smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)no1 ZINC001038444454 805712056 /nfs/dbraw/zinc/71/20/56/805712056.db2.gz CQVRRDGAOICHII-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)no1 ZINC001038444454 805712067 /nfs/dbraw/zinc/71/20/67/805712067.db2.gz CQVRRDGAOICHII-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO Cc1cncc(C[N@@H+]2CCc3cc(C#N)ccc3C2)n1 ZINC001203163247 805842892 /nfs/dbraw/zinc/84/28/92/805842892.db2.gz BHAIVVVVZGFBTQ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1cncc(C[N@H+]2CCc3cc(C#N)ccc3C2)n1 ZINC001203163247 805842901 /nfs/dbraw/zinc/84/29/01/805842901.db2.gz BHAIVVVVZGFBTQ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO C[C@H]1C[C@H]([N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001168107910 806181046 /nfs/dbraw/zinc/18/10/46/806181046.db2.gz ZOPGIGJEDPFYFI-DZGCQCFKSA-N 1 2 259.353 2.365 20 30 CEEDLO C[C@H]1C[C@H]([N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001168107910 806181051 /nfs/dbraw/zinc/18/10/51/806181051.db2.gz ZOPGIGJEDPFYFI-DZGCQCFKSA-N 1 2 259.353 2.365 20 30 CEEDLO C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)c1nccs1 ZINC001126735096 806467779 /nfs/dbraw/zinc/46/77/79/806467779.db2.gz XRKNIGMCZSJMBE-UHFFFAOYSA-N 1 2 296.355 2.379 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001042736234 806668556 /nfs/dbraw/zinc/66/85/56/806668556.db2.gz XOKNOIVZECMGJQ-OAHLLOKOSA-N 1 2 294.439 2.300 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038515790 806932932 /nfs/dbraw/zinc/93/29/32/806932932.db2.gz PNFSRBYYKHIONX-CQSZACIVSA-N 1 2 276.767 2.086 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038515790 806932938 /nfs/dbraw/zinc/93/29/38/806932938.db2.gz PNFSRBYYKHIONX-CQSZACIVSA-N 1 2 276.767 2.086 20 30 CEEDLO C/C=C(\C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001266266103 802334608 /nfs/dbraw/zinc/33/46/08/802334608.db2.gz UVZMYHXJLAZWGH-UUILKARUSA-N 1 2 289.354 2.212 20 30 CEEDLO C/C=C(\C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001266266103 802334614 /nfs/dbraw/zinc/33/46/14/802334614.db2.gz UVZMYHXJLAZWGH-UUILKARUSA-N 1 2 289.354 2.212 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001266333372 802451591 /nfs/dbraw/zinc/45/15/91/802451591.db2.gz LSVCHYNDKCFGKH-GFCCVEGCSA-N 1 2 293.436 2.354 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001266333372 802451593 /nfs/dbraw/zinc/45/15/93/802451593.db2.gz LSVCHYNDKCFGKH-GFCCVEGCSA-N 1 2 293.436 2.354 20 30 CEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)C1CC1 ZINC001266362741 802490240 /nfs/dbraw/zinc/49/02/40/802490240.db2.gz SHWUGXNDYCVNHC-SNVBAGLBSA-N 1 2 258.793 2.223 20 30 CEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)C1CC1 ZINC001266362741 802490243 /nfs/dbraw/zinc/49/02/43/802490243.db2.gz SHWUGXNDYCVNHC-SNVBAGLBSA-N 1 2 258.793 2.223 20 30 CEEDLO CSc1nccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001140037908 802502103 /nfs/dbraw/zinc/50/21/03/802502103.db2.gz HQBHTSHXXYTLNQ-NSHDSACASA-N 1 2 262.382 2.324 20 30 CEEDLO CSc1nccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001140037908 802502108 /nfs/dbraw/zinc/50/21/08/802502108.db2.gz HQBHTSHXXYTLNQ-NSHDSACASA-N 1 2 262.382 2.324 20 30 CEEDLO COC1(C)C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140111033 802607104 /nfs/dbraw/zinc/60/71/04/802607104.db2.gz XFPZMSIKCJITLF-UHFFFAOYSA-N 1 2 255.321 2.260 20 30 CEEDLO C=CCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001266925825 803001144 /nfs/dbraw/zinc/00/11/44/803001144.db2.gz TURZDSWFGWKXPM-MNOVXSKESA-N 1 2 292.383 2.069 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC001140544439 803099599 /nfs/dbraw/zinc/09/95/99/803099599.db2.gz PAWULGBAZOYXSY-OAHLLOKOSA-N 1 2 265.320 2.080 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC001140544439 803099601 /nfs/dbraw/zinc/09/96/01/803099601.db2.gz PAWULGBAZOYXSY-OAHLLOKOSA-N 1 2 265.320 2.080 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cn1 ZINC001140545379 803103125 /nfs/dbraw/zinc/10/31/25/803103125.db2.gz BVKJWMPJIFKACI-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cn1 ZINC001140545379 803103132 /nfs/dbraw/zinc/10/31/32/803103132.db2.gz BVKJWMPJIFKACI-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198167 803222510 /nfs/dbraw/zinc/22/25/10/803222510.db2.gz GQUPNYGDBBZHPA-NXEZZACHSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001267198167 803222517 /nfs/dbraw/zinc/22/25/17/803222517.db2.gz GQUPNYGDBBZHPA-NXEZZACHSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001267198167 803222519 /nfs/dbraw/zinc/22/25/19/803222519.db2.gz GQUPNYGDBBZHPA-NXEZZACHSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198167 803222503 /nfs/dbraw/zinc/22/25/03/803222503.db2.gz GQUPNYGDBBZHPA-NXEZZACHSA-N 1 2 284.297 2.290 20 30 CEEDLO COC(=O)c1[nH+]ccc(NCc2ccccc2C#N)c1C ZINC001167633580 803223692 /nfs/dbraw/zinc/22/36/92/803223692.db2.gz LUDOGPZCYBPYGT-UHFFFAOYSA-N 1 2 281.315 2.082 20 30 CEEDLO C=CCCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098222613 803259630 /nfs/dbraw/zinc/25/96/30/803259630.db2.gz LSDQCTMERGUCNO-NSHDSACASA-N 1 2 262.357 2.058 20 30 CEEDLO C=C(C)C(=O)NCCCNc1c[nH+]c2c(c1)CCC2 ZINC001167669758 803317080 /nfs/dbraw/zinc/31/70/80/803317080.db2.gz OEOUOOJZYQOPKE-UHFFFAOYSA-N 1 2 259.353 2.065 20 30 CEEDLO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267531456 803531251 /nfs/dbraw/zinc/53/12/51/803531251.db2.gz SAESADLCIWPTMK-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267531456 803531258 /nfs/dbraw/zinc/53/12/58/803531258.db2.gz SAESADLCIWPTMK-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267531456 803531262 /nfs/dbraw/zinc/53/12/62/803531262.db2.gz SAESADLCIWPTMK-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267531456 803531264 /nfs/dbraw/zinc/53/12/64/803531264.db2.gz SAESADLCIWPTMK-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(F)=C(C)C)CC2)C1 ZINC001093524994 814948944 /nfs/dbraw/zinc/94/89/44/814948944.db2.gz WFDHOFWLNIPLKS-UHFFFAOYSA-N 1 2 296.386 2.128 20 30 CEEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cocn1)C2 ZINC001141130049 803733768 /nfs/dbraw/zinc/73/37/68/803733768.db2.gz SYSNRCDIJLUEFE-GJZGRUSLSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cocn1)C2 ZINC001141130049 803733771 /nfs/dbraw/zinc/73/37/71/803733771.db2.gz SYSNRCDIJLUEFE-GJZGRUSLSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H](CC)[NH2+][C@@H](C)c1nc(C)no1 ZINC001267813592 803751115 /nfs/dbraw/zinc/75/11/15/803751115.db2.gz AELWPSHGDVVDLW-JQWIXIFHSA-N 1 2 294.399 2.136 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC001093552373 814961979 /nfs/dbraw/zinc/96/19/79/814961979.db2.gz QXPCGAKSOAZDGC-UHFFFAOYSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC001267913891 803817044 /nfs/dbraw/zinc/81/70/44/803817044.db2.gz FDJYUWXAOIOHGT-CYBMUJFWSA-N 1 2 293.436 2.498 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC001267913891 803817049 /nfs/dbraw/zinc/81/70/49/803817049.db2.gz FDJYUWXAOIOHGT-CYBMUJFWSA-N 1 2 293.436 2.498 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccn1 ZINC001027709427 804208313 /nfs/dbraw/zinc/20/83/13/804208313.db2.gz RHFGJGINAOGUDF-LBPRGKRZSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccn1 ZINC001027709427 804208322 /nfs/dbraw/zinc/20/83/22/804208322.db2.gz RHFGJGINAOGUDF-LBPRGKRZSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccsn1 ZINC001027961344 804365078 /nfs/dbraw/zinc/36/50/78/804365078.db2.gz RKDXBTADHKRWBK-SNVBAGLBSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccsn1 ZINC001027961344 804365086 /nfs/dbraw/zinc/36/50/86/804365086.db2.gz RKDXBTADHKRWBK-SNVBAGLBSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnoc1CC ZINC001028175644 804514478 /nfs/dbraw/zinc/51/44/78/804514478.db2.gz NASOOQSDZRDRKR-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnoc1CC ZINC001028175644 804514481 /nfs/dbraw/zinc/51/44/81/804514481.db2.gz NASOOQSDZRDRKR-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO CCCCCCC[NH+]1CC(NC(=O)C(=O)C(C)(C)C)C1 ZINC001268263561 804583605 /nfs/dbraw/zinc/58/36/05/804583605.db2.gz CPQWWFPTZAVSDR-UHFFFAOYSA-N 1 2 282.428 2.372 20 30 CEEDLO C=CC(C)(C)CC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001268310846 804606104 /nfs/dbraw/zinc/60/61/04/804606104.db2.gz MUPGCQJFHWCKRK-AWEZNQCLSA-N 1 2 294.439 2.204 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001268455631 804700173 /nfs/dbraw/zinc/70/01/73/804700173.db2.gz OTMUHIUBCVRETR-CQSZACIVSA-N 1 2 276.424 2.417 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001268470835 804716625 /nfs/dbraw/zinc/71/66/25/804716625.db2.gz VFFHLQNDTIBJPC-UHFFFAOYSA-N 1 2 284.403 2.060 20 30 CEEDLO C=C1O[C@@H](CC)C(=O)C1Oc1cccnc1C[NH+](C)C ZINC001225279055 804843842 /nfs/dbraw/zinc/84/38/42/804843842.db2.gz UCBBRWSJLLJACL-LBPRGKRZSA-N 1 2 276.336 2.131 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1=CCCC1 ZINC001268727199 804944855 /nfs/dbraw/zinc/94/48/55/804944855.db2.gz JWGGXTITORMREW-LLVKDONJSA-N 1 2 256.777 2.286 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1=CCCC1 ZINC001268727199 804944858 /nfs/dbraw/zinc/94/48/58/804944858.db2.gz JWGGXTITORMREW-LLVKDONJSA-N 1 2 256.777 2.286 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001270665259 805513320 /nfs/dbraw/zinc/51/33/20/805513320.db2.gz KPQKNNDOLJHDSE-HOTGVXAUSA-N 1 2 292.423 2.126 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001270665259 805513326 /nfs/dbraw/zinc/51/33/26/805513326.db2.gz KPQKNNDOLJHDSE-HOTGVXAUSA-N 1 2 292.423 2.126 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3ncccc3c2)C1 ZINC001030890281 807461272 /nfs/dbraw/zinc/46/12/72/807461272.db2.gz ZBSIAHUFTUMJHE-UHFFFAOYSA-N 1 2 281.359 2.225 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001031065914 807628186 /nfs/dbraw/zinc/62/81/86/807628186.db2.gz PEOADKQBCFXYHF-LLVKDONJSA-N 1 2 277.368 2.178 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001031106947 807655590 /nfs/dbraw/zinc/65/55/90/807655590.db2.gz WKPMSNLSFKFENP-UHFFFAOYSA-N 1 2 290.382 2.480 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001031324130 807910778 /nfs/dbraw/zinc/91/07/78/807910778.db2.gz JKHQSZAYXUQAJH-MRXNPFEDSA-N 1 2 286.375 2.025 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccccc1)C(C)C ZINC000917070494 807930750 /nfs/dbraw/zinc/93/07/50/807930750.db2.gz CJOHDHYSOVJUDA-UHFFFAOYSA-N 1 2 267.394 2.357 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)c1ccccc1)C(C)C ZINC000917070494 807930757 /nfs/dbraw/zinc/93/07/57/807930757.db2.gz CJOHDHYSOVJUDA-UHFFFAOYSA-N 1 2 267.394 2.357 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001031436681 807955479 /nfs/dbraw/zinc/95/54/79/807955479.db2.gz MLMJGONQMCWUJF-AWEZNQCLSA-N 1 2 275.396 2.042 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001031451151 807962809 /nfs/dbraw/zinc/96/28/09/807962809.db2.gz AGSAOFVEVUHKIQ-UHFFFAOYSA-N 1 2 296.414 2.485 20 30 CEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094713357 815165509 /nfs/dbraw/zinc/16/55/09/815165509.db2.gz ZXOZKQOZBAWYSW-NWDGAFQWSA-N 1 2 276.384 2.161 20 30 CEEDLO C=CCCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094740644 815170438 /nfs/dbraw/zinc/17/04/38/815170438.db2.gz HPDKYXNZJGBBIT-UHFFFAOYSA-N 1 2 262.357 2.060 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(C)cc2)C1 ZINC001032145901 808308660 /nfs/dbraw/zinc/30/86/60/808308660.db2.gz STPKDNFEEQQXBR-UHFFFAOYSA-N 1 2 278.783 2.409 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)ccc1Cl 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OGCODBXNHHUZHP-GFCCVEGCSA-N 1 2 261.369 2.329 20 30 CEEDLO C#CCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000276353245 193297004 /nfs/dbraw/zinc/29/70/04/193297004.db2.gz XATPXNNWMNTWBL-AWEZNQCLSA-N 1 2 273.380 2.362 20 30 CEEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000190099522 369595004 /nfs/dbraw/zinc/59/50/04/369595004.db2.gz QVNAJNNNJHBOIX-HUUCEWRRSA-N 1 2 298.346 2.212 20 30 CEEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000190099522 369595008 /nfs/dbraw/zinc/59/50/08/369595008.db2.gz QVNAJNNNJHBOIX-HUUCEWRRSA-N 1 2 298.346 2.212 20 30 CEEDLO C=CCCn1cc(-c2nc(Cc3ccc[nH+]c3C)no2)nn1 ZINC000351317862 369633999 /nfs/dbraw/zinc/63/39/99/369633999.db2.gz XPLPBORNUHLIHX-UHFFFAOYSA-N 1 2 296.334 2.198 20 30 CEEDLO C#CCC1(C(=O)NC2=[NH+]CCS2)CCCCC1 ZINC000276474918 193346883 /nfs/dbraw/zinc/34/68/83/193346883.db2.gz QZGVCMUUTUEGHE-UHFFFAOYSA-N 1 2 250.367 2.179 20 30 CEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000191244557 369693957 /nfs/dbraw/zinc/69/39/57/369693957.db2.gz JMIJLZABRHGLQS-UHFFFAOYSA-N 1 2 299.418 2.472 20 30 CEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352466154 369743327 /nfs/dbraw/zinc/74/33/27/369743327.db2.gz ARNCEJMGCANRNQ-OAHLLOKOSA-N 1 2 299.378 2.182 20 30 CEEDLO N#Cc1cc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c[nH]1 ZINC000352688370 369837772 /nfs/dbraw/zinc/83/77/72/369837772.db2.gz XHLIREATNDOLJU-UHFFFAOYSA-N 1 2 291.314 2.206 20 30 CEEDLO C#CCCCC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000192125060 369774728 /nfs/dbraw/zinc/77/47/28/369774728.db2.gz CEAKATWCXFMMCH-AWEZNQCLSA-N 1 2 294.345 2.487 20 30 CEEDLO C=CCCS(=O)(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000192244699 369784222 /nfs/dbraw/zinc/78/42/22/369784222.db2.gz BNUVDSWXWQQIGY-UHFFFAOYSA-N 1 2 299.440 2.063 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000193032527 369884995 /nfs/dbraw/zinc/88/49/95/369884995.db2.gz GAYXPJHYTLIRGL-TUAOUCFPSA-N 1 2 252.358 2.389 20 30 CEEDLO COCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccco1 ZINC000352838168 369904832 /nfs/dbraw/zinc/90/48/32/369904832.db2.gz QQYVVLPDHGGTHY-LLVKDONJSA-N 1 2 277.349 2.475 20 30 CEEDLO N#Cc1cn(CCCn2cc[nH+]c2)c2ccccc2c1=O ZINC000193489951 369946886 /nfs/dbraw/zinc/94/68/86/369946886.db2.gz UEEJODPXTQZSKA-UHFFFAOYSA-N 1 2 278.315 2.160 20 30 CEEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000353834670 370126592 /nfs/dbraw/zinc/12/65/92/370126592.db2.gz GZPCBRLNCHTDBV-UHFFFAOYSA-N 1 2 299.418 2.472 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683741658 541851139 /nfs/dbraw/zinc/85/11/39/541851139.db2.gz YQBSQWJNKDJTTF-TZMCWYRMSA-N 1 2 271.320 2.254 20 30 CEEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000248634187 371227498 /nfs/dbraw/zinc/22/74/98/371227498.db2.gz SPGFEDAIPKDACR-HUUCEWRRSA-N 1 2 291.395 2.484 20 30 CEEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000248634187 371227500 /nfs/dbraw/zinc/22/75/00/371227500.db2.gz SPGFEDAIPKDACR-HUUCEWRRSA-N 1 2 291.395 2.484 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000358765889 371210709 /nfs/dbraw/zinc/21/07/09/371210709.db2.gz MCCYXFWKNJCXGZ-ZBFHGGJFSA-N 1 2 299.374 2.240 20 30 CEEDLO Cc1nnc([C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)[nH]1 ZINC000249260193 371307275 /nfs/dbraw/zinc/30/72/75/371307275.db2.gz HQDZNNUPXKBKEI-ABAIWWIYSA-N 1 2 297.362 2.119 20 30 CEEDLO Cc1nnc([C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)[nH]1 ZINC000249260193 371307277 /nfs/dbraw/zinc/30/72/77/371307277.db2.gz HQDZNNUPXKBKEI-ABAIWWIYSA-N 1 2 297.362 2.119 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249946670 371371399 /nfs/dbraw/zinc/37/13/99/371371399.db2.gz ZNMNWZIRUXOLHV-OLZOCXBDSA-N 1 2 253.390 2.163 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249946670 371371405 /nfs/dbraw/zinc/37/14/05/371371405.db2.gz ZNMNWZIRUXOLHV-OLZOCXBDSA-N 1 2 253.390 2.163 20 30 CEEDLO C=CCOc1cccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000639587409 371425425 /nfs/dbraw/zinc/42/54/25/371425425.db2.gz UZBGFVYRJOWFDW-CYBMUJFWSA-N 1 2 298.346 2.194 20 30 CEEDLO C=CC[N@H+](Cc1nc(C2CCC2)no1)[C@H](C)COC ZINC000639784687 371567961 /nfs/dbraw/zinc/56/79/61/371567961.db2.gz MABXNMADVUTKNJ-LLVKDONJSA-N 1 2 265.357 2.360 20 30 CEEDLO C=CC[N@@H+](Cc1nc(C2CCC2)no1)[C@H](C)COC ZINC000639784687 371567965 /nfs/dbraw/zinc/56/79/65/371567965.db2.gz MABXNMADVUTKNJ-LLVKDONJSA-N 1 2 265.357 2.360 20 30 CEEDLO C=C(CC)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640110212 371820348 /nfs/dbraw/zinc/82/03/48/371820348.db2.gz CVPWBDLSSZYHHT-UHFFFAOYSA-N 1 2 260.381 2.476 20 30 CEEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000361467110 371860938 /nfs/dbraw/zinc/86/09/38/371860938.db2.gz WZSPDEDTVMNNJJ-CYBMUJFWSA-N 1 2 261.373 2.375 20 30 CEEDLO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCCC#N ZINC000361467110 371860942 /nfs/dbraw/zinc/86/09/42/371860942.db2.gz WZSPDEDTVMNNJJ-CYBMUJFWSA-N 1 2 261.373 2.375 20 30 CEEDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000263650223 371944141 /nfs/dbraw/zinc/94/41/41/371944141.db2.gz BRFINSKFHJLZNZ-HUUCEWRRSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000263650223 371944146 /nfs/dbraw/zinc/94/41/46/371944146.db2.gz BRFINSKFHJLZNZ-HUUCEWRRSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000263650224 371944317 /nfs/dbraw/zinc/94/43/17/371944317.db2.gz BRFINSKFHJLZNZ-LSDHHAIUSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000263650224 371944322 /nfs/dbraw/zinc/94/43/22/371944322.db2.gz BRFINSKFHJLZNZ-LSDHHAIUSA-N 1 2 276.380 2.135 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC#Cc1ccccc1 ZINC000361749763 372052663 /nfs/dbraw/zinc/05/26/63/372052663.db2.gz FLJWPWKQWKFYRX-GOEBONIOSA-N 1 2 271.360 2.312 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC#Cc1ccccc1 ZINC000361749763 372052664 /nfs/dbraw/zinc/05/26/64/372052664.db2.gz FLJWPWKQWKFYRX-GOEBONIOSA-N 1 2 271.360 2.312 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nccn2CC(F)(F)F)o1 ZINC000344212778 217100229 /nfs/dbraw/zinc/10/02/29/217100229.db2.gz NTDJVWUOUVCFIB-UHFFFAOYSA-N 1 2 284.241 2.200 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(OC(C)C)c2)nn1 ZINC000640957022 372197213 /nfs/dbraw/zinc/19/72/13/372197213.db2.gz ZUGFJDFZCCSHLG-UHFFFAOYSA-N 1 2 298.390 2.227 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C(F)F)c2)nn1 ZINC000641161238 372357349 /nfs/dbraw/zinc/35/73/49/372357349.db2.gz DTNGOUCBGHSRRS-UHFFFAOYSA-N 1 2 290.317 2.377 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000269269952 372401926 /nfs/dbraw/zinc/40/19/26/372401926.db2.gz IUTRWURMTBQOGP-UHFFFAOYSA-N 1 2 298.427 2.075 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(=O)OCC)C(C)(C)C ZINC000269269952 372401929 /nfs/dbraw/zinc/40/19/29/372401929.db2.gz IUTRWURMTBQOGP-UHFFFAOYSA-N 1 2 298.427 2.075 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)o1 ZINC000344349279 217162338 /nfs/dbraw/zinc/16/23/38/217162338.db2.gz WEGWIKVIMFJVHJ-CYBMUJFWSA-N 1 2 278.258 2.253 20 30 CEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](C)Cn1cc[nH+]c1)OCC ZINC000270168802 372685936 /nfs/dbraw/zinc/68/59/36/372685936.db2.gz KWTYLWNPXLJZOQ-ZIAGYGMSSA-N 1 2 279.384 2.007 20 30 CEEDLO CN(C)c1ccc(NCc2ccc(C#N)cc2F)[nH+]c1 ZINC000344968524 217370666 /nfs/dbraw/zinc/37/06/66/217370666.db2.gz SLLPEWROXLTWCC-UHFFFAOYSA-N 1 2 270.311 2.192 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000371457403 373889586 /nfs/dbraw/zinc/88/95/86/373889586.db2.gz IFPFJDALIQYFDE-QWHCGFSZSA-N 1 2 277.368 2.065 20 30 CEEDLO CC#CCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274529251 373952258 /nfs/dbraw/zinc/95/22/58/373952258.db2.gz YCEIVZZZJAMNQT-ZDUSSCGKSA-N 1 2 259.353 2.309 20 30 CEEDLO C#CCCCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371961247 374011254 /nfs/dbraw/zinc/01/12/54/374011254.db2.gz WVEJRRYQFFGQAK-UHFFFAOYSA-N 1 2 274.368 2.102 20 30 CEEDLO C#CCCCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371961247 374011265 /nfs/dbraw/zinc/01/12/65/374011265.db2.gz WVEJRRYQFFGQAK-UHFFFAOYSA-N 1 2 274.368 2.102 20 30 CEEDLO C=CCCCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000274587459 373974272 /nfs/dbraw/zinc/97/42/72/373974272.db2.gz OSBNQXSHJVQBLF-UHFFFAOYSA-N 1 2 291.395 2.463 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277186560 374431505 /nfs/dbraw/zinc/43/15/05/374431505.db2.gz LRGGQQZIFNXLQB-QUJCMNEKSA-N 1 2 276.405 2.462 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277186560 374431509 /nfs/dbraw/zinc/43/15/09/374431509.db2.gz LRGGQQZIFNXLQB-QUJCMNEKSA-N 1 2 276.405 2.462 20 30 CEEDLO Cn1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000334156703 206119855 /nfs/dbraw/zinc/11/98/55/206119855.db2.gz ZGJQFZSUXCSMLS-KRWDZBQOSA-N 1 2 281.359 2.470 20 30 CEEDLO Cn1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000334156703 206119856 /nfs/dbraw/zinc/11/98/56/206119856.db2.gz ZGJQFZSUXCSMLS-KRWDZBQOSA-N 1 2 281.359 2.470 20 30 CEEDLO C=C(C)C[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277406047 374507827 /nfs/dbraw/zinc/50/78/27/374507827.db2.gz 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/nfs/dbraw/zinc/13/93/13/375139313.db2.gz BKOCGGHXPSKAHK-MLGOLLRUSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2c(F)cccc2F)C1=O ZINC000280951907 375346728 /nfs/dbraw/zinc/34/67/28/375346728.db2.gz GJKDTSYEWHWIGQ-GXFFZTMASA-N 1 2 280.318 2.402 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1csnn1 ZINC000398954577 375354732 /nfs/dbraw/zinc/35/47/32/375354732.db2.gz GSHRDUJABUIVNA-SNVBAGLBSA-N 1 2 258.350 2.455 20 30 CEEDLO Cc1nsc(NCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000287658689 376288368 /nfs/dbraw/zinc/28/83/68/376288368.db2.gz CKGUZIGIHNKXEK-UHFFFAOYSA-N 1 2 273.365 2.468 20 30 CEEDLO C=CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)s1 ZINC000263772776 190078158 /nfs/dbraw/zinc/07/81/58/190078158.db2.gz MLBKBCQNMXAMSU-UHFFFAOYSA-N 1 2 258.774 2.136 20 30 CEEDLO C=CC[N@H+](CC(=O)NC)Cc1ccc(Cl)s1 ZINC000263772776 190078159 /nfs/dbraw/zinc/07/81/59/190078159.db2.gz MLBKBCQNMXAMSU-UHFFFAOYSA-N 1 2 258.774 2.136 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000334297379 206327163 /nfs/dbraw/zinc/32/71/63/206327163.db2.gz CVUIAAGZDAGDDO-GFCCVEGCSA-N 1 2 298.321 2.061 20 30 CEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000264480247 190112817 /nfs/dbraw/zinc/11/28/17/190112817.db2.gz PZLLHKVOICBSRB-GFCCVEGCSA-N 1 2 288.347 2.394 20 30 CEEDLO Cc1csc(C[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000560604346 376768927 /nfs/dbraw/zinc/76/89/27/376768927.db2.gz LIZVZPGBSDDCOX-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C[NH+](C)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccsc1 ZINC000561516886 376816881 /nfs/dbraw/zinc/81/68/81/376816881.db2.gz VIXNMBCXWBTMBZ-OCCSQVGLSA-N 1 2 276.409 2.384 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000328873654 376914409 /nfs/dbraw/zinc/91/44/09/376914409.db2.gz YXKXUNPVLIHXBE-GFCCVEGCSA-N 1 2 277.368 2.411 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H]2CCc3nncn3C2)c(C)[nH+]1 ZINC000328908736 376920180 /nfs/dbraw/zinc/92/01/80/376920180.db2.gz MHZXDJXIJKFXBW-LLVKDONJSA-N 1 2 271.324 2.141 20 30 CEEDLO 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C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)s2)C1=O ZINC000545286015 380376785 /nfs/dbraw/zinc/37/67/85/380376785.db2.gz QUKDPSJRKHYZKO-CYBMUJFWSA-N 1 2 291.420 2.239 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C1=O ZINC000545286015 380376794 /nfs/dbraw/zinc/37/67/94/380376794.db2.gz QUKDPSJRKHYZKO-CYBMUJFWSA-N 1 2 291.420 2.239 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000334515892 380517403 /nfs/dbraw/zinc/51/74/03/380517403.db2.gz SLIVPDQROLDCJW-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000334515892 380517409 /nfs/dbraw/zinc/51/74/09/380517409.db2.gz SLIVPDQROLDCJW-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000334527532 380537169 /nfs/dbraw/zinc/53/71/69/380537169.db2.gz XIYWVTWTKXOEMK-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000334527532 380537174 /nfs/dbraw/zinc/53/71/74/380537174.db2.gz 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/nfs/dbraw/zinc/20/69/02/381206902.db2.gz PJTVXUTUCCNYJG-HNNXBMFYSA-N 1 2 284.375 2.291 20 30 CEEDLO C#CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000496284574 381206909 /nfs/dbraw/zinc/20/69/09/381206909.db2.gz PJTVXUTUCCNYJG-HNNXBMFYSA-N 1 2 284.375 2.291 20 30 CEEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000192770460 542352075 /nfs/dbraw/zinc/35/20/75/542352075.db2.gz BHJULXMNENTCRJ-UHFFFAOYSA-N 1 2 271.357 2.107 20 30 CEEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000192770460 542352079 /nfs/dbraw/zinc/35/20/79/542352079.db2.gz BHJULXMNENTCRJ-UHFFFAOYSA-N 1 2 271.357 2.107 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)o1 ZINC000353752391 220305121 /nfs/dbraw/zinc/30/51/21/220305121.db2.gz LCTXTXPXZNLYJX-NEPJUHHUSA-N 1 2 288.269 2.429 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)o1 ZINC000353752391 220305124 /nfs/dbraw/zinc/30/51/24/220305124.db2.gz LCTXTXPXZNLYJX-NEPJUHHUSA-N 1 2 288.269 2.429 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCC(C#N)CC1 ZINC000574821336 335050419 /nfs/dbraw/zinc/05/04/19/335050419.db2.gz DSKWZNCVDCWCNS-PNESKVBLSA-N 1 2 274.368 2.034 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCC(C#N)CC1 ZINC000574821336 335050420 /nfs/dbraw/zinc/05/04/20/335050420.db2.gz DSKWZNCVDCWCNS-PNESKVBLSA-N 1 2 274.368 2.034 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CCCOC1 ZINC000336803344 262395904 /nfs/dbraw/zinc/39/59/04/262395904.db2.gz YBWOBEVZLLKPME-AWEZNQCLSA-N 1 2 259.353 2.224 20 30 CEEDLO C=C[C@H](C)Nc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000301601607 394462658 /nfs/dbraw/zinc/46/26/58/394462658.db2.gz JKLBWSGZECZHBM-QMMMGPOBSA-N 1 2 274.324 2.216 20 30 CEEDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c(C#N)cc1[N+](=O)[O-] ZINC000413045525 394473055 /nfs/dbraw/zinc/47/30/55/394473055.db2.gz YGCIREBXPZCFAW-UHFFFAOYSA-N 1 2 285.307 2.145 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000026329582 394478211 /nfs/dbraw/zinc/47/82/11/394478211.db2.gz XVIKSDDLOIKKST-INIZCTEOSA-N 1 2 297.333 2.356 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000026329582 394478218 /nfs/dbraw/zinc/47/82/18/394478218.db2.gz XVIKSDDLOIKKST-INIZCTEOSA-N 1 2 297.333 2.356 20 30 CEEDLO Cc1ccc(C[N@H+](CCO)Cc2ccccc2C#N)o1 ZINC000355652168 394488715 /nfs/dbraw/zinc/48/87/15/394488715.db2.gz DFCGSTFYZBBVCY-UHFFFAOYSA-N 1 2 270.332 2.454 20 30 CEEDLO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2C#N)o1 ZINC000355652168 394488719 /nfs/dbraw/zinc/48/87/19/394488719.db2.gz DFCGSTFYZBBVCY-UHFFFAOYSA-N 1 2 270.332 2.454 20 30 CEEDLO N#Cc1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000413206170 394503992 /nfs/dbraw/zinc/50/39/92/394503992.db2.gz ZCYWYPMAZHIEPD-CYBMUJFWSA-N 1 2 284.294 2.145 20 30 CEEDLO C[N@H+](CC#Cc1ccc(F)cc1)C[C@@H](O)C(F)(F)F ZINC000305784196 394512058 /nfs/dbraw/zinc/51/20/58/394512058.db2.gz WRLCXOLGOFFRJW-GFCCVEGCSA-N 1 2 275.245 2.032 20 30 CEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H](O)C(F)(F)F ZINC000305784196 394512060 /nfs/dbraw/zinc/51/20/60/394512060.db2.gz WRLCXOLGOFFRJW-GFCCVEGCSA-N 1 2 275.245 2.032 20 30 CEEDLO C[C@H]1N(C(=O)Nc2ccn3cc[nH+]c3c2)CCOC1(C)C ZINC000329528252 394570050 /nfs/dbraw/zinc/57/00/50/394570050.db2.gz SMYHJLJXUCZYPC-LLVKDONJSA-N 1 2 288.351 2.379 20 30 CEEDLO [O-]C(NC[C@@H]1CCC(F)(F)C1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329539945 394570657 /nfs/dbraw/zinc/57/06/57/394570657.db2.gz CRRRVFACRUWRSS-NXEZZACHSA-N 1 2 298.337 2.206 20 30 CEEDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCOC2(CCC2)C1 ZINC000329560661 394572957 /nfs/dbraw/zinc/57/29/57/394572957.db2.gz RIHZIMRFLPISHE-NSHDSACASA-N 1 2 263.341 2.401 20 30 CEEDLO O=C(NCC[C@@H]1CCOC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329764133 394583761 /nfs/dbraw/zinc/58/37/61/394583761.db2.gz VKASMWOKSHWHGK-OLZOCXBDSA-N 1 2 292.383 2.277 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413316581 394524462 /nfs/dbraw/zinc/52/44/62/394524462.db2.gz PVSAWTOLEAGHEH-CHWSQXEVSA-N 1 2 290.411 2.308 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413316581 394524463 /nfs/dbraw/zinc/52/44/63/394524463.db2.gz PVSAWTOLEAGHEH-CHWSQXEVSA-N 1 2 290.411 2.308 20 30 CEEDLO CC(C)[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330183757 394599596 /nfs/dbraw/zinc/59/95/96/394599596.db2.gz ICQVECOYXDKQHN-OLZOCXBDSA-N 1 2 276.384 2.232 20 30 CEEDLO CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330183757 394599599 /nfs/dbraw/zinc/59/95/99/394599599.db2.gz ICQVECOYXDKQHN-OLZOCXBDSA-N 1 2 276.384 2.232 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(Cl)c1 ZINC000112336142 394743740 /nfs/dbraw/zinc/74/37/40/394743740.db2.gz LAZLZNBKUBWIKW-UHFFFAOYSA-N 1 2 283.759 2.044 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)N1CCc2ccccc21 ZINC000103469506 394716313 /nfs/dbraw/zinc/71/63/13/394716313.db2.gz SMQNONVRHZJOPC-UHFFFAOYSA-N 1 2 271.364 2.201 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)N1CCc2ccccc21 ZINC000103469506 394716315 /nfs/dbraw/zinc/71/63/15/394716315.db2.gz SMQNONVRHZJOPC-UHFFFAOYSA-N 1 2 271.364 2.201 20 30 CEEDLO N#CCCCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000359894021 394780080 /nfs/dbraw/zinc/78/00/80/394780080.db2.gz DLQBNVAYUILREY-UHFFFAOYSA-N 1 2 276.727 2.298 20 30 CEEDLO N#CCCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359942133 394781695 /nfs/dbraw/zinc/78/16/95/394781695.db2.gz VFLRUIYHPMFYHO-UHFFFAOYSA-N 1 2 287.363 2.151 20 30 CEEDLO C=C(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000360222208 394794093 /nfs/dbraw/zinc/79/40/93/394794093.db2.gz QKVGJVTWZCZKLQ-OAHLLOKOSA-N 1 2 281.359 2.275 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CCCS(=O)(=O)C(C)C ZINC000121527803 394800095 /nfs/dbraw/zinc/80/00/95/394800095.db2.gz HITDEVFLWKQASK-UHFFFAOYSA-N 1 2 288.457 2.461 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CCCS(=O)(=O)C(C)C ZINC000121527803 394800098 /nfs/dbraw/zinc/80/00/98/394800098.db2.gz HITDEVFLWKQASK-UHFFFAOYSA-N 1 2 288.457 2.461 20 30 CEEDLO C=C(Br)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000360701181 394805724 /nfs/dbraw/zinc/80/57/24/394805724.db2.gz WBIUPFIXOUBHAX-UHFFFAOYSA-N 1 2 270.174 2.498 20 30 CEEDLO N#CCc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000335933149 394813242 /nfs/dbraw/zinc/81/32/42/394813242.db2.gz FULYGJODRVIQAK-UHFFFAOYSA-N 1 2 294.358 2.496 20 30 CEEDLO N#CCc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000335933149 394813244 /nfs/dbraw/zinc/81/32/44/394813244.db2.gz FULYGJODRVIQAK-UHFFFAOYSA-N 1 2 294.358 2.496 20 30 CEEDLO C=CCOC[C@H]([NH2+]C1CCCCCC1)C(=O)OC ZINC000361112007 394816661 /nfs/dbraw/zinc/81/66/61/394816661.db2.gz WEDBQTOOPWOFSL-ZDUSSCGKSA-N 1 2 255.358 2.043 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000361111000 394817178 /nfs/dbraw/zinc/81/71/78/394817178.db2.gz IOINDWZEXALGCJ-PMPSAXMXSA-N 1 2 289.375 2.124 20 30 CEEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000361193208 394818690 /nfs/dbraw/zinc/81/86/90/394818690.db2.gz BATBDTOZGZOXSE-CYBMUJFWSA-N 1 2 290.363 2.362 20 30 CEEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000361193208 394818691 /nfs/dbraw/zinc/81/86/91/394818691.db2.gz BATBDTOZGZOXSE-CYBMUJFWSA-N 1 2 290.363 2.362 20 30 CEEDLO CC[N@@H+](Cc1cc(C(=O)OC)c(C)n1C)C[C@@H](C)C#N ZINC000361177461 394818754 /nfs/dbraw/zinc/81/87/54/394818754.db2.gz IMIDWVYWNIXNQT-NSHDSACASA-N 1 2 277.368 2.102 20 30 CEEDLO CC[N@H+](Cc1cc(C(=O)OC)c(C)n1C)C[C@@H](C)C#N ZINC000361177461 394818758 /nfs/dbraw/zinc/81/87/58/394818758.db2.gz IMIDWVYWNIXNQT-NSHDSACASA-N 1 2 277.368 2.102 20 30 CEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000336026091 394819819 /nfs/dbraw/zinc/81/98/19/394819819.db2.gz RAWOOFOSAPMHAB-KRWDZBQOSA-N 1 2 282.387 2.059 20 30 CEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000336026091 394819821 /nfs/dbraw/zinc/81/98/21/394819821.db2.gz RAWOOFOSAPMHAB-KRWDZBQOSA-N 1 2 282.387 2.059 20 30 CEEDLO C=CC[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000361928834 394838572 /nfs/dbraw/zinc/83/85/72/394838572.db2.gz XLRGVWOJRTYUHM-UHFFFAOYSA-N 1 2 250.317 2.142 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363813545 394886739 /nfs/dbraw/zinc/88/67/39/394886739.db2.gz GHHCBRZNBNRRDK-UHFFFAOYSA-N 1 2 259.353 2.165 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363813545 394886743 /nfs/dbraw/zinc/88/67/43/394886743.db2.gz GHHCBRZNBNRRDK-UHFFFAOYSA-N 1 2 259.353 2.165 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1OC ZINC000338997775 394935331 /nfs/dbraw/zinc/93/53/31/394935331.db2.gz BFVOCLKWNYGKDZ-INIZCTEOSA-N 1 2 295.354 2.166 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1OC ZINC000338997775 394935335 /nfs/dbraw/zinc/93/53/35/394935335.db2.gz BFVOCLKWNYGKDZ-INIZCTEOSA-N 1 2 295.354 2.166 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCC#N)CC[C@H]21 ZINC000366546354 394948000 /nfs/dbraw/zinc/94/80/00/394948000.db2.gz ULCMRMZPSPLDGR-CHWSQXEVSA-N 1 2 279.384 2.231 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCC#N)CC[C@H]21 ZINC000366546354 394948002 /nfs/dbraw/zinc/94/80/02/394948002.db2.gz ULCMRMZPSPLDGR-CHWSQXEVSA-N 1 2 279.384 2.231 20 30 CEEDLO C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000152941112 394999891 /nfs/dbraw/zinc/99/98/91/394999891.db2.gz QVZFJJFBOKZKIL-GDBMZVCRSA-N 1 2 265.445 2.099 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000135075890 394962494 /nfs/dbraw/zinc/96/24/94/394962494.db2.gz NPENWWIBRIGBDX-SWLSCSKDSA-N 1 2 295.452 2.224 20 30 CEEDLO C[C@H](O[NH+]=C(N)CCO)c1ncc(-c2ccccc2)o1 ZINC000136066075 394969304 /nfs/dbraw/zinc/96/93/04/394969304.db2.gz SOXFATCQKDTQDP-JTQLQIEISA-N 1 2 275.308 2.074 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc(C)[nH+]c(CC)n2)n1 ZINC000287969827 395049802 /nfs/dbraw/zinc/04/98/02/395049802.db2.gz ZOUXVTJHJCEOLF-UHFFFAOYSA-N 1 2 283.379 2.204 20 30 CEEDLO Cc1cc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(C#N)c[nH+]1 ZINC000425235289 395052987 /nfs/dbraw/zinc/05/29/87/395052987.db2.gz IIWRRKLGYYOZDG-HYVNUMGLSA-N 1 2 261.328 2.434 20 30 CEEDLO CC#CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425229411 395053046 /nfs/dbraw/zinc/05/30/46/395053046.db2.gz QFPLMJXRAGUDGQ-CQSZACIVSA-N 1 2 267.332 2.071 20 30 CEEDLO Cc1cc(NCc2cc(C)[nH+]c(C)c2)c(C#N)cn1 ZINC000425267724 395055492 /nfs/dbraw/zinc/05/54/92/395055492.db2.gz MEPPREVRRWMORJ-UHFFFAOYSA-N 1 2 252.321 2.308 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncnn1CCF ZINC000425540976 395061301 /nfs/dbraw/zinc/06/13/01/395061301.db2.gz WCKPZTPZGUNYTQ-LBPRGKRZSA-N 1 2 287.342 2.312 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncnn1CCF ZINC000425540976 395061304 /nfs/dbraw/zinc/06/13/04/395061304.db2.gz WCKPZTPZGUNYTQ-LBPRGKRZSA-N 1 2 287.342 2.312 20 30 CEEDLO C#CCCCNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000374499589 395082893 /nfs/dbraw/zinc/08/28/93/395082893.db2.gz CIHQOGATAJZTFL-UHFFFAOYSA-N 1 2 296.374 2.300 20 30 CEEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000346317602 395094198 /nfs/dbraw/zinc/09/41/98/395094198.db2.gz JYLQQEBFLHSFKH-CYBMUJFWSA-N 1 2 297.358 2.460 20 30 CEEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000346317602 395094204 /nfs/dbraw/zinc/09/42/04/395094204.db2.gz JYLQQEBFLHSFKH-CYBMUJFWSA-N 1 2 297.358 2.460 20 30 CEEDLO CC#CCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000156730036 395033161 /nfs/dbraw/zinc/03/31/61/395033161.db2.gz QAELBIPUKQXYJJ-HNNXBMFYSA-N 1 2 257.333 2.172 20 30 CEEDLO CC#CCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000156730036 395033167 /nfs/dbraw/zinc/03/31/67/395033167.db2.gz QAELBIPUKQXYJJ-HNNXBMFYSA-N 1 2 257.333 2.172 20 30 CEEDLO C=C(C)CN1CC[N@H+](CC(=C)C)[C@@H](c2cnn(C)c2)C1 ZINC000372345425 395040826 /nfs/dbraw/zinc/04/08/26/395040826.db2.gz GIQCVAZNROTVTB-MRXNPFEDSA-N 1 2 274.412 2.231 20 30 CEEDLO C=C(C)CN1CC[N@@H+](CC(=C)C)[C@@H](c2cnn(C)c2)C1 ZINC000372345425 395040830 /nfs/dbraw/zinc/04/08/30/395040830.db2.gz GIQCVAZNROTVTB-MRXNPFEDSA-N 1 2 274.412 2.231 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000174869974 395130124 /nfs/dbraw/zinc/13/01/24/395130124.db2.gz BNULGEJMMYASOW-OAHLLOKOSA-N 1 2 285.391 2.489 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000174869974 395130128 /nfs/dbraw/zinc/13/01/28/395130128.db2.gz BNULGEJMMYASOW-OAHLLOKOSA-N 1 2 285.391 2.489 20 30 CEEDLO CCn1c[nH+]cc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000417810557 395131167 /nfs/dbraw/zinc/13/11/67/395131167.db2.gz IWKGQCVFXNOPFI-QGZVFWFLSA-N 1 2 296.374 2.348 20 30 CEEDLO C#CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376166290 395110952 /nfs/dbraw/zinc/11/09/52/395110952.db2.gz LGNWGUIAUWWRPT-OAHLLOKOSA-N 1 2 293.370 2.252 20 30 CEEDLO CSCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000181880661 395226582 /nfs/dbraw/zinc/22/65/82/395226582.db2.gz YVLSCAIGOMGHOA-UHFFFAOYSA-N 1 2 294.424 2.072 20 30 CEEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439274237 395254766 /nfs/dbraw/zinc/25/47/66/395254766.db2.gz OOPOGOWIIZOGQU-SMDDNHRTSA-N 1 2 294.782 2.447 20 30 CEEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439274237 395254770 /nfs/dbraw/zinc/25/47/70/395254770.db2.gz OOPOGOWIIZOGQU-SMDDNHRTSA-N 1 2 294.782 2.447 20 30 CEEDLO CC(=O)N1CC[N@H+](CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000182178049 395235674 /nfs/dbraw/zinc/23/56/74/395235674.db2.gz DGDYDVNRCXNDIB-UHFFFAOYSA-N 1 2 288.366 2.120 20 30 CEEDLO CC(=O)N1CC[N@@H+](CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000182178049 395235679 /nfs/dbraw/zinc/23/56/79/395235679.db2.gz DGDYDVNRCXNDIB-UHFFFAOYSA-N 1 2 288.366 2.120 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NCc1c[nH+]cn1C ZINC000182578247 395245499 /nfs/dbraw/zinc/24/54/99/395245499.db2.gz TYKHGIUWCZLOMV-LLVKDONJSA-N 1 2 256.309 2.323 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000292985029 395213171 /nfs/dbraw/zinc/21/31/71/395213171.db2.gz FNDLOLATBBBELL-CQSZACIVSA-N 1 2 265.353 2.418 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000292985029 395213175 /nfs/dbraw/zinc/21/31/75/395213175.db2.gz FNDLOLATBBBELL-CQSZACIVSA-N 1 2 265.353 2.418 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000352427431 395252824 /nfs/dbraw/zinc/25/28/24/395252824.db2.gz GZMNJFINAKBIGU-NSHDSACASA-N 1 2 288.273 2.001 20 30 CEEDLO COC(=O)c1cc(C[NH+]2CCC(F)(C#N)CC2)oc1C ZINC000352469596 395259130 /nfs/dbraw/zinc/25/91/30/395259130.db2.gz YWFFFHZMBYYJCX-UHFFFAOYSA-N 1 2 280.299 2.202 20 30 CEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484386 395260299 /nfs/dbraw/zinc/26/02/99/395260299.db2.gz OLIDWBFKGSYQCX-CYBMUJFWSA-N 1 2 295.402 2.494 20 30 CEEDLO C[C@@H](C#N)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000412332466 395355197 /nfs/dbraw/zinc/35/51/97/395355197.db2.gz PLATYBOIRPZQBL-JTQLQIEISA-N 1 2 282.347 2.227 20 30 CEEDLO COc1cc(C[N@H+](C)Cc2cc(C)on2)ccc1C#N ZINC000442803460 395396107 /nfs/dbraw/zinc/39/61/07/395396107.db2.gz WSOBEFKIIQXFBY-UHFFFAOYSA-N 1 2 271.320 2.495 20 30 CEEDLO COc1cc(C[N@@H+](C)Cc2cc(C)on2)ccc1C#N ZINC000442803460 395396110 /nfs/dbraw/zinc/39/61/10/395396110.db2.gz WSOBEFKIIQXFBY-UHFFFAOYSA-N 1 2 271.320 2.495 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000411623750 395331873 /nfs/dbraw/zinc/33/18/73/395331873.db2.gz SIGCNAKELVANEM-GDBMZVCRSA-N 1 2 274.364 2.458 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000411623750 395331881 /nfs/dbraw/zinc/33/18/81/395331881.db2.gz SIGCNAKELVANEM-GDBMZVCRSA-N 1 2 274.364 2.458 20 30 CEEDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)ccc1C#N ZINC000442843954 395396379 /nfs/dbraw/zinc/39/63/79/395396379.db2.gz KUPADCVUDKOYOS-MRXNPFEDSA-N 1 2 274.364 2.424 20 30 CEEDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)ccc1C#N ZINC000442843954 395396380 /nfs/dbraw/zinc/39/63/80/395396380.db2.gz KUPADCVUDKOYOS-MRXNPFEDSA-N 1 2 274.364 2.424 20 30 CEEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1occc1C ZINC000412045921 395347782 /nfs/dbraw/zinc/34/77/82/395347782.db2.gz SECTVOATGZFJHH-MRXNPFEDSA-N 1 2 289.379 2.218 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1occc1C ZINC000412045921 395347788 /nfs/dbraw/zinc/34/77/88/395347788.db2.gz SECTVOATGZFJHH-MRXNPFEDSA-N 1 2 289.379 2.218 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000531129140 395457985 /nfs/dbraw/zinc/45/79/85/395457985.db2.gz AZCFAQZGWRIKFF-HNNXBMFYSA-N 1 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WCFIAKHTOYAWGL-LLVKDONJSA-N 1 2 270.336 2.151 20 30 CEEDLO CO[C@@H]1C[NH+](Cc2ccc(Cl)cc2C#N)C[C@H]1OC ZINC000487990252 395667822 /nfs/dbraw/zinc/66/78/22/395667822.db2.gz QUNRZOJFMIATSL-ZIAGYGMSSA-N 1 2 280.755 2.057 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000491715974 395670478 /nfs/dbraw/zinc/67/04/78/395670478.db2.gz LNDKLKAEVBMNAT-NSHDSACASA-N 1 2 271.320 2.199 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000491715974 395670479 /nfs/dbraw/zinc/67/04/79/395670479.db2.gz LNDKLKAEVBMNAT-NSHDSACASA-N 1 2 271.320 2.199 20 30 CEEDLO C#CC[N@H+](Cc1ncc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000491811589 395670721 /nfs/dbraw/zinc/67/07/21/395670721.db2.gz CBRQZPKFYXRDPO-QGZVFWFLSA-N 1 2 288.354 2.471 20 30 CEEDLO C#CC[N@@H+](Cc1ncc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000491811589 395670722 /nfs/dbraw/zinc/67/07/22/395670722.db2.gz CBRQZPKFYXRDPO-QGZVFWFLSA-N 1 2 288.354 2.471 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000646626069 396364072 /nfs/dbraw/zinc/36/40/72/396364072.db2.gz NZRDLRHGKINGGJ-AWEZNQCLSA-N 1 2 285.347 2.248 20 30 CEEDLO COc1cc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)ccn1 ZINC000425273678 400574284 /nfs/dbraw/zinc/57/42/84/400574284.db2.gz YIIDUKWLLVMVLP-LLVKDONJSA-N 1 2 268.320 2.260 20 30 CEEDLO C[C@H](C(=O)NCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000359849968 155150414 /nfs/dbraw/zinc/15/04/14/155150414.db2.gz OVLJFJDQRDTBBP-ZDUSSCGKSA-N 1 2 282.347 2.065 20 30 CEEDLO C=CCOCC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650685338 400988374 /nfs/dbraw/zinc/98/83/74/400988374.db2.gz DUHBFDZEAGDQHV-HNNXBMFYSA-N 1 2 299.374 2.023 20 30 CEEDLO C=CCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651757505 401384469 /nfs/dbraw/zinc/38/44/69/401384469.db2.gz XFFDHBKMZMCZRH-UHFFFAOYSA-N 1 2 261.369 2.234 20 30 CEEDLO Cc1cc(C#N)nc(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000367185303 156145510 /nfs/dbraw/zinc/14/55/10/156145510.db2.gz IYPWQDQUNCKBCI-UHFFFAOYSA-N 1 2 294.362 2.133 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccccc1C#N)CC2 ZINC000374673293 157000547 /nfs/dbraw/zinc/00/05/47/157000547.db2.gz AVAANQNOFMCNTB-UHFFFAOYSA-N 1 2 252.321 2.079 20 30 CEEDLO C[C@H]1CCN(c2cc(C#N)ccn2)C[C@H]1n1cc[nH+]c1 ZINC000376397041 157218870 /nfs/dbraw/zinc/21/88/70/157218870.db2.gz QLJYVRQTGGZOAE-GXTWGEPZSA-N 1 2 267.336 2.237 20 30 CEEDLO N#Cc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178358384 165237448 /nfs/dbraw/zinc/23/74/48/165237448.db2.gz OGIGBVTUJLNDSY-UHFFFAOYSA-N 1 2 276.299 2.136 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000378396624 287131192 /nfs/dbraw/zinc/13/11/92/287131192.db2.gz OZQUKDBOGUQLEC-WMLDXEAASA-N 1 2 285.391 2.026 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(F)c1 ZINC000285303340 196245315 /nfs/dbraw/zinc/24/53/15/196245315.db2.gz LKPBUQMOZUEDMY-INIZCTEOSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(F)c1 ZINC000285303340 196245317 /nfs/dbraw/zinc/24/53/17/196245317.db2.gz LKPBUQMOZUEDMY-INIZCTEOSA-N 1 2 290.338 2.079 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000660423957 414813518 /nfs/dbraw/zinc/81/35/18/414813518.db2.gz YHEMULCJVPCDMT-MELADBBJSA-N 1 2 274.368 2.164 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(Cl)o2)nn1 ZINC000657288837 414833541 /nfs/dbraw/zinc/83/35/41/414833541.db2.gz GMPQVESCQDOPCM-UHFFFAOYSA-N 1 2 266.732 2.390 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cc(F)ccc2OC)nn1 ZINC000657440301 414937668 /nfs/dbraw/zinc/93/76/68/414937668.db2.gz QUZGMSKVNJECON-UHFFFAOYSA-N 1 2 290.342 2.292 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cccnc2)nn1 ZINC000653598309 415048112 /nfs/dbraw/zinc/04/81/12/415048112.db2.gz VDVPLXICVQHDHN-GFCCVEGCSA-N 1 2 257.341 2.100 20 30 CEEDLO C=CC[N@H+](Cc1nnc2n1CCCCC2)[C@H](C)COC ZINC000661240319 415152082 /nfs/dbraw/zinc/15/20/82/415152082.db2.gz NIKMCGAIELAJOX-CYBMUJFWSA-N 1 2 278.400 2.027 20 30 CEEDLO C=CC[N@@H+](Cc1nnc2n1CCCCC2)[C@H](C)COC ZINC000661240319 415152089 /nfs/dbraw/zinc/15/20/89/415152089.db2.gz NIKMCGAIELAJOX-CYBMUJFWSA-N 1 2 278.400 2.027 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000655489395 415303692 /nfs/dbraw/zinc/30/36/92/415303692.db2.gz QBOMZZCYQAFNQX-NSHDSACASA-N 1 2 253.371 2.006 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000664928168 415525666 /nfs/dbraw/zinc/52/56/66/415525666.db2.gz YEMGLACIVXHWRI-LLVKDONJSA-N 1 2 276.384 2.311 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000664928168 415525670 /nfs/dbraw/zinc/52/56/70/415525670.db2.gz YEMGLACIVXHWRI-LLVKDONJSA-N 1 2 276.384 2.311 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1ncc(-c2ccc(C)cc2)o1 ZINC000662167281 415669122 /nfs/dbraw/zinc/66/91/22/415669122.db2.gz YIBNDMHOURBBMG-CYBMUJFWSA-N 1 2 258.321 2.287 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC000071230665 176091968 /nfs/dbraw/zinc/09/19/68/176091968.db2.gz YPEPVOZWIZJCBL-UHFFFAOYSA-N 1 2 278.352 2.066 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC000071230665 176091969 /nfs/dbraw/zinc/09/19/69/176091969.db2.gz YPEPVOZWIZJCBL-UHFFFAOYSA-N 1 2 278.352 2.066 20 30 CEEDLO C=CC[C@H](Cc1ccccc1)n1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656457267 415714634 /nfs/dbraw/zinc/71/46/34/415714634.db2.gz IVKOOMLXJQESHS-NVXWUHKLSA-N 1 2 298.390 2.299 20 30 CEEDLO C=CCCn1cc(CNc2cc(COC)cc[nH+]2)nn1 ZINC000656775901 415854270 /nfs/dbraw/zinc/85/42/70/415854270.db2.gz AYALDYKEYSIMBF-UHFFFAOYSA-N 1 2 273.340 2.008 20 30 CEEDLO Cn1cc[nH+]c1CNc1nc(C(F)(F)F)ccc1C#N ZINC000078835813 177395957 /nfs/dbraw/zinc/39/59/57/177395957.db2.gz IPSOOABKXIRDDK-UHFFFAOYSA-N 1 2 281.241 2.318 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329769871 227943460 /nfs/dbraw/zinc/94/34/60/227943460.db2.gz FPXGCYIWIZMBTN-CMPLNLGQSA-N 1 2 269.308 2.162 20 30 CEEDLO [O-]C(NCC1CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202039 228064536 /nfs/dbraw/zinc/06/45/36/228064536.db2.gz YTLSNMUBJOTDFT-CYBMUJFWSA-N 1 2 276.384 2.282 20 30 CEEDLO C=CCc1cc(C[NH+]2CC(OCC)C2)cc(OC)c1O ZINC000297353304 260119851 /nfs/dbraw/zinc/11/98/51/260119851.db2.gz GBTNULVBJWYOIR-UHFFFAOYSA-N 1 2 277.364 2.350 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000299284847 260179829 /nfs/dbraw/zinc/17/98/29/260179829.db2.gz VWHHEWMEOAZUKX-AWEZNQCLSA-N 1 2 299.374 2.470 20 30 CEEDLO C=CCN(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC000299580667 260188525 /nfs/dbraw/zinc/18/85/25/260188525.db2.gz CMZSJYXMQXXZBY-UHFFFAOYSA-N 1 2 269.348 2.488 20 30 CEEDLO CCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000085261211 260371918 /nfs/dbraw/zinc/37/19/18/260371918.db2.gz HPWMFWUYQBNXOQ-UHFFFAOYSA-N 1 2 262.357 2.119 20 30 CEEDLO N#C[C@@H]1[N@H+](CC[C@H]2CCOC2)CCC[C@]12CCCCO2 ZINC000448283058 261087436 /nfs/dbraw/zinc/08/74/36/261087436.db2.gz WWJRKJLMVTXJHG-HRCADAONSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@@H]1[N@@H+](CC[C@H]2CCOC2)CCC[C@]12CCCCO2 ZINC000448283058 261087437 /nfs/dbraw/zinc/08/74/37/261087437.db2.gz WWJRKJLMVTXJHG-HRCADAONSA-N 1 2 278.396 2.340 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCNC3=O)c(Cl)c1 ZINC000518790754 262209108 /nfs/dbraw/zinc/20/91/08/262209108.db2.gz LXBMSUNRYLRTTA-OAHLLOKOSA-N 1 2 289.766 2.066 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCNC3=O)c(Cl)c1 ZINC000518790754 262209109 /nfs/dbraw/zinc/20/91/09/262209109.db2.gz LXBMSUNRYLRTTA-OAHLLOKOSA-N 1 2 289.766 2.066 20 30 CEEDLO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000365227999 262352888 /nfs/dbraw/zinc/35/28/88/262352888.db2.gz MDTYVVVDUPFHGB-HUUCEWRRSA-N 1 2 284.363 2.287 20 30 CEEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000365227999 262352889 /nfs/dbraw/zinc/35/28/89/262352889.db2.gz MDTYVVVDUPFHGB-HUUCEWRRSA-N 1 2 284.363 2.287 20 30 CEEDLO Fc1ccc(N2CC[NH+](CC#Cc3ccccc3)CC2)nc1 ZINC000365266260 262356158 /nfs/dbraw/zinc/35/61/58/262356158.db2.gz KHJMNQHAZFCBJK-UHFFFAOYSA-N 1 2 295.361 2.394 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CCCOC1 ZINC000336803344 262395903 /nfs/dbraw/zinc/39/59/03/262395903.db2.gz YBWOBEVZLLKPME-AWEZNQCLSA-N 1 2 259.353 2.224 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+](C[C@H](C)C#N)C3CC3)cc12 ZINC000336840340 262399650 /nfs/dbraw/zinc/39/96/50/262399650.db2.gz WPFAYGSZXPYFCX-LLVKDONJSA-N 1 2 283.379 2.401 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+](C[C@H](C)C#N)C3CC3)cc12 ZINC000336840340 262399651 /nfs/dbraw/zinc/39/96/51/262399651.db2.gz WPFAYGSZXPYFCX-LLVKDONJSA-N 1 2 283.379 2.401 20 30 CEEDLO CCCCCCCS(=O)(=O)Cc1c[nH+]cn1C ZINC000268748596 262957322 /nfs/dbraw/zinc/95/73/22/262957322.db2.gz IQAAYCLXXYSFQM-UHFFFAOYSA-N 1 2 258.387 2.305 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000272051480 263001799 /nfs/dbraw/zinc/00/17/99/263001799.db2.gz UNLQGESKVHKGJR-UHFFFAOYSA-N 1 2 283.375 2.478 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(C)(C)C#N)c1 ZINC000272051480 263001800 /nfs/dbraw/zinc/00/18/00/263001800.db2.gz UNLQGESKVHKGJR-UHFFFAOYSA-N 1 2 283.375 2.478 20 30 CEEDLO COC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000272116676 263002420 /nfs/dbraw/zinc/00/24/20/263002420.db2.gz IEWGBPSGUPAUCT-UHFFFAOYSA-N 1 2 289.379 2.078 20 30 CEEDLO CC[C@H](C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000279628744 263056290 /nfs/dbraw/zinc/05/62/90/263056290.db2.gz BOUZKUULBQMFSI-SECBINFHSA-N 1 2 292.289 2.041 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCCC(C)(C)C#N)c1 ZINC000281837100 263072299 /nfs/dbraw/zinc/07/22/99/263072299.db2.gz IPUFQYPELZBQDL-UHFFFAOYSA-N 1 2 261.325 2.272 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](CCC#N)CC(C)(C)C)C1=O ZINC000281976798 263073484 /nfs/dbraw/zinc/07/34/84/263073484.db2.gz LOLYPBSQWPUWEJ-CYBMUJFWSA-N 1 2 263.385 2.035 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](CCC#N)CC(C)(C)C)C1=O ZINC000281976798 263073485 /nfs/dbraw/zinc/07/34/85/263073485.db2.gz LOLYPBSQWPUWEJ-CYBMUJFWSA-N 1 2 263.385 2.035 20 30 CEEDLO C[C@H](C#N)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452352272 263078318 /nfs/dbraw/zinc/07/83/18/263078318.db2.gz HDPUZLVIBBUWHD-SNVBAGLBSA-N 1 2 268.320 2.399 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCCCCCF)cc1OC ZINC000284475009 263087117 /nfs/dbraw/zinc/08/71/17/263087117.db2.gz RNDPWKXLBKKAIB-UHFFFAOYSA-N 1 2 284.331 2.481 20 30 CEEDLO COc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1Cl ZINC000284562769 263087482 /nfs/dbraw/zinc/08/74/82/263087482.db2.gz WLCNPXOTDQFBIX-GFCCVEGCSA-N 1 2 284.743 2.316 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1)C1CC1 ZINC000285305499 263092116 /nfs/dbraw/zinc/09/21/16/263092116.db2.gz LOIDRENANCCHRZ-QGZVFWFLSA-N 1 2 299.374 2.177 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC=C(c2ccco2)C1)C1CC1 ZINC000285305499 263092117 /nfs/dbraw/zinc/09/21/17/263092117.db2.gz LOIDRENANCCHRZ-QGZVFWFLSA-N 1 2 299.374 2.177 20 30 CEEDLO CCCCCCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285882624 263096254 /nfs/dbraw/zinc/09/62/54/263096254.db2.gz JIFFIWOOPXNDMC-ZDUSSCGKSA-N 1 2 292.383 2.233 20 30 CEEDLO CCCCCCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285882624 263096255 /nfs/dbraw/zinc/09/62/55/263096255.db2.gz JIFFIWOOPXNDMC-ZDUSSCGKSA-N 1 2 292.383 2.233 20 30 CEEDLO CCCCNc1cc(N2CCC(C)(C#N)CC2)nc(N)[nH+]1 ZINC000286624846 263098926 /nfs/dbraw/zinc/09/89/26/263098926.db2.gz WCWMHYVPVMINFH-UHFFFAOYSA-N 1 2 288.399 2.401 20 30 CEEDLO CCCCNc1cc(N2CCC(C)(C#N)CC2)[nH+]c(N)n1 ZINC000286624846 263098927 /nfs/dbraw/zinc/09/89/27/263098927.db2.gz WCWMHYVPVMINFH-UHFFFAOYSA-N 1 2 288.399 2.401 20 30 CEEDLO C#Cc1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000289494325 263110661 /nfs/dbraw/zinc/11/06/61/263110661.db2.gz CVBTYQBSMNIIOR-ZDUSSCGKSA-N 1 2 291.416 2.065 20 30 CEEDLO C#Cc1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000289494325 263110662 /nfs/dbraw/zinc/11/06/62/263110662.db2.gz CVBTYQBSMNIIOR-ZDUSSCGKSA-N 1 2 291.416 2.065 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000291123944 263120402 /nfs/dbraw/zinc/12/04/02/263120402.db2.gz NQNVAPGOCCWUGW-AWEZNQCLSA-N 1 2 292.383 2.197 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC000291474576 263123053 /nfs/dbraw/zinc/12/30/53/263123053.db2.gz FDNIHWTVWSMQPD-UHFFFAOYSA-N 1 2 295.390 2.249 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC000291474576 263123054 /nfs/dbraw/zinc/12/30/54/263123054.db2.gz FDNIHWTVWSMQPD-UHFFFAOYSA-N 1 2 295.390 2.249 20 30 CEEDLO CN(CCC#N)c1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000291474576 263123055 /nfs/dbraw/zinc/12/30/55/263123055.db2.gz FDNIHWTVWSMQPD-UHFFFAOYSA-N 1 2 295.390 2.249 20 30 CEEDLO N#CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000293009590 263137090 /nfs/dbraw/zinc/13/70/90/263137090.db2.gz HKNNHCWIISFCCE-INIZCTEOSA-N 1 2 276.355 2.497 20 30 CEEDLO N#CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000293009590 263137091 /nfs/dbraw/zinc/13/70/91/263137091.db2.gz HKNNHCWIISFCCE-INIZCTEOSA-N 1 2 276.355 2.497 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)NCc1[nH+]ccn1CC ZINC000295546636 263179335 /nfs/dbraw/zinc/17/93/35/263179335.db2.gz DBNHBUFELRGQHB-ZDUSSCGKSA-N 1 2 294.399 2.490 20 30 CEEDLO CN1C(=O)C[C@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000298584287 263222847 /nfs/dbraw/zinc/22/28/47/263222847.db2.gz RFIRQHQYDAMNPZ-JSGCOSHPSA-N 1 2 277.755 2.115 20 30 CEEDLO O=C(CC/[NH+]=C/c1cccc(O)c1O)N1CCCCCC1 ZINC000299512441 263245075 /nfs/dbraw/zinc/24/50/75/263245075.db2.gz UFZMTTMFHLDVRL-SFQUDFHCSA-N 1 2 290.363 2.309 20 30 CEEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC000342018372 263379428 /nfs/dbraw/zinc/37/94/28/263379428.db2.gz NKNMZKQKPBNONW-JTQLQIEISA-N 1 2 280.397 2.160 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2ccccc2C#N)CC1 ZINC000341992166 263382355 /nfs/dbraw/zinc/38/23/55/263382355.db2.gz OODCRRICVZZMQA-UHFFFAOYSA-N 1 2 269.348 2.310 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C(C)C)c1C ZINC000330630812 264000160 /nfs/dbraw/zinc/00/01/60/264000160.db2.gz DODVXIZAUATVGZ-UHFFFAOYSA-N 1 2 261.329 2.309 20 30 CEEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)sc1C ZINC000330817155 264046306 /nfs/dbraw/zinc/04/63/06/264046306.db2.gz GKSHUEIGKIFOKI-ZMLRMANQSA-N 1 2 292.408 2.369 20 30 CEEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000330944440 264084506 /nfs/dbraw/zinc/08/45/06/264084506.db2.gz IRBOTAKMOQSSDP-LBPRGKRZSA-N 1 2 297.786 2.056 20 30 CEEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000330944440 264084507 /nfs/dbraw/zinc/08/45/07/264084507.db2.gz IRBOTAKMOQSSDP-LBPRGKRZSA-N 1 2 297.786 2.056 20 30 CEEDLO CC[C@@](C)(CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331069866 264112757 /nfs/dbraw/zinc/11/27/57/264112757.db2.gz RQNXQEZCXQINFP-HNNXBMFYSA-N 1 2 275.352 2.347 20 30 CEEDLO Cc1nc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC000331227803 264151151 /nfs/dbraw/zinc/15/11/51/264151151.db2.gz DVMXGHYAXGWSMH-UHFFFAOYSA-N 1 2 289.339 2.376 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331308680 264185284 /nfs/dbraw/zinc/18/52/84/264185284.db2.gz BKUBEFGXXFQZBQ-JQWIXIFHSA-N 1 2 276.336 2.410 20 30 CEEDLO CS[C@H](CO)[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331309891 264186391 /nfs/dbraw/zinc/18/63/91/264186391.db2.gz HHOSWUFQWDAKRQ-CMPLNLGQSA-N 1 2 297.424 2.445 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)CCCO)c(C)[nH+]1 ZINC000331302406 264200123 /nfs/dbraw/zinc/20/01/23/264200123.db2.gz FGMPLBIKTZARDL-JTQLQIEISA-N 1 2 265.357 2.494 20 30 CEEDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000425375358 264203882 /nfs/dbraw/zinc/20/38/82/264203882.db2.gz SZMPVPZTQYRTAA-UHFFFAOYSA-N 1 2 299.330 2.358 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000131612729 264374181 /nfs/dbraw/zinc/37/41/81/264374181.db2.gz FNWOKHAZZBJCGS-LSDHHAIUSA-N 1 2 280.412 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000131612729 264374184 /nfs/dbraw/zinc/37/41/84/264374184.db2.gz FNWOKHAZZBJCGS-LSDHHAIUSA-N 1 2 280.412 2.076 20 30 CEEDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(C#N)c(OC)c1 ZINC000233020966 266045100 /nfs/dbraw/zinc/04/51/00/266045100.db2.gz YQGUITBBBOUEFU-UHFFFAOYSA-N 1 2 290.363 2.342 20 30 CEEDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(C#N)c(OC)c1 ZINC000233020966 266045101 /nfs/dbraw/zinc/04/51/01/266045101.db2.gz YQGUITBBBOUEFU-UHFFFAOYSA-N 1 2 290.363 2.342 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1 ZINC000356477798 266122040 /nfs/dbraw/zinc/12/20/40/266122040.db2.gz PHTCOSWMMGGPHI-ZIAGYGMSSA-N 1 2 273.380 2.173 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1 ZINC000356477798 266122043 /nfs/dbraw/zinc/12/20/43/266122043.db2.gz PHTCOSWMMGGPHI-ZIAGYGMSSA-N 1 2 273.380 2.173 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450828432 267256677 /nfs/dbraw/zinc/25/66/77/267256677.db2.gz KJXLPPDFBJQBBO-SECBINFHSA-N 1 2 286.295 2.251 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CNc1ccc(C#N)cc1 ZINC000456373255 267256870 /nfs/dbraw/zinc/25/68/70/267256870.db2.gz FZTOHVLGQTZPBS-LBPRGKRZSA-N 1 2 297.362 2.064 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1ccc(C#N)cc1 ZINC000456369902 267258125 /nfs/dbraw/zinc/25/81/25/267258125.db2.gz DLLHJSOJRXHVPW-LBPRGKRZSA-N 1 2 282.347 2.195 20 30 CEEDLO C=CCSCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000369953521 267279256 /nfs/dbraw/zinc/27/92/56/267279256.db2.gz ZAQNGMOJTGEGAB-HNNXBMFYSA-N 1 2 290.432 2.296 20 30 CEEDLO C=CCSCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000369953521 267279258 /nfs/dbraw/zinc/27/92/58/267279258.db2.gz ZAQNGMOJTGEGAB-HNNXBMFYSA-N 1 2 290.432 2.296 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374362391 267784638 /nfs/dbraw/zinc/78/46/38/267784638.db2.gz ZYXNKZYWLIBZLF-INIZCTEOSA-N 1 2 285.391 2.323 20 30 CEEDLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)on1 ZINC000425534914 268006568 /nfs/dbraw/zinc/00/65/68/268006568.db2.gz MOBAVXMABCEJFS-LBPRGKRZSA-N 1 2 298.346 2.486 20 30 CEEDLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)on1 ZINC000425534914 268006569 /nfs/dbraw/zinc/00/65/69/268006569.db2.gz MOBAVXMABCEJFS-LBPRGKRZSA-N 1 2 298.346 2.486 20 30 CEEDLO C=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000377135690 268050875 /nfs/dbraw/zinc/05/08/75/268050875.db2.gz GCOTUURVGONXLU-OAHLLOKOSA-N 1 2 281.359 2.275 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000187302972 276052820 /nfs/dbraw/zinc/05/28/20/276052820.db2.gz IHKQFVWMQOPEPH-MRXNPFEDSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000187302972 276052821 /nfs/dbraw/zinc/05/28/21/276052821.db2.gz IHKQFVWMQOPEPH-MRXNPFEDSA-N 1 2 289.354 2.188 20 30 CEEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191169605 279141159 /nfs/dbraw/zinc/14/11/59/279141159.db2.gz FCPVAYWBFATCRA-GFCCVEGCSA-N 1 2 254.337 2.275 20 30 CEEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191169605 279141161 /nfs/dbraw/zinc/14/11/61/279141161.db2.gz FCPVAYWBFATCRA-GFCCVEGCSA-N 1 2 254.337 2.275 20 30 CEEDLO C[C@H](CNC(=O)/C=C/c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000153742708 289121204 /nfs/dbraw/zinc/12/12/04/289121204.db2.gz GQFCVJQIDQKVNC-VBROQKIQSA-N 1 2 294.358 2.220 20 30 CEEDLO Cc1oc(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c(C#N)c1C ZINC000336622702 294037289 /nfs/dbraw/zinc/03/72/89/294037289.db2.gz CDHBLDUEECEYOD-IUCAKERBSA-N 1 2 261.325 2.189 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352489501 298111391 /nfs/dbraw/zinc/11/13/91/298111391.db2.gz AVHUIPVMULOHIU-MGPQQGTHSA-N 1 2 295.402 2.492 20 30 CEEDLO CC(C)[C@@H](NC(=O)Cc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000549752086 298445411 /nfs/dbraw/zinc/44/54/11/298445411.db2.gz FSUPBDUZBSUPAY-OAHLLOKOSA-N 1 2 282.347 2.337 20 30 CEEDLO N#Cc1cnc(C[NH+]2CCC(Cc3cccnc3)CC2)nc1 ZINC000557258248 298568306 /nfs/dbraw/zinc/56/83/06/298568306.db2.gz GHLSIQFAVLZWHB-UHFFFAOYSA-N 1 2 293.374 2.198 20 30 CEEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccc(C#N)c2)[nH+]1 ZINC000563285648 298761716 /nfs/dbraw/zinc/76/17/16/298761716.db2.gz WCBZKLHPOSUEMH-UHFFFAOYSA-N 1 2 268.320 2.255 20 30 CEEDLO Cc1cc(C#N)nc(N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000373938262 301078028 /nfs/dbraw/zinc/07/80/28/301078028.db2.gz LSOMCXWXRSZIKS-LBPRGKRZSA-N 1 2 268.324 2.111 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1N(c2ncccc2C#N)CC1(C)C ZINC000296245798 303011320 /nfs/dbraw/zinc/01/13/20/303011320.db2.gz IJZVDOSTRKLOLY-GFCCVEGCSA-N 1 2 267.336 2.274 20 30 CEEDLO CCc1ccc(CNC(=O)C[NH2+][C@H](CC)CC#N)s1 ZINC000581437133 327791359 /nfs/dbraw/zinc/79/13/59/327791359.db2.gz BOFINNSLGDFRAU-LLVKDONJSA-N 1 2 279.409 2.209 20 30 CEEDLO CC1(C)C[N@H+](Cc2ncc(C#N)cn2)CC2(CCCC2)O1 ZINC000574142899 314189734 /nfs/dbraw/zinc/18/97/34/314189734.db2.gz ACXFRBKTXJRZPT-UHFFFAOYSA-N 1 2 286.379 2.272 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ncc(C#N)cn2)CC2(CCCC2)O1 ZINC000574142899 314189737 /nfs/dbraw/zinc/18/97/37/314189737.db2.gz ACXFRBKTXJRZPT-UHFFFAOYSA-N 1 2 286.379 2.272 20 30 CEEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000578019033 314437803 /nfs/dbraw/zinc/43/78/03/314437803.db2.gz HQOKBIPSDPVQTK-NSHDSACASA-N 1 2 298.346 2.100 20 30 CEEDLO C#CCCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891367 649864933 /nfs/dbraw/zinc/86/49/33/649864933.db2.gz MURZWYWKAXHXMI-INIZCTEOSA-N 1 2 288.366 2.492 20 30 CEEDLO C[C@H](CC(=O)N(CC#N)c1ccccc1)n1cc[nH+]c1 ZINC000563222339 327980472 /nfs/dbraw/zinc/98/04/72/327980472.db2.gz JHLZOEWMMFNTSB-CYBMUJFWSA-N 1 2 268.320 2.391 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000563364735 328059143 /nfs/dbraw/zinc/05/91/43/328059143.db2.gz JOGAUMIIOKIXDZ-NSHDSACASA-N 1 2 290.323 2.124 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000339760872 328055564 /nfs/dbraw/zinc/05/55/64/328055564.db2.gz VWHAJZOKPQFSSE-UONOGXRCSA-N 1 2 270.376 2.308 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000339760872 328055566 /nfs/dbraw/zinc/05/55/66/328055566.db2.gz VWHAJZOKPQFSSE-UONOGXRCSA-N 1 2 270.376 2.308 20 30 CEEDLO C[C@H](CC(=O)N(CCC#N)Cc1ccccn1)n1cc[nH+]c1 ZINC000563540830 328073372 /nfs/dbraw/zinc/07/33/72/328073372.db2.gz HGXZGFBUFPFQIG-CQSZACIVSA-N 1 2 297.362 2.172 20 30 CEEDLO CC1(C#N)CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000571278535 328096992 /nfs/dbraw/zinc/09/69/92/328096992.db2.gz CTQBHBBTTJSYEM-AWEZNQCLSA-N 1 2 294.358 2.304 20 30 CEEDLO C=CCOCC[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000293544838 328103464 /nfs/dbraw/zinc/10/34/64/328103464.db2.gz QRAVOSBKJPLXRI-UHFFFAOYSA-N 1 2 277.364 2.254 20 30 CEEDLO C=CCOCC[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000293544838 328103466 /nfs/dbraw/zinc/10/34/66/328103466.db2.gz QRAVOSBKJPLXRI-UHFFFAOYSA-N 1 2 277.364 2.254 20 30 CEEDLO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000571430427 328121651 /nfs/dbraw/zinc/12/16/51/328121651.db2.gz NGPWJKIERSNARQ-IJLUTSLNSA-N 1 2 252.358 2.389 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sccc1C1CC1 ZINC000571526573 328131659 /nfs/dbraw/zinc/13/16/59/328131659.db2.gz IPAFUSMRJVOTJH-AWEZNQCLSA-N 1 2 277.393 2.199 20 30 CEEDLO CC[N@H+](CCC#N)CCc1nc2ccccc2n1C ZINC000267107715 328172824 /nfs/dbraw/zinc/17/28/24/328172824.db2.gz WNDKUMMANMYJJO-UHFFFAOYSA-N 1 2 256.353 2.351 20 30 CEEDLO CC[N@@H+](CCC#N)CCc1nc2ccccc2n1C ZINC000267107715 328172825 /nfs/dbraw/zinc/17/28/25/328172825.db2.gz WNDKUMMANMYJJO-UHFFFAOYSA-N 1 2 256.353 2.351 20 30 CEEDLO Cn1cc(C[NH+]2CCC(C)(C#N)CC2)c(C(F)F)n1 ZINC000274484159 328211583 /nfs/dbraw/zinc/21/15/83/328211583.db2.gz NJIJSLYHETZRGS-UHFFFAOYSA-N 1 2 268.311 2.483 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2S[C@@H]1CC[C@@H](C#N)C1 ZINC000278629139 328228765 /nfs/dbraw/zinc/22/87/65/328228765.db2.gz TYMPIIXVUXKJSW-RKDXNWHRSA-N 1 2 259.338 2.148 20 30 CEEDLO C#CCN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000282499500 328242570 /nfs/dbraw/zinc/24/25/70/328242570.db2.gz ODTNDELSEWANAR-UHFFFAOYSA-N 1 2 298.346 2.059 20 30 CEEDLO COc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)C#N ZINC000580988758 328292883 /nfs/dbraw/zinc/29/28/83/328292883.db2.gz QGXIGIZAECSCEG-LBPRGKRZSA-N 1 2 270.336 2.130 20 30 CEEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)c(F)c2)[nH]c1C ZINC000581261088 322382151 /nfs/dbraw/zinc/38/21/51/322382151.db2.gz NWQPWJDYYANYKB-UHFFFAOYSA-N 1 2 258.300 2.327 20 30 CEEDLO Cc1[nH]c(CNCc2ccc(C#N)c(F)c2)[nH+]c1C ZINC000581261088 322382153 /nfs/dbraw/zinc/38/21/53/322382153.db2.gz NWQPWJDYYANYKB-UHFFFAOYSA-N 1 2 258.300 2.327 20 30 CEEDLO C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)c2[nH+]ccn21 ZINC000583674694 322560628 /nfs/dbraw/zinc/56/06/28/322560628.db2.gz YMYBHFAMCVQSIK-PSASIEDQSA-N 1 2 273.727 2.343 20 30 CEEDLO Cc1nc(C(C)C)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309703 327299942 /nfs/dbraw/zinc/29/99/42/327299942.db2.gz RVCVRORUQYIKEM-MRXNPFEDSA-N 1 2 288.395 2.087 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000565052078 327423449 /nfs/dbraw/zinc/42/34/49/327423449.db2.gz UYALAUYQYFHMQX-APHBUQMISA-N 1 2 289.354 2.189 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000565052086 327423490 /nfs/dbraw/zinc/42/34/90/327423490.db2.gz UYALAUYQYFHMQX-YIEVGGLXSA-N 1 2 289.354 2.189 20 30 CEEDLO N#C[C@H]1CC[C@@H](Nc2cccc(CN3CCOCC3)[nH+]2)C1 ZINC000562463596 327482997 /nfs/dbraw/zinc/48/29/97/327482997.db2.gz WJWUQDONKRUTQV-UONOGXRCSA-N 1 2 286.379 2.018 20 30 CEEDLO Cc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CCC3)CC2)c1 ZINC000134502584 327494223 /nfs/dbraw/zinc/49/42/23/327494223.db2.gz VHSIOVQLALGDDK-UHFFFAOYSA-N 1 2 297.402 2.333 20 30 CEEDLO CCN(CCC#N)C(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000352185530 328745585 /nfs/dbraw/zinc/74/55/85/328745585.db2.gz DDAOJSBHOCGZPR-UHFFFAOYSA-N 1 2 287.354 2.306 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000374736591 328997108 /nfs/dbraw/zinc/99/71/08/328997108.db2.gz RRQPLNMDNLHZIT-UHFFFAOYSA-N 1 2 255.749 2.484 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375121489 329000817 /nfs/dbraw/zinc/00/08/17/329000817.db2.gz REYBTIWPHHBYEQ-CYBMUJFWSA-N 1 2 284.363 2.486 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174170939 329154477 /nfs/dbraw/zinc/15/44/77/329154477.db2.gz KKPFSOJIPASJMR-UHFFFAOYSA-N 1 2 272.805 2.111 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174170939 329154479 /nfs/dbraw/zinc/15/44/79/329154479.db2.gz KKPFSOJIPASJMR-UHFFFAOYSA-N 1 2 272.805 2.111 20 30 CEEDLO C=CC[C@H](C)NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000127880629 329603077 /nfs/dbraw/zinc/60/30/77/329603077.db2.gz QBEGBDACVJZCTO-KBPBESRZSA-N 1 2 288.395 2.314 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2ccsc21 ZINC000572367850 330011460 /nfs/dbraw/zinc/01/14/60/330011460.db2.gz KZSZEIWJCFJFMJ-OAHLLOKOSA-N 1 2 287.388 2.475 20 30 CEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](CCC#N)CC2CC2)C1 ZINC000081514849 330212583 /nfs/dbraw/zinc/21/25/83/330212583.db2.gz ODTVQTFTODJGHY-ZIAGYGMSSA-N 1 2 277.412 2.117 20 30 CEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](CCC#N)CC2CC2)C1 ZINC000081514849 330212585 /nfs/dbraw/zinc/21/25/85/330212585.db2.gz ODTVQTFTODJGHY-ZIAGYGMSSA-N 1 2 277.412 2.117 20 30 CEEDLO Cc1cc(C)c(C(=O)NC2CC[NH+](CCC#N)CC2)o1 ZINC000527577624 330263918 /nfs/dbraw/zinc/26/39/18/330263918.db2.gz ZQPWNZSNYQPABQ-UHFFFAOYSA-N 1 2 275.352 2.004 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(F)c2)nn1 ZINC000424144676 330290010 /nfs/dbraw/zinc/29/00/10/330290010.db2.gz SRHUSRHCTLFSJK-NSHDSACASA-N 1 2 260.316 2.454 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)nn1 ZINC000424291681 330334821 /nfs/dbraw/zinc/33/48/21/330334821.db2.gz FBGYSGHTSSSDFP-LBPRGKRZSA-N 1 2 274.372 2.092 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccccc2OC)nn1 ZINC000424293601 330335441 /nfs/dbraw/zinc/33/54/41/330335441.db2.gz ITILYWPLSCUHAO-LBPRGKRZSA-N 1 2 272.352 2.324 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2sccc2OC)nn1 ZINC000424295193 330335787 /nfs/dbraw/zinc/33/57/87/330335787.db2.gz MKGVACLITXEGLG-JTQLQIEISA-N 1 2 278.381 2.385 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Cl)cn2)nn1 ZINC000424300435 330337141 /nfs/dbraw/zinc/33/71/41/330337141.db2.gz XOHBMWPNWZFRKU-SNVBAGLBSA-N 1 2 277.759 2.363 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccncc2Cl)nn1 ZINC000424301081 330337818 /nfs/dbraw/zinc/33/78/18/330337818.db2.gz ZJVNFNXCRNYWAQ-JTQLQIEISA-N 1 2 277.759 2.363 20 30 CEEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CC1(CC#N)CC1 ZINC000429785183 330554968 /nfs/dbraw/zinc/55/49/68/330554968.db2.gz QEEHYDHSNGZZCZ-GFCCVEGCSA-N 1 2 252.358 2.248 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448595149 330713716 /nfs/dbraw/zinc/71/37/16/330713716.db2.gz FWTXVONPHWOHFB-BDJLRTHQSA-N 1 2 282.347 2.011 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448723889 330831261 /nfs/dbraw/zinc/83/12/61/330831261.db2.gz CTDLNUMUFPPUHC-GUYCJALGSA-N 1 2 298.390 2.238 20 30 CEEDLO CCOC(=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)nc1 ZINC000450972911 331009392 /nfs/dbraw/zinc/00/93/92/331009392.db2.gz JGSUEHRHBUBMDZ-UHFFFAOYSA-N 1 2 291.326 2.086 20 30 CEEDLO C=CCCCS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452040502 331051525 /nfs/dbraw/zinc/05/15/25/331051525.db2.gz JYOCPWHGNWQQPF-UHFFFAOYSA-N 1 2 268.382 2.084 20 30 CEEDLO C=CC[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454534401 331148183 /nfs/dbraw/zinc/14/81/83/331148183.db2.gz ULVATJWBEDJSAO-WDEREUQCSA-N 1 2 250.346 2.228 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000454795451 331153759 /nfs/dbraw/zinc/15/37/59/331153759.db2.gz AUAJYOOGHRXQLV-LBPRGKRZSA-N 1 2 264.373 2.447 20 30 CEEDLO C=CCCN(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455468796 331170438 /nfs/dbraw/zinc/17/04/38/331170438.db2.gz NKMAPGWOPMYLOB-LLVKDONJSA-N 1 2 250.346 2.182 20 30 CEEDLO C=CC[C@H](CO)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455501319 331171137 /nfs/dbraw/zinc/17/11/37/331171137.db2.gz UHSCNHPJNPZWMB-ZDUSSCGKSA-N 1 2 277.368 2.313 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(CC#N)c1)[NH+]1CCSCC1 ZINC000456753498 331200156 /nfs/dbraw/zinc/20/01/56/331200156.db2.gz PWRXKMASOVJRSI-LBPRGKRZSA-N 1 2 289.404 2.128 20 30 CEEDLO C=CC(C)(C)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000458986446 331264104 /nfs/dbraw/zinc/26/41/04/331264104.db2.gz KGHFZRWUBRMCTB-UHFFFAOYSA-N 1 2 276.384 2.442 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC ZINC000459000475 331265619 /nfs/dbraw/zinc/26/56/19/331265619.db2.gz HWGQHMCDDVOKJW-LBPRGKRZSA-N 1 2 262.357 2.153 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CC(OCCCOC)C2)cc1 ZINC000459595717 331289796 /nfs/dbraw/zinc/28/97/96/331289796.db2.gz QTGLJUPILXKHLB-UHFFFAOYSA-N 1 2 291.391 2.489 20 30 CEEDLO C=CCn1cccc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000488588951 332019483 /nfs/dbraw/zinc/01/94/83/332019483.db2.gz BHCSGAMAPYXEKN-UHFFFAOYSA-N 1 2 280.331 2.252 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000488995071 332036996 /nfs/dbraw/zinc/03/69/96/332036996.db2.gz SWBULQPOQRIUBE-LBPRGKRZSA-N 1 2 275.327 2.368 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000488995071 332036998 /nfs/dbraw/zinc/03/69/98/332036998.db2.gz SWBULQPOQRIUBE-LBPRGKRZSA-N 1 2 275.327 2.368 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000489502190 332057007 /nfs/dbraw/zinc/05/70/07/332057007.db2.gz XREPHQRLLLDXMX-ZDUSSCGKSA-N 1 2 293.436 2.314 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000489502190 332057008 /nfs/dbraw/zinc/05/70/08/332057008.db2.gz XREPHQRLLLDXMX-ZDUSSCGKSA-N 1 2 293.436 2.314 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000491350067 332194949 /nfs/dbraw/zinc/19/49/49/332194949.db2.gz LWZVAQNADHLZHT-CQSZACIVSA-N 1 2 282.347 2.083 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000491395035 332204021 /nfs/dbraw/zinc/20/40/21/332204021.db2.gz QIERKOVWOLQBBO-GJZGRUSLSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000491395035 332204022 /nfs/dbraw/zinc/20/40/22/332204022.db2.gz QIERKOVWOLQBBO-GJZGRUSLSA-N 1 2 270.376 2.222 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccccn2)n1 ZINC000491513547 332226312 /nfs/dbraw/zinc/22/63/12/332226312.db2.gz CTTKDVRHTOJYFK-HNNXBMFYSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccccn2)n1 ZINC000491513547 332226313 /nfs/dbraw/zinc/22/63/13/332226313.db2.gz CTTKDVRHTOJYFK-HNNXBMFYSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CCN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000491525826 332230199 /nfs/dbraw/zinc/23/01/99/332230199.db2.gz VQMZAUZBVKKFFR-UHFFFAOYSA-N 1 2 268.320 2.184 20 30 CEEDLO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC000491617585 332244301 /nfs/dbraw/zinc/24/43/01/332244301.db2.gz BOGFWBXLCWAZLA-WFASDCNBSA-N 1 2 285.322 2.464 20 30 CEEDLO C#CCNC(=O)CCNc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000491632037 332254147 /nfs/dbraw/zinc/25/41/47/332254147.db2.gz OLHNYUSXTDFSSH-UHFFFAOYSA-N 1 2 296.374 2.041 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000491654043 332266453 /nfs/dbraw/zinc/26/64/53/332266453.db2.gz OSMCDRMPNKIZQI-LBPRGKRZSA-N 1 2 292.766 2.003 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000491654043 332266454 /nfs/dbraw/zinc/26/64/54/332266454.db2.gz OSMCDRMPNKIZQI-LBPRGKRZSA-N 1 2 292.766 2.003 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000491675076 332280824 /nfs/dbraw/zinc/28/08/24/332280824.db2.gz YNLGVSBNVMQNPF-ZBFHGGJFSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000491675076 332280825 /nfs/dbraw/zinc/28/08/25/332280825.db2.gz YNLGVSBNVMQNPF-ZBFHGGJFSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000491681273 332284703 /nfs/dbraw/zinc/28/47/03/332284703.db2.gz MDWWFSLMVOQYPM-VIFPVBQESA-N 1 2 275.377 2.129 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000491681273 332284704 /nfs/dbraw/zinc/28/47/04/332284704.db2.gz MDWWFSLMVOQYPM-VIFPVBQESA-N 1 2 275.377 2.129 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cn(C)nc1C)c1ccc(F)cc1 ZINC000491773392 332339492 /nfs/dbraw/zinc/33/94/92/332339492.db2.gz UXVNUGFCHJQOHZ-HNNXBMFYSA-N 1 2 257.312 2.332 20 30 CEEDLO C#C[C@@H](C)N(C)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000491779777 332344495 /nfs/dbraw/zinc/34/44/95/332344495.db2.gz KSDDDQLGEDHDBI-GFCCVEGCSA-N 1 2 277.331 2.273 20 30 CEEDLO C#CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492815717 332414786 /nfs/dbraw/zinc/41/47/86/332414786.db2.gz XQOIYKPGXQOTBA-FEAKQIBJSA-N 1 2 265.316 2.304 20 30 CEEDLO CC#CCCCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000183799954 333122743 /nfs/dbraw/zinc/12/27/43/333122743.db2.gz LQGDAHFWPJSFDW-UHFFFAOYSA-N 1 2 269.348 2.453 20 30 CEEDLO N#CCCCOc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000183878479 333123206 /nfs/dbraw/zinc/12/32/06/333123206.db2.gz DOVRKOIAIZIHOE-UHFFFAOYSA-N 1 2 284.306 2.086 20 30 CEEDLO C#CC[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CCCC1 ZINC000191425436 333219632 /nfs/dbraw/zinc/21/96/32/333219632.db2.gz OUDTWHGNDWKNQO-UHFFFAOYSA-N 1 2 260.385 2.411 20 30 CEEDLO C#CC[N@H+](Cc1cn(C(C)(C)C)nn1)C1CCCC1 ZINC000191425436 333219633 /nfs/dbraw/zinc/21/96/33/333219633.db2.gz OUDTWHGNDWKNQO-UHFFFAOYSA-N 1 2 260.385 2.411 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)Nc1ccn(CCC#N)n1 ZINC000191592541 333222030 /nfs/dbraw/zinc/22/20/30/333222030.db2.gz GFZVKANNNIQNNR-UHFFFAOYSA-N 1 2 270.296 2.144 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000192225595 333232840 /nfs/dbraw/zinc/23/28/40/333232840.db2.gz VUTWGISVGJZDPG-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000192225595 333232841 /nfs/dbraw/zinc/23/28/41/333232841.db2.gz VUTWGISVGJZDPG-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000192233652 333232926 /nfs/dbraw/zinc/23/29/26/333232926.db2.gz RDVHBSRQQUCSAN-UHFFFAOYSA-N 1 2 281.237 2.219 20 30 CEEDLO C#CC[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000192233652 333232928 /nfs/dbraw/zinc/23/29/28/333232928.db2.gz RDVHBSRQQUCSAN-UHFFFAOYSA-N 1 2 281.237 2.219 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000192226432 333233151 /nfs/dbraw/zinc/23/31/51/333233151.db2.gz VMHYEHLTVIRVJA-KBPBESRZSA-N 1 2 270.376 2.308 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000192226432 333233153 /nfs/dbraw/zinc/23/31/53/333233153.db2.gz VMHYEHLTVIRVJA-KBPBESRZSA-N 1 2 270.376 2.308 20 30 CEEDLO CCO[C@H](C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541020012 333759324 /nfs/dbraw/zinc/75/93/24/333759324.db2.gz GXBPCWVEJJDAHJ-LLVKDONJSA-N 1 2 278.356 2.293 20 30 CEEDLO N#CCC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000541947854 333803131 /nfs/dbraw/zinc/80/31/31/333803131.db2.gz BUXVJVGCMPRVNE-UHFFFAOYSA-N 1 2 254.284 2.404 20 30 CEEDLO C=C(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548653999 334165292 /nfs/dbraw/zinc/16/52/92/334165292.db2.gz TZKNOQQIHYNEIU-CQSZACIVSA-N 1 2 284.363 2.385 20 30 CEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062804 334177866 /nfs/dbraw/zinc/17/78/66/334177866.db2.gz NOEZRSGZSJMRQS-DZGCQCFKSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062804 334177867 /nfs/dbraw/zinc/17/78/67/334177867.db2.gz NOEZRSGZSJMRQS-DZGCQCFKSA-N 1 2 277.412 2.307 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000565174351 334542891 /nfs/dbraw/zinc/54/28/91/334542891.db2.gz QCJMGVZBFBOMLT-XJFOESAGSA-N 1 2 265.401 2.209 20 30 CEEDLO Cc1ccc2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2n1 ZINC000569302282 334865943 /nfs/dbraw/zinc/86/59/43/334865943.db2.gz GHZZBHBVYVSCEN-KRWDZBQOSA-N 1 2 296.374 2.117 20 30 CEEDLO N#CCc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000342711719 335186019 /nfs/dbraw/zinc/18/60/19/335186019.db2.gz QWCWUOBAAVBYTI-UHFFFAOYSA-N 1 2 297.324 2.433 20 30 CEEDLO N#CCC1(C[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000577117504 335303015 /nfs/dbraw/zinc/30/30/15/335303015.db2.gz VRVWHWRGBLLNLB-CQSZACIVSA-N 1 2 285.326 2.317 20 30 CEEDLO CCCNC(=O)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000577289615 335335926 /nfs/dbraw/zinc/33/59/26/335335926.db2.gz BBLQOVJANMPNRS-UHFFFAOYSA-N 1 2 288.395 2.104 20 30 CEEDLO CCCNC(=O)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000577289615 335335927 /nfs/dbraw/zinc/33/59/27/335335927.db2.gz BBLQOVJANMPNRS-UHFFFAOYSA-N 1 2 288.395 2.104 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H]1CCCc2ccccc21 ZINC000577401119 335348953 /nfs/dbraw/zinc/34/89/53/335348953.db2.gz ZQFWPIMPKCHTPH-CRAIPNDOSA-N 1 2 299.418 2.457 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc2cc(F)ccc12 ZINC000578753960 335670632 /nfs/dbraw/zinc/67/06/32/335670632.db2.gz LSXMFUYRXYVCAF-OAHLLOKOSA-N 1 2 289.310 2.146 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000874900925 649865981 /nfs/dbraw/zinc/86/59/81/649865981.db2.gz CCCBCPNRFUUVQI-NSHDSACASA-N 1 2 298.321 2.403 20 30 CEEDLO Cc1noc(C)c1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329484321 534367928 /nfs/dbraw/zinc/36/79/28/534367928.db2.gz SGYOIPYEGJHXCZ-LLVKDONJSA-N 1 2 289.339 2.440 20 30 CEEDLO COc1cc(C(=O)/C=C/c2[nH]cc[nH+]2)cc(OC)c1OC ZINC000067647688 522050703 /nfs/dbraw/zinc/05/07/03/522050703.db2.gz UKGOCGBQTFDUAI-SNAWJCMRSA-N 1 2 288.303 2.332 20 30 CEEDLO Cn1nccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000155393862 523465702 /nfs/dbraw/zinc/46/57/02/523465702.db2.gz KVQVAYHYOAYLHG-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO Cn1nccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000155393862 523465707 /nfs/dbraw/zinc/46/57/07/523465707.db2.gz KVQVAYHYOAYLHG-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO O=C(N[C@@H]1CCCOCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329254909 534760853 /nfs/dbraw/zinc/76/08/53/534760853.db2.gz DEQJPJVSURXPFX-CYBMUJFWSA-N 1 2 292.383 2.072 20 30 CEEDLO O=C(N[C@@H]1CCCOCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329254909 534760855 /nfs/dbraw/zinc/76/08/55/534760855.db2.gz DEQJPJVSURXPFX-CYBMUJFWSA-N 1 2 292.383 2.072 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCS2)CCO1 ZINC000330282662 534814400 /nfs/dbraw/zinc/81/44/00/534814400.db2.gz ATTUVCRRWMXJFC-KGYLQXTDSA-N 1 2 295.408 2.492 20 30 CEEDLO Cc1ccc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)nc1C#N ZINC000364988325 525974978 /nfs/dbraw/zinc/97/49/78/525974978.db2.gz XLKHRULNZXCRJH-CQSZACIVSA-N 1 2 293.374 2.160 20 30 CEEDLO C=C(C)CN(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000352145265 526490132 /nfs/dbraw/zinc/49/01/32/526490132.db2.gz KVNUDIGNOKEEES-UHFFFAOYSA-N 1 2 290.289 2.163 20 30 CEEDLO C=CC1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000334895689 526963828 /nfs/dbraw/zinc/96/38/28/526963828.db2.gz SZSVCPLMEHFBPS-UHFFFAOYSA-N 1 2 269.348 2.301 20 30 CEEDLO C=CCCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347266851 527185270 /nfs/dbraw/zinc/18/52/70/527185270.db2.gz GPFBXQQIYZBHOY-CYBMUJFWSA-N 1 2 276.384 2.479 20 30 CEEDLO Cn1cc[nH+]c1CN=Nc1nccc2sccc21 ZINC000727256320 574449583 /nfs/dbraw/zinc/44/95/83/574449583.db2.gz XPMHIMDJKZLTGH-UHFFFAOYSA-N 1 2 257.322 2.476 20 30 CEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000727838864 574456854 /nfs/dbraw/zinc/45/68/54/574456854.db2.gz VXUGPDNMFXOUDC-JTQLQIEISA-N 1 2 272.308 2.131 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC000728481803 574466578 /nfs/dbraw/zinc/46/65/78/574466578.db2.gz XZBJRBZORQLGGM-UHFFFAOYSA-N 1 2 267.332 2.308 20 30 CEEDLO C[C@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000020887408 649893129 /nfs/dbraw/zinc/89/31/29/649893129.db2.gz KMGVNZAFONEEDV-JSGCOSHPSA-N 1 2 289.379 2.018 20 30 CEEDLO C#Cc1ccc(C(=O)OCc2cn3cccc(C)c3[nH+]2)nc1 ZINC000729006783 574475850 /nfs/dbraw/zinc/47/58/50/574475850.db2.gz JNRGKYCFIIZQJG-UHFFFAOYSA-N 1 2 291.310 2.376 20 30 CEEDLO C#CCOc1cccc(Oc2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000740868238 574483157 /nfs/dbraw/zinc/48/31/57/574483157.db2.gz DHAMMZXCBPCLNF-UHFFFAOYSA-N 1 2 292.298 2.467 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000730279999 574513380 /nfs/dbraw/zinc/51/33/80/574513380.db2.gz WNPGESKERZZDSI-STQMWFEESA-N 1 2 276.405 2.331 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000730279999 574513381 /nfs/dbraw/zinc/51/33/81/574513381.db2.gz WNPGESKERZZDSI-STQMWFEESA-N 1 2 276.405 2.331 20 30 CEEDLO FC(F)CO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000758904764 574515688 /nfs/dbraw/zinc/51/56/88/574515688.db2.gz VSBBPNUXGKPMIB-UHFFFAOYSA-N 1 2 276.308 2.200 20 30 CEEDLO N#Cc1ccc(NCCNc2cc[nH+]c(C3CC3)n2)nc1 ZINC000731920644 574606447 /nfs/dbraw/zinc/60/64/47/574606447.db2.gz PRYFQJVDHYOGIO-UHFFFAOYSA-N 1 2 280.335 2.145 20 30 CEEDLO C=CCc1cc(OC)cc(C[N@H+](CC)CC(=O)OC)c1O ZINC000754727086 574602213 /nfs/dbraw/zinc/60/22/13/574602213.db2.gz NXKPRJFFANOECF-UHFFFAOYSA-N 1 2 293.363 2.124 20 30 CEEDLO C=CCc1cc(OC)cc(C[N@@H+](CC)CC(=O)OC)c1O ZINC000754727086 574602215 /nfs/dbraw/zinc/60/22/15/574602215.db2.gz NXKPRJFFANOECF-UHFFFAOYSA-N 1 2 293.363 2.124 20 30 CEEDLO Cc1cccn2cc(CC(=O)OCCCC#N)[nH+]c12 ZINC000731914365 574605859 /nfs/dbraw/zinc/60/58/59/574605859.db2.gz ZVARWBICYDFCFR-UHFFFAOYSA-N 1 2 257.293 2.032 20 30 CEEDLO C=CC[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000734653114 574724035 /nfs/dbraw/zinc/72/40/35/574724035.db2.gz ZCXITWFMEURAMH-UKRRQHHQSA-N 1 2 299.378 2.283 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cn2ccccc2c1C#N ZINC000745082993 575132503 /nfs/dbraw/zinc/13/25/03/575132503.db2.gz SUSARXRABDVTJY-INIZCTEOSA-N 1 2 297.358 2.338 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cn2ccccc2c1C#N ZINC000745082993 575132504 /nfs/dbraw/zinc/13/25/04/575132504.db2.gz SUSARXRABDVTJY-INIZCTEOSA-N 1 2 297.358 2.338 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000746456769 575156458 /nfs/dbraw/zinc/15/64/58/575156458.db2.gz IGFLJWMYWNRJRR-UHFFFAOYSA-N 1 2 287.388 2.498 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000746456769 575156460 /nfs/dbraw/zinc/15/64/60/575156460.db2.gz IGFLJWMYWNRJRR-UHFFFAOYSA-N 1 2 287.388 2.498 20 30 CEEDLO COc1ccc(CNc2cc[nH+]c(C)n2)cc1C#N ZINC000746709633 575163257 /nfs/dbraw/zinc/16/32/57/575163257.db2.gz DHQKNALZOQKZIW-UHFFFAOYSA-N 1 2 254.293 2.277 20 30 CEEDLO Cc1ncsc1CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000747864555 575176053 /nfs/dbraw/zinc/17/60/53/575176053.db2.gz PCMSQPJCLZFAEW-UHFFFAOYSA-N 1 2 279.340 2.470 20 30 CEEDLO COC(=O)/C(C)=C\C[N@H+](CCC#N)CCC(C)C ZINC000748826021 575198691 /nfs/dbraw/zinc/19/86/91/575198691.db2.gz ZJKGICLEHCQZEQ-QPEQYQDCSA-N 1 2 252.358 2.367 20 30 CEEDLO COC(=O)/C(C)=C\C[N@@H+](CCC#N)CCC(C)C ZINC000748826021 575198692 /nfs/dbraw/zinc/19/86/92/575198692.db2.gz ZJKGICLEHCQZEQ-QPEQYQDCSA-N 1 2 252.358 2.367 20 30 CEEDLO C#CC[NH+](CC#C)CC(=O)NCCCC1CCCCC1 ZINC000752302479 575307942 /nfs/dbraw/zinc/30/79/42/575307942.db2.gz MJBJQMPJJIKGNB-UHFFFAOYSA-N 1 2 274.408 2.032 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875461929 649910760 /nfs/dbraw/zinc/91/07/60/649910760.db2.gz HUURCRYONFQJFS-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875461929 649910761 /nfs/dbraw/zinc/91/07/61/649910761.db2.gz HUURCRYONFQJFS-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC000950566860 613296372 /nfs/dbraw/zinc/29/63/72/613296372.db2.gz XJRSOTJXGFMWGB-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC000951627047 613296479 /nfs/dbraw/zinc/29/64/79/613296479.db2.gz YPUKXOBVUSJJKF-UHFFFAOYSA-N 1 2 281.787 2.391 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC000949241445 613319758 /nfs/dbraw/zinc/31/97/58/613319758.db2.gz XEEGDEWTYQZBIY-WBVHZDCISA-N 1 2 292.423 2.056 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2nc(C3CC3)oc2C)CC1 ZINC000956961173 613322355 /nfs/dbraw/zinc/32/23/55/613322355.db2.gz PIIRWTRXIFFEIK-UHFFFAOYSA-N 1 2 289.379 2.194 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC2(C)C)C1 ZINC000969500806 613372119 /nfs/dbraw/zinc/37/21/19/613372119.db2.gz XDEIMJYGQINFPQ-CMPLNLGQSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC000981421975 613373662 /nfs/dbraw/zinc/37/36/62/613373662.db2.gz VMUAIKRBTQJIFY-NSHDSACASA-N 1 2 292.757 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC000981421975 613373663 /nfs/dbraw/zinc/37/36/63/613373663.db2.gz VMUAIKRBTQJIFY-NSHDSACASA-N 1 2 292.757 2.319 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000950051861 613474006 /nfs/dbraw/zinc/47/40/06/613474006.db2.gz XCYKEAXQPMDXFG-KRWDZBQOSA-N 1 2 294.439 2.302 20 30 CEEDLO C=CCC[NH+]1CCN(C(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC000949083531 613512606 /nfs/dbraw/zinc/51/26/06/613512606.db2.gz HMZUAOBSXBMVSG-UHFFFAOYSA-N 1 2 298.390 2.205 20 30 CEEDLO C=CCC[NH+]1CCN(C(=O)c2scnc2Cl)CC1 ZINC000957676189 613513282 /nfs/dbraw/zinc/51/32/82/613513282.db2.gz UQUOILXKBFXOHW-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccc(CC)cc2)CC1 ZINC000957619550 613562060 /nfs/dbraw/zinc/56/20/60/613562060.db2.gz ADMAPEMSXGPZPR-UHFFFAOYSA-N 1 2 298.430 2.349 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]2C(F)F)C1 ZINC000950509086 613655566 /nfs/dbraw/zinc/65/55/66/613655566.db2.gz XSVPOSCYHVTBIF-OLZOCXBDSA-N 1 2 286.366 2.387 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000957343695 613657788 /nfs/dbraw/zinc/65/77/88/613657788.db2.gz XWDOVTBJVOJFJE-UHFFFAOYSA-N 1 2 299.418 2.011 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000950332813 613711871 /nfs/dbraw/zinc/71/18/71/613711871.db2.gz UUWPMLGBDPCPES-HIFRSBDPSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3c2cccc3Cl)CC1 ZINC000957849543 613711875 /nfs/dbraw/zinc/71/18/75/613711875.db2.gz JIYVJKNOWWZEMI-CQSZACIVSA-N 1 2 290.794 2.310 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000949925217 613712576 /nfs/dbraw/zinc/71/25/76/613712576.db2.gz WIGHFRCBGWMWFN-KBPBESRZSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000956975464 613713556 /nfs/dbraw/zinc/71/35/56/613713556.db2.gz XBPYZUCVUWZGJP-IEBWSBKVSA-N 1 2 296.414 2.221 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)CC1 ZINC000948992331 613714131 /nfs/dbraw/zinc/71/41/31/613714131.db2.gz AUGUDZVWVXONHL-YQVWRLOYSA-N 1 2 296.414 2.293 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)nc2C2CC2)CC1 ZINC000949510697 613715798 /nfs/dbraw/zinc/71/57/98/613715798.db2.gz YSFBKXZACMVSPZ-UHFFFAOYSA-N 1 2 285.391 2.211 20 30 CEEDLO CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000970906042 614637945 /nfs/dbraw/zinc/63/79/45/614637945.db2.gz XXHOHNVTJRFBBJ-OAHLLOKOSA-N 1 2 289.354 2.140 20 30 CEEDLO CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000970906042 614637947 /nfs/dbraw/zinc/63/79/47/614637947.db2.gz XXHOHNVTJRFBBJ-OAHLLOKOSA-N 1 2 289.354 2.140 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001024453379 625561162 /nfs/dbraw/zinc/56/11/62/625561162.db2.gz IROAPMZHKVCJBN-CYBMUJFWSA-N 1 2 281.787 2.352 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001024453379 625561169 /nfs/dbraw/zinc/56/11/69/625561169.db2.gz IROAPMZHKVCJBN-CYBMUJFWSA-N 1 2 281.787 2.352 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000890655593 622757083 /nfs/dbraw/zinc/75/70/83/622757083.db2.gz OPZWFJOEDZGLDG-NEPJUHHUSA-N 1 2 299.296 2.391 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000890812148 622997218 /nfs/dbraw/zinc/99/72/18/622997218.db2.gz RXRXHZYDLGLCNZ-CYBMUJFWSA-N 1 2 261.369 2.260 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2csc(C)n2)cc1 ZINC000049441860 623325894 /nfs/dbraw/zinc/32/58/94/623325894.db2.gz IIMCHMLYHZILPH-UHFFFAOYSA-N 1 2 277.349 2.297 20 30 CEEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000933216909 623541747 /nfs/dbraw/zinc/54/17/47/623541747.db2.gz GRJKULJZNPZFOW-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000933216909 623541750 /nfs/dbraw/zinc/54/17/50/623541750.db2.gz GRJKULJZNPZFOW-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000255124843 623574308 /nfs/dbraw/zinc/57/43/08/623574308.db2.gz OPALCXBLPYZCDN-FPLPWBNLSA-N 1 2 288.778 2.131 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccoc1)C1CC1)C1CC1 ZINC000934004741 624158705 /nfs/dbraw/zinc/15/87/05/624158705.db2.gz VEEISKVVQPZIRH-INIZCTEOSA-N 1 2 287.363 2.052 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccoc1)C1CC1)C1CC1 ZINC000934004741 624158706 /nfs/dbraw/zinc/15/87/06/624158706.db2.gz VEEISKVVQPZIRH-INIZCTEOSA-N 1 2 287.363 2.052 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CO)c(C(F)(F)F)c1 ZINC000934013466 624162450 /nfs/dbraw/zinc/16/24/50/624162450.db2.gz WFPIFGBBAJMOLY-NSHDSACASA-N 1 2 270.254 2.144 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CO)c(C(F)(F)F)c1 ZINC000934013466 624162452 /nfs/dbraw/zinc/16/24/52/624162452.db2.gz WFPIFGBBAJMOLY-NSHDSACASA-N 1 2 270.254 2.144 20 30 CEEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1csc(C#N)c1 ZINC000892101605 624317345 /nfs/dbraw/zinc/31/73/45/624317345.db2.gz OKBSOMXTDHTPDM-NSHDSACASA-N 1 2 296.417 2.100 20 30 CEEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1csc(C#N)c1 ZINC000892101605 624317353 /nfs/dbraw/zinc/31/73/53/624317353.db2.gz OKBSOMXTDHTPDM-NSHDSACASA-N 1 2 296.417 2.100 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934417795 624488375 /nfs/dbraw/zinc/48/83/75/624488375.db2.gz SKXMNVGPMJFADF-CYBMUJFWSA-N 1 2 298.390 2.199 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934417795 624488377 /nfs/dbraw/zinc/48/83/77/624488377.db2.gz SKXMNVGPMJFADF-CYBMUJFWSA-N 1 2 298.390 2.199 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2cc(C)sc2n1 ZINC000934520346 624558222 /nfs/dbraw/zinc/55/82/22/624558222.db2.gz ZXTNBTNVAVAXDW-ZDUSSCGKSA-N 1 2 287.388 2.052 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(C)sc2n1 ZINC000934520346 624558225 /nfs/dbraw/zinc/55/82/25/624558225.db2.gz ZXTNBTNVAVAXDW-ZDUSSCGKSA-N 1 2 287.388 2.052 20 30 CEEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1cccc(Cl)c1 ZINC000743852707 624925693 /nfs/dbraw/zinc/92/56/93/624925693.db2.gz AZJIWDFZMGHCBD-OAHLLOKOSA-N 1 2 261.752 2.332 20 30 CEEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1cccc(Cl)c1 ZINC000743852707 624925695 /nfs/dbraw/zinc/92/56/95/624925695.db2.gz AZJIWDFZMGHCBD-OAHLLOKOSA-N 1 2 261.752 2.332 20 30 CEEDLO C#CCOc1ccc(C[NH2+][C@@H](C)c2nonc2C)cc1 ZINC000926529272 624992081 /nfs/dbraw/zinc/99/20/81/624992081.db2.gz DNXDKBILFSIUJY-NSHDSACASA-N 1 2 271.320 2.241 20 30 CEEDLO CC[C@@H]([NH2+]C1CCN(OC)CC1)c1cccc(C#N)c1O ZINC000926605976 625258366 /nfs/dbraw/zinc/25/83/66/625258366.db2.gz GLVXKVDZNWLVRQ-OAHLLOKOSA-N 1 2 289.379 2.330 20 30 CEEDLO CC(C)C[C@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000177459992 625731237 /nfs/dbraw/zinc/73/12/37/625731237.db2.gz UEYDMWBYOPOISY-ZDUSSCGKSA-N 1 2 291.395 2.217 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCO1 ZINC000820599419 634469009 /nfs/dbraw/zinc/46/90/09/634469009.db2.gz SULWVYUJQRDGDA-CYBMUJFWSA-N 1 2 260.337 2.465 20 30 CEEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2ccccc2)no1 ZINC000171729192 627736114 /nfs/dbraw/zinc/73/61/14/627736114.db2.gz CDZBTLRGUIBGIT-UHFFFAOYSA-N 1 2 274.324 2.204 20 30 CEEDLO C=CCCCN(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000892757397 627752310 /nfs/dbraw/zinc/75/23/10/627752310.db2.gz INDCVJVJQMHQAA-UHFFFAOYSA-N 1 2 297.443 2.095 20 30 CEEDLO C=CCCCN(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000892757397 627752313 /nfs/dbraw/zinc/75/23/13/627752313.db2.gz INDCVJVJQMHQAA-UHFFFAOYSA-N 1 2 297.443 2.095 20 30 CEEDLO N#Cc1cc(CN2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000893419650 628595596 /nfs/dbraw/zinc/59/55/96/628595596.db2.gz WHPZCDMEFWFSCM-UHFFFAOYSA-N 1 2 298.415 2.333 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000893524531 628676220 /nfs/dbraw/zinc/67/62/20/628676220.db2.gz NJOTZSDSUWYYGU-HZSPNIEDSA-N 1 2 282.359 2.246 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000893524531 628676221 /nfs/dbraw/zinc/67/62/21/628676221.db2.gz NJOTZSDSUWYYGU-HZSPNIEDSA-N 1 2 282.359 2.246 20 30 CEEDLO C=CCCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893574322 628752471 /nfs/dbraw/zinc/75/24/71/628752471.db2.gz WCJYNVXUWWFTNT-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO C=CCCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893574322 628752476 /nfs/dbraw/zinc/75/24/76/628752476.db2.gz WCJYNVXUWWFTNT-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC000821340472 634689216 /nfs/dbraw/zinc/68/92/16/634689216.db2.gz ZATZLAXJISCJFW-KFWWJZLASA-N 1 2 279.343 2.394 20 30 CEEDLO C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC000821340472 634689218 /nfs/dbraw/zinc/68/92/18/634689218.db2.gz ZATZLAXJISCJFW-KFWWJZLASA-N 1 2 279.343 2.394 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nccc3c2CCCC3)C1=O ZINC000894230935 629241237 /nfs/dbraw/zinc/24/12/37/629241237.db2.gz KAYCOTFPSRZTQV-QGZVFWFLSA-N 1 2 299.418 2.179 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nccc3c2CCCC3)C1=O ZINC000894230935 629241240 /nfs/dbraw/zinc/24/12/40/629241240.db2.gz KAYCOTFPSRZTQV-QGZVFWFLSA-N 1 2 299.418 2.179 20 30 CEEDLO Cc1cccnc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000795279894 629506567 /nfs/dbraw/zinc/50/65/67/629506567.db2.gz INMCBVBIJSNWEO-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO Cc1cccnc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000795279894 629506570 /nfs/dbraw/zinc/50/65/70/629506570.db2.gz INMCBVBIJSNWEO-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H](C(F)F)CC1=O ZINC000795408819 629543127 /nfs/dbraw/zinc/54/31/27/629543127.db2.gz MIJPLLIEDXLBQF-ZDUSSCGKSA-N 1 2 293.317 2.061 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H](C(F)F)CC1=O ZINC000795408819 629543132 /nfs/dbraw/zinc/54/31/32/629543132.db2.gz MIJPLLIEDXLBQF-ZDUSSCGKSA-N 1 2 293.317 2.061 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cccc3c2NCCC3)nn1 ZINC000895052482 629824809 /nfs/dbraw/zinc/82/48/09/629824809.db2.gz RRELWRLOKNRSOE-UHFFFAOYSA-N 1 2 283.379 2.112 20 30 CEEDLO Cc1cc[nH+]c(N)c1CN1Cc2ccc(C#N)cc2C1 ZINC000895189052 630020083 /nfs/dbraw/zinc/02/00/83/630020083.db2.gz SEPYPJWCRLXJDT-UHFFFAOYSA-N 1 2 264.332 2.360 20 30 CEEDLO C=CCOCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000797324642 630213516 /nfs/dbraw/zinc/21/35/16/630213516.db2.gz FDPISUCPUKDUTC-CQSZACIVSA-N 1 2 263.337 2.035 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)NCC#Cc2ccccc2)c[nH+]1 ZINC000895563952 630251274 /nfs/dbraw/zinc/25/12/74/630251274.db2.gz PKMALAZTXYKGBQ-UHFFFAOYSA-N 1 2 281.359 2.095 20 30 CEEDLO C=C(C)C[C@@H](NCc1cccc2[nH+]ccn21)C(=O)OCC ZINC000895599332 630266000 /nfs/dbraw/zinc/26/60/00/630266000.db2.gz XLVFLFAUISEJJR-CQSZACIVSA-N 1 2 287.363 2.322 20 30 CEEDLO C#CCN1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000895747195 630323341 /nfs/dbraw/zinc/32/33/41/630323341.db2.gz FJCMZUZYDRUUNG-LBPRGKRZSA-N 1 2 296.773 2.372 20 30 CEEDLO Cc1nn(C)c2nc(Cl)c(C[NH2+]CC3(C#N)CC3)cc12 ZINC000797605906 630399189 /nfs/dbraw/zinc/39/91/89/630399189.db2.gz YEYFAFMEWIDROG-UHFFFAOYSA-N 1 2 289.770 2.324 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000895964902 630420698 /nfs/dbraw/zinc/42/06/98/630420698.db2.gz ZTPYGJFEIIRVLU-OAHLLOKOSA-N 1 2 272.348 2.046 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000895964902 630420701 /nfs/dbraw/zinc/42/07/01/630420701.db2.gz ZTPYGJFEIIRVLU-OAHLLOKOSA-N 1 2 272.348 2.046 20 30 CEEDLO C=C[C@](C)(O)Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000896065518 630455629 /nfs/dbraw/zinc/45/56/29/630455629.db2.gz JPQYIXMJJMDRGH-INIZCTEOSA-N 1 2 298.346 2.096 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000896500281 630582611 /nfs/dbraw/zinc/58/26/11/630582611.db2.gz BVWUQTGKSYAIAP-ZDUSSCGKSA-N 1 2 252.321 2.365 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000896500281 630582613 /nfs/dbraw/zinc/58/26/13/630582613.db2.gz BVWUQTGKSYAIAP-ZDUSSCGKSA-N 1 2 252.321 2.365 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)c(C)n1)C2 ZINC000896654484 630627333 /nfs/dbraw/zinc/62/73/33/630627333.db2.gz MGWIFZGIDWVTLP-UHFFFAOYSA-N 1 2 267.336 2.041 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCc2cn(C)cn2)c1O ZINC000840712108 630933158 /nfs/dbraw/zinc/93/31/58/630933158.db2.gz VSKMUDBCDYBCJI-CXUHLZMHSA-N 1 2 273.336 2.186 20 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ZINC000835016663 638023856 /nfs/dbraw/zinc/02/38/56/638023856.db2.gz MQDOAUJCBDDTLR-CYBMUJFWSA-N 1 2 290.392 2.425 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777686 638148682 /nfs/dbraw/zinc/14/86/82/638148682.db2.gz MMJTXVJMEOOQIZ-QGZVFWFLSA-N 1 2 297.402 2.413 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777686 638148689 /nfs/dbraw/zinc/14/86/89/638148689.db2.gz MMJTXVJMEOOQIZ-QGZVFWFLSA-N 1 2 297.402 2.413 20 30 CEEDLO C=CCC1(C(=O)O[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000835265055 638151572 /nfs/dbraw/zinc/15/15/72/638151572.db2.gz NCFDEDXFTMTBSM-AWEZNQCLSA-N 1 2 281.396 2.387 20 30 CEEDLO C#CCCOc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000835325479 638192472 /nfs/dbraw/zinc/19/24/72/638192472.db2.gz VTXPOXVFZLNJIP-UHFFFAOYSA-N 1 2 298.342 2.222 20 30 CEEDLO Cc1cc(C)c(C(=O)NCC2(C#N)CCC2)c(C)[nH+]1 ZINC000910944234 638202409 /nfs/dbraw/zinc/20/24/09/638202409.db2.gz MZTQAMDYUFPMEP-UHFFFAOYSA-N 1 2 257.337 2.431 20 30 CEEDLO C=C(CC)CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000836265326 638588977 /nfs/dbraw/zinc/58/89/77/638588977.db2.gz CABZUTBZIAIQMA-UHFFFAOYSA-N 1 2 277.368 2.472 20 30 CEEDLO C[C@@H](CC(=O)NCCC#C[Si](C)(C)C)n1cc[nH+]c1 ZINC000912330243 638641571 /nfs/dbraw/zinc/64/15/71/638641571.db2.gz KTQBIQCVLJTASS-ZDUSSCGKSA-N 1 2 277.444 2.221 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2cnccc2c1 ZINC000837227978 639137028 /nfs/dbraw/zinc/13/70/28/639137028.db2.gz XOIHXOFHILWNFS-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2cnccc2c1 ZINC000837227978 639137034 /nfs/dbraw/zinc/13/70/34/639137034.db2.gz XOIHXOFHILWNFS-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000837378203 639208176 /nfs/dbraw/zinc/20/81/76/639208176.db2.gz KQEHHNNSBGFNIS-UHFFFAOYSA-N 1 2 259.353 2.096 20 30 CEEDLO NC(=[NH+]OCc1noc2c1CCCC2)c1ccccc1 ZINC000172411404 639764155 /nfs/dbraw/zinc/76/41/55/639764155.db2.gz WXBNRPWZPLAGSI-UHFFFAOYSA-N 1 2 271.320 2.391 20 30 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2.116 20 30 CEEDLO C#CCCC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000863368448 646713862 /nfs/dbraw/zinc/71/38/62/646713862.db2.gz JZGVHUMYVFMCII-OAHLLOKOSA-N 1 2 277.339 2.303 20 30 CEEDLO COC(=O)c1cccc(C[N@H+](CCC#N)CC(C)C)n1 ZINC000773754158 646773476 /nfs/dbraw/zinc/77/34/76/646773476.db2.gz OXLHKLPGONTRTH-UHFFFAOYSA-N 1 2 275.352 2.240 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+](CCC#N)CC(C)C)n1 ZINC000773754158 646773478 /nfs/dbraw/zinc/77/34/78/646773478.db2.gz OXLHKLPGONTRTH-UHFFFAOYSA-N 1 2 275.352 2.240 20 30 CEEDLO C[C@@H]([NH2+]CC(=O)NCCC#N)c1c(F)cccc1Cl ZINC000775549984 646964801 /nfs/dbraw/zinc/96/48/01/646964801.db2.gz VXVWMBJLBBKPLJ-SECBINFHSA-N 1 2 283.734 2.160 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1ccoc1C(=O)OC ZINC000776177475 647031952 /nfs/dbraw/zinc/03/19/52/647031952.db2.gz PHYRDJWTVHTJIC-UHFFFAOYSA-N 1 2 299.326 2.368 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2coc(C#N)c2)c1C ZINC000865051899 647167129 /nfs/dbraw/zinc/16/71/29/647167129.db2.gz YEONUYZMBICHFP-UHFFFAOYSA-N 1 2 299.330 2.444 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000777961026 647192506 /nfs/dbraw/zinc/19/25/06/647192506.db2.gz RPDMKSYDYUBQIY-MRXNPFEDSA-N 1 2 293.411 2.343 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000777961026 647192511 /nfs/dbraw/zinc/19/25/11/647192511.db2.gz RPDMKSYDYUBQIY-MRXNPFEDSA-N 1 2 293.411 2.343 20 30 CEEDLO CC(C)n1cc(CNc2[nH]c3ccc(C#N)cc3[nH+]2)nn1 ZINC000865296278 647236641 /nfs/dbraw/zinc/23/66/41/647236641.db2.gz TWUNUFWWCADNEL-UHFFFAOYSA-N 1 2 281.323 2.219 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](C)CC1=O ZINC000778589717 647245970 /nfs/dbraw/zinc/24/59/70/647245970.db2.gz UBFHXVIVEBEFHF-ZDUSSCGKSA-N 1 2 262.353 2.136 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](C)CC1=O ZINC000778589717 647245972 /nfs/dbraw/zinc/24/59/72/647245972.db2.gz UBFHXVIVEBEFHF-ZDUSSCGKSA-N 1 2 262.353 2.136 20 30 CEEDLO CCC[C@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779879037 647368166 /nfs/dbraw/zinc/36/81/66/647368166.db2.gz 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HUDSLJXNKRXDMT-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO CC1(C)SC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781571333 647538893 /nfs/dbraw/zinc/53/88/93/647538893.db2.gz DKHNPSASCYNBIV-UHFFFAOYSA-N 1 2 281.381 2.044 20 30 CEEDLO C#CC[C@H](CCOC)Nc1cc(NCCC)[nH+]cn1 ZINC000865977951 647560487 /nfs/dbraw/zinc/56/04/87/647560487.db2.gz WUYVMAKQHINEHW-GFCCVEGCSA-N 1 2 262.357 2.139 20 30 CEEDLO C#CC[C@H](CCOC)Nc1cc(NCCC)nc[nH+]1 ZINC000865977951 647560489 /nfs/dbraw/zinc/56/04/89/647560489.db2.gz WUYVMAKQHINEHW-GFCCVEGCSA-N 1 2 262.357 2.139 20 30 CEEDLO NC(=[NH+]OCCOC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000782313316 647612317 /nfs/dbraw/zinc/61/23/17/647612317.db2.gz LBPFTZOQMMDMFR-CYBMUJFWSA-N 1 2 298.770 2.173 20 30 CEEDLO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866240564 647688249 /nfs/dbraw/zinc/68/82/49/647688249.db2.gz IUCJLIMTHCZMPJ-YPMHNXCESA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(C#N)c1O ZINC000866285266 647717420 /nfs/dbraw/zinc/71/74/20/647717420.db2.gz LPQHTYDGDYQINX-GXFFZTMASA-N 1 2 282.347 2.195 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(C#N)c1O ZINC000866348132 647749607 /nfs/dbraw/zinc/74/96/07/647749607.db2.gz NPGXQDITPXHEAL-COPLHBTASA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000866364704 647757554 /nfs/dbraw/zinc/75/75/54/647757554.db2.gz TXEODDIBWROKLP-GXFFZTMASA-N 1 2 260.337 2.482 20 30 CEEDLO CCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)COC1 ZINC000866371200 647761185 /nfs/dbraw/zinc/76/11/85/647761185.db2.gz IUCMGZWTNMBCIJ-NSHDSACASA-N 1 2 260.337 2.341 20 30 CEEDLO COCC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866387093 647768297 /nfs/dbraw/zinc/76/82/97/647768297.db2.gz MIOAPUHJDSUYGY-LLVKDONJSA-N 1 2 260.337 2.341 20 30 CEEDLO N#Cc1cc(F)c(C(=O)OCCCn2cc[nH+]c2)c(F)c1 ZINC000784096804 647801719 /nfs/dbraw/zinc/80/17/19/647801719.db2.gz XVLQFYNDRFOLSI-UHFFFAOYSA-N 1 2 291.257 2.280 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000784449653 647850910 /nfs/dbraw/zinc/85/09/10/647850910.db2.gz GQRYQNWUYLMDGY-GJZGRUSLSA-N 1 2 262.328 2.485 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000784449653 647850912 /nfs/dbraw/zinc/85/09/12/647850912.db2.gz GQRYQNWUYLMDGY-GJZGRUSLSA-N 1 2 262.328 2.485 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000784451815 647851944 /nfs/dbraw/zinc/85/19/44/647851944.db2.gz KQEHXWZESBUZPD-MRXNPFEDSA-N 1 2 281.363 2.393 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000784451815 647851947 /nfs/dbraw/zinc/85/19/47/647851947.db2.gz KQEHXWZESBUZPD-MRXNPFEDSA-N 1 2 281.363 2.393 20 30 CEEDLO C=CCC[N@@H+](C)Cn1c(=O)scc1C(F)(F)F ZINC000786102388 647985530 /nfs/dbraw/zinc/98/55/30/647985530.db2.gz PCICEHXAJISEEE-UHFFFAOYSA-N 1 2 266.288 2.394 20 30 CEEDLO C=CCC[N@H+](C)Cn1c(=O)scc1C(F)(F)F ZINC000786102388 647985532 /nfs/dbraw/zinc/98/55/32/647985532.db2.gz PCICEHXAJISEEE-UHFFFAOYSA-N 1 2 266.288 2.394 20 30 CEEDLO C#CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000788779089 648222804 /nfs/dbraw/zinc/22/28/04/648222804.db2.gz UOOAIZWGQFYDFV-CQSZACIVSA-N 1 2 258.300 2.036 20 30 CEEDLO C#CCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000788779089 648222809 /nfs/dbraw/zinc/22/28/09/648222809.db2.gz UOOAIZWGQFYDFV-CQSZACIVSA-N 1 2 258.300 2.036 20 30 CEEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)n(C)n1 ZINC000789158167 648263977 /nfs/dbraw/zinc/26/39/77/648263977.db2.gz CARUNGDYECFFNX-VOTSOKGWSA-N 1 2 266.304 2.272 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cccc(OC(F)F)c1 ZINC000790300376 648403600 /nfs/dbraw/zinc/40/36/00/648403600.db2.gz WDERTKAWSUAWPC-UHFFFAOYSA-N 1 2 266.251 2.468 20 30 CEEDLO Cn1c(CC#N)nn(C[NH+]2CCCCCCC2)c1=S ZINC000794615822 648894130 /nfs/dbraw/zinc/89/41/30/648894130.db2.gz DJEDKBDTCJDTRC-UHFFFAOYSA-N 1 2 279.413 2.241 20 30 CEEDLO CC(C)(C)c1cn(C[C@H](O)COc2ccc(C#N)cc2)c[nH+]1 ZINC000871989796 649238347 /nfs/dbraw/zinc/23/83/47/649238347.db2.gz SPFZMSGBTIMNMX-AWEZNQCLSA-N 1 2 299.374 2.492 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000878400319 651085372 /nfs/dbraw/zinc/08/53/72/651085372.db2.gz BHQWJHJLMYACMD-CQSZACIVSA-N 1 2 275.348 2.171 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2c(cccc2OC)C1 ZINC000878400319 651085374 /nfs/dbraw/zinc/08/53/74/651085374.db2.gz BHQWJHJLMYACMD-CQSZACIVSA-N 1 2 275.348 2.171 20 30 CEEDLO CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[C@H]1C#N ZINC000878774757 651183408 /nfs/dbraw/zinc/18/34/08/651183408.db2.gz ULANFIULDKSIAQ-WCQYABFASA-N 1 2 283.335 2.490 20 30 CEEDLO CCCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000878817954 651191894 /nfs/dbraw/zinc/19/18/94/651191894.db2.gz ZHJBIQSCTILWES-CHWSQXEVSA-N 1 2 253.390 2.353 20 30 CEEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)CC#N)cc1C ZINC000878817698 651192164 /nfs/dbraw/zinc/19/21/64/651192164.db2.gz YDVTWQFTJXCNLU-OAHLLOKOSA-N 1 2 298.390 2.442 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CSC1 ZINC000878914083 651209340 /nfs/dbraw/zinc/20/93/40/651209340.db2.gz LXEDDXOBKLGISB-UHFFFAOYSA-N 1 2 292.360 2.154 20 30 CEEDLO C#CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CSC1 ZINC000878914083 651209341 /nfs/dbraw/zinc/20/93/41/651209341.db2.gz LXEDDXOBKLGISB-UHFFFAOYSA-N 1 2 292.360 2.154 20 30 CEEDLO C[N@H+](Cc1ccc(-n2ccnc2)nc1)[C@H]1CCC[C@H]1C#N ZINC000879311265 651282000 /nfs/dbraw/zinc/28/20/00/651282000.db2.gz PNRHJTQFHBYBPY-GJZGRUSLSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@H]1CCC[C@H]1C#N ZINC000879311265 651282002 /nfs/dbraw/zinc/28/20/02/651282002.db2.gz PNRHJTQFHBYBPY-GJZGRUSLSA-N 1 2 281.363 2.391 20 30 CEEDLO CO[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322268 651285494 /nfs/dbraw/zinc/28/54/94/651285494.db2.gz IYGNXLOAIIBHNK-PWSUYJOCSA-N 1 2 293.392 2.058 20 30 CEEDLO CO[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322268 651285496 /nfs/dbraw/zinc/28/54/96/651285496.db2.gz IYGNXLOAIIBHNK-PWSUYJOCSA-N 1 2 293.392 2.058 20 30 CEEDLO CC(C)Cn1ncnc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432637 651302772 /nfs/dbraw/zinc/30/27/72/651302772.db2.gz DLIQTTXYAMJWNO-UHFFFAOYSA-N 1 2 297.406 2.480 20 30 CEEDLO CC(C)Cn1ncnc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432637 651302774 /nfs/dbraw/zinc/30/27/74/651302774.db2.gz DLIQTTXYAMJWNO-UHFFFAOYSA-N 1 2 297.406 2.480 20 30 CEEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)cc1 ZINC000881615953 651827913 /nfs/dbraw/zinc/82/79/13/651827913.db2.gz KBFGNQGFJZAXPK-CQSZACIVSA-N 1 2 285.391 2.053 20 30 CEEDLO Cc1nc(C#N)cc(NCCCCNc2cccc[nH+]2)n1 ZINC000881907208 651910980 /nfs/dbraw/zinc/91/09/80/651910980.db2.gz LTUJIWDONNPXMW-UHFFFAOYSA-N 1 2 282.351 2.356 20 30 CEEDLO CC[N@@H+]1CC[C@@H]1CNc1ncc(C#N)cc1Br ZINC000882957996 652286898 /nfs/dbraw/zinc/28/68/98/652286898.db2.gz QUEGOOCEEIQWJQ-SNVBAGLBSA-N 1 2 295.184 2.222 20 30 CEEDLO CC[N@H+]1CC[C@@H]1CNc1ncc(C#N)cc1Br ZINC000882957996 652286903 /nfs/dbraw/zinc/28/69/03/652286903.db2.gz QUEGOOCEEIQWJQ-SNVBAGLBSA-N 1 2 295.184 2.222 20 30 CEEDLO C=CC[NH2+][C@H]1CCCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001088316550 806112940 /nfs/dbraw/zinc/11/29/40/806112940.db2.gz CUQTWVLUXLIRON-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001088316550 806112946 /nfs/dbraw/zinc/11/29/46/806112946.db2.gz CUQTWVLUXLIRON-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO Cc1cc(-c2noc(C[NH+]3CCC3)n2)ccc1C#N ZINC001212095612 806548847 /nfs/dbraw/zinc/54/88/47/806548847.db2.gz PWUKWPKIJBZTJC-UHFFFAOYSA-N 1 2 254.293 2.122 20 30 CEEDLO CCC1(CNc2cc(C3(C#N)CC3)cc[nH+]2)COC1 ZINC001168326842 806656041 /nfs/dbraw/zinc/65/60/41/806656041.db2.gz FPQRXDLFAKWPIZ-UHFFFAOYSA-N 1 2 257.337 2.475 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2ccco2)o1 ZINC001038500435 806808493 /nfs/dbraw/zinc/80/84/93/806808493.db2.gz MBAJHYXUACVGSF-ZDUSSCGKSA-N 1 2 298.342 2.367 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2ccco2)o1 ZINC001038500435 806808498 /nfs/dbraw/zinc/80/84/98/806808498.db2.gz MBAJHYXUACVGSF-ZDUSSCGKSA-N 1 2 298.342 2.367 20 30 CEEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CC(=C)C)C2)CC1 ZINC001105695673 806923367 /nfs/dbraw/zinc/92/33/67/806923367.db2.gz MOJRORZHLIWYDI-UHFFFAOYSA-N 1 2 292.423 2.221 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000089945450 802411759 /nfs/dbraw/zinc/41/17/59/802411759.db2.gz YLZWJYAFGCCIOL-UHFFFAOYSA-N 1 2 280.318 2.039 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107463882 808446528 /nfs/dbraw/zinc/44/65/28/808446528.db2.gz ONPGGNWAUORSJO-VOTSOKGWSA-N 1 2 288.395 2.472 20 30 CEEDLO C#CCCC[N@H+]1CCN(c2ccc(Cl)cc2)C(=O)C1 ZINC001209267344 802492549 /nfs/dbraw/zinc/49/25/49/802492549.db2.gz GDMYEUSZLIAJEX-UHFFFAOYSA-N 1 2 276.767 2.402 20 30 CEEDLO C#CCCC[N@@H+]1CCN(c2ccc(Cl)cc2)C(=O)C1 ZINC001209267344 802492550 /nfs/dbraw/zinc/49/25/50/802492550.db2.gz GDMYEUSZLIAJEX-UHFFFAOYSA-N 1 2 276.767 2.402 20 30 CEEDLO CCC#C[C@@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001167461401 802869504 /nfs/dbraw/zinc/86/95/04/802869504.db2.gz HIPRZBGTFCOXOT-CYBMUJFWSA-N 1 2 279.405 2.324 20 30 CEEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001167461401 802869506 /nfs/dbraw/zinc/86/95/06/802869506.db2.gz HIPRZBGTFCOXOT-CYBMUJFWSA-N 1 2 279.405 2.324 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001266961717 803022883 /nfs/dbraw/zinc/02/28/83/803022883.db2.gz LHVCDKKRQRZXQN-NSHDSACASA-N 1 2 291.395 2.359 20 30 CEEDLO N#Cc1cc2ccccc2nc1N1CCn2c[nH+]cc2C1 ZINC001117688014 814936984 /nfs/dbraw/zinc/93/69/84/814936984.db2.gz JIAZOHCVIPLKBT-UHFFFAOYSA-N 1 2 275.315 2.323 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC001140544438 803099180 /nfs/dbraw/zinc/09/91/80/803099180.db2.gz PAWULGBAZOYXSY-HNNXBMFYSA-N 1 2 265.320 2.080 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC001140544438 803099189 /nfs/dbraw/zinc/09/91/89/803099189.db2.gz PAWULGBAZOYXSY-HNNXBMFYSA-N 1 2 265.320 2.080 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2cccc(OC)c2)o1 ZINC001167571802 803139556 /nfs/dbraw/zinc/13/95/56/803139556.db2.gz AGUZJMMESBVDMU-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO C#CC[N@H+](CC)Cc1nnc(-c2cccc(OC)c2)o1 ZINC001167571802 803139559 /nfs/dbraw/zinc/13/95/59/803139559.db2.gz AGUZJMMESBVDMU-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001038254038 803293635 /nfs/dbraw/zinc/29/36/35/803293635.db2.gz SGLTYJFPGYWHQJ-NSHDSACASA-N 1 2 296.292 2.201 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001038254038 803293638 /nfs/dbraw/zinc/29/36/38/803293638.db2.gz SGLTYJFPGYWHQJ-NSHDSACASA-N 1 2 296.292 2.201 20 30 CEEDLO C=CCCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104488877 803359941 /nfs/dbraw/zinc/35/99/41/803359941.db2.gz IUFMSGSJIACXAZ-LLVKDONJSA-N 1 2 262.357 2.010 20 30 CEEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC001116247061 814841307 /nfs/dbraw/zinc/84/13/07/814841307.db2.gz LGXKJOBGHNCADV-STQMWFEESA-N 1 2 294.424 2.058 20 30 CEEDLO C=CCn1cnn(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC001116247061 814841311 /nfs/dbraw/zinc/84/13/11/814841311.db2.gz LGXKJOBGHNCADV-STQMWFEESA-N 1 2 294.424 2.058 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[NH2+]Cc1ncc(CC)o1 ZINC001267424337 803463603 /nfs/dbraw/zinc/46/36/03/803463603.db2.gz LFRAVMLSKKADLV-INIZCTEOSA-N 1 2 293.411 2.387 20 30 CEEDLO C=C[C@H](CCCCCCC)OC[C@H]([NH3+])C(=O)OC ZINC001217883393 803484353 /nfs/dbraw/zinc/48/43/53/803484353.db2.gz FDBPJONYRQGEOB-OLZOCXBDSA-N 1 2 257.374 2.418 20 30 CEEDLO C=CCCC(=O)NC1C[NH+](CCOC2CCCCCC2)C1 ZINC001267642696 803638283 /nfs/dbraw/zinc/63/82/83/803638283.db2.gz JZSKAUQVIKSQPP-UHFFFAOYSA-N 1 2 294.439 2.492 20 30 CEEDLO N#Cc1cc(C(=O)OCCCn2cc[nH+]c2)cs1 ZINC001117857538 814960608 /nfs/dbraw/zinc/96/06/08/814960608.db2.gz CVCYMHVCHWYQAY-UHFFFAOYSA-N 1 2 261.306 2.063 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC001093579170 814966084 /nfs/dbraw/zinc/96/60/84/814966084.db2.gz NWCYABFOJXIUEH-AWEZNQCLSA-N 1 2 294.439 2.156 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001268029493 804098443 /nfs/dbraw/zinc/09/84/43/804098443.db2.gz DUWZRTUDDARJHX-GJZGRUSLSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001268029493 804098456 /nfs/dbraw/zinc/09/84/56/804098456.db2.gz DUWZRTUDDARJHX-GJZGRUSLSA-N 1 2 282.428 2.062 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1 ZINC001027754246 804239443 /nfs/dbraw/zinc/23/94/43/804239443.db2.gz NJRZBJYLRAHYBP-LBPRGKRZSA-N 1 2 268.744 2.226 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1 ZINC001027754246 804239447 /nfs/dbraw/zinc/23/94/47/804239447.db2.gz NJRZBJYLRAHYBP-LBPRGKRZSA-N 1 2 268.744 2.226 20 30 CEEDLO C[NH+](C)Cc1csc(CNc2ccc(C#N)cn2)n1 ZINC000722407857 804458432 /nfs/dbraw/zinc/45/84/32/804458432.db2.gz BLSWAVOXFVMBGV-UHFFFAOYSA-N 1 2 273.365 2.083 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnoc1CC ZINC001028175645 804514439 /nfs/dbraw/zinc/51/44/39/804514439.db2.gz NASOOQSDZRDRKR-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnoc1CC ZINC001028175645 804514442 /nfs/dbraw/zinc/51/44/42/804514442.db2.gz NASOOQSDZRDRKR-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001038955581 804599712 /nfs/dbraw/zinc/59/97/12/804599712.db2.gz CARQSXBQTRJERE-SNVBAGLBSA-N 1 2 275.377 2.220 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001038955581 804599716 /nfs/dbraw/zinc/59/97/16/804599716.db2.gz CARQSXBQTRJERE-SNVBAGLBSA-N 1 2 275.377 2.220 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001028273339 804647828 /nfs/dbraw/zinc/64/78/28/804647828.db2.gz MQEMWFUAPDFPRL-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001028273339 804647831 /nfs/dbraw/zinc/64/78/31/804647831.db2.gz MQEMWFUAPDFPRL-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)C[C@@H](C)c2cccc(OC)c2)C1 ZINC001268491510 804757704 /nfs/dbraw/zinc/75/77/04/804757704.db2.gz JKYRRCXBPVTUFR-CYBMUJFWSA-N 1 2 288.391 2.175 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc[nH]2)C1 ZINC001269233037 805095447 /nfs/dbraw/zinc/09/54/47/805095447.db2.gz CJYOXZKSYBDOEF-VBROQKIQSA-N 1 2 293.798 2.313 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc[nH]2)C1 ZINC001269233037 805095458 /nfs/dbraw/zinc/09/54/58/805095458.db2.gz CJYOXZKSYBDOEF-VBROQKIQSA-N 1 2 293.798 2.313 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001269342943 805136593 /nfs/dbraw/zinc/13/65/93/805136593.db2.gz FQIUEBGGTJKSPV-INIZCTEOSA-N 1 2 284.403 2.178 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001269342943 805136597 /nfs/dbraw/zinc/13/65/97/805136597.db2.gz FQIUEBGGTJKSPV-INIZCTEOSA-N 1 2 284.403 2.178 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)cccc2C)C1 ZINC001030381393 807161449 /nfs/dbraw/zinc/16/14/49/807161449.db2.gz QOBFLULSYSBBDT-UHFFFAOYSA-N 1 2 272.392 2.222 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001030633050 807271037 /nfs/dbraw/zinc/27/10/37/807271037.db2.gz ZNICMPMFOJGOPZ-UHFFFAOYSA-N 1 2 286.419 2.414 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001030647158 807283454 /nfs/dbraw/zinc/28/34/54/807283454.db2.gz WUTYCFNHDMWJOW-HUUCEWRRSA-N 1 2 274.408 2.049 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001030677409 807306548 /nfs/dbraw/zinc/30/65/48/807306548.db2.gz REVKCOZXYSTXPF-QGZVFWFLSA-N 1 2 282.387 2.004 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001030718025 807339939 /nfs/dbraw/zinc/33/99/39/807339939.db2.gz JDSSXQBYYIFCQR-BTTYYORXSA-N 1 2 262.397 2.189 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CC2CC(C)(C)C2)C1 ZINC001030830029 807408566 /nfs/dbraw/zinc/40/85/66/807408566.db2.gz BSPQEYYNQOBUSH-UHFFFAOYSA-N 1 2 250.386 2.189 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001031136097 807683633 /nfs/dbraw/zinc/68/36/33/807683633.db2.gz IPTGJYXSEUKOKL-LJQANCHMSA-N 1 2 296.414 2.178 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001031168544 807715044 /nfs/dbraw/zinc/71/50/44/807715044.db2.gz WIUYLCQGNRICNK-DZGCQCFKSA-N 1 2 262.397 2.027 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001031177050 807729714 /nfs/dbraw/zinc/72/97/14/807729714.db2.gz ZCYCUJOVVUXYFA-ZBFHGGJFSA-N 1 2 264.413 2.435 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106457630 807749638 /nfs/dbraw/zinc/74/96/38/807749638.db2.gz UBVKFNYTLCJMDQ-LBPRGKRZSA-N 1 2 276.384 2.448 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(OCCC)c2)C1 ZINC001031224057 807802814 /nfs/dbraw/zinc/80/28/14/807802814.db2.gz YTWURQFRTBGDHN-UHFFFAOYSA-N 1 2 288.391 2.004 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001031226844 807811884 /nfs/dbraw/zinc/81/18/84/807811884.db2.gz PZDVMSRFNNMXAQ-SNVBAGLBSA-N 1 2 296.823 2.329 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001031422415 807954612 /nfs/dbraw/zinc/95/46/12/807954612.db2.gz HWLCMFJBVQUDOQ-CQSZACIVSA-N 1 2 272.392 2.475 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCCCC2)C1 ZINC001031519743 807988839 /nfs/dbraw/zinc/98/88/39/807988839.db2.gz HHPLQLSREWZWRK-UHFFFAOYSA-N 1 2 270.804 2.367 20 30 CEEDLO C#CC[N@@H+](Cc1cnnn1C)[C@H]1CCCc2ccccc21 ZINC001119862877 815165488 /nfs/dbraw/zinc/16/54/88/815165488.db2.gz WWSMHXVUNKPBFQ-KRWDZBQOSA-N 1 2 280.375 2.328 20 30 CEEDLO C#CC[N@H+](Cc1cnnn1C)[C@H]1CCCc2ccccc21 ZINC001119862877 815165490 /nfs/dbraw/zinc/16/54/90/815165490.db2.gz WWSMHXVUNKPBFQ-KRWDZBQOSA-N 1 2 280.375 2.328 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001031685094 808050306 /nfs/dbraw/zinc/05/03/06/808050306.db2.gz OKNFXIDFAJYNED-VHDGCEQUSA-N 1 2 294.826 2.389 20 30 CEEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001272699636 808179253 /nfs/dbraw/zinc/17/92/53/808179253.db2.gz LUDFTRQUJOZOKD-JKSUJKDBSA-N 1 2 298.377 2.493 20 30 CEEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001272699636 808179257 /nfs/dbraw/zinc/17/92/57/808179257.db2.gz LUDFTRQUJOZOKD-JKSUJKDBSA-N 1 2 298.377 2.493 20 30 CEEDLO 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/nfs/dbraw/zinc/66/76/11/808667611.db2.gz AVADVJBTDJWZMQ-HOTGVXAUSA-N 1 2 282.387 2.171 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(Cl)c1 ZINC001032520910 808678111 /nfs/dbraw/zinc/67/81/11/808678111.db2.gz LWTOHMBJBDPMJP-GJZGRUSLSA-N 1 2 288.778 2.180 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(Cl)c1 ZINC001032520910 808678116 /nfs/dbraw/zinc/67/81/16/808678116.db2.gz LWTOHMBJBDPMJP-GJZGRUSLSA-N 1 2 288.778 2.180 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543634 808689983 /nfs/dbraw/zinc/68/99/83/808689983.db2.gz HUJFPJLUSSAFPC-GJZGRUSLSA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543634 808689990 /nfs/dbraw/zinc/68/99/90/808689990.db2.gz HUJFPJLUSSAFPC-GJZGRUSLSA-N 1 2 274.408 2.121 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc2ccccc12 ZINC001032545770 808691602 /nfs/dbraw/zinc/69/16/02/808691602.db2.gz JAVXPQDWSLXYIV-STQMWFEESA-N 1 2 296.395 2.433 20 30 CEEDLO 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C[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001123852986 815566629 /nfs/dbraw/zinc/56/66/29/815566629.db2.gz XGQGJKFCJAWJQS-WFASDCNBSA-N 1 2 289.354 2.208 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)CC#N)C1 ZINC001255177033 813025403 /nfs/dbraw/zinc/02/54/03/813025403.db2.gz LDDCEYBMOKENEJ-CHWSQXEVSA-N 1 2 265.357 2.055 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](CC)CC#N)C1 ZINC001255177033 813025409 /nfs/dbraw/zinc/02/54/09/813025409.db2.gz LDDCEYBMOKENEJ-CHWSQXEVSA-N 1 2 265.357 2.055 20 30 CEEDLO C=C1CCC(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)CC1 ZINC001133365294 813038723 /nfs/dbraw/zinc/03/87/23/813038723.db2.gz KYFSKDJUSCSGHH-CYBMUJFWSA-N 1 2 291.395 2.496 20 30 CEEDLO CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001071282708 813339707 /nfs/dbraw/zinc/33/97/07/813339707.db2.gz NRGRZLPTOJYNAF-MEDUHNTESA-N 1 2 289.354 2.186 20 30 CEEDLO CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001071282708 813339714 /nfs/dbraw/zinc/33/97/14/813339714.db2.gz NRGRZLPTOJYNAF-MEDUHNTESA-N 1 2 289.354 2.186 20 30 CEEDLO C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001170908646 813633571 /nfs/dbraw/zinc/63/35/71/813633571.db2.gz MPSSMINKBOVBTI-WDEREUQCSA-N 1 2 296.308 2.175 20 30 CEEDLO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170908646 813633580 /nfs/dbraw/zinc/63/35/80/813633580.db2.gz MPSSMINKBOVBTI-WDEREUQCSA-N 1 2 296.308 2.175 20 30 CEEDLO C#CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000754093085 814118919 /nfs/dbraw/zinc/11/89/19/814118919.db2.gz ZJUXKJPIEGRPGD-YOEHRIQHSA-N 1 2 299.418 2.082 20 30 CEEDLO C#CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000754093085 814118926 /nfs/dbraw/zinc/11/89/26/814118926.db2.gz ZJUXKJPIEGRPGD-YOEHRIQHSA-N 1 2 299.418 2.082 20 30 CEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101912321 814335837 /nfs/dbraw/zinc/33/58/37/814335837.db2.gz NEGHIVBDSAELOE-NEPJUHHUSA-N 1 2 276.384 2.114 20 30 CEEDLO C=C1CC(C)(C(=O)N(C)CCNc2cc[nH+]c(C)n2)C1 ZINC001101942792 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30 CEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccnc1 ZINC000156516557 232236724 /nfs/dbraw/zinc/23/67/24/232236724.db2.gz VWQGHIZYOBLTLJ-CYBMUJFWSA-N 1 2 294.358 2.412 20 30 CEEDLO C[C@@H](O)C[N@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595521772 345803304 /nfs/dbraw/zinc/80/33/04/345803304.db2.gz VXYRLCLDPMOGNP-LLVKDONJSA-N 1 2 268.307 2.049 20 30 CEEDLO C[C@@H](O)C[N@@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595521772 345803306 /nfs/dbraw/zinc/80/33/06/345803306.db2.gz VXYRLCLDPMOGNP-LLVKDONJSA-N 1 2 268.307 2.049 20 30 CEEDLO C=CCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595673991 345845566 /nfs/dbraw/zinc/84/55/66/345845566.db2.gz HMIAFXZZOPOVLR-AWEZNQCLSA-N 1 2 263.337 2.417 20 30 CEEDLO C=CCC[N@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595673991 345845567 /nfs/dbraw/zinc/84/55/67/345845567.db2.gz HMIAFXZZOPOVLR-AWEZNQCLSA-N 1 2 263.337 2.417 20 30 CEEDLO N#Cc1sccc1N1CC[NH+](Cc2cncs2)CC1 ZINC000595639359 345834470 /nfs/dbraw/zinc/83/44/70/345834470.db2.gz WPGNSRQDMPKWEX-UHFFFAOYSA-N 1 2 290.417 2.398 20 30 CEEDLO Cc1cc(CNC(=O)N2CC[C@@](C)(C#N)C2)cc(C)[nH+]1 ZINC000595654378 345839319 /nfs/dbraw/zinc/83/93/19/345839319.db2.gz XIUGUJAWUMVRCU-HNNXBMFYSA-N 1 2 272.352 2.144 20 30 CEEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595832649 345889046 /nfs/dbraw/zinc/88/90/46/345889046.db2.gz CQGVZSCIUDUBEV-MLGOLLRUSA-N 1 2 289.354 2.066 20 30 CEEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595832649 345889048 /nfs/dbraw/zinc/88/90/48/345889048.db2.gz CQGVZSCIUDUBEV-MLGOLLRUSA-N 1 2 289.354 2.066 20 30 CEEDLO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595832283 345889773 /nfs/dbraw/zinc/88/97/73/345889773.db2.gz AANAEBYOQUBYJD-WFASDCNBSA-N 1 2 291.420 2.031 20 30 CEEDLO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595832283 345889779 /nfs/dbraw/zinc/88/97/79/345889779.db2.gz AANAEBYOQUBYJD-WFASDCNBSA-N 1 2 291.420 2.031 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000595834314 345891063 /nfs/dbraw/zinc/89/10/63/345891063.db2.gz OKTQFMXIMPVCOG-UHFFFAOYSA-N 1 2 262.740 2.434 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000595834314 345891066 /nfs/dbraw/zinc/89/10/66/345891066.db2.gz OKTQFMXIMPVCOG-UHFFFAOYSA-N 1 2 262.740 2.434 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000595835272 345891407 /nfs/dbraw/zinc/89/14/07/345891407.db2.gz QBIPKUDTNKCYMQ-OAHLLOKOSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000595835272 345891408 /nfs/dbraw/zinc/89/14/08/345891408.db2.gz QBIPKUDTNKCYMQ-OAHLLOKOSA-N 1 2 255.321 2.173 20 30 CEEDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595837230 345892800 /nfs/dbraw/zinc/89/28/00/345892800.db2.gz FJNRGVLBPLNTDB-UKRRQHHQSA-N 1 2 265.401 2.115 20 30 CEEDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595837230 345892803 /nfs/dbraw/zinc/89/28/03/345892803.db2.gz FJNRGVLBPLNTDB-UKRRQHHQSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000595836920 345893091 /nfs/dbraw/zinc/89/30/91/345893091.db2.gz BJWRUWYPAPSEFF-MRXNPFEDSA-N 1 2 277.412 2.309 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000595836920 345893094 /nfs/dbraw/zinc/89/30/94/345893094.db2.gz BJWRUWYPAPSEFF-MRXNPFEDSA-N 1 2 277.412 2.309 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H](C)C#N ZINC000595811690 345882375 /nfs/dbraw/zinc/88/23/75/345882375.db2.gz FJKLODQDHJKKPZ-LLVKDONJSA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@H](C)C#N ZINC000595811690 345882378 /nfs/dbraw/zinc/88/23/78/345882378.db2.gz FJKLODQDHJKKPZ-LLVKDONJSA-N 1 2 263.316 2.388 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844391 345897136 /nfs/dbraw/zinc/89/71/36/345897136.db2.gz SMISLUAQXXAFPQ-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844391 345897139 /nfs/dbraw/zinc/89/71/39/345897139.db2.gz SMISLUAQXXAFPQ-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO OCC#Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000623168826 349940519 /nfs/dbraw/zinc/94/05/19/349940519.db2.gz RKNOMCCQGRUXNQ-UHFFFAOYSA-N 1 2 279.343 2.088 20 30 CEEDLO C=CC1CCN(c2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000596121311 345944510 /nfs/dbraw/zinc/94/45/10/345944510.db2.gz VLPJSQRTPBQUHL-UHFFFAOYSA-N 1 2 260.337 2.200 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596432769 346022810 /nfs/dbraw/zinc/02/28/10/346022810.db2.gz SLRMINXFNJZRQN-KGLIPLIRSA-N 1 2 288.395 2.091 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596432769 346022812 /nfs/dbraw/zinc/02/28/12/346022812.db2.gz SLRMINXFNJZRQN-KGLIPLIRSA-N 1 2 288.395 2.091 20 30 CEEDLO N#CC[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000596330700 346001616 /nfs/dbraw/zinc/00/16/16/346001616.db2.gz NDXLFRGQBIMCDV-ZDUSSCGKSA-N 1 2 271.368 2.207 20 30 CEEDLO N#CC[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000596330700 346001620 /nfs/dbraw/zinc/00/16/20/346001620.db2.gz NDXLFRGQBIMCDV-ZDUSSCGKSA-N 1 2 271.368 2.207 20 30 CEEDLO N#Cc1csc(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000176909829 232339418 /nfs/dbraw/zinc/33/94/18/232339418.db2.gz XYVCYUPDSUXGIO-UHFFFAOYSA-N 1 2 296.355 2.240 20 30 CEEDLO C[C@@H](CC#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000596826970 346094329 /nfs/dbraw/zinc/09/43/29/346094329.db2.gz GNZYHHHMPPHIPO-ZDUSSCGKSA-N 1 2 286.379 2.238 20 30 CEEDLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597178101 346142237 /nfs/dbraw/zinc/14/22/37/346142237.db2.gz VGNVOZWGMBGOIO-SNVBAGLBSA-N 1 2 297.200 2.308 20 30 CEEDLO Cn1ncc(Br)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597178101 346142239 /nfs/dbraw/zinc/14/22/39/346142239.db2.gz VGNVOZWGMBGOIO-SNVBAGLBSA-N 1 2 297.200 2.308 20 30 CEEDLO N#CCC1C[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000597202727 346147454 /nfs/dbraw/zinc/14/74/54/346147454.db2.gz BBQXUBXTELYLPW-UHFFFAOYSA-N 1 2 258.350 2.484 20 30 CEEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc2c1OCCO2 ZINC000597229464 346154950 /nfs/dbraw/zinc/15/49/50/346154950.db2.gz LICMYSPOCLDXJD-INIZCTEOSA-N 1 2 288.347 2.202 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc2c1OCCO2 ZINC000597229464 346154952 /nfs/dbraw/zinc/15/49/52/346154952.db2.gz LICMYSPOCLDXJD-INIZCTEOSA-N 1 2 288.347 2.202 20 30 CEEDLO C[C@@H](CC#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000597252847 346162756 /nfs/dbraw/zinc/16/27/56/346162756.db2.gz AFDQJOMESGSQEF-GXFFZTMASA-N 1 2 295.333 2.233 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000597257861 346163322 /nfs/dbraw/zinc/16/33/22/346163322.db2.gz JACDAMUIMQHURK-WQGACYEGSA-N 1 2 286.379 2.103 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000597257861 346163323 /nfs/dbraw/zinc/16/33/23/346163323.db2.gz JACDAMUIMQHURK-WQGACYEGSA-N 1 2 286.379 2.103 20 30 CEEDLO C[C@@H](CC#N)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000597581506 346204187 /nfs/dbraw/zinc/20/41/87/346204187.db2.gz HQRGJMQJCCTVCE-VIFPVBQESA-N 1 2 271.324 2.117 20 30 CEEDLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000597950148 346256694 /nfs/dbraw/zinc/25/66/94/346256694.db2.gz ZJMVGZNPHHFATE-UHFFFAOYSA-N 1 2 282.347 2.196 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000598405542 346346720 /nfs/dbraw/zinc/34/67/20/346346720.db2.gz MAJUULMOYGONBH-KRWDZBQOSA-N 1 2 296.374 2.361 20 30 CEEDLO C[C@@H](NC(=O)C1(C#N)CCCCC1)c1[nH+]ccn1C ZINC000598460132 346360323 /nfs/dbraw/zinc/36/03/23/346360323.db2.gz QMOIGVXEUWIYPC-LLVKDONJSA-N 1 2 260.341 2.071 20 30 CEEDLO C=C[C@@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000623263515 349966489 /nfs/dbraw/zinc/96/64/89/349966489.db2.gz PAXICFVXDBDQMC-ZFWWWQNUSA-N 1 2 281.359 2.284 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccccc1OCCCCO ZINC000602608001 347099124 /nfs/dbraw/zinc/09/91/24/347099124.db2.gz OEBZZLRBHUOTKY-ZDUSSCGKSA-N 1 2 262.353 2.087 20 30 CEEDLO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)CS(C)(=O)=O ZINC000599292029 346492443 /nfs/dbraw/zinc/49/24/43/346492443.db2.gz DNDWVVMXKCQTJI-CYBMUJFWSA-N 1 2 294.420 2.122 20 30 CEEDLO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)CS(C)(=O)=O ZINC000599292029 346492444 /nfs/dbraw/zinc/49/24/44/346492444.db2.gz DNDWVVMXKCQTJI-CYBMUJFWSA-N 1 2 294.420 2.122 20 30 CEEDLO COC(=O)[C@H]1C[N@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000599680703 346563162 /nfs/dbraw/zinc/56/31/62/346563162.db2.gz QINMVZISZFULPB-AWEZNQCLSA-N 1 2 270.332 2.063 20 30 CEEDLO COC(=O)[C@H]1C[N@@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000599680703 346563163 /nfs/dbraw/zinc/56/31/63/346563163.db2.gz QINMVZISZFULPB-AWEZNQCLSA-N 1 2 270.332 2.063 20 30 CEEDLO N#Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)s1 ZINC000600774865 346687612 /nfs/dbraw/zinc/68/76/12/346687612.db2.gz HKGFECQQHAHECI-UHFFFAOYSA-N 1 2 273.361 2.288 20 30 CEEDLO N#Cc1c(F)cccc1-c1ccc(NCCCCO)[nH+]c1 ZINC000600792483 346691521 /nfs/dbraw/zinc/69/15/21/346691521.db2.gz YQQMRGOECKRHJJ-UHFFFAOYSA-N 1 2 285.322 2.366 20 30 CEEDLO Cc1ccn2cc(CNC(=O)C3(C#N)CC4(CC4)C3)[nH+]c2c1 ZINC000601009318 346731208 /nfs/dbraw/zinc/73/12/08/346731208.db2.gz MNQDCAASDMLQJI-UHFFFAOYSA-N 1 2 294.358 2.343 20 30 CEEDLO N#CCc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000601034903 346736682 /nfs/dbraw/zinc/73/66/82/346736682.db2.gz OUXWMYYQRCZDOY-AWEZNQCLSA-N 1 2 294.358 2.496 20 30 CEEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CCC#N ZINC000602628100 347111509 /nfs/dbraw/zinc/11/15/09/347111509.db2.gz BLVSNGYVVZVWIN-DZGCQCFKSA-N 1 2 274.364 2.300 20 30 CEEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)[nH]1 ZINC000602628972 347111556 /nfs/dbraw/zinc/11/15/56/347111556.db2.gz CFQZPFIIXNTEEH-GHMZBOCLSA-N 1 2 284.367 2.436 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601226638 346795721 /nfs/dbraw/zinc/79/57/21/346795721.db2.gz PEJWZEKXXMHIHD-UHFFFAOYSA-N 1 2 286.379 2.239 20 30 CEEDLO COc1cc(F)cc(OC)c1C[NH2+]CC1(C#N)CC1 ZINC000602642085 347118972 /nfs/dbraw/zinc/11/89/72/347118972.db2.gz HWTBFVHPCKKXPN-UHFFFAOYSA-N 1 2 264.300 2.236 20 30 CEEDLO C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602700091 347155261 /nfs/dbraw/zinc/15/52/61/347155261.db2.gz RSWPINLFVNEOKU-BZNIZROVSA-N 1 2 285.322 2.304 20 30 CEEDLO CCn1ncnc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000602659946 347128428 /nfs/dbraw/zinc/12/84/28/347128428.db2.gz YWITYYLBDAPHBR-UHFFFAOYSA-N 1 2 275.743 2.113 20 30 CEEDLO CCc1nc(C)c(C[NH2+]Cc2cccc(C#N)n2)o1 ZINC000602668837 347132957 /nfs/dbraw/zinc/13/29/57/347132957.db2.gz GHQAYXNOESIOOI-UHFFFAOYSA-N 1 2 256.309 2.102 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CC(CF)(CF)C1)C(=O)OC ZINC000602738317 347179891 /nfs/dbraw/zinc/17/98/91/347179891.db2.gz HMBSAQWRZAMZKR-NSHDSACASA-N 1 2 261.312 2.172 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000064442314 362785549 /nfs/dbraw/zinc/78/55/49/362785549.db2.gz ZXQPCAVKVOSDHU-UHFFFAOYSA-N 1 2 294.757 2.260 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cncc(Cl)c2)C[C@@H](C)N1CC#N ZINC000602849784 347224475 /nfs/dbraw/zinc/22/44/75/347224475.db2.gz NSWMOJXICNGJNI-VXGBXAGGSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C)N1CC#N ZINC000602854876 347226223 /nfs/dbraw/zinc/22/62/23/347226223.db2.gz DFOZIEQPJDVMIZ-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](C)N1CC#N ZINC000602854876 347226224 /nfs/dbraw/zinc/22/62/24/347226224.db2.gz DFOZIEQPJDVMIZ-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000602860371 347227911 /nfs/dbraw/zinc/22/79/11/347227911.db2.gz BDVQUVGVKNDALC-GHMZBOCLSA-N 1 2 279.771 2.409 20 30 CEEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602860709 347228102 /nfs/dbraw/zinc/22/81/02/347228102.db2.gz FMSDWKGAOBSQBD-NEPJUHHUSA-N 1 2 275.352 2.304 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000602860215 347228167 /nfs/dbraw/zinc/22/81/67/347228167.db2.gz ACUCUOLOWVCTFC-CJNGLKHVSA-N 1 2 285.391 2.414 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cc(F)ccc2F)C[C@@H](C)N1CC#N ZINC000602861827 347228762 /nfs/dbraw/zinc/22/87/62/347228762.db2.gz MAQQEVQNRYDDHI-VXGBXAGGSA-N 1 2 279.334 2.383 20 30 CEEDLO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)C1CCCCC1 ZINC000602864024 347229828 /nfs/dbraw/zinc/22/98/28/347229828.db2.gz PVZFDAFHTXLTGU-STQMWFEESA-N 1 2 265.401 2.448 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602869060 347231940 /nfs/dbraw/zinc/23/19/40/347231940.db2.gz LXUPRRRMCQEFEI-SECBINFHSA-N 1 2 276.727 2.042 20 30 CEEDLO Cc1noc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602895420 347240979 /nfs/dbraw/zinc/24/09/79/347240979.db2.gz NANFUWHPQXBQPD-UHFFFAOYSA-N 1 2 297.362 2.326 20 30 CEEDLO CSC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000602921332 347248123 /nfs/dbraw/zinc/24/81/23/347248123.db2.gz ZAFUZDPUGOOQTJ-UHFFFAOYSA-N 1 2 295.433 2.386 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccn1 ZINC000603132573 347294317 /nfs/dbraw/zinc/29/43/17/347294317.db2.gz SZMREVSYZFZWKV-CQSZACIVSA-N 1 2 296.334 2.019 20 30 CEEDLO CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000602974665 347261063 /nfs/dbraw/zinc/26/10/63/347261063.db2.gz RQGXVTLYNMKWER-UKRRQHHQSA-N 1 2 277.412 2.402 20 30 CEEDLO CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000602974665 347261067 /nfs/dbraw/zinc/26/10/67/347261067.db2.gz RQGXVTLYNMKWER-UKRRQHHQSA-N 1 2 277.412 2.402 20 30 CEEDLO CCCN(CCC)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975209 347261288 /nfs/dbraw/zinc/26/12/88/347261288.db2.gz ZLICQQCBHOWJEK-UONOGXRCSA-N 1 2 265.401 2.259 20 30 CEEDLO CCCN(CCC)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975209 347261290 /nfs/dbraw/zinc/26/12/90/347261290.db2.gz ZLICQQCBHOWJEK-UONOGXRCSA-N 1 2 265.401 2.259 20 30 CEEDLO C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[C@@H]1C#N ZINC000602974757 347261379 /nfs/dbraw/zinc/26/13/79/347261379.db2.gz TUONUWIBLGFVTE-NVXWUHKLSA-N 1 2 297.402 2.195 20 30 CEEDLO C[N@@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[C@@H]1C#N ZINC000602974757 347261382 /nfs/dbraw/zinc/26/13/82/347261382.db2.gz TUONUWIBLGFVTE-NVXWUHKLSA-N 1 2 297.402 2.195 20 30 CEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[C@@H]1C#N ZINC000602976665 347262501 /nfs/dbraw/zinc/26/25/01/347262501.db2.gz RFKLMVUISSQAOU-MGPQQGTHSA-N 1 2 272.348 2.450 20 30 CEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[C@@H]1C#N ZINC000602976665 347262502 /nfs/dbraw/zinc/26/25/02/347262502.db2.gz RFKLMVUISSQAOU-MGPQQGTHSA-N 1 2 272.348 2.450 20 30 CEEDLO COCc1cc(C#N)ccc1N(C)CCCn1cc[nH+]c1 ZINC000603313616 347335150 /nfs/dbraw/zinc/33/51/50/347335150.db2.gz KPIBZENURINXKZ-UHFFFAOYSA-N 1 2 284.363 2.428 20 30 CEEDLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000604492814 347417637 /nfs/dbraw/zinc/41/76/37/347417637.db2.gz XXDQTNYSWNENFD-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1noc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000604492814 347417639 /nfs/dbraw/zinc/41/76/39/347417639.db2.gz XXDQTNYSWNENFD-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO C=CC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000604880772 347434142 /nfs/dbraw/zinc/43/41/42/347434142.db2.gz OVVYQCUHWATZEH-LBPRGKRZSA-N 1 2 257.337 2.266 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608783539 347616026 /nfs/dbraw/zinc/61/60/26/347616026.db2.gz ZCCODHULPZEINT-LBPRGKRZSA-N 1 2 284.363 2.193 20 30 CEEDLO N#CCCN(Cc1ccccn1)C(=O)CCCn1cc[nH+]c1 ZINC000609175719 347629833 /nfs/dbraw/zinc/62/98/33/347629833.db2.gz YAJRASXQEDINMM-UHFFFAOYSA-N 1 2 297.362 2.001 20 30 CEEDLO CC(C)[C@H](C#N)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000609537747 347642567 /nfs/dbraw/zinc/64/25/67/347642567.db2.gz CYQLHIPAEMMBQY-INIZCTEOSA-N 1 2 297.406 2.000 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000610088101 347659882 /nfs/dbraw/zinc/65/98/82/347659882.db2.gz RLHLXFWXUDFPNK-GXFFZTMASA-N 1 2 277.755 2.337 20 30 CEEDLO CC1CC(C#N)(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000610712850 347705715 /nfs/dbraw/zinc/70/57/15/347705715.db2.gz BKHOCFUZABCRDU-UHFFFAOYSA-N 1 2 254.293 2.213 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H]2CCOC2)c1C#N ZINC000611347146 347769168 /nfs/dbraw/zinc/76/91/68/347769168.db2.gz KAOXFXJPHRGNCG-HNNXBMFYSA-N 1 2 296.374 2.273 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CCOC2)c1C#N ZINC000611347146 347769171 /nfs/dbraw/zinc/76/91/71/347769171.db2.gz KAOXFXJPHRGNCG-HNNXBMFYSA-N 1 2 296.374 2.273 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@](C)(O)C2)c1C#N ZINC000611347715 347769345 /nfs/dbraw/zinc/76/93/45/347769345.db2.gz JDYKVMBAIOUNSG-KRWDZBQOSA-N 1 2 296.374 2.009 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@](C)(O)C2)c1C#N ZINC000611347715 347769348 /nfs/dbraw/zinc/76/93/48/347769348.db2.gz JDYKVMBAIOUNSG-KRWDZBQOSA-N 1 2 296.374 2.009 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(C)o1 ZINC000611091310 347738752 /nfs/dbraw/zinc/73/87/52/347738752.db2.gz SPHJKVODRDVYJR-JTQLQIEISA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(C)o1 ZINC000611091310 347738755 /nfs/dbraw/zinc/73/87/55/347738755.db2.gz SPHJKVODRDVYJR-JTQLQIEISA-N 1 2 276.336 2.499 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180879 347749607 /nfs/dbraw/zinc/74/96/07/347749607.db2.gz ZZFYTWWROCXJPX-WCQYABFASA-N 1 2 299.365 2.160 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501992 347786548 /nfs/dbraw/zinc/78/65/48/347786548.db2.gz LMHONGRUHZENDT-BHPKHCPMSA-N 1 2 283.391 2.109 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501992 347786550 /nfs/dbraw/zinc/78/65/50/347786550.db2.gz LMHONGRUHZENDT-BHPKHCPMSA-N 1 2 283.391 2.109 20 30 CEEDLO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163502 347851868 /nfs/dbraw/zinc/85/18/68/347851868.db2.gz RIOXHPDXXQZLTM-DZGCQCFKSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163502 347851872 /nfs/dbraw/zinc/85/18/72/347851872.db2.gz RIOXHPDXXQZLTM-DZGCQCFKSA-N 1 2 263.385 2.013 20 30 CEEDLO CC(C)N(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)C(C)C ZINC000612162586 347852374 /nfs/dbraw/zinc/85/23/74/347852374.db2.gz PASJTQPMPCVKCZ-OAHLLOKOSA-N 1 2 265.401 2.257 20 30 CEEDLO CC(C)N(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)C(C)C ZINC000612162586 347852375 /nfs/dbraw/zinc/85/23/75/347852375.db2.gz PASJTQPMPCVKCZ-OAHLLOKOSA-N 1 2 265.401 2.257 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2sccc2C#N)c1 ZINC000612346977 347872241 /nfs/dbraw/zinc/87/22/41/347872241.db2.gz QGUVUAGLLZZEOI-UHFFFAOYSA-N 1 2 272.333 2.333 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1C ZINC000612577407 347903689 /nfs/dbraw/zinc/90/36/89/347903689.db2.gz GNSCEMRTLYVANY-UHFFFAOYSA-N 1 2 277.324 2.265 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1C ZINC000612577407 347903693 /nfs/dbraw/zinc/90/36/93/347903693.db2.gz GNSCEMRTLYVANY-UHFFFAOYSA-N 1 2 277.324 2.265 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000130403264 365952890 /nfs/dbraw/zinc/95/28/90/365952890.db2.gz HSLHFIODUQUSIY-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000130403264 365952894 /nfs/dbraw/zinc/95/28/94/365952894.db2.gz HSLHFIODUQUSIY-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)on2)cn1 ZINC000613583253 348073930 /nfs/dbraw/zinc/07/39/30/348073930.db2.gz GFEGGGPORJTPCT-HNNXBMFYSA-N 1 2 285.351 2.201 20 30 CEEDLO Cn1cc(-c2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)on2)cn1 ZINC000613583253 348073934 /nfs/dbraw/zinc/07/39/34/348073934.db2.gz GFEGGGPORJTPCT-HNNXBMFYSA-N 1 2 285.351 2.201 20 30 CEEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000613363353 348033545 /nfs/dbraw/zinc/03/35/45/348033545.db2.gz LHPZXQIIPUFNKN-CQSZACIVSA-N 1 2 262.357 2.108 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ncn(C)n1 ZINC000615093056 348279496 /nfs/dbraw/zinc/27/94/96/348279496.db2.gz VZJUYTOFDWSCOA-NHYWBVRUSA-N 1 2 281.363 2.415 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000617777264 348788451 /nfs/dbraw/zinc/78/84/51/348788451.db2.gz LHWOYLNUKQFHIY-OLZOCXBDSA-N 1 2 261.369 2.403 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000617777264 348788453 /nfs/dbraw/zinc/78/84/53/348788453.db2.gz LHWOYLNUKQFHIY-OLZOCXBDSA-N 1 2 261.369 2.403 20 30 CEEDLO N#CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000618305252 348923626 /nfs/dbraw/zinc/92/36/26/348923626.db2.gz PHONJGWKTNIMLB-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO C=C[C@H]([NH2+]CCc1c[nH]c2cccc(C)c12)C(=O)OC ZINC000619701350 349221846 /nfs/dbraw/zinc/22/18/46/349221846.db2.gz GLMSNLKJGKXCLC-ZDUSSCGKSA-N 1 2 272.348 2.336 20 30 CEEDLO C=C[C@H]([NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC)C(=O)OC ZINC000619702996 349223468 /nfs/dbraw/zinc/22/34/68/349223468.db2.gz CITAFCUBMHRMBH-WUHRBBMRSA-N 1 2 269.385 2.143 20 30 CEEDLO C=C[C@H]([NH2+][C@@H]1C[C@@H](OCC)C12CCCC2)C(=O)OC ZINC000619703214 349223885 /nfs/dbraw/zinc/22/38/85/349223885.db2.gz XURWSTRFHLSZSX-YNEHKIRRSA-N 1 2 267.369 2.041 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000619718887 349228088 /nfs/dbraw/zinc/22/80/88/349228088.db2.gz GFNGCBPGBZQPFY-OLZOCXBDSA-N 1 2 297.395 2.158 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000619718887 349228090 /nfs/dbraw/zinc/22/80/90/349228090.db2.gz GFNGCBPGBZQPFY-OLZOCXBDSA-N 1 2 297.395 2.158 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000619554182 349198490 /nfs/dbraw/zinc/19/84/90/349198490.db2.gz GQLFTUOJVCSQLQ-UHFFFAOYSA-N 1 2 270.332 2.497 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCC=C(C)C2)c1C#N ZINC000619554182 349198492 /nfs/dbraw/zinc/19/84/92/349198492.db2.gz GQLFTUOJVCSQLQ-UHFFFAOYSA-N 1 2 270.332 2.497 20 30 CEEDLO Cc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)ncc1C#N ZINC000412278077 233378019 /nfs/dbraw/zinc/37/80/19/233378019.db2.gz IPDNJQDVHCASEE-ZDUSSCGKSA-N 1 2 283.335 2.112 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000091896097 180281981 /nfs/dbraw/zinc/28/19/81/180281981.db2.gz FIJNEPNCQHUKLF-UHFFFAOYSA-N 1 2 278.377 2.001 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000091896097 180281984 /nfs/dbraw/zinc/28/19/84/180281984.db2.gz FIJNEPNCQHUKLF-UHFFFAOYSA-N 1 2 278.377 2.001 20 30 CEEDLO N#CC1(NC(=O)C[NH+]2Cc3ccccc3C2)CCCCC1 ZINC000106305164 186108496 /nfs/dbraw/zinc/10/84/96/186108496.db2.gz IDRXNPXOKHZGIV-UHFFFAOYSA-N 1 2 283.375 2.345 20 30 CEEDLO C=C(C)CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625496492 350514691 /nfs/dbraw/zinc/51/46/91/350514691.db2.gz QRXLHZCPBAIMMV-HNNXBMFYSA-N 1 2 271.368 2.057 20 30 CEEDLO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625496492 350514693 /nfs/dbraw/zinc/51/46/93/350514693.db2.gz QRXLHZCPBAIMMV-HNNXBMFYSA-N 1 2 271.368 2.057 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCCC(F)(F)CC2)nn1 ZINC000625773568 350565554 /nfs/dbraw/zinc/56/55/54/350565554.db2.gz XMEHZIAUXUHATA-UHFFFAOYSA-N 1 2 270.327 2.475 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCCC(F)(F)CC2)nn1 ZINC000625773568 350565561 /nfs/dbraw/zinc/56/55/61/350565561.db2.gz XMEHZIAUXUHATA-UHFFFAOYSA-N 1 2 270.327 2.475 20 30 CEEDLO C=CC[N@@H+](CCc1ccc(OC)cc1)CC(=O)OCC ZINC000110054741 186283742 /nfs/dbraw/zinc/28/37/42/186283742.db2.gz VFUMENWRRXUSBF-UHFFFAOYSA-N 1 2 277.364 2.289 20 30 CEEDLO C=CC[N@H+](CCc1ccc(OC)cc1)CC(=O)OCC ZINC000110054741 186283744 /nfs/dbraw/zinc/28/37/44/186283744.db2.gz VFUMENWRRXUSBF-UHFFFAOYSA-N 1 2 277.364 2.289 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271444724 191140352 /nfs/dbraw/zinc/14/03/52/191140352.db2.gz NBNZIIXEDGLECG-UHFFFAOYSA-N 1 2 275.308 2.184 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271444724 191140354 /nfs/dbraw/zinc/14/03/54/191140354.db2.gz NBNZIIXEDGLECG-UHFFFAOYSA-N 1 2 275.308 2.184 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000131435561 366053795 /nfs/dbraw/zinc/05/37/95/366053795.db2.gz KYIGWGKYTRQNRA-LSDHHAIUSA-N 1 2 282.428 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000131435561 366053796 /nfs/dbraw/zinc/05/37/96/366053796.db2.gz KYIGWGKYTRQNRA-LSDHHAIUSA-N 1 2 282.428 2.300 20 30 CEEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000121970922 187007649 /nfs/dbraw/zinc/00/76/49/187007649.db2.gz 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ZINC000133446809 366225373 /nfs/dbraw/zinc/22/53/73/366225373.db2.gz YLQQQCJXTUPCTL-UHFFFAOYSA-N 1 2 282.347 2.226 20 30 CEEDLO N#Cc1cc(F)c(N2CCn3c[nH+]cc3C2)c(F)c1 ZINC000336235109 283097516 /nfs/dbraw/zinc/09/75/16/283097516.db2.gz CLXXRTSNJNFWBX-UHFFFAOYSA-N 1 2 260.247 2.053 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000334744179 291078743 /nfs/dbraw/zinc/07/87/43/291078743.db2.gz OWTUXWPDVCBJCY-GXFFZTMASA-N 1 2 266.304 2.191 20 30 CEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCSCC3)o2)cc1 ZINC000075638539 363479361 /nfs/dbraw/zinc/47/93/61/363479361.db2.gz GEEBYSAIMYZTOO-UHFFFAOYSA-N 1 2 286.360 2.157 20 30 CEEDLO N#Cc1cccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c1 ZINC000336340142 213186786 /nfs/dbraw/zinc/18/67/86/213186786.db2.gz VJLOQQRPNGSSDZ-GFCCVEGCSA-N 1 2 266.304 2.340 20 30 CEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000570500376 299259862 /nfs/dbraw/zinc/25/98/62/299259862.db2.gz MYFNZNSWSACADU-SNVBAGLBSA-N 1 2 256.309 2.409 20 30 CEEDLO C=CCCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000274621292 192690237 /nfs/dbraw/zinc/69/02/37/192690237.db2.gz WUCWYZMVIWSLBT-CQSZACIVSA-N 1 2 288.395 2.316 20 30 CEEDLO CC(C)[C@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000578074152 366439801 /nfs/dbraw/zinc/43/98/01/366439801.db2.gz KKMCNDQRXUTTIT-IIAWOOMASA-N 1 2 279.428 2.409 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC/C=C/c1ccccc1 ZINC000578326957 366477978 /nfs/dbraw/zinc/47/79/78/366477978.db2.gz LPIWROQHYFNVHZ-ZBZNSMLMSA-N 1 2 285.391 2.440 20 30 CEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154530 540436567 /nfs/dbraw/zinc/43/65/67/540436567.db2.gz KTQICUVCJXLOLE-CYBMUJFWSA-N 1 2 259.353 2.083 20 30 CEEDLO N#Cc1csc(C[NH2+][C@H]2CCc3c2cccc3O)n1 ZINC000352836744 219671127 /nfs/dbraw/zinc/67/11/27/219671127.db2.gz XGUMPGKKHRYHDC-LBPRGKRZSA-N 1 2 271.345 2.497 20 30 CEEDLO CC(C)[C@H](NC(=O)c1ccc(C#N)s1)c1[nH]cc[nH+]1 ZINC000338879858 366557013 /nfs/dbraw/zinc/55/70/13/366557013.db2.gz JQLRHICCLOBTFD-NSHDSACASA-N 1 2 274.349 2.470 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCOCC1 ZINC000081159550 363704115 /nfs/dbraw/zinc/70/41/15/363704115.db2.gz MUONHNMZAXLPMX-UHFFFAOYSA-N 1 2 259.353 2.224 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCOCC1 ZINC000081159550 363704117 /nfs/dbraw/zinc/70/41/17/363704117.db2.gz MUONHNMZAXLPMX-UHFFFAOYSA-N 1 2 259.353 2.224 20 30 CEEDLO C=C[C@H](C)Nc1nc(NCCO)c2ccccc2[nH+]1 ZINC000674935227 540799435 /nfs/dbraw/zinc/79/94/35/540799435.db2.gz DREKRDDZTNLREK-JTQLQIEISA-N 1 2 258.325 2.020 20 30 CEEDLO N#Cc1ccc(C[N@H+](Cc2cc[nH]n2)C2CC2)cc1 ZINC000180031126 189233446 /nfs/dbraw/zinc/23/34/46/189233446.db2.gz JLFHLHLVTBSKGK-UHFFFAOYSA-N 1 2 252.321 2.446 20 30 CEEDLO N#Cc1ccc(C[N@@H+](Cc2cc[nH]n2)C2CC2)cc1 ZINC000180031126 189233447 /nfs/dbraw/zinc/23/34/47/189233447.db2.gz JLFHLHLVTBSKGK-UHFFFAOYSA-N 1 2 252.321 2.446 20 30 CEEDLO C#CCCCCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000180116880 189237707 /nfs/dbraw/zinc/23/77/07/189237707.db2.gz IQSCMSUGYKALES-UHFFFAOYSA-N 1 2 269.348 2.453 20 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272.348 2.322 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154156091 366758900 /nfs/dbraw/zinc/75/89/00/366758900.db2.gz ITBFOFASPTXOLH-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO CCCCC[N@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000183053703 189344364 /nfs/dbraw/zinc/34/43/64/189344364.db2.gz QSZGVJQVOFORSU-UHFFFAOYSA-N 1 2 276.355 2.155 20 30 CEEDLO CCCCC[N@@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000183053703 189344365 /nfs/dbraw/zinc/34/43/65/189344365.db2.gz QSZGVJQVOFORSU-UHFFFAOYSA-N 1 2 276.355 2.155 20 30 CEEDLO N#Cc1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000301660580 201121775 /nfs/dbraw/zinc/12/17/75/201121775.db2.gz XFBOEMCXNOZFRF-AWEZNQCLSA-N 1 2 266.304 2.006 20 30 CEEDLO COCC[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCCSC1 ZINC000356400956 370695544 /nfs/dbraw/zinc/69/55/44/370695544.db2.gz GHGBVPYNMHVAKZ-GFCCVEGCSA-N 1 2 297.449 2.359 20 30 CEEDLO COCC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCCSC1 ZINC000356400956 370695546 /nfs/dbraw/zinc/69/55/46/370695546.db2.gz GHGBVPYNMHVAKZ-GFCCVEGCSA-N 1 2 297.449 2.359 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C#N)nc1 ZINC000301766023 201184752 /nfs/dbraw/zinc/18/47/52/201184752.db2.gz NOVAHAUFZQQYOX-UHFFFAOYSA-N 1 2 255.325 2.418 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000184196450 189379272 /nfs/dbraw/zinc/37/92/72/189379272.db2.gz UBMMJRNDACVGJH-STQMWFEESA-N 1 2 295.452 2.224 20 30 CEEDLO COCC#CC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000678311651 541114319 /nfs/dbraw/zinc/11/43/19/541114319.db2.gz KQQNBUCRSAQPJG-HNNXBMFYSA-N 1 2 290.382 2.154 20 30 CEEDLO C=CCN(CCc1ccco1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000679283509 541243653 /nfs/dbraw/zinc/24/36/53/541243653.db2.gz VKYKTGNOIJPBKV-UHFFFAOYSA-N 1 2 295.346 2.490 20 30 CEEDLO N#Cc1csc(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000334652127 364135692 /nfs/dbraw/zinc/13/56/92/364135692.db2.gz JGWKUIBYVNWNME-UHFFFAOYSA-N 1 2 272.333 2.405 20 30 CEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC4(CCCC4)C3)n2c1 ZINC000093588975 364200950 /nfs/dbraw/zinc/20/09/50/364200950.db2.gz JJNTZEUTLSYDKA-UHFFFAOYSA-N 1 2 296.374 2.351 20 30 CEEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC4(CCCC4)C3)n2c1 ZINC000093588975 364200956 /nfs/dbraw/zinc/20/09/56/364200956.db2.gz JJNTZEUTLSYDKA-UHFFFAOYSA-N 1 2 296.374 2.351 20 30 CEEDLO CN(C)c1[nH+]cccc1CNc1ccc(Cl)c(C#N)n1 ZINC000356604470 370770220 /nfs/dbraw/zinc/77/02/20/370770220.db2.gz VVQNIESMRHRMQS-UHFFFAOYSA-N 1 2 287.754 2.102 20 30 CEEDLO CC#CCN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000157518661 366845584 /nfs/dbraw/zinc/84/55/84/366845584.db2.gz DZYBDNVXADUESS-UHFFFAOYSA-N 1 2 292.810 2.360 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000157671476 366847217 /nfs/dbraw/zinc/84/72/17/366847217.db2.gz ZCMJBFGPKRPTAM-KGLIPLIRSA-N 1 2 265.401 2.281 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000157671476 366847221 /nfs/dbraw/zinc/84/72/21/366847221.db2.gz ZCMJBFGPKRPTAM-KGLIPLIRSA-N 1 2 265.401 2.281 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000098072223 364529190 /nfs/dbraw/zinc/52/91/90/364529190.db2.gz XQBXVUASHVLAAQ-UHFFFAOYSA-N 1 2 290.363 2.275 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(CC#N)cc2)c2[nH+]ccn21 ZINC000335159995 364558071 /nfs/dbraw/zinc/55/80/71/364558071.db2.gz SMCRFMUEFXKZRJ-BXUZGUMPSA-N 1 2 280.331 2.385 20 30 CEEDLO Cn1ncc2c1CCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000335174956 364577421 /nfs/dbraw/zinc/57/74/21/364577421.db2.gz JZRJTXJEHVXHNP-UHFFFAOYSA-N 1 2 284.338 2.379 20 30 CEEDLO Cn1ncc2c1CCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000335174956 364577428 /nfs/dbraw/zinc/57/74/28/364577428.db2.gz JZRJTXJEHVXHNP-UHFFFAOYSA-N 1 2 284.338 2.379 20 30 CEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCSCC1 ZINC000103468659 364657456 /nfs/dbraw/zinc/65/74/56/364657456.db2.gz BVISAGVFEVHHAU-UHFFFAOYSA-N 1 2 295.795 2.199 20 30 CEEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103142800 364631444 /nfs/dbraw/zinc/63/14/44/364631444.db2.gz KQKAHMOIEHVCBA-GFCCVEGCSA-N 1 2 276.311 2.082 20 30 CEEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103142800 364631453 /nfs/dbraw/zinc/63/14/53/364631453.db2.gz KQKAHMOIEHVCBA-GFCCVEGCSA-N 1 2 276.311 2.082 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1cccc(C)c1)C[C@@H](C)C#N ZINC000111205664 364724627 /nfs/dbraw/zinc/72/46/27/364724627.db2.gz SAHDFBKXRIIIRI-AWEZNQCLSA-N 1 2 273.380 2.093 20 30 CEEDLO CC[N@H+](CC(=O)NCc1cccc(C)c1)C[C@@H](C)C#N ZINC000111205664 364724631 /nfs/dbraw/zinc/72/46/31/364724631.db2.gz SAHDFBKXRIIIRI-AWEZNQCLSA-N 1 2 273.380 2.093 20 30 CEEDLO CN(CC(F)(F)F)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250612 364726334 /nfs/dbraw/zinc/72/63/34/364726334.db2.gz HUERARJQCHTRCH-UHFFFAOYSA-N 1 2 293.333 2.269 20 30 CEEDLO CN(CC(F)(F)F)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250612 364726339 /nfs/dbraw/zinc/72/63/39/364726339.db2.gz HUERARJQCHTRCH-UHFFFAOYSA-N 1 2 293.333 2.269 20 30 CEEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(C#N)CC1 ZINC000112978124 364860874 /nfs/dbraw/zinc/86/08/74/364860874.db2.gz MUFGXKYHDKFKBR-NSHDSACASA-N 1 2 283.335 2.428 20 30 CEEDLO C=CCNC(=O)Nc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000114767162 364964743 /nfs/dbraw/zinc/96/47/43/364964743.db2.gz YFEHFVVPXVXUDB-UHFFFAOYSA-N 1 2 271.324 2.329 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000161857360 367117005 /nfs/dbraw/zinc/11/70/05/367117005.db2.gz JGVODVBZPIBQDY-YPMHNXCESA-N 1 2 282.771 2.314 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000161857360 367117013 /nfs/dbraw/zinc/11/70/13/367117013.db2.gz JGVODVBZPIBQDY-YPMHNXCESA-N 1 2 282.771 2.314 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000590887941 367198667 /nfs/dbraw/zinc/19/86/67/367198667.db2.gz ARHSAWOOENKEDO-ZDUSSCGKSA-N 1 2 280.331 2.264 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000590887901 367198857 /nfs/dbraw/zinc/19/88/57/367198857.db2.gz PLINXVHTXNGQFV-UHFFFAOYSA-N 1 2 268.320 2.482 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000602864192 367217068 /nfs/dbraw/zinc/21/70/68/367217068.db2.gz QGMAZMOIPPXNBM-UPJWGTAASA-N 1 2 259.353 2.144 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c(F)c1 ZINC000602865073 367217217 /nfs/dbraw/zinc/21/72/17/367217217.db2.gz VYQVJCGPFWTTFB-GHMZBOCLSA-N 1 2 263.316 2.353 20 30 CEEDLO N#CCCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171734537 367605832 /nfs/dbraw/zinc/60/58/32/367605832.db2.gz JOBJTDHKRZTBRV-GFCCVEGCSA-N 1 2 275.356 2.340 20 30 CEEDLO CCn1cc[nH+]c1CN(C#N)c1ccc(F)c(C#N)c1 ZINC000343850606 368040392 /nfs/dbraw/zinc/04/03/92/368040392.db2.gz AKMYSNSDBQZXCQ-UHFFFAOYSA-N 1 2 269.283 2.401 20 30 CEEDLO C#CCCOc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1 ZINC000174425471 368021666 /nfs/dbraw/zinc/02/16/66/368021666.db2.gz BBQJFVLFQGPQIP-UHFFFAOYSA-N 1 2 269.348 2.410 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000344100919 368108750 /nfs/dbraw/zinc/10/87/50/368108750.db2.gz IFSBUBKJLJBBLM-SWLSCSKDSA-N 1 2 261.369 2.338 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nncn2-c2ccccc2)s1 ZINC000176946816 368256569 /nfs/dbraw/zinc/25/65/69/368256569.db2.gz BPWDMVQQWYAWPU-UHFFFAOYSA-N 1 2 295.371 2.490 20 30 CEEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180041017 368364364 /nfs/dbraw/zinc/36/43/64/368364364.db2.gz XCYARWSKASGNJF-QWHCGFSZSA-N 1 2 271.401 2.269 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)s3)[C@@H]2C1 ZINC000180816688 368398389 /nfs/dbraw/zinc/39/83/89/368398389.db2.gz YYXKJSWLACHMTB-KCPJHIHWSA-N 1 2 292.404 2.388 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C1 ZINC000180816688 368398393 /nfs/dbraw/zinc/39/83/93/368398393.db2.gz YYXKJSWLACHMTB-KCPJHIHWSA-N 1 2 292.404 2.388 20 30 CEEDLO C=CCCN(C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000682414812 541661652 /nfs/dbraw/zinc/66/16/52/541661652.db2.gz OYDJBEQGHDGWFC-UHFFFAOYSA-N 1 2 272.352 2.046 20 30 CEEDLO N#Cc1csc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346011310 368515733 /nfs/dbraw/zinc/51/57/33/368515733.db2.gz LXGLAZYDLKJPQL-ZDUSSCGKSA-N 1 2 299.355 2.308 20 30 CEEDLO N#Cc1csc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346011291 368516415 /nfs/dbraw/zinc/51/64/15/368516415.db2.gz LXGLAZYDLKJPQL-CYBMUJFWSA-N 1 2 299.355 2.308 20 30 CEEDLO Cc1c(-c2cc(C[N@@H+](C)[C@H](C)CC#N)on2)cnn1C ZINC000184616821 368706493 /nfs/dbraw/zinc/70/64/93/368706493.db2.gz LJRQEPPURAPINA-SNVBAGLBSA-N 1 2 273.340 2.118 20 30 CEEDLO Cc1c(-c2cc(C[N@H+](C)[C@H](C)CC#N)on2)cnn1C ZINC000184616821 368706504 /nfs/dbraw/zinc/70/65/04/368706504.db2.gz LJRQEPPURAPINA-SNVBAGLBSA-N 1 2 273.340 2.118 20 30 CEEDLO N#Cc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000572719121 299393089 /nfs/dbraw/zinc/39/30/89/299393089.db2.gz JCMKIUUPVLMXCX-UHFFFAOYSA-N 1 2 296.334 2.088 20 30 CEEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000185725260 368849654 /nfs/dbraw/zinc/84/96/54/368849654.db2.gz MJSYBYPBGATDQR-DZGCQCFKSA-N 1 2 298.390 2.117 20 30 CEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000348314238 368998106 /nfs/dbraw/zinc/99/81/06/368998106.db2.gz BVUHHULTHDDMAF-AWEZNQCLSA-N 1 2 299.374 2.137 20 30 CEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000348314238 368998107 /nfs/dbraw/zinc/99/81/07/368998107.db2.gz BVUHHULTHDDMAF-AWEZNQCLSA-N 1 2 299.374 2.137 20 30 CEEDLO Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000348410465 369037919 /nfs/dbraw/zinc/03/79/19/369037919.db2.gz OGRUBPHEDKAQDH-OAHLLOKOSA-N 1 2 290.326 2.005 20 30 CEEDLO C=CCCN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000276046306 193197246 /nfs/dbraw/zinc/19/72/46/193197246.db2.gz GUXHJVZHPVOQQF-UHFFFAOYSA-N 1 2 272.352 2.094 20 30 CEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]cn1C ZINC000188154971 369307771 /nfs/dbraw/zinc/30/77/71/369307771.db2.gz SUACZFFEUWHYMW-UHFFFAOYSA-N 1 2 296.374 2.273 20 30 CEEDLO C=CCCN(C)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635840577 369370157 /nfs/dbraw/zinc/37/01/57/369370157.db2.gz WPMKVGSVGTVNLT-INIZCTEOSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCCN(C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635840577 369370160 /nfs/dbraw/zinc/37/01/60/369370160.db2.gz WPMKVGSVGTVNLT-INIZCTEOSA-N 1 2 288.391 2.304 20 30 CEEDLO N#Cc1ccc(OCC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000350145827 369515663 /nfs/dbraw/zinc/51/56/63/369515663.db2.gz IODZOFCAOIMVDQ-UHFFFAOYSA-N 1 2 292.298 2.223 20 30 CEEDLO CCCN(CC#N)Cc1cccc(N(CC)CCOC)[nH+]1 ZINC000351516374 369640157 /nfs/dbraw/zinc/64/01/57/369640157.db2.gz GCZVYNIDHUICID-UHFFFAOYSA-N 1 2 290.411 2.290 20 30 CEEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191408977 369709806 /nfs/dbraw/zinc/70/98/06/369709806.db2.gz NPXCEEZIKCEMFT-LLVKDONJSA-N 1 2 277.368 2.059 20 30 CEEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191408977 369709813 /nfs/dbraw/zinc/70/98/13/369709813.db2.gz NPXCEEZIKCEMFT-LLVKDONJSA-N 1 2 277.368 2.059 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1cn2cc(C)ccc2n1 ZINC000191107504 369678354 /nfs/dbraw/zinc/67/83/54/369678354.db2.gz HTAMUAZYEDFGRY-UHFFFAOYSA-N 1 2 259.353 2.277 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1cn2cc(C)ccc2n1 ZINC000191107504 369678357 /nfs/dbraw/zinc/67/83/57/369678357.db2.gz HTAMUAZYEDFGRY-UHFFFAOYSA-N 1 2 259.353 2.277 20 30 CEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490592 369755684 /nfs/dbraw/zinc/75/56/84/369755684.db2.gz KFKJCMJTLVWEDJ-QWHCGFSZSA-N 1 2 281.375 2.009 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000192067689 369771242 /nfs/dbraw/zinc/77/12/42/369771242.db2.gz MVLTXTZJAHQFFO-HOTGVXAUSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000192067689 369771248 /nfs/dbraw/zinc/77/12/48/369771248.db2.gz MVLTXTZJAHQFFO-HOTGVXAUSA-N 1 2 290.338 2.077 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000192228391 369782481 /nfs/dbraw/zinc/78/24/81/369782481.db2.gz GLKWVIDRHANMRG-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000192228391 369782488 /nfs/dbraw/zinc/78/24/88/369782488.db2.gz GLKWVIDRHANMRG-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000192238776 369784190 /nfs/dbraw/zinc/78/41/90/369784190.db2.gz NGZVSAILTFRQOT-NSHDSACASA-N 1 2 271.320 2.371 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000192238776 369784193 /nfs/dbraw/zinc/78/41/93/369784193.db2.gz NGZVSAILTFRQOT-NSHDSACASA-N 1 2 271.320 2.371 20 30 CEEDLO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1F ZINC000352820470 369895450 /nfs/dbraw/zinc/89/54/50/369895450.db2.gz CXTOIULGJGRZRF-UHFFFAOYSA-N 1 2 277.324 2.452 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccc(N3CCCC3)nc2)n1 ZINC000352822619 369896872 /nfs/dbraw/zinc/89/68/72/369896872.db2.gz KIJGVLAUBXJENE-UHFFFAOYSA-N 1 2 299.403 2.300 20 30 CEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353189680 370061276 /nfs/dbraw/zinc/06/12/76/370061276.db2.gz HXPKMLJPFMPSJE-JSGCOSHPSA-N 1 2 296.317 2.027 20 30 CEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353189680 370061284 /nfs/dbraw/zinc/06/12/84/370061284.db2.gz HXPKMLJPFMPSJE-JSGCOSHPSA-N 1 2 296.317 2.027 20 30 CEEDLO C=CCSCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195066112 370101701 /nfs/dbraw/zinc/10/17/01/370101701.db2.gz QVZBLEIAKUVAFP-CYBMUJFWSA-N 1 2 274.393 2.403 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC#Cc1ccccc1 ZINC000277039552 284205850 /nfs/dbraw/zinc/20/58/50/284205850.db2.gz TULXTNGMWATDHI-ZACQAIPSSA-N 1 2 283.371 2.312 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC#Cc1ccccc1 ZINC000277039552 284205854 /nfs/dbraw/zinc/20/58/54/284205854.db2.gz TULXTNGMWATDHI-ZACQAIPSSA-N 1 2 283.371 2.312 20 30 CEEDLO N#Cc1nc(NCc2ccn3cc[nH+]c3c2)ccc1Cl ZINC000354383407 370340923 /nfs/dbraw/zinc/34/09/23/370340923.db2.gz KFKBKNORLXLTPO-UHFFFAOYSA-N 1 2 283.722 2.288 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2F)C1=O ZINC000639132595 371010427 /nfs/dbraw/zinc/01/04/27/371010427.db2.gz QXDAIBBKPJLBIL-OAHLLOKOSA-N 1 2 276.355 2.353 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2F)C1=O ZINC000639132595 371010432 /nfs/dbraw/zinc/01/04/32/371010432.db2.gz QXDAIBBKPJLBIL-OAHLLOKOSA-N 1 2 276.355 2.353 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(C#N)cc1F ZINC000331921679 204296519 /nfs/dbraw/zinc/29/65/19/204296519.db2.gz ZNFBXGPSKAFKIS-HZMBPMFUSA-N 1 2 285.326 2.475 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2[nH+]1 ZINC000359036959 371312477 /nfs/dbraw/zinc/31/24/77/371312477.db2.gz PLOATRDFUSHQEV-UHFFFAOYSA-N 1 2 265.276 2.323 20 30 CEEDLO Cc1[nH]c2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2[nH+]1 ZINC000359036959 371312483 /nfs/dbraw/zinc/31/24/83/371312483.db2.gz PLOATRDFUSHQEV-UHFFFAOYSA-N 1 2 265.276 2.323 20 30 CEEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000639725989 371519727 /nfs/dbraw/zinc/51/97/27/371519727.db2.gz PJWDWHBNKWWSGK-WDEREUQCSA-N 1 2 273.336 2.108 20 30 CEEDLO C=CC[N@H+](C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000255884394 371597335 /nfs/dbraw/zinc/59/73/35/371597335.db2.gz HPZUZYOVRQMWGQ-CXOKCQFOSA-N 1 2 291.416 2.375 20 30 CEEDLO C=CC[N@@H+](C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000255884394 371597344 /nfs/dbraw/zinc/59/73/44/371597344.db2.gz HPZUZYOVRQMWGQ-CXOKCQFOSA-N 1 2 291.416 2.375 20 30 CEEDLO COc1ccc(OC)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000258943501 371621726 /nfs/dbraw/zinc/62/17/26/371621726.db2.gz PZJFYMYQNGCCRX-UHFFFAOYSA-N 1 2 260.337 2.487 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000268580665 372142273 /nfs/dbraw/zinc/14/22/73/372142273.db2.gz SXBFENDDDINNMD-NSHDSACASA-N 1 2 291.317 2.204 20 30 CEEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000268580665 372142277 /nfs/dbraw/zinc/14/22/77/372142277.db2.gz SXBFENDDDINNMD-NSHDSACASA-N 1 2 291.317 2.204 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCOc2cc(C)ccc2C)nn1 ZINC000640797086 372145873 /nfs/dbraw/zinc/14/58/73/372145873.db2.gz MYOZMWRSDVYQIZ-UHFFFAOYSA-N 1 2 298.390 2.087 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccccc2)nn1 ZINC000640848787 372165144 /nfs/dbraw/zinc/16/51/44/372165144.db2.gz QUKRMKVTNPPQJS-CYBMUJFWSA-N 1 2 254.337 2.000 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCc3ccccc32)nn1 ZINC000640947779 372193416 /nfs/dbraw/zinc/19/34/16/372193416.db2.gz KJYNIUICPWRJEW-KRWDZBQOSA-N 1 2 280.375 2.317 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2csc(C(C)C)n2)nn1 ZINC000640956647 372197187 /nfs/dbraw/zinc/19/71/87/372197187.db2.gz SSIASPZUGQBSEO-UHFFFAOYSA-N 1 2 289.408 2.019 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(OCCC)c2)nn1 ZINC000641132082 372333497 /nfs/dbraw/zinc/33/34/97/372333497.db2.gz FOXFLNKINCBFSS-UHFFFAOYSA-N 1 2 298.390 2.228 20 30 CEEDLO C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000362818293 372533595 /nfs/dbraw/zinc/53/35/95/372533595.db2.gz SZXJFMZFWOEUHN-KGLIPLIRSA-N 1 2 296.374 2.311 20 30 CEEDLO C#CC[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000270163044 372683771 /nfs/dbraw/zinc/68/37/71/372683771.db2.gz ZBBMSTSJAUIHCV-GDBMZVCRSA-N 1 2 296.374 2.335 20 30 CEEDLO C#CCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000270524266 372823995 /nfs/dbraw/zinc/82/39/95/372823995.db2.gz DGCAASWHURFMKM-OAHLLOKOSA-N 1 2 259.349 2.116 20 30 CEEDLO C#CCC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000270524266 372824004 /nfs/dbraw/zinc/82/40/04/372824004.db2.gz DGCAASWHURFMKM-OAHLLOKOSA-N 1 2 259.349 2.116 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnc(C)s2)nn1 ZINC000643902071 373300947 /nfs/dbraw/zinc/30/09/47/373300947.db2.gz VCPGQIUDQPEERW-SECBINFHSA-N 1 2 263.370 2.080 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000274219117 373844636 /nfs/dbraw/zinc/84/46/36/373844636.db2.gz UWNPZZIBTLFOQG-UHFFFAOYSA-N 1 2 276.767 2.054 20 30 CEEDLO C#CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000274219117 373844645 /nfs/dbraw/zinc/84/46/45/373844645.db2.gz UWNPZZIBTLFOQG-UHFFFAOYSA-N 1 2 276.767 2.054 20 30 CEEDLO C=CCCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000274465878 373931168 /nfs/dbraw/zinc/93/11/68/373931168.db2.gz LFNFSWQJOZNSLS-AWEZNQCLSA-N 1 2 290.411 2.454 20 30 CEEDLO C=CCCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000274465878 373931171 /nfs/dbraw/zinc/93/11/71/373931171.db2.gz LFNFSWQJOZNSLS-AWEZNQCLSA-N 1 2 290.411 2.454 20 30 CEEDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000279731769 374968909 /nfs/dbraw/zinc/96/89/09/374968909.db2.gz JRAVLKGSIJFWGR-ZDUSSCGKSA-N 1 2 264.756 2.414 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000279731769 374968912 /nfs/dbraw/zinc/96/89/12/374968912.db2.gz JRAVLKGSIJFWGR-ZDUSSCGKSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC000280238711 375138934 /nfs/dbraw/zinc/13/89/34/375138934.db2.gz BKOCGGHXPSKAHK-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cc1F)CCO2 ZINC000280238711 375138939 /nfs/dbraw/zinc/13/89/39/375138939.db2.gz BKOCGGHXPSKAHK-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO CCCOc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414122687 375798038 /nfs/dbraw/zinc/79/80/38/375798038.db2.gz BHZBVIOKRAKPLT-AWEZNQCLSA-N 1 2 292.379 2.061 20 30 CEEDLO CCCOc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414122687 375798042 /nfs/dbraw/zinc/79/80/42/375798042.db2.gz BHZBVIOKRAKPLT-AWEZNQCLSA-N 1 2 292.379 2.061 20 30 CEEDLO C[C@H](Nc1ccc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000264331337 190104338 /nfs/dbraw/zinc/10/43/38/190104338.db2.gz XCZPYPYFSNUINM-RYUDHWBXSA-N 1 2 277.343 2.218 20 30 CEEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2)no1 ZINC000264397757 190106743 /nfs/dbraw/zinc/10/67/43/190106743.db2.gz ZUDXGKRWNGFCSN-UHFFFAOYSA-N 1 2 256.309 2.275 20 30 CEEDLO C[C@@H](CC#N)N(C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420937061 376743843 /nfs/dbraw/zinc/74/38/43/376743843.db2.gz NBTMIWLGVDRIEZ-HNNXBMFYSA-N 1 2 287.407 2.253 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420937061 376743846 /nfs/dbraw/zinc/74/38/46/376743846.db2.gz NBTMIWLGVDRIEZ-HNNXBMFYSA-N 1 2 287.407 2.253 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420937061 376743852 /nfs/dbraw/zinc/74/38/52/376743852.db2.gz NBTMIWLGVDRIEZ-HNNXBMFYSA-N 1 2 287.407 2.253 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CC[C@@H](F)C1 ZINC000329296407 376939543 /nfs/dbraw/zinc/93/95/43/376939543.db2.gz SVFVBJHBGUUEOD-QJPTWQEYSA-N 1 2 280.347 2.155 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329781686 377013470 /nfs/dbraw/zinc/01/34/70/377013470.db2.gz SYEYZLHFKLYJSI-MELADBBJSA-N 1 2 291.395 2.421 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329781686 377013482 /nfs/dbraw/zinc/01/34/82/377013482.db2.gz SYEYZLHFKLYJSI-MELADBBJSA-N 1 2 291.395 2.421 20 30 CEEDLO C=CCCCS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000292481278 377250261 /nfs/dbraw/zinc/25/02/61/377250261.db2.gz FMZMZWQKCFDKKM-KBPBESRZSA-N 1 2 297.424 2.062 20 30 CEEDLO COCC1(C#N)CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425251083 377336047 /nfs/dbraw/zinc/33/60/47/377336047.db2.gz GYONEHPFAYBODO-UHFFFAOYSA-N 1 2 270.336 2.018 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000426226911 377395116 /nfs/dbraw/zinc/39/51/16/377395116.db2.gz NKHXWKQZMRHGOR-CABCVRRESA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000426226911 377395123 /nfs/dbraw/zinc/39/51/23/377395123.db2.gz NKHXWKQZMRHGOR-CABCVRRESA-N 1 2 297.443 2.141 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000293078033 377419437 /nfs/dbraw/zinc/41/94/37/377419437.db2.gz JLJIBEPXGLSHQK-UHFFFAOYSA-N 1 2 282.290 2.182 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000293078033 377419446 /nfs/dbraw/zinc/41/94/46/377419446.db2.gz JLJIBEPXGLSHQK-UHFFFAOYSA-N 1 2 282.290 2.182 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)ccc1C#N ZINC000332292671 377561536 /nfs/dbraw/zinc/56/15/36/377561536.db2.gz JQDWFYQJHVOPDU-CQSZACIVSA-N 1 2 298.346 2.335 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)ccc1C#N ZINC000332292671 377561543 /nfs/dbraw/zinc/56/15/43/377561543.db2.gz JQDWFYQJHVOPDU-CQSZACIVSA-N 1 2 298.346 2.335 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000332830283 377705727 /nfs/dbraw/zinc/70/57/27/377705727.db2.gz QHYFKGDVMJLLBF-DVOMOZLQSA-N 1 2 286.379 2.034 20 30 CEEDLO C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000332707857 377677160 /nfs/dbraw/zinc/67/71/60/377677160.db2.gz KODCWZMJFOCFCY-BBRMVZONSA-N 1 2 299.418 2.488 20 30 CEEDLO C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000332707857 377677165 /nfs/dbraw/zinc/67/71/65/377677165.db2.gz KODCWZMJFOCFCY-BBRMVZONSA-N 1 2 299.418 2.488 20 30 CEEDLO Cc1ccc(CCNc2ncc3c(c2C#N)CCC3)[nH+]c1 ZINC000566064489 377715762 /nfs/dbraw/zinc/71/57/62/377715762.db2.gz BRAFANSDPBKZLE-UHFFFAOYSA-N 1 2 278.359 2.222 20 30 CEEDLO Cc1csc(NC(=O)N2CCn3c[nH+]cc3C2)c1C#N ZINC000566922749 377784004 /nfs/dbraw/zinc/78/40/04/377784004.db2.gz CAPKMTHHISDJTI-UHFFFAOYSA-N 1 2 287.348 2.172 20 30 CEEDLO CC1(C)C[NH+](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000566436435 377760220 /nfs/dbraw/zinc/76/02/20/377760220.db2.gz JMGUVPDVEXRYIA-CYBMUJFWSA-N 1 2 291.782 2.363 20 30 CEEDLO CN(Cc1ccccc1F)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433298651 377785142 /nfs/dbraw/zinc/78/51/42/377785142.db2.gz PBAPZRDADRNDJE-UHFFFAOYSA-N 1 2 291.370 2.266 20 30 CEEDLO CN(Cc1ccccc1F)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433298651 377785148 /nfs/dbraw/zinc/78/51/48/377785148.db2.gz PBAPZRDADRNDJE-UHFFFAOYSA-N 1 2 291.370 2.266 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC000435603477 377806900 /nfs/dbraw/zinc/80/69/00/377806900.db2.gz IVTMWJKWEPKTHQ-CJNGLKHVSA-N 1 2 287.407 2.479 20 30 CEEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1Cl ZINC000435534346 377807081 /nfs/dbraw/zinc/80/70/81/377807081.db2.gz MOPWPGUQRMQGRU-GFCCVEGCSA-N 1 2 282.771 2.234 20 30 CEEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1Cl ZINC000435534346 377807087 /nfs/dbraw/zinc/80/70/87/377807087.db2.gz MOPWPGUQRMQGRU-GFCCVEGCSA-N 1 2 282.771 2.234 20 30 CEEDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433320032 377789584 /nfs/dbraw/zinc/78/95/84/377789584.db2.gz SMPTZJSIHXPJTN-NEPJUHHUSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433320032 377789591 /nfs/dbraw/zinc/78/95/91/377789591.db2.gz SMPTZJSIHXPJTN-NEPJUHHUSA-N 1 2 253.390 2.161 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)CC(C)(C)C#N ZINC000433315760 377790187 /nfs/dbraw/zinc/79/01/87/377790187.db2.gz FRQHONLFNHGSGX-GFCCVEGCSA-N 1 2 291.370 2.312 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)CC(C)(C)C#N ZINC000433315760 377790193 /nfs/dbraw/zinc/79/01/93/377790193.db2.gz FRQHONLFNHGSGX-GFCCVEGCSA-N 1 2 291.370 2.312 20 30 CEEDLO C=CC(C)(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000294438421 377987921 /nfs/dbraw/zinc/98/79/21/377987921.db2.gz MPKRQZXEDURRLN-UHFFFAOYSA-N 1 2 270.336 2.096 20 30 CEEDLO C#CCO[C@H](C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000295078142 378040059 /nfs/dbraw/zinc/04/00/59/378040059.db2.gz DDRXQMFQRXCQDC-GFCCVEGCSA-N 1 2 283.331 2.362 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295650059 378250666 /nfs/dbraw/zinc/25/06/66/378250666.db2.gz QCYZBJQFQPDQAZ-SNVBAGLBSA-N 1 2 291.189 2.058 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295650059 378250667 /nfs/dbraw/zinc/25/06/67/378250667.db2.gz QCYZBJQFQPDQAZ-SNVBAGLBSA-N 1 2 291.189 2.058 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000298514183 378752686 /nfs/dbraw/zinc/75/26/86/378752686.db2.gz SNWDTPLKROXOKY-UHFFFAOYSA-N 1 2 297.362 2.116 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000514856225 379159193 /nfs/dbraw/zinc/15/91/93/379159193.db2.gz VSZVAIXASFYEMN-MRXNPFEDSA-N 1 2 293.374 2.465 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000514792166 379151146 /nfs/dbraw/zinc/15/11/46/379151146.db2.gz IDCKTVJKIFSMFJ-DOTOQJQBSA-N 1 2 298.390 2.034 20 30 CEEDLO Cc1ccc2oc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2c1 ZINC000515063514 379185024 /nfs/dbraw/zinc/18/50/24/379185024.db2.gz VCIKVYJINKXFGR-INIZCTEOSA-N 1 2 285.347 2.315 20 30 CEEDLO Cc1cc([NH+](C)C)ccc1Nc1nccnc1C#N ZINC000301180166 379212430 /nfs/dbraw/zinc/21/24/30/379212430.db2.gz MSZSUWJWZKCWQS-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO COc1cccc2c1CN(C[NH+]1CCC(CC#N)CC1)C2=O ZINC000530098250 380195081 /nfs/dbraw/zinc/19/50/81/380195081.db2.gz ZIQCGQLEIQQAFU-UHFFFAOYSA-N 1 2 299.374 2.234 20 30 CEEDLO N#CC1(c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2)CC1 ZINC000537472373 380240437 /nfs/dbraw/zinc/24/04/37/380240437.db2.gz XSBQLWHVWYDWTH-UHFFFAOYSA-N 1 2 292.342 2.135 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000537249315 380240643 /nfs/dbraw/zinc/24/06/43/380240643.db2.gz QKUJGRVATONLTF-SNVBAGLBSA-N 1 2 262.275 2.333 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000537249315 380240649 /nfs/dbraw/zinc/24/06/49/380240649.db2.gz QKUJGRVATONLTF-SNVBAGLBSA-N 1 2 262.275 2.333 20 30 CEEDLO C=CCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279079679 194275120 /nfs/dbraw/zinc/27/51/20/194275120.db2.gz DXUBTPNWCCUNJH-GFCCVEGCSA-N 1 2 262.357 2.265 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000492631211 380636089 /nfs/dbraw/zinc/63/60/89/380636089.db2.gz KGQBDSIQLNKUST-KIUWMYQTSA-N 1 2 274.368 2.361 20 30 CEEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cn[nH]c1 ZINC000494650423 381161938 /nfs/dbraw/zinc/16/19/38/381161938.db2.gz DGDMMHDBPVGBLP-JTQLQIEISA-N 1 2 294.318 2.182 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1F ZINC000335310216 208160350 /nfs/dbraw/zinc/16/03/50/208160350.db2.gz RCIVTSHXFVIAMJ-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1F ZINC000335310216 208160356 /nfs/dbraw/zinc/16/03/56/208160356.db2.gz RCIVTSHXFVIAMJ-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000116939410 260008059 /nfs/dbraw/zinc/00/80/59/260008059.db2.gz ULGAHPBCQAURKA-CYBMUJFWSA-N 1 2 288.395 2.446 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000157154080 533269731 /nfs/dbraw/zinc/26/97/31/533269731.db2.gz AWVKIJLEFGNSKS-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000157154080 533269734 /nfs/dbraw/zinc/26/97/34/533269734.db2.gz AWVKIJLEFGNSKS-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO Cc1cc[nH+]cc1N1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413269901 394517067 /nfs/dbraw/zinc/51/70/67/394517067.db2.gz OGPVZQXXMWVLNN-UHFFFAOYSA-N 1 2 297.337 2.122 20 30 CEEDLO Cc1nsc(C)c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328972416 394559095 /nfs/dbraw/zinc/55/90/95/394559095.db2.gz BUEPMJPCNPVDCX-SNVBAGLBSA-N 1 2 276.365 2.276 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329569472 394573270 /nfs/dbraw/zinc/57/32/70/394573270.db2.gz IJDCNNYJJAOKGG-LALPHHSUSA-N 1 2 290.367 2.187 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329569472 394573274 /nfs/dbraw/zinc/57/32/74/394573274.db2.gz IJDCNNYJJAOKGG-LALPHHSUSA-N 1 2 290.367 2.187 20 30 CEEDLO CC(C)(C#N)CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000334269786 394670387 /nfs/dbraw/zinc/67/03/87/394670387.db2.gz DKZSFQDCXGOIGN-NSHDSACASA-N 1 2 275.356 2.196 20 30 CEEDLO Cc1cccn2cc(CC(=O)NC3(C#N)CCCC3)[nH+]c12 ZINC000334186990 394661302 /nfs/dbraw/zinc/66/13/02/394661302.db2.gz HSQDVVCYXMHVNZ-UHFFFAOYSA-N 1 2 282.347 2.138 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000093461446 394666324 /nfs/dbraw/zinc/66/63/24/394666324.db2.gz ZBJIWEBFEKQNGK-UHFFFAOYSA-N 1 2 277.751 2.426 20 30 CEEDLO CC[C@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330514754 394616948 /nfs/dbraw/zinc/61/69/48/394616948.db2.gz LMMBFYSUIINCKS-QMMMGPOBSA-N 1 2 278.278 2.248 20 30 CEEDLO Cc1cccc(N2CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000334243980 394668287 /nfs/dbraw/zinc/66/82/87/394668287.db2.gz YZKWUXQTQXTBJC-UHFFFAOYSA-N 1 2 255.365 2.421 20 30 CEEDLO C[C@H]1CCC[C@](C#N)(NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000265362825 394648407 /nfs/dbraw/zinc/64/84/07/394648407.db2.gz MLRZUOBHMUFHIN-GUYCJALGSA-N 1 2 296.374 2.465 20 30 CEEDLO CCOC(=O)CC[C@@H](C)/[NH+]=C/c1cccc(O)c1O ZINC000270521668 394735808 /nfs/dbraw/zinc/73/58/08/394735808.db2.gz SWMIBAYBMJUUGR-KXUVPBGPSA-N 1 2 265.309 2.249 20 30 CEEDLO Cc1[nH+]cn(-c2ccc(NC(=O)CC#N)cc2)c1C ZINC000334303043 394673157 /nfs/dbraw/zinc/67/31/57/394673157.db2.gz AYFDMSIITGOLOI-UHFFFAOYSA-N 1 2 254.293 2.341 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000334406577 394683045 /nfs/dbraw/zinc/68/30/45/394683045.db2.gz GUIKDEGBUQFEGV-JSGCOSHPSA-N 1 2 281.375 2.151 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](C)(F)C1 ZINC000334406577 394683049 /nfs/dbraw/zinc/68/30/49/394683049.db2.gz GUIKDEGBUQFEGV-JSGCOSHPSA-N 1 2 281.375 2.151 20 30 CEEDLO COc1cccc(/C=[NH+]/CC2CCN(C(C)=O)CC2)c1O ZINC000105356759 394722028 /nfs/dbraw/zinc/72/20/28/394722028.db2.gz UMHZMSRSALDXDH-GZTJUZNOSA-N 1 2 290.363 2.078 20 30 CEEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067445 394723610 /nfs/dbraw/zinc/72/36/10/394723610.db2.gz SGYLILVOLUTLLN-UHFFFAOYSA-N 1 2 297.786 2.086 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC([N@H+](CC#N)C2CC2)CC1 ZINC000360173282 394792017 /nfs/dbraw/zinc/79/20/17/394792017.db2.gz NAOTXDFYMKRKRX-UHFFFAOYSA-N 1 2 279.384 2.374 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC([N@@H+](CC#N)C2CC2)CC1 ZINC000360173282 394792019 /nfs/dbraw/zinc/79/20/19/394792019.db2.gz NAOTXDFYMKRKRX-UHFFFAOYSA-N 1 2 279.384 2.374 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1cn(C)nc1C(F)F)C1CC1 ZINC000361181785 394819020 /nfs/dbraw/zinc/81/90/20/394819020.db2.gz RBQXRFYIVSYUCF-VIFPVBQESA-N 1 2 268.311 2.482 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1cn(C)nc1C(F)F)C1CC1 ZINC000361181785 394819022 /nfs/dbraw/zinc/81/90/22/394819022.db2.gz RBQXRFYIVSYUCF-VIFPVBQESA-N 1 2 268.311 2.482 20 30 CEEDLO C[C@H](C#N)C[N@H+](CCn1cnc2ccccc2c1=O)C1CC1 ZINC000338353987 394916321 /nfs/dbraw/zinc/91/63/21/394916321.db2.gz SYNYLXNKFQNXEA-CYBMUJFWSA-N 1 2 296.374 2.021 20 30 CEEDLO C[C@H](C#N)C[N@@H+](CCn1cnc2ccccc2c1=O)C1CC1 ZINC000338353987 394916322 /nfs/dbraw/zinc/91/63/22/394916322.db2.gz SYNYLXNKFQNXEA-CYBMUJFWSA-N 1 2 296.374 2.021 20 30 CEEDLO C[C@H](N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)C(F)(F)F ZINC000339013702 394936613 /nfs/dbraw/zinc/93/66/13/394936613.db2.gz MYHPKUBPRIZZTA-SDDRHHMPSA-N 1 2 275.318 2.247 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000339200183 394950764 /nfs/dbraw/zinc/95/07/64/394950764.db2.gz HQZQRRCLBZOZKZ-DGCLKSJQSA-N 1 2 287.319 2.481 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000339200183 394950767 /nfs/dbraw/zinc/95/07/67/394950767.db2.gz HQZQRRCLBZOZKZ-DGCLKSJQSA-N 1 2 287.319 2.481 20 30 CEEDLO N#CCC[C@@H](C#N)Cn1cc[nH+]c1-c1cccnc1 ZINC000151945327 394982275 /nfs/dbraw/zinc/98/22/75/394982275.db2.gz SMPICTZGRPFGTP-LBPRGKRZSA-N 1 2 251.293 2.389 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)nc1 ZINC000369312908 394998018 /nfs/dbraw/zinc/99/80/18/394998018.db2.gz UHKBMXVDYOZYCJ-UHFFFAOYSA-N 1 2 267.336 2.122 20 30 CEEDLO CO[C@@H](CNc1cc(C)[nH+]cc1C#N)c1ccccc1 ZINC000425202924 395052473 /nfs/dbraw/zinc/05/24/73/395052473.db2.gz DKZBOWMAPNPTCQ-INIZCTEOSA-N 1 2 267.332 2.483 20 30 CEEDLO Cc1cc(NCCC[C@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000425230383 395053379 /nfs/dbraw/zinc/05/33/79/395053379.db2.gz BYPIMYYLDONCTC-CQSZACIVSA-N 1 2 259.353 2.445 20 30 CEEDLO Cc1cc(NC[C@](C)(O)CCC(C)C)c(C#N)c[nH+]1 ZINC000425237335 395054034 /nfs/dbraw/zinc/05/40/34/395054034.db2.gz RSOIEONUZJLGCH-OAHLLOKOSA-N 1 2 261.369 2.283 20 30 CEEDLO Cc1cc(NCC[C@H]2CCO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425250012 395054690 /nfs/dbraw/zinc/05/46/90/395054690.db2.gz VEKDZZZKUTVNLF-OLZOCXBDSA-N 1 2 259.353 2.301 20 30 CEEDLO Cc1cc(NC[C@H]2COc3ccccc32)c(C#N)c[nH+]1 ZINC000425268163 395055484 /nfs/dbraw/zinc/05/54/84/395055484.db2.gz NKPXTLZUUUOIHA-ZDUSSCGKSA-N 1 2 265.316 2.272 20 30 CEEDLO C#C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)(C)C ZINC000288716824 395065596 /nfs/dbraw/zinc/06/55/96/395065596.db2.gz YGRNFXYTWVZBCE-ZDUSSCGKSA-N 1 2 288.395 2.347 20 30 CEEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000373793338 395065868 /nfs/dbraw/zinc/06/58/68/395065868.db2.gz SWKIHXWHFPGEPW-HOCLYGCPSA-N 1 2 291.395 2.090 20 30 CEEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000373793338 395065871 /nfs/dbraw/zinc/06/58/71/395065871.db2.gz SWKIHXWHFPGEPW-HOCLYGCPSA-N 1 2 291.395 2.090 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000374290574 395079549 /nfs/dbraw/zinc/07/95/49/395079549.db2.gz DOPOALFRUOVYGU-INIZCTEOSA-N 1 2 276.355 2.168 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000374290574 395079553 /nfs/dbraw/zinc/07/95/53/395079553.db2.gz DOPOALFRUOVYGU-INIZCTEOSA-N 1 2 276.355 2.168 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCCC#N ZINC000374286394 395079896 /nfs/dbraw/zinc/07/98/96/395079896.db2.gz GBDBWWDJRRQIQZ-CYBMUJFWSA-N 1 2 262.357 2.094 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCCC#N ZINC000374286394 395079898 /nfs/dbraw/zinc/07/98/98/395079898.db2.gz GBDBWWDJRRQIQZ-CYBMUJFWSA-N 1 2 262.357 2.094 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)cn1 ZINC000169288811 395089160 /nfs/dbraw/zinc/08/91/60/395089160.db2.gz GHCADBDUBQYVFZ-SECBINFHSA-N 1 2 268.158 2.436 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)cn1 ZINC000169288811 395089163 /nfs/dbraw/zinc/08/91/63/395089163.db2.gz GHCADBDUBQYVFZ-SECBINFHSA-N 1 2 268.158 2.436 20 30 CEEDLO CC#CCCCc1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000346901155 395113596 /nfs/dbraw/zinc/11/35/96/395113596.db2.gz SJPZXOZYSRXCOG-KGLIPLIRSA-N 1 2 289.379 2.341 20 30 CEEDLO CC#CCCCc1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000346901155 395113599 /nfs/dbraw/zinc/11/35/99/395113599.db2.gz SJPZXOZYSRXCOG-KGLIPLIRSA-N 1 2 289.379 2.341 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C(C)(C)C#N)C[C@@H]2C1 ZINC000497146082 395160564 /nfs/dbraw/zinc/16/05/64/395160564.db2.gz IIWHEIPINBVNRC-OLZOCXBDSA-N 1 2 293.411 2.477 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C(C)(C)C#N)C[C@@H]2C1 ZINC000497146082 395160568 /nfs/dbraw/zinc/16/05/68/395160568.db2.gz IIWHEIPINBVNRC-OLZOCXBDSA-N 1 2 293.411 2.477 20 30 CEEDLO N#CCC[N@H+](CCCSCC#N)Cc1ccccn1 ZINC000178384055 395165810 /nfs/dbraw/zinc/16/58/10/395165810.db2.gz AGBIBQICPUZIJS-UHFFFAOYSA-N 1 2 274.393 2.444 20 30 CEEDLO N#CCC[N@@H+](CCCSCC#N)Cc1ccccn1 ZINC000178384055 395165816 /nfs/dbraw/zinc/16/58/16/395165816.db2.gz AGBIBQICPUZIJS-UHFFFAOYSA-N 1 2 274.393 2.444 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000291850711 395174698 /nfs/dbraw/zinc/17/46/98/395174698.db2.gz JQUHAJDJRRNTHY-UHFFFAOYSA-N 1 2 264.373 2.308 20 30 CEEDLO N#CCN1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000349977097 395177917 /nfs/dbraw/zinc/17/79/17/395177917.db2.gz QQWFHYGSEXYKCP-UPHRSURJSA-N 1 2 277.318 2.119 20 30 CEEDLO CCCCn1nnnc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000521212733 395253684 /nfs/dbraw/zinc/25/36/84/395253684.db2.gz PDLXXPIMNMSYIA-LBPRGKRZSA-N 1 2 284.367 2.196 20 30 CEEDLO Cc1ccc[nH+]c1CCCNc1ccncc1C#N ZINC000516714407 395183705 /nfs/dbraw/zinc/18/37/05/395183705.db2.gz UBPWKQLKFVUHIG-UHFFFAOYSA-N 1 2 252.321 2.123 20 30 CEEDLO C=CCCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000519676032 395206010 /nfs/dbraw/zinc/20/60/10/395206010.db2.gz ARYGBNLMIWVQFB-NSHDSACASA-N 1 2 259.353 2.130 20 30 CEEDLO C=CCCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000519676032 395206016 /nfs/dbraw/zinc/20/60/16/395206016.db2.gz ARYGBNLMIWVQFB-NSHDSACASA-N 1 2 259.353 2.130 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000293167071 395222497 /nfs/dbraw/zinc/22/24/97/395222497.db2.gz OZEBBLHUKUQJAH-KRWDZBQOSA-N 1 2 270.376 2.209 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000293167071 395222504 /nfs/dbraw/zinc/22/25/04/395222504.db2.gz OZEBBLHUKUQJAH-KRWDZBQOSA-N 1 2 270.376 2.209 20 30 CEEDLO C/C(Cl)=C\C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000528402578 395289984 /nfs/dbraw/zinc/28/99/84/395289984.db2.gz HFEHAMYVSUHBHS-JPOQUURFSA-N 1 2 291.786 2.001 20 30 CEEDLO C/C(Cl)=C\C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000528402578 395289987 /nfs/dbraw/zinc/28/99/87/395289987.db2.gz HFEHAMYVSUHBHS-JPOQUURFSA-N 1 2 291.786 2.001 20 30 CEEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000187302991 395298577 /nfs/dbraw/zinc/29/85/77/395298577.db2.gz IHKQFVWMQOPEPH-INIZCTEOSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000187302991 395298580 /nfs/dbraw/zinc/29/85/80/395298580.db2.gz IHKQFVWMQOPEPH-INIZCTEOSA-N 1 2 289.354 2.188 20 30 CEEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000354125317 395315809 /nfs/dbraw/zinc/31/58/09/395315809.db2.gz QTKVAZVNZRVHFW-UHFFFAOYSA-N 1 2 299.418 2.472 20 30 CEEDLO COC(=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000352481154 395259252 /nfs/dbraw/zinc/25/92/52/395259252.db2.gz DGGRRGGWWMQWOB-UHFFFAOYSA-N 1 2 282.340 2.362 20 30 CEEDLO Cc1[nH+]c2cc(CNC(=O)[C@H](C)C#N)ccc2n1C1CC1 ZINC000412331366 395354626 /nfs/dbraw/zinc/35/46/26/395354626.db2.gz NPTIEGGALFGISX-SNVBAGLBSA-N 1 2 282.347 2.456 20 30 CEEDLO C[C@H]([NH2+]CCC#N)c1ccc(Br)cn1 ZINC000411675278 395336159 /nfs/dbraw/zinc/33/61/59/395336159.db2.gz ZCLPZWWVMBIVJC-QMMMGPOBSA-N 1 2 254.131 2.408 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411869291 395340234 /nfs/dbraw/zinc/34/02/34/395340234.db2.gz DUMFCSZXTRJOSR-HOCLYGCPSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411869291 395340236 /nfs/dbraw/zinc/34/02/36/395340236.db2.gz DUMFCSZXTRJOSR-HOCLYGCPSA-N 1 2 294.439 2.300 20 30 CEEDLO CCc1nc(C[NH2+]Cc2cc(C#N)n(C)c2)cs1 ZINC000190984968 395346811 /nfs/dbraw/zinc/34/68/11/395346811.db2.gz UDCYLZSADLXOPW-UHFFFAOYSA-N 1 2 260.366 2.205 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nnc2n1CCC2 ZINC000531016761 395457989 /nfs/dbraw/zinc/45/79/89/395457989.db2.gz VTXVOHYDHBXTRL-LBPRGKRZSA-N 1 2 281.363 2.289 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531016761 395457990 /nfs/dbraw/zinc/45/79/90/395457990.db2.gz VTXVOHYDHBXTRL-LBPRGKRZSA-N 1 2 281.363 2.289 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000459444875 395666148 /nfs/dbraw/zinc/66/61/48/395666148.db2.gz MELGHMUDPRXVMF-ABAIWWIYSA-N 1 2 289.335 2.323 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000459444875 395666149 /nfs/dbraw/zinc/66/61/49/395666149.db2.gz MELGHMUDPRXVMF-ABAIWWIYSA-N 1 2 289.335 2.323 20 30 CEEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000491629348 395670196 /nfs/dbraw/zinc/67/01/96/395670196.db2.gz OCPGDQGITANHIH-CYBMUJFWSA-N 1 2 273.380 2.383 20 30 CEEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000491629348 395670197 /nfs/dbraw/zinc/67/01/97/395670197.db2.gz OCPGDQGITANHIH-CYBMUJFWSA-N 1 2 273.380 2.383 20 30 CEEDLO C=CCn1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)nn1 ZINC000648230360 395869573 /nfs/dbraw/zinc/86/95/73/395869573.db2.gz ZTQLDPSVGDPYSQ-UHFFFAOYSA-N 1 2 271.324 2.037 20 30 CEEDLO C=C(C)[C@H](CO)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000649393490 396140098 /nfs/dbraw/zinc/14/00/98/396140098.db2.gz WXSSNVRZSPTQDF-PBHICJAKSA-N 1 2 292.398 2.441 20 30 CEEDLO Cc1cccc(CCNc2ccc(Cl)c(C#N)n2)[nH+]1 ZINC000359840135 155147470 /nfs/dbraw/zinc/14/74/70/155147470.db2.gz CJBVTOQAGNQYLA-UHFFFAOYSA-N 1 2 272.739 2.387 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360311773 155269885 /nfs/dbraw/zinc/26/98/85/155269885.db2.gz RDCYZHMHZNOKOY-JTQLQIEISA-N 1 2 268.320 2.010 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC2CCC1CC2 ZINC000367565468 156205935 /nfs/dbraw/zinc/20/59/35/156205935.db2.gz RDAIHNZIPGOJPC-UHFFFAOYSA-N 1 2 275.377 2.433 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC2CCC1CC2 ZINC000367565468 156205937 /nfs/dbraw/zinc/20/59/37/156205937.db2.gz RDAIHNZIPGOJPC-UHFFFAOYSA-N 1 2 275.377 2.433 20 30 CEEDLO N#Cc1ncccc1N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368176292 156299420 /nfs/dbraw/zinc/29/94/20/156299420.db2.gz MBRNAYIYDDZLDV-CYBMUJFWSA-N 1 2 279.347 2.429 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000375526607 157106428 /nfs/dbraw/zinc/10/64/28/157106428.db2.gz RQHRYDVREJFYTH-OAHLLOKOSA-N 1 2 294.358 2.312 20 30 CEEDLO CC[C@H](C)[C@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000183676013 165406758 /nfs/dbraw/zinc/40/67/58/165406758.db2.gz SVSSOZCLXHUZQX-WFASDCNBSA-N 1 2 290.363 2.114 20 30 CEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C1(CO)CC1 ZINC000285484581 196300471 /nfs/dbraw/zinc/30/04/71/196300471.db2.gz LQRHFVSSWQEVRV-UHFFFAOYSA-N 1 2 295.180 2.277 20 30 CEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C1(CO)CC1 ZINC000285484581 196300472 /nfs/dbraw/zinc/30/04/72/196300472.db2.gz LQRHFVSSWQEVRV-UHFFFAOYSA-N 1 2 295.180 2.277 20 30 CEEDLO Cc1cc(N2CC(C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425269742 414814355 /nfs/dbraw/zinc/81/43/55/414814355.db2.gz ROPYGXPJPFYSKW-UHFFFAOYSA-N 1 2 273.336 2.040 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2OC)nn1 ZINC000657393633 414909704 /nfs/dbraw/zinc/90/97/04/414909704.db2.gz CGPYWHMJYKUREG-UHFFFAOYSA-N 1 2 286.379 2.461 20 30 CEEDLO C=CCOc1ccccc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654770984 415029709 /nfs/dbraw/zinc/02/97/09/415029709.db2.gz IVICHJXQGHXVTI-UHFFFAOYSA-N 1 2 288.391 2.209 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)COC ZINC000661240774 415151299 /nfs/dbraw/zinc/15/12/99/415151299.db2.gz QYLVGDIIRPIWFB-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)COC ZINC000661240774 415151306 /nfs/dbraw/zinc/15/13/06/415151306.db2.gz QYLVGDIIRPIWFB-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@H+](Cc1nc(N)c2ccccc2n1)[C@@H](C)COC ZINC000661243705 415154712 /nfs/dbraw/zinc/15/47/12/415154712.db2.gz LXOMDERWWQMMKY-LBPRGKRZSA-N 1 2 286.379 2.235 20 30 CEEDLO C=CC[N@@H+](Cc1nc(N)c2ccccc2n1)[C@@H](C)COC ZINC000661243705 415154719 /nfs/dbraw/zinc/15/47/19/415154719.db2.gz LXOMDERWWQMMKY-LBPRGKRZSA-N 1 2 286.379 2.235 20 30 CEEDLO C=CC[N@H+](Cc1nc(-c2ccoc2)no1)[C@@H](C)COC ZINC000661243956 415154767 /nfs/dbraw/zinc/15/47/67/415154767.db2.gz OMWSYNDWOTVCTA-NSHDSACASA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@@H+](Cc1nc(-c2ccoc2)no1)[C@@H](C)COC ZINC000661243956 415154770 /nfs/dbraw/zinc/15/47/70/415154770.db2.gz OMWSYNDWOTVCTA-NSHDSACASA-N 1 2 277.324 2.353 20 30 CEEDLO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000046529317 175397505 /nfs/dbraw/zinc/39/75/05/175397505.db2.gz DRSNXTMGRNIHMX-LBPRGKRZSA-N 1 2 298.346 2.314 20 30 CEEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000046529317 175397506 /nfs/dbraw/zinc/39/75/06/175397506.db2.gz DRSNXTMGRNIHMX-LBPRGKRZSA-N 1 2 298.346 2.314 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833457 415491499 /nfs/dbraw/zinc/49/14/99/415491499.db2.gz SHRJZVZRVDYXIP-JSGCOSHPSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833457 415491500 /nfs/dbraw/zinc/49/15/00/415491500.db2.gz SHRJZVZRVDYXIP-JSGCOSHPSA-N 1 2 273.380 2.155 20 30 CEEDLO CC(=O)c1cc(C#N)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000661899536 415525590 /nfs/dbraw/zinc/52/55/90/415525590.db2.gz HTMAQYJPTDCDAU-UHFFFAOYSA-N 1 2 296.330 2.376 20 30 CEEDLO C=CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H](C)COC ZINC000665065220 415570470 /nfs/dbraw/zinc/57/04/70/415570470.db2.gz DMFOFHHSCKLYEN-CQSZACIVSA-N 1 2 291.395 2.431 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000665255635 415654460 /nfs/dbraw/zinc/65/44/60/415654460.db2.gz YKXVKFCAOHVWSI-HUUCEWRRSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000665255635 415654463 /nfs/dbraw/zinc/65/44/63/415654463.db2.gz YKXVKFCAOHVWSI-HUUCEWRRSA-N 1 2 297.443 2.141 20 30 CEEDLO CCC#C[C@H](C)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000656579741 415774832 /nfs/dbraw/zinc/77/48/32/415774832.db2.gz WMTBHHREBSVSRN-STQMWFEESA-N 1 2 291.420 2.091 20 30 CEEDLO CCC#C[C@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000656579741 415774839 /nfs/dbraw/zinc/77/48/39/415774839.db2.gz WMTBHHREBSVSRN-STQMWFEESA-N 1 2 291.420 2.091 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000656544708 415756205 /nfs/dbraw/zinc/75/62/05/415756205.db2.gz UCPJAZOYDKYLRJ-KGLIPLIRSA-N 1 2 276.384 2.269 20 30 CEEDLO N#Cc1cc(NC(=O)NCCCn2cc[nH+]c2)ccc1F ZINC000077499979 177275733 /nfs/dbraw/zinc/27/57/33/177275733.db2.gz GKBOTTYLDDCLQQ-UHFFFAOYSA-N 1 2 287.298 2.106 20 30 CEEDLO N#CCCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000344242949 225004068 /nfs/dbraw/zinc/00/40/68/225004068.db2.gz OVXLXCNWEZTFJT-UHFFFAOYSA-N 1 2 291.782 2.288 20 30 CEEDLO N#CCCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000344242949 225004074 /nfs/dbraw/zinc/00/40/74/225004074.db2.gz OVXLXCNWEZTFJT-UHFFFAOYSA-N 1 2 291.782 2.288 20 30 CEEDLO CC(C)n1cc(C#N)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000566740643 299019460 /nfs/dbraw/zinc/01/94/60/299019460.db2.gz LDVFMPCZWZEETH-LLVKDONJSA-N 1 2 286.339 2.122 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000336500839 227073943 /nfs/dbraw/zinc/07/39/43/227073943.db2.gz VGLIVXVBFVJANX-DZGCQCFKSA-N 1 2 280.331 2.294 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1C[C@]12CCOC2 ZINC000329758192 227938992 /nfs/dbraw/zinc/93/89/92/227938992.db2.gz ZVNHHCNTAWFFRJ-HUBLWGQQSA-N 1 2 275.352 2.144 20 30 CEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCS1 ZINC000329778706 227945509 /nfs/dbraw/zinc/94/55/09/227945509.db2.gz QISGSKGIYPPBGV-GFCCVEGCSA-N 1 2 294.424 2.119 20 30 CEEDLO CCn1nc(C)c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000330306978 228121949 /nfs/dbraw/zinc/12/19/49/228121949.db2.gz LPLSKUSRZNFTFP-GFCCVEGCSA-N 1 2 287.367 2.036 20 30 CEEDLO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187916141 260066111 /nfs/dbraw/zinc/06/61/11/260066111.db2.gz YHQIVVJRJDKGKI-BDAKNGLRSA-N 1 2 257.280 2.258 20 30 CEEDLO N#CCCN(C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000521384577 260092317 /nfs/dbraw/zinc/09/23/17/260092317.db2.gz KPFKIAXZOKSIMB-UHFFFAOYSA-N 1 2 286.310 2.428 20 30 CEEDLO N#CCCN(C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000521384577 260092318 /nfs/dbraw/zinc/09/23/18/260092318.db2.gz KPFKIAXZOKSIMB-UHFFFAOYSA-N 1 2 286.310 2.428 20 30 CEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1nccs1 ZINC000297990725 260140642 /nfs/dbraw/zinc/14/06/42/260140642.db2.gz WZGMXQIYKPUMDA-JTQLQIEISA-N 1 2 251.355 2.144 20 30 CEEDLO C#C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000298024134 260141271 /nfs/dbraw/zinc/14/12/71/260141271.db2.gz PZWCDCCDFNKPQM-QLFBSQMISA-N 1 2 288.395 2.133 20 30 CEEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000298701371 260161642 /nfs/dbraw/zinc/16/16/42/260161642.db2.gz VOXTURZKXRVOGC-GFCCVEGCSA-N 1 2 288.347 2.416 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062952 260329405 /nfs/dbraw/zinc/32/94/05/260329405.db2.gz LXTDEYLACURPRI-UHFFFAOYSA-N 1 2 263.385 2.037 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062952 260329406 /nfs/dbraw/zinc/32/94/06/260329406.db2.gz LXTDEYLACURPRI-UHFFFAOYSA-N 1 2 263.385 2.037 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000157622284 260852565 /nfs/dbraw/zinc/85/25/65/260852565.db2.gz SYRXAHIDJNLPSS-KGLIPLIRSA-N 1 2 290.411 2.199 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000157622284 260852567 /nfs/dbraw/zinc/85/25/67/260852567.db2.gz SYRXAHIDJNLPSS-KGLIPLIRSA-N 1 2 290.411 2.199 20 30 CEEDLO COCC[N@H+](Cc1ccc(C#N)o1)Cc1cncs1 ZINC000448370371 261131332 /nfs/dbraw/zinc/13/13/32/261131332.db2.gz HVFYKIVWQAQUPB-UHFFFAOYSA-N 1 2 277.349 2.256 20 30 CEEDLO COCC[N@@H+](Cc1ccc(C#N)o1)Cc1cncs1 ZINC000448370371 261131333 /nfs/dbraw/zinc/13/13/33/261131333.db2.gz HVFYKIVWQAQUPB-UHFFFAOYSA-N 1 2 277.349 2.256 20 30 CEEDLO Cc1cc(NCCc2ccc3c(c2)OCO3)c(C#N)c[nH+]1 ZINC000518760945 261273162 /nfs/dbraw/zinc/27/31/62/261273162.db2.gz RYPGXYWGGZBYNO-UHFFFAOYSA-N 1 2 281.315 2.067 20 30 CEEDLO C[C@H]1C[C@H](C=[NH+]n2ccnn2)CCN1C(=O)OC(C)(C)C ZINC000497256783 262125758 /nfs/dbraw/zinc/12/57/58/262125758.db2.gz IRSYTPQGIDDWNZ-NWDGAFQWSA-N 1 2 293.371 2.148 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364072407 262137380 /nfs/dbraw/zinc/13/73/80/262137380.db2.gz IWPBCCOKRGQCMM-CQSZACIVSA-N 1 2 272.348 2.111 20 30 CEEDLO NC(COc1cccc(F)c1)=[NH+]OCC[C@H]1CCCO1 ZINC000189377466 262171246 /nfs/dbraw/zinc/17/12/46/262171246.db2.gz DPZBPYFMECGUSV-GFCCVEGCSA-N 1 2 282.315 2.062 20 30 CEEDLO N#CCN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194373672 262236729 /nfs/dbraw/zinc/23/67/29/262236729.db2.gz MUMVDBIVAVZMAH-UHFFFAOYSA-N 1 2 255.774 2.043 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCCO[C@H]2CCCCO2)ccc1F ZINC000194713515 262242148 /nfs/dbraw/zinc/24/21/48/262242148.db2.gz MTCWISBWKFAILV-AWEZNQCLSA-N 1 2 296.342 2.314 20 30 CEEDLO C=C(C)CN(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000365012022 262267535 /nfs/dbraw/zinc/26/75/35/262267535.db2.gz INRAWIATVAWAQG-CYBMUJFWSA-N 1 2 276.384 2.286 20 30 CEEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000336711900 262383275 /nfs/dbraw/zinc/38/32/75/262383275.db2.gz LNUWFXHJUVYRJZ-ZWKOTPCHSA-N 1 2 299.418 2.123 20 30 CEEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000336711900 262383276 /nfs/dbraw/zinc/38/32/76/262383276.db2.gz LNUWFXHJUVYRJZ-ZWKOTPCHSA-N 1 2 299.418 2.123 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411256000 262685796 /nfs/dbraw/zinc/68/57/96/262685796.db2.gz HOCAPABFEZVGKW-KGLIPLIRSA-N 1 2 294.395 2.113 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411256000 262685797 /nfs/dbraw/zinc/68/57/97/262685797.db2.gz HOCAPABFEZVGKW-KGLIPLIRSA-N 1 2 294.395 2.113 20 30 CEEDLO CCOC1CC(CC/[NH+]=C/c2c(CO)cnc(C)c2O)C1 ZINC000276504627 263036950 /nfs/dbraw/zinc/03/69/50/263036950.db2.gz WZAFMBDFITVCJM-RQZCQDPDSA-N 1 2 292.379 2.212 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000353459154 263074550 /nfs/dbraw/zinc/07/45/50/263074550.db2.gz MKRNYZRWHFFLIH-SNVBAGLBSA-N 1 2 275.377 2.191 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000353459154 263074551 /nfs/dbraw/zinc/07/45/51/263074551.db2.gz MKRNYZRWHFFLIH-SNVBAGLBSA-N 1 2 275.377 2.191 20 30 CEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000284378294 263086578 /nfs/dbraw/zinc/08/65/78/263086578.db2.gz LVXCIRADZLCANW-BXKDBHETSA-N 1 2 279.296 2.124 20 30 CEEDLO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284389939 263086657 /nfs/dbraw/zinc/08/66/57/263086657.db2.gz MMYVRZRZDKCCHZ-LBPRGKRZSA-N 1 2 279.727 2.179 20 30 CEEDLO NC(=[NH+]OCc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000284621731 263087705 /nfs/dbraw/zinc/08/77/05/263087705.db2.gz ZRFZRZAHJIABII-LLVKDONJSA-N 1 2 299.168 2.417 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289982352 263113713 /nfs/dbraw/zinc/11/37/13/263113713.db2.gz RRVQVSLIDJGTOX-WCQYABFASA-N 1 2 277.759 2.227 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289982352 263113714 /nfs/dbraw/zinc/11/37/14/263113714.db2.gz RRVQVSLIDJGTOX-WCQYABFASA-N 1 2 277.759 2.227 20 30 CEEDLO COc1cccc(/C=[NH+]/CCc2nnc(C)s2)c1O ZINC000290499455 263117197 /nfs/dbraw/zinc/11/71/97/263117197.db2.gz ITHBYNQUYMNXIO-RIYZIHGNSA-N 1 2 277.349 2.222 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)CCCC#N)c[nH+]1 ZINC000292622683 263133163 /nfs/dbraw/zinc/13/31/63/263133163.db2.gz NOCJYBGAEKFQKB-UHFFFAOYSA-N 1 2 274.368 2.238 20 30 CEEDLO CCc1ccc([C@@H](C#N)NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000293463610 263141031 /nfs/dbraw/zinc/14/10/31/263141031.db2.gz PSOQPFCOWPDOLC-CQSZACIVSA-N 1 2 282.347 2.286 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000299174229 263233598 /nfs/dbraw/zinc/23/35/98/263233598.db2.gz VJDJCERFOGYBCH-MFKMUULPSA-N 1 2 252.745 2.465 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000299174229 263233600 /nfs/dbraw/zinc/23/36/00/263233600.db2.gz VJDJCERFOGYBCH-MFKMUULPSA-N 1 2 252.745 2.465 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000121617995 263297086 /nfs/dbraw/zinc/29/70/86/263297086.db2.gz BSUJRUBASYQEOU-LBPRGKRZSA-N 1 2 252.358 2.486 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCCC#N ZINC000121617995 263297087 /nfs/dbraw/zinc/29/70/87/263297087.db2.gz BSUJRUBASYQEOU-LBPRGKRZSA-N 1 2 252.358 2.486 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2ccncc2Cl)CC1 ZINC000341985292 263379926 /nfs/dbraw/zinc/37/99/26/263379926.db2.gz WNIQSUUVFWNNQQ-UHFFFAOYSA-N 1 2 279.771 2.487 20 30 CEEDLO Cc1c(C(=O)NCc2c[nH+]c[nH]2)cnn1C(C)(C)C ZINC000331082512 264117636 /nfs/dbraw/zinc/11/76/36/264117636.db2.gz MKIDUFYCSOEXPZ-UHFFFAOYSA-N 1 2 261.329 2.174 20 30 CEEDLO Cc1c(C(=O)NCc2c[nH]c[nH+]2)cnn1C(C)(C)C ZINC000331082512 264117638 /nfs/dbraw/zinc/11/76/38/264117638.db2.gz MKIDUFYCSOEXPZ-UHFFFAOYSA-N 1 2 261.329 2.174 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000331119982 264130363 /nfs/dbraw/zinc/13/03/63/264130363.db2.gz FYJXIKQOTHEYOT-GFCCVEGCSA-N 1 2 262.357 2.006 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000331119982 264130366 /nfs/dbraw/zinc/13/03/66/264130366.db2.gz FYJXIKQOTHEYOT-GFCCVEGCSA-N 1 2 262.357 2.006 20 30 CEEDLO CC(C)(C)[C@H](C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000331195287 264158458 /nfs/dbraw/zinc/15/84/58/264158458.db2.gz LKFPSZOPMZZRCV-NSHDSACASA-N 1 2 287.354 2.018 20 30 CEEDLO Cc1nc(C)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)s1 ZINC000331315704 264188000 /nfs/dbraw/zinc/18/80/00/264188000.db2.gz DAIJNKCTNDEVCY-UHFFFAOYSA-N 1 2 297.424 2.175 20 30 CEEDLO Cc1noc([C@H](C)NC(=O)Nc2ccc(C)[nH+]c2C)n1 ZINC000331317823 264188199 /nfs/dbraw/zinc/18/81/99/264188199.db2.gz AZMUSKBGDKDGAA-VIFPVBQESA-N 1 2 275.312 2.477 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000131612938 264374380 /nfs/dbraw/zinc/37/43/80/264374380.db2.gz FNWOKHAZZBJCGS-GJZGRUSLSA-N 1 2 280.412 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131612938 264374381 /nfs/dbraw/zinc/37/43/81/264374381.db2.gz FNWOKHAZZBJCGS-GJZGRUSLSA-N 1 2 280.412 2.076 20 30 CEEDLO C=C(C)COCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000131996849 264378112 /nfs/dbraw/zinc/37/81/12/264378112.db2.gz RVUFZPRTCFAUJL-UHFFFAOYSA-N 1 2 276.384 2.472 20 30 CEEDLO C=C(C)COCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000131996849 264378113 /nfs/dbraw/zinc/37/81/13/264378113.db2.gz RVUFZPRTCFAUJL-UHFFFAOYSA-N 1 2 276.384 2.472 20 30 CEEDLO C=CCCCCCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000287199788 264612479 /nfs/dbraw/zinc/61/24/79/264612479.db2.gz UTRLIHVJOJFCIB-OAHLLOKOSA-N 1 2 292.427 2.276 20 30 CEEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000519294665 265387612 /nfs/dbraw/zinc/38/76/12/265387612.db2.gz VZLXROQSMYGAHU-GWCFXTLKSA-N 1 2 285.326 2.393 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C#N)C1CC1 ZINC000356599597 266146571 /nfs/dbraw/zinc/14/65/71/266146571.db2.gz WJSWUQPOKDDKIC-CQSZACIVSA-N 1 2 282.347 2.153 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356781609 266173938 /nfs/dbraw/zinc/17/39/38/266173938.db2.gz TXOMXXSXQDTSSM-NEPJUHHUSA-N 1 2 288.395 2.446 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356781609 266173940 /nfs/dbraw/zinc/17/39/40/266173940.db2.gz TXOMXXSXQDTSSM-NEPJUHHUSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CCCOCCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000357942002 266387989 /nfs/dbraw/zinc/38/79/89/266387989.db2.gz ZLBHPRSZDHYPPX-UHFFFAOYSA-N 1 2 290.367 2.309 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000459324394 267069828 /nfs/dbraw/zinc/06/98/28/267069828.db2.gz KKNVPOSTUNHCOD-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000459324394 267069830 /nfs/dbraw/zinc/06/98/30/267069830.db2.gz KKNVPOSTUNHCOD-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368129049 267146552 /nfs/dbraw/zinc/14/65/52/267146552.db2.gz MKLJHZGQFHKBNU-ZIAGYGMSSA-N 1 2 286.379 2.106 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492966481 267164615 /nfs/dbraw/zinc/16/46/15/267164615.db2.gz YLFHVSZNZAIDOT-GQCTYLIASA-N 1 2 282.303 2.332 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2cccc(C)c2)C1 ZINC000368506123 267178575 /nfs/dbraw/zinc/17/85/75/267178575.db2.gz ALHYWBBFJSIXFJ-YOEHRIQHSA-N 1 2 288.366 2.003 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2cccc(C)c2)C1 ZINC000368506123 267178578 /nfs/dbraw/zinc/17/85/78/267178578.db2.gz ALHYWBBFJSIXFJ-YOEHRIQHSA-N 1 2 288.366 2.003 20 30 CEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000284022848 267195295 /nfs/dbraw/zinc/19/52/95/267195295.db2.gz IENSLLIOQZNLQH-GXFFZTMASA-N 1 2 259.309 2.087 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)ncc1C#N ZINC000425266599 267256898 /nfs/dbraw/zinc/25/68/98/267256898.db2.gz IKGQAHJTVCMVGC-LLVKDONJSA-N 1 2 255.325 2.073 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CNc1ccc(C#N)cc1 ZINC000456373254 267257242 /nfs/dbraw/zinc/25/72/42/267257242.db2.gz FZTOHVLGQTZPBS-GFCCVEGCSA-N 1 2 297.362 2.064 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CNc1cccc(C#N)c1 ZINC000456352259 267257647 /nfs/dbraw/zinc/25/76/47/267257647.db2.gz LLMSDZDTNXBZJD-GFCCVEGCSA-N 1 2 297.362 2.064 20 30 CEEDLO CCOC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399357230 270369195 /nfs/dbraw/zinc/36/91/95/270369195.db2.gz AAKPKOFLUIPTDB-GFCCVEGCSA-N 1 2 273.336 2.041 20 30 CEEDLO CC(=O)N[C@@H](C)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425246494 271146825 /nfs/dbraw/zinc/14/68/25/271146825.db2.gz WMUHUBZKTJEPRL-LBPRGKRZSA-N 1 2 286.379 2.003 20 30 CEEDLO Cc1cc(N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425271965 271151847 /nfs/dbraw/zinc/15/18/47/271151847.db2.gz VWGSSEXHRFVDPK-BXKDBHETSA-N 1 2 285.269 2.011 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)n1 ZINC000430149566 271359943 /nfs/dbraw/zinc/35/99/43/271359943.db2.gz NHKBRMORKVBICI-GFCCVEGCSA-N 1 2 277.393 2.263 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCOC[C@H](C3CCC3)C2)n1 ZINC000430149566 271359947 /nfs/dbraw/zinc/35/99/47/271359947.db2.gz NHKBRMORKVBICI-GFCCVEGCSA-N 1 2 277.393 2.263 20 30 CEEDLO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1=O ZINC000333666221 277469812 /nfs/dbraw/zinc/46/98/12/277469812.db2.gz XJZARVATCWMVFC-MJBXVCDLSA-N 1 2 299.374 2.082 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ncn(C)n1 ZINC000353598040 278276582 /nfs/dbraw/zinc/27/65/82/278276582.db2.gz RZDPYYZJZKPCML-IINYFYTJSA-N 1 2 267.336 2.025 20 30 CEEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000352457443 279477797 /nfs/dbraw/zinc/47/77/97/279477797.db2.gz DASHAAFKNSNFSQ-CQSZACIVSA-N 1 2 287.338 2.120 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484661 288192421 /nfs/dbraw/zinc/19/24/21/288192421.db2.gz RXCBCNYNPKZFPP-KGLIPLIRSA-N 1 2 295.402 2.494 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@]2(CCOC2)O1 ZINC000361512235 288215441 /nfs/dbraw/zinc/21/54/41/288215441.db2.gz XTPSBLQOYXIVPO-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@]2(CCOC2)O1 ZINC000361512235 288215442 /nfs/dbraw/zinc/21/54/42/288215442.db2.gz XTPSBLQOYXIVPO-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO N#CC1(F)CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000352451228 294791988 /nfs/dbraw/zinc/79/19/88/294791988.db2.gz VJBUIJKZASUIDR-AWEZNQCLSA-N 1 2 287.338 2.268 20 30 CEEDLO Cc1ncc2c(n1)CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000535789635 298190644 /nfs/dbraw/zinc/19/06/44/298190644.db2.gz FZGCWCJEVAJGED-UHFFFAOYSA-N 1 2 270.361 2.277 20 30 CEEDLO Cc1ncc2c(n1)CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000535789635 298190646 /nfs/dbraw/zinc/19/06/46/298190646.db2.gz FZGCWCJEVAJGED-UHFFFAOYSA-N 1 2 270.361 2.277 20 30 CEEDLO CCn1cc(C[N@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000539829281 298257654 /nfs/dbraw/zinc/25/76/54/298257654.db2.gz ZONABDSVFRDOGT-UHFFFAOYSA-N 1 2 260.366 2.468 20 30 CEEDLO CCn1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000539829281 298257655 /nfs/dbraw/zinc/25/76/55/298257655.db2.gz ZONABDSVFRDOGT-UHFFFAOYSA-N 1 2 260.366 2.468 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(C#N)cn2)CC1(C)C ZINC000296256065 303011188 /nfs/dbraw/zinc/01/11/88/303011188.db2.gz JCFFUSXCVBHENT-CYBMUJFWSA-N 1 2 267.336 2.274 20 30 CEEDLO N#Cc1cnc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000328622900 303212743 /nfs/dbraw/zinc/21/27/43/303212743.db2.gz ITDXVPVNXSZXEH-CQSZACIVSA-N 1 2 294.362 2.292 20 30 CEEDLO CS[C@H]1CCC1=[NH+]n1cc(Br)cn1 ZINC000819809421 634268943 /nfs/dbraw/zinc/26/89/43/634268943.db2.gz RWBCUYRLGAWNSN-QMMMGPOBSA-N 1 2 260.160 2.375 20 30 CEEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCn2c[nH+]cc2C1 ZINC000571861564 314108780 /nfs/dbraw/zinc/10/87/80/314108780.db2.gz VAMXGSNKGXCXOE-UHFFFAOYSA-N 1 2 293.252 2.189 20 30 CEEDLO Cc1cc(N[C@H]2CCO[C@H](c3ccncc3)C2)c(C#N)c[nH+]1 ZINC000572150643 314121984 /nfs/dbraw/zinc/12/19/84/314121984.db2.gz YFGILGWTWSULPB-RDJZCZTQSA-N 1 2 294.358 2.411 20 30 CEEDLO Cc1cc(NC[C@@]2(C)CCO[C@@H]2C2CC2)c(C#N)c[nH+]1 ZINC000577723696 314406052 /nfs/dbraw/zinc/40/60/52/314406052.db2.gz HEESOMDWMCJELT-HZPDHXFCSA-N 1 2 271.364 2.301 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000310851639 327868741 /nfs/dbraw/zinc/86/87/41/327868741.db2.gz CZOZQHHHQJGITI-JTQLQIEISA-N 1 2 260.263 2.227 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccccc1 ZINC000563367156 328059922 /nfs/dbraw/zinc/05/99/22/328059922.db2.gz UJWSPCZQEGNRAA-GXTWGEPZSA-N 1 2 259.353 2.146 20 30 CEEDLO C[C@H](CC(=O)N[C@H](C#N)C1CCCCC1)n1cc[nH+]c1 ZINC000571170275 328090408 /nfs/dbraw/zinc/09/04/08/328090408.db2.gz YYOMMCYXKXJPBH-TZMCWYRMSA-N 1 2 274.368 2.423 20 30 CEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C[C@@H](C#N)CCC#N ZINC000264904485 328162766 /nfs/dbraw/zinc/16/27/66/328162766.db2.gz XELLRBAXLCEDDA-LLVKDONJSA-N 1 2 299.300 2.321 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CC2CCSCC2)c1O ZINC000264904829 328163036 /nfs/dbraw/zinc/16/30/36/328163036.db2.gz IWBFAMXMXQZFCY-OVCLIPMQSA-N 1 2 280.393 2.150 20 30 CEEDLO CCOc1ccc(/C=N/OCc2c[nH+]cn2C)cc1OC ZINC000267799232 328180351 /nfs/dbraw/zinc/18/03/51/328180351.db2.gz PPULAURMOVIGBA-CAOOACKPSA-N 1 2 289.335 2.378 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000172797075 329138904 /nfs/dbraw/zinc/13/89/04/329138904.db2.gz SMDOXZPOAOBXIR-HNNXBMFYSA-N 1 2 259.349 2.116 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)NCCCn1cc[nH+]c1 ZINC000272806096 328200715 /nfs/dbraw/zinc/20/07/15/328200715.db2.gz ZLECHHQCNYMDBJ-AWEZNQCLSA-N 1 2 294.399 2.361 20 30 CEEDLO Cc1ccccc1CCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284442119 328245979 /nfs/dbraw/zinc/24/59/79/328245979.db2.gz PKZJJBLBABBMOC-AWEZNQCLSA-N 1 2 262.353 2.395 20 30 CEEDLO C[N@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293336396 328275405 /nfs/dbraw/zinc/27/54/05/328275405.db2.gz CZJXZNOIWNZVEP-CZUORRHYSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293336396 328275407 /nfs/dbraw/zinc/27/54/07/328275407.db2.gz CZJXZNOIWNZVEP-CZUORRHYSA-N 1 2 281.363 2.391 20 30 CEEDLO C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[NH+]1CC(C)C1 ZINC000581021292 322363258 /nfs/dbraw/zinc/36/32/58/322363258.db2.gz QBVXIIFGEUZLQG-GFCCVEGCSA-N 1 2 298.390 2.411 20 30 CEEDLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(C#N)cc1F ZINC000583416417 322544674 /nfs/dbraw/zinc/54/46/74/322544674.db2.gz KOSWMZLKEAPHLQ-JTQLQIEISA-N 1 2 256.284 2.338 20 30 CEEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584176118 327058837 /nfs/dbraw/zinc/05/88/37/327058837.db2.gz WQIANAMZLMCTIP-HNNXBMFYSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584176118 327058839 /nfs/dbraw/zinc/05/88/39/327058839.db2.gz WQIANAMZLMCTIP-HNNXBMFYSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)cc1F ZINC000579489554 327379186 /nfs/dbraw/zinc/37/91/86/327379186.db2.gz XGEDPPCDOGXQSW-LLVKDONJSA-N 1 2 263.316 2.355 20 30 CEEDLO C=CCC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000154800759 327386952 /nfs/dbraw/zinc/38/69/52/327386952.db2.gz APSBLCKVJCXJNT-ZDUSSCGKSA-N 1 2 269.385 2.169 20 30 CEEDLO C=CCOc1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000356329775 328861757 /nfs/dbraw/zinc/86/17/57/328861757.db2.gz BDFREROSINLFMK-UHFFFAOYSA-N 1 2 270.332 2.173 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000377657627 329023291 /nfs/dbraw/zinc/02/32/91/329023291.db2.gz IBPQGBSTSPNXIQ-SFHVURJKSA-N 1 2 290.366 2.253 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000377657627 329023292 /nfs/dbraw/zinc/02/32/92/329023292.db2.gz IBPQGBSTSPNXIQ-SFHVURJKSA-N 1 2 290.366 2.253 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000172797075 329138902 /nfs/dbraw/zinc/13/89/02/329138902.db2.gz SMDOXZPOAOBXIR-HNNXBMFYSA-N 1 2 259.349 2.116 20 30 CEEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000185790071 329331765 /nfs/dbraw/zinc/33/17/65/329331765.db2.gz ZZUUFFGBEALPCE-UONOGXRCSA-N 1 2 286.379 2.412 20 30 CEEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000185917657 329332592 /nfs/dbraw/zinc/33/25/92/329332592.db2.gz PHJQEAXWLYHTFK-MRXNPFEDSA-N 1 2 290.794 2.421 20 30 CEEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000185917657 329332594 /nfs/dbraw/zinc/33/25/94/329332594.db2.gz PHJQEAXWLYHTFK-MRXNPFEDSA-N 1 2 290.794 2.421 20 30 CEEDLO C[S@@](=O)c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000123767605 329562602 /nfs/dbraw/zinc/56/26/02/329562602.db2.gz APVFNYPJPOCVRW-SFHVURJKSA-N 1 2 262.378 2.160 20 30 CEEDLO Cc1ccn2cc(CNC(=O)NCC3(C#N)CCC3)[nH+]c2c1 ZINC000419427823 329728228 /nfs/dbraw/zinc/72/82/28/329728228.db2.gz PMIZSKSTTUYVLE-UHFFFAOYSA-N 1 2 297.362 2.136 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572367027 330010847 /nfs/dbraw/zinc/01/08/47/330010847.db2.gz HPNLEKIZFNSEGQ-CQSZACIVSA-N 1 2 288.395 2.234 20 30 CEEDLO C=CC[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267933014 330065344 /nfs/dbraw/zinc/06/53/44/330065344.db2.gz FIELFNDDFYHACH-LLVKDONJSA-N 1 2 262.357 2.263 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433109729 330148706 /nfs/dbraw/zinc/14/87/06/330148706.db2.gz LWSMNAYSIUOSNV-XJKSGUPXSA-N 1 2 290.411 2.217 20 30 CEEDLO C=CC[N@@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000121205577 330397725 /nfs/dbraw/zinc/39/77/25/330397725.db2.gz ZEGLHBGOGGKCHR-UHFFFAOYSA-N 1 2 277.299 2.406 20 30 CEEDLO C=CC[N@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000121205577 330397726 /nfs/dbraw/zinc/39/77/26/330397726.db2.gz ZEGLHBGOGGKCHR-UHFFFAOYSA-N 1 2 277.299 2.406 20 30 CEEDLO C=C[C@@H](C)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000123208467 330456405 /nfs/dbraw/zinc/45/64/05/330456405.db2.gz WBJOQBSFLHRDGP-SECBINFHSA-N 1 2 253.371 2.180 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450839510 331002106 /nfs/dbraw/zinc/00/21/06/331002106.db2.gz SJTDNDDNHIXDSZ-UHFFFAOYSA-N 1 2 297.420 2.115 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450839510 331002107 /nfs/dbraw/zinc/00/21/07/331002107.db2.gz SJTDNDDNHIXDSZ-UHFFFAOYSA-N 1 2 297.420 2.115 20 30 CEEDLO C=CC1CC[NH+]([C@@H](C(=O)OC)c2cccnc2)CC1 ZINC000163398446 331032452 /nfs/dbraw/zinc/03/24/52/331032452.db2.gz VJRYZYGKUKCATM-CQSZACIVSA-N 1 2 260.337 2.194 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000451597124 331035535 /nfs/dbraw/zinc/03/55/35/331035535.db2.gz HDJTYGUZTIXSMR-OLZOCXBDSA-N 1 2 271.320 2.170 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000451604543 331036196 /nfs/dbraw/zinc/03/61/96/331036196.db2.gz HJGVGIGJZFKCCS-UPJWGTAASA-N 1 2 295.383 2.236 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451834202 331044236 /nfs/dbraw/zinc/04/42/36/331044236.db2.gz IOGFPELAQIXKDR-CQSZACIVSA-N 1 2 260.337 2.109 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451834202 331044237 /nfs/dbraw/zinc/04/42/37/331044237.db2.gz IOGFPELAQIXKDR-CQSZACIVSA-N 1 2 260.337 2.109 20 30 CEEDLO C=C(C)CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000452725704 331074284 /nfs/dbraw/zinc/07/42/84/331074284.db2.gz SVWJVZPHLCGSFS-UHFFFAOYSA-N 1 2 288.391 2.215 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000452980699 331082535 /nfs/dbraw/zinc/08/25/35/331082535.db2.gz SRZSFDGWYINCHT-HIFRSBDPSA-N 1 2 299.374 2.058 20 30 CEEDLO C=CCC(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccn1 ZINC000453224509 331103504 /nfs/dbraw/zinc/10/35/04/331103504.db2.gz BBVDORTYBFFALB-CYBMUJFWSA-N 1 2 271.368 2.481 20 30 CEEDLO C=C(C)CCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000455319821 331165919 /nfs/dbraw/zinc/16/59/19/331165919.db2.gz GXIMSCAXZZKEMD-GFCCVEGCSA-N 1 2 276.384 2.479 20 30 CEEDLO C=C(CC)CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000455550237 331172833 /nfs/dbraw/zinc/17/28/33/331172833.db2.gz YBHIZOOZGORXCC-GFCCVEGCSA-N 1 2 276.384 2.479 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459127400 331270840 /nfs/dbraw/zinc/27/08/40/331270840.db2.gz XNYOOFIXQVSAJE-NWDGAFQWSA-N 1 2 262.357 2.497 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)c1c[nH]c2ncccc12 ZINC000459462123 331282636 /nfs/dbraw/zinc/28/26/36/331282636.db2.gz JZAZPDAWSYLTFC-COPLHBTASA-N 1 2 282.347 2.416 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)c1cccs1 ZINC000489439057 332052370 /nfs/dbraw/zinc/05/23/70/332052370.db2.gz NGFCBAVRMZBVFY-LBPRGKRZSA-N 1 2 292.404 2.088 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)c1cccs1 ZINC000489439057 332052372 /nfs/dbraw/zinc/05/23/72/332052372.db2.gz NGFCBAVRMZBVFY-LBPRGKRZSA-N 1 2 292.404 2.088 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000491179700 332161242 /nfs/dbraw/zinc/16/12/42/332161242.db2.gz HBQCKALGZWTTFY-GOSISDBHSA-N 1 2 297.402 2.176 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000491179700 332161243 /nfs/dbraw/zinc/16/12/43/332161243.db2.gz HBQCKALGZWTTFY-GOSISDBHSA-N 1 2 297.402 2.176 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000491210724 332167120 /nfs/dbraw/zinc/16/71/20/332167120.db2.gz XYIYWNCOLBRNBW-FPLPWBNLSA-N 1 2 283.306 2.224 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000491351719 332195375 /nfs/dbraw/zinc/19/53/75/332195375.db2.gz VLGWDEXPORAGMU-XJKSGUPXSA-N 1 2 297.333 2.075 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2occc2C)n1 ZINC000491360634 332196606 /nfs/dbraw/zinc/19/66/06/332196606.db2.gz GTSKOIFSZOVYGS-UHFFFAOYSA-N 1 2 287.363 2.066 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2occc2C)n1 ZINC000491360634 332196607 /nfs/dbraw/zinc/19/66/07/332196607.db2.gz GTSKOIFSZOVYGS-UHFFFAOYSA-N 1 2 287.363 2.066 20 30 CEEDLO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC000491617582 332244262 /nfs/dbraw/zinc/24/42/62/332244262.db2.gz BOGFWBXLCWAZLA-SWLSCSKDSA-N 1 2 285.322 2.464 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(F)cc1 ZINC000491624900 332248910 /nfs/dbraw/zinc/24/89/10/332248910.db2.gz HODJWCLPCSOIHZ-MRXNPFEDSA-N 1 2 287.338 2.133 20 30 CEEDLO C#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000491665643 332274210 /nfs/dbraw/zinc/27/42/10/332274210.db2.gz GMCHSXFUHBKJAH-DANTVBBOSA-N 1 2 269.279 2.053 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc(Br)s1 ZINC000491742791 332321220 /nfs/dbraw/zinc/32/12/20/332321220.db2.gz QVAFCHKTEQIFSB-SSDOTTSWSA-N 1 2 259.172 2.359 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc(Br)s1 ZINC000491742791 332321221 /nfs/dbraw/zinc/32/12/21/332321221.db2.gz QVAFCHKTEQIFSB-SSDOTTSWSA-N 1 2 259.172 2.359 20 30 CEEDLO C#C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC000491786794 332349319 /nfs/dbraw/zinc/34/93/19/332349319.db2.gz PHBPNCJVEAHTIZ-CQSZACIVSA-N 1 2 283.375 2.349 20 30 CEEDLO C#CCN(CC)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491794765 332354332 /nfs/dbraw/zinc/35/43/32/332354332.db2.gz SLXAPJFHBUWPTH-HNNXBMFYSA-N 1 2 281.359 2.413 20 30 CEEDLO C=CC1CCN(C(=O)/C=C/c2[nH+]ccn2CC)CC1 ZINC000492486889 332399794 /nfs/dbraw/zinc/39/97/94/332399794.db2.gz CBOPVVPZYQCUGQ-AATRIKPKSA-N 1 2 259.353 2.341 20 30 CEEDLO CC(C)(C)C[C@@H]1CN(C[NH+]2CCC(C#N)CC2)C(=O)O1 ZINC000190234510 333204742 /nfs/dbraw/zinc/20/47/42/333204742.db2.gz ZXIHQZQMERQTIT-CYBMUJFWSA-N 1 2 279.384 2.436 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000192225818 333232683 /nfs/dbraw/zinc/23/26/83/333232683.db2.gz KYTFXJNYWVRKQY-UHFFFAOYSA-N 1 2 263.247 2.080 20 30 CEEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000192225818 333232684 /nfs/dbraw/zinc/23/26/84/333232684.db2.gz KYTFXJNYWVRKQY-UHFFFAOYSA-N 1 2 263.247 2.080 20 30 CEEDLO C#CC[N@@H+](C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000192228761 333233142 /nfs/dbraw/zinc/23/31/42/333233142.db2.gz UEOQUIGLBNKWEY-GFCCVEGCSA-N 1 2 263.341 2.045 20 30 CEEDLO C#CC[N@H+](C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000192228761 333233143 /nfs/dbraw/zinc/23/31/43/333233143.db2.gz UEOQUIGLBNKWEY-GFCCVEGCSA-N 1 2 263.341 2.045 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000192234762 333233521 /nfs/dbraw/zinc/23/35/21/333233521.db2.gz GUOVKWJXBISFGG-CYBMUJFWSA-N 1 2 288.416 2.469 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000192234762 333233522 /nfs/dbraw/zinc/23/35/22/333233522.db2.gz GUOVKWJXBISFGG-CYBMUJFWSA-N 1 2 288.416 2.469 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000227351438 333281267 /nfs/dbraw/zinc/28/12/67/333281267.db2.gz HLMWKYMLYDZQFB-UHFFFAOYSA-N 1 2 275.327 2.390 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564336240 334132644 /nfs/dbraw/zinc/13/26/44/334132644.db2.gz XFGDXMZEMPDQAL-UHFFFAOYSA-N 1 2 275.308 2.101 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564336240 334132646 /nfs/dbraw/zinc/13/26/46/334132646.db2.gz XFGDXMZEMPDQAL-UHFFFAOYSA-N 1 2 275.308 2.101 20 30 CEEDLO N#CC1CCC(C[NH2+][C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000550934003 334234323 /nfs/dbraw/zinc/23/43/23/334234323.db2.gz QNCMMGYKPSWFDI-PIMMBPRGSA-N 1 2 296.378 2.209 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](C#N)CCC#N ZINC000554551449 334437362 /nfs/dbraw/zinc/43/73/62/334437362.db2.gz FQPWLRNWQZSJKF-MRXNPFEDSA-N 1 2 298.390 2.068 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566308188 334641892 /nfs/dbraw/zinc/64/18/92/334641892.db2.gz IWBNGPKSYFCORE-SNVBAGLBSA-N 1 2 275.274 2.411 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(C(F)F)c1 ZINC000566800157 334664870 /nfs/dbraw/zinc/66/48/70/334664870.db2.gz QEYIFLKOUCPZAJ-HNNXBMFYSA-N 1 2 295.333 2.127 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000568026387 334785607 /nfs/dbraw/zinc/78/56/07/334785607.db2.gz NKDLYAJGGGAABI-KGLIPLIRSA-N 1 2 282.347 2.024 20 30 CEEDLO C[C@@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580571552 335285554 /nfs/dbraw/zinc/28/55/54/335285554.db2.gz NHUMTCDODCRBCS-WFASDCNBSA-N 1 2 265.401 2.163 20 30 CEEDLO N#CCC[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000577172260 335314586 /nfs/dbraw/zinc/31/45/86/335314586.db2.gz NNZPYYSKSSCQEY-LBPRGKRZSA-N 1 2 281.718 2.088 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000577230763 335327300 /nfs/dbraw/zinc/32/73/00/335327300.db2.gz YHDDEEKUUQPTCV-MFKMUULPSA-N 1 2 293.317 2.352 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000582011527 336191825 /nfs/dbraw/zinc/19/18/25/336191825.db2.gz GFIUKBCFGIAURQ-ZDUSSCGKSA-N 1 2 280.393 2.262 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000353446670 534291919 /nfs/dbraw/zinc/29/19/19/534291919.db2.gz JVWSHFBROJBPIM-ZIAGYGMSSA-N 1 2 273.380 2.125 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000353446670 534291921 /nfs/dbraw/zinc/29/19/21/534291921.db2.gz JVWSHFBROJBPIM-ZIAGYGMSSA-N 1 2 273.380 2.125 20 30 CEEDLO CN(C)c1noc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC000366712663 522400751 /nfs/dbraw/zinc/40/07/51/522400751.db2.gz HVTGMFOPMCAKBA-AWEZNQCLSA-N 1 2 297.362 2.344 20 30 CEEDLO CN(C)c1noc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC000366712663 522400758 /nfs/dbraw/zinc/40/07/58/522400758.db2.gz HVTGMFOPMCAKBA-AWEZNQCLSA-N 1 2 297.362 2.344 20 30 CEEDLO CN(c1ccc(C#N)cn1)C1CCN(c2cccc[nH+]2)CC1 ZINC000363657880 523633990 /nfs/dbraw/zinc/63/39/90/523633990.db2.gz HZYSBHHEANPHOR-UHFFFAOYSA-N 1 2 293.374 2.453 20 30 CEEDLO Cn1cc(Br)c(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000334679411 534725956 /nfs/dbraw/zinc/72/59/56/534725956.db2.gz YUFNMXICZJEQSK-UWVGGRQHSA-N 1 2 297.200 2.355 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(C)cn1 ZINC000352791706 526560653 /nfs/dbraw/zinc/56/06/53/526560653.db2.gz JAUWBZVZJOEEGV-UHFFFAOYSA-N 1 2 287.363 2.449 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(C)cn1 ZINC000352791706 526560655 /nfs/dbraw/zinc/56/06/55/526560655.db2.gz JAUWBZVZJOEEGV-UHFFFAOYSA-N 1 2 287.363 2.449 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C(=O)OC)C1CC1 ZINC000352789280 526561763 /nfs/dbraw/zinc/56/17/63/526561763.db2.gz BOBOZZJUBAHLFO-OAHLLOKOSA-N 1 2 293.363 2.102 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C(=O)OC)C1CC1 ZINC000352789280 526561767 /nfs/dbraw/zinc/56/17/67/526561767.db2.gz BOBOZZJUBAHLFO-OAHLLOKOSA-N 1 2 293.363 2.102 20 30 CEEDLO CC(=O)N1CC[C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000329043720 526644369 /nfs/dbraw/zinc/64/43/69/526644369.db2.gz PAQIYPGJEFOYNV-GFCCVEGCSA-N 1 2 286.335 2.099 20 30 CEEDLO C=CCOCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354581100 526720366 /nfs/dbraw/zinc/72/03/66/526720366.db2.gz RRRZXFWNPRXBQW-UHFFFAOYSA-N 1 2 275.283 2.153 20 30 CEEDLO C=C[C@@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352739769 527409088 /nfs/dbraw/zinc/40/90/88/527409088.db2.gz OKMQNAXPQAOTSR-LLVKDONJSA-N 1 2 271.324 2.022 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000352293917 527550207 /nfs/dbraw/zinc/55/02/07/527550207.db2.gz OREKDUCGPUZZCL-OAHLLOKOSA-N 1 2 271.320 2.138 20 30 CEEDLO CC1(C)C[C@@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329993984 527706808 /nfs/dbraw/zinc/70/68/08/527706808.db2.gz LVRVUJVIYJTGBN-GFCCVEGCSA-N 1 2 272.352 2.384 20 30 CEEDLO CC(C)CN1CC[N@H+](CCC(C)(C)C#N)[C@@H](C)C1=O ZINC000347192727 528006469 /nfs/dbraw/zinc/00/64/69/528006469.db2.gz HXHCDNMMWRXTKA-ZDUSSCGKSA-N 1 2 265.401 2.115 20 30 CEEDLO CC(C)CN1CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C1=O ZINC000347192727 528006473 /nfs/dbraw/zinc/00/64/73/528006473.db2.gz HXHCDNMMWRXTKA-ZDUSSCGKSA-N 1 2 265.401 2.115 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC1(C#N)CCC1 ZINC000347053079 528749995 /nfs/dbraw/zinc/74/99/95/528749995.db2.gz MCAAVAKKEWMCOK-UHFFFAOYSA-N 1 2 290.411 2.201 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1(C#N)CCC1 ZINC000347053079 528749999 /nfs/dbraw/zinc/74/99/99/528749999.db2.gz MCAAVAKKEWMCOK-UHFFFAOYSA-N 1 2 290.411 2.201 20 30 CEEDLO CCC[C@@H]([NH2+]CC1(C#N)CC1)c1nnc2ccccn21 ZINC000347628004 529005729 /nfs/dbraw/zinc/00/57/29/529005729.db2.gz YTTGXWGTTSWZKH-GFCCVEGCSA-N 1 2 269.352 2.464 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727492357 574452444 /nfs/dbraw/zinc/45/24/44/574452444.db2.gz YEZMXILLHSHKBS-KBPBESRZSA-N 1 2 293.411 2.395 20 30 CEEDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(F)cc1C#N ZINC000728570052 574467487 /nfs/dbraw/zinc/46/74/87/574467487.db2.gz VAIWOUGGBBRTAA-UHFFFAOYSA-N 1 2 297.333 2.428 20 30 CEEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc(F)cc1C#N ZINC000728570052 574467488 /nfs/dbraw/zinc/46/74/88/574467488.db2.gz VAIWOUGGBBRTAA-UHFFFAOYSA-N 1 2 297.333 2.428 20 30 CEEDLO Brc1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000731153153 574590397 /nfs/dbraw/zinc/59/03/97/574590397.db2.gz COWVFEPHIZXVTD-UHFFFAOYSA-N 1 2 266.102 2.013 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/CCC(=O)OC(C)C)c1 ZINC000732769181 574629778 /nfs/dbraw/zinc/62/97/78/574629778.db2.gz DSSOCKLURNCKHE-OQLLNIDSSA-N 1 2 265.309 2.161 20 30 CEEDLO COC(=O)[C@H](C/[NH+]=C/c1cccc(O)c1O)CC(C)C ZINC000741463890 574987883 /nfs/dbraw/zinc/98/78/83/574987883.db2.gz JDYXMFCLSVZVCP-WIJRQFRKSA-N 1 2 279.336 2.352 20 30 CEEDLO CCc1noc(CO[NH+]=C(N)c2ccc(Cl)cc2)n1 ZINC000742352796 575015730 /nfs/dbraw/zinc/01/57/30/575015730.db2.gz DSGDQYVTIAOMCU-UHFFFAOYSA-N 1 2 280.715 2.123 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)Cc1cccc(N(C)C)c1 ZINC000743840474 575110244 /nfs/dbraw/zinc/11/02/44/575110244.db2.gz CZRIJVOJNKEXRX-UHFFFAOYSA-N 1 2 276.380 2.304 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)Cc1cccc(N(C)C)c1 ZINC000743840474 575110245 /nfs/dbraw/zinc/11/02/45/575110245.db2.gz CZRIJVOJNKEXRX-UHFFFAOYSA-N 1 2 276.380 2.304 20 30 CEEDLO CC#CCOC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000745061021 575131482 /nfs/dbraw/zinc/13/14/82/575131482.db2.gz YSPYMAAPCGDMNF-UHFFFAOYSA-N 1 2 261.321 2.454 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C)cn2)c1 ZINC000746451409 575156203 /nfs/dbraw/zinc/15/62/03/575156203.db2.gz YROKVKLSSMFWFV-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C)cn2)c1 ZINC000746451409 575156204 /nfs/dbraw/zinc/15/62/04/575156204.db2.gz YROKVKLSSMFWFV-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO COC(=O)[C@](C)([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000746474620 575156881 /nfs/dbraw/zinc/15/68/81/575156881.db2.gz ILEHKTFNSPLOSI-MRXNPFEDSA-N 1 2 288.347 2.020 20 30 CEEDLO Cc1cc(NC(=O)Cc2ccc(OCC#N)cc2)c(C)c[nH+]1 ZINC000747107098 575167321 /nfs/dbraw/zinc/16/73/21/575167321.db2.gz LBYDTOJDAUBFLK-UHFFFAOYSA-N 1 2 295.342 2.204 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)CSC(CCC)CCC)CC1 ZINC000750001183 575243241 /nfs/dbraw/zinc/24/32/41/575243241.db2.gz JDTHAEYWSKZLMU-UHFFFAOYSA-N 1 2 296.480 2.466 20 30 CEEDLO CCOc1ccc(C[N@H+](C)Cn2cccc(C#N)c2=O)cc1 ZINC000750607533 575270342 /nfs/dbraw/zinc/27/03/42/575270342.db2.gz BRWSPMUIBOAEIB-UHFFFAOYSA-N 1 2 297.358 2.208 20 30 CEEDLO CCOc1ccc(C[N@@H+](C)Cn2cccc(C#N)c2=O)cc1 ZINC000750607533 575270343 /nfs/dbraw/zinc/27/03/43/575270343.db2.gz BRWSPMUIBOAEIB-UHFFFAOYSA-N 1 2 297.358 2.208 20 30 CEEDLO N#Cc1cc(COC(=O)CCc2ccc(N)[nH+]c2)ccc1F ZINC000751460140 575289473 /nfs/dbraw/zinc/28/94/73/575289473.db2.gz YONSSVCKBBDBOC-UHFFFAOYSA-N 1 2 299.305 2.351 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2ccc3c(c2)CCN3C)nn1 ZINC000752730587 575313796 /nfs/dbraw/zinc/31/37/96/575313796.db2.gz NJZNOHZFWXXDGN-UHFFFAOYSA-N 1 2 267.336 2.223 20 30 CEEDLO COc1cccc(O)c1/C=N/[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753637938 575333379 /nfs/dbraw/zinc/33/33/79/575333379.db2.gz GKKBFVNJHIPTJM-OTGIAGGSSA-N 1 2 297.358 2.494 20 30 CEEDLO C=CCC[C@@H]([NH2+]C1CC(SC)C1)C(=O)OCC ZINC000894758908 629623825 /nfs/dbraw/zinc/62/38/25/629623825.db2.gz OHKYRYUYNXDCCA-HTAVTVPLSA-N 1 2 257.399 2.368 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824249675 608680128 /nfs/dbraw/zinc/68/01/28/608680128.db2.gz RFWWDSDUZIWXMM-UHFFFAOYSA-N 1 2 288.355 2.221 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824249675 608680130 /nfs/dbraw/zinc/68/01/30/608680130.db2.gz RFWWDSDUZIWXMM-UHFFFAOYSA-N 1 2 288.355 2.221 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000972074246 613241682 /nfs/dbraw/zinc/24/16/82/613241682.db2.gz YUECGIRSKWLHHH-CQSZACIVSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000972074246 613241684 /nfs/dbraw/zinc/24/16/84/613241684.db2.gz YUECGIRSKWLHHH-CQSZACIVSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC000957109217 613295360 /nfs/dbraw/zinc/29/53/60/613295360.db2.gz XOYCWWBYJZHGHS-GOEBONIOSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C)o2)C1 ZINC000949627680 613296425 /nfs/dbraw/zinc/29/64/25/613296425.db2.gz AHRQCCMXLQQWRX-UHFFFAOYSA-N 1 2 262.353 2.310 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 ZINC000949924383 613320541 /nfs/dbraw/zinc/32/05/41/613320541.db2.gz KWBIWXLRFSEWNL-UHFFFAOYSA-N 1 2 298.308 2.438 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000951571969 613322274 /nfs/dbraw/zinc/32/22/74/613322274.db2.gz ZOYJAXJEKAIJBC-UHFFFAOYSA-N 1 2 289.379 2.194 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2)C1 ZINC000969225913 613371734 /nfs/dbraw/zinc/37/17/34/613371734.db2.gz WUNPRJBTVSPIBY-GFCCVEGCSA-N 1 2 278.783 2.489 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC000970451221 613372173 /nfs/dbraw/zinc/37/21/73/613372173.db2.gz ZTNUZEDMGLSDBP-DMDPSCGWSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2)C(C)(C)C1 ZINC000973042776 613379891 /nfs/dbraw/zinc/37/98/91/613379891.db2.gz JRFKVNCKSSMFDT-CYBMUJFWSA-N 1 2 295.814 2.218 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2)C(C)(C)C1 ZINC000973042776 613379892 /nfs/dbraw/zinc/37/98/92/613379892.db2.gz JRFKVNCKSSMFDT-CYBMUJFWSA-N 1 2 295.814 2.218 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000972083058 613434555 /nfs/dbraw/zinc/43/45/55/613434555.db2.gz UZWMFUFKAMMCQS-CQSZACIVSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000972083058 613434556 /nfs/dbraw/zinc/43/45/56/613434556.db2.gz UZWMFUFKAMMCQS-CQSZACIVSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000972082787 613434621 /nfs/dbraw/zinc/43/46/21/613434621.db2.gz RLZDVPDPONAHQM-CQSZACIVSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000972082787 613434623 /nfs/dbraw/zinc/43/46/23/613434623.db2.gz RLZDVPDPONAHQM-CQSZACIVSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC000949846992 613652999 /nfs/dbraw/zinc/65/29/99/613652999.db2.gz IQJOFBCJFNHDCU-UHFFFAOYSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000950099374 613711279 /nfs/dbraw/zinc/71/12/79/613711279.db2.gz MVCXWOJVFXNWIS-UONOGXRCSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000950360393 613712959 /nfs/dbraw/zinc/71/29/59/613712959.db2.gz OEVBIFNZCOMJQO-ZDUSSCGKSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CC1 ZINC000951718374 613715822 /nfs/dbraw/zinc/71/58/22/613715822.db2.gz XUIGQWBBVRGRHO-UHFFFAOYSA-N 1 2 296.374 2.021 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)CC1 ZINC000949778409 613716295 /nfs/dbraw/zinc/71/62/95/613716295.db2.gz KNSIJPQFYOKIFA-ZDUSSCGKSA-N 1 2 286.375 2.126 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000949152406 613717094 /nfs/dbraw/zinc/71/70/94/613717094.db2.gz PYWXAKUVMFJOCQ-UHFFFAOYSA-N 1 2 295.386 2.421 20 30 CEEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000968606740 613775606 /nfs/dbraw/zinc/77/56/06/613775606.db2.gz JEBSQOFAVSDZJU-SWLSCSKDSA-N 1 2 298.390 2.189 20 30 CEEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000968606740 613775607 /nfs/dbraw/zinc/77/56/07/613775607.db2.gz JEBSQOFAVSDZJU-SWLSCSKDSA-N 1 2 298.390 2.189 20 30 CEEDLO CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)c1cccc(C#N)c1O ZINC000926139380 623531858 /nfs/dbraw/zinc/53/18/58/623531858.db2.gz ZBDALBUGXBXZRY-KPGGICDASA-N 1 2 280.393 2.072 20 30 CEEDLO CC[N@@H+](Cc1ccccc1OCC(=O)OC)C[C@H](C)C#N ZINC000891716306 623924852 /nfs/dbraw/zinc/92/48/52/623924852.db2.gz NVHHKQYNGFTUNV-CYBMUJFWSA-N 1 2 290.363 2.220 20 30 CEEDLO CC[N@H+](Cc1ccccc1OCC(=O)OC)C[C@H](C)C#N ZINC000891716306 623924857 /nfs/dbraw/zinc/92/48/57/623924857.db2.gz NVHHKQYNGFTUNV-CYBMUJFWSA-N 1 2 290.363 2.220 20 30 CEEDLO C=C1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000891989290 624233884 /nfs/dbraw/zinc/23/38/84/624233884.db2.gz AILUSILZEHEBST-UHFFFAOYSA-N 1 2 288.395 2.124 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000892029600 624260851 /nfs/dbraw/zinc/26/08/51/624260851.db2.gz ZTENBOJKMYCAQP-CYBMUJFWSA-N 1 2 264.373 2.269 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000934464672 624513573 /nfs/dbraw/zinc/51/35/73/624513573.db2.gz HVXVXRBLABHCIK-LLVKDONJSA-N 1 2 255.321 2.486 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000934464672 624513575 /nfs/dbraw/zinc/51/35/75/624513575.db2.gz HVXVXRBLABHCIK-LLVKDONJSA-N 1 2 255.321 2.486 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934510854 624550849 /nfs/dbraw/zinc/55/08/49/624550849.db2.gz DZKPLAOFMWHBOV-FZMZJTMJSA-N 1 2 265.303 2.486 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934510854 624550853 /nfs/dbraw/zinc/55/08/53/624550853.db2.gz DZKPLAOFMWHBOV-FZMZJTMJSA-N 1 2 265.303 2.486 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000725779222 624778833 /nfs/dbraw/zinc/77/88/33/624778833.db2.gz RIGLBYSRMSQUOM-JTQLQIEISA-N 1 2 252.387 2.208 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000725779222 624778835 /nfs/dbraw/zinc/77/88/35/624778835.db2.gz RIGLBYSRMSQUOM-JTQLQIEISA-N 1 2 252.387 2.208 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000820646428 634487277 /nfs/dbraw/zinc/48/72/77/634487277.db2.gz GFGOTXUMPOYPRA-CYBMUJFWSA-N 1 2 274.368 2.101 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000820646428 634487280 /nfs/dbraw/zinc/48/72/80/634487280.db2.gz GFGOTXUMPOYPRA-CYBMUJFWSA-N 1 2 274.368 2.101 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCC2)C1 ZINC001006528916 627310612 /nfs/dbraw/zinc/31/06/12/627310612.db2.gz KXQBBUWOYNFHQV-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCC2)C1 ZINC001006528916 627310616 /nfs/dbraw/zinc/31/06/16/627310616.db2.gz KXQBBUWOYNFHQV-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO C=CC[N@H+](CN1Cc2ccccc2C1=O)[C@H](C)COC ZINC000902314277 634578695 /nfs/dbraw/zinc/57/86/95/634578695.db2.gz YSEFRVBFPYTNJC-CYBMUJFWSA-N 1 2 274.364 2.123 20 30 CEEDLO C=CC[N@@H+](CN1Cc2ccccc2C1=O)[C@H](C)COC ZINC000902314277 634578701 /nfs/dbraw/zinc/57/87/01/634578701.db2.gz YSEFRVBFPYTNJC-CYBMUJFWSA-N 1 2 274.364 2.123 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]N(C)C(=S)NC)cc1F ZINC000841647902 627718199 /nfs/dbraw/zinc/71/81/99/627718199.db2.gz MVCVVGVRDVYFEG-UHFFFAOYSA-N 1 2 296.415 2.442 20 30 CEEDLO CC[C@H]([NH2+]Cc1nonc1C)c1cccc(C#N)c1O ZINC000926838326 627725495 /nfs/dbraw/zinc/72/54/95/627725495.db2.gz CJDUQHPHUHVVNZ-LBPRGKRZSA-N 1 2 272.308 2.196 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000678049567 627750634 /nfs/dbraw/zinc/75/06/34/627750634.db2.gz LVNAEFSIBDHLTK-RYUDHWBXSA-N 1 2 253.367 2.058 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000678049567 627750638 /nfs/dbraw/zinc/75/06/38/627750638.db2.gz LVNAEFSIBDHLTK-RYUDHWBXSA-N 1 2 253.367 2.058 20 30 CEEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1csc(C#N)c1 ZINC000893700731 628943390 /nfs/dbraw/zinc/94/33/90/628943390.db2.gz GAWOGOUJNDBYDR-SNVBAGLBSA-N 1 2 279.409 2.355 20 30 CEEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893700731 628943393 /nfs/dbraw/zinc/94/33/93/628943393.db2.gz GAWOGOUJNDBYDR-SNVBAGLBSA-N 1 2 279.409 2.355 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000932151261 628976443 /nfs/dbraw/zinc/97/64/43/628976443.db2.gz XEQXUDFNRXLLQH-LSDHHAIUSA-N 1 2 278.396 2.198 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000932151261 628976446 /nfs/dbraw/zinc/97/64/46/628976446.db2.gz XEQXUDFNRXLLQH-LSDHHAIUSA-N 1 2 278.396 2.198 20 30 CEEDLO CC(C)C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000928213871 629329416 /nfs/dbraw/zinc/32/94/16/629329416.db2.gz AXJOLIOGGOFUAH-KBPBESRZSA-N 1 2 274.368 2.232 20 30 CEEDLO Cn1cc2c(n1)CC/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000794962110 629374117 /nfs/dbraw/zinc/37/41/17/629374117.db2.gz NQALSERTFVWUKT-DHZHZOJOSA-N 1 2 278.315 2.280 20 30 CEEDLO COc1cc2c(cc1OC)C(=O)/C(=C\c1[nH]cc[nH+]1)C2 ZINC000794960564 629374857 /nfs/dbraw/zinc/37/48/57/629374857.db2.gz DJKYFZOORWVANH-YFHOEESVSA-N 1 2 270.288 2.249 20 30 CEEDLO COC(=O)COc1ccccc1C[N@H+](C)CC(C)(C)C#N ZINC000894610704 629552489 /nfs/dbraw/zinc/55/24/89/629552489.db2.gz OSXLNHOQGKTFBY-UHFFFAOYSA-N 1 2 290.363 2.220 20 30 CEEDLO COC(=O)COc1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000894610704 629552492 /nfs/dbraw/zinc/55/24/92/629552492.db2.gz OSXLNHOQGKTFBY-UHFFFAOYSA-N 1 2 290.363 2.220 20 30 CEEDLO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795669497 629649727 /nfs/dbraw/zinc/64/97/27/629649727.db2.gz YEMBWKIOXIDUMK-AWEZNQCLSA-N 1 2 288.347 2.115 20 30 CEEDLO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795669497 629649733 /nfs/dbraw/zinc/64/97/33/629649733.db2.gz YEMBWKIOXIDUMK-AWEZNQCLSA-N 1 2 288.347 2.115 20 30 CEEDLO CC#CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895096021 629891406 /nfs/dbraw/zinc/89/14/06/629891406.db2.gz KAPUDGAKNCQLHH-LLVKDONJSA-N 1 2 271.719 2.049 20 30 CEEDLO C[N@@H+](Cc1nccn1C1CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000895142519 629955168 /nfs/dbraw/zinc/95/51/68/629955168.db2.gz RXBZJDTVMCZUBP-MRXNPFEDSA-N 1 2 296.374 2.255 20 30 CEEDLO C[N@H+](Cc1nccn1C1CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000895142519 629955170 /nfs/dbraw/zinc/95/51/70/629955170.db2.gz RXBZJDTVMCZUBP-MRXNPFEDSA-N 1 2 296.374 2.255 20 30 CEEDLO Cc1nc(C#N)cc(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895348801 630128617 /nfs/dbraw/zinc/12/86/17/630128617.db2.gz FADVKTBPMXWVSD-UHFFFAOYSA-N 1 2 294.362 2.133 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OCC ZINC000895592483 630268999 /nfs/dbraw/zinc/26/89/99/630268999.db2.gz QPIGGITZKSBCOM-FRRDWIJNSA-N 1 2 255.358 2.041 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C(=O)OCC ZINC000895593250 630269128 /nfs/dbraw/zinc/26/91/28/630269128.db2.gz YGEKLGAVFJADOZ-WOPDTQHZSA-N 1 2 257.399 2.368 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)cc1F)C2 ZINC000896660337 630624323 /nfs/dbraw/zinc/62/43/23/630624323.db2.gz WVIOHEFGLSIWHT-UHFFFAOYSA-N 1 2 270.311 2.476 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC1CC(CCO)C1 ZINC000897233067 631007285 /nfs/dbraw/zinc/00/72/85/631007285.db2.gz BVRAWGWFGKWFAZ-UHFFFAOYSA-N 1 2 274.364 2.447 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccc([N+](=O)[O-])cc2)[C@H]2CCCCN12 ZINC000799463761 631028809 /nfs/dbraw/zinc/02/88/09/631028809.db2.gz IWNMJRWYBDONPQ-CYBMUJFWSA-N 1 2 288.307 2.148 20 30 CEEDLO N#Cc1ccc(N[NH2+]C2=CC(=O)N3CCC[C@@H]23)cc1Cl ZINC000799485141 631032554 /nfs/dbraw/zinc/03/25/54/631032554.db2.gz OPXOVEFPXPWLRV-ZDUSSCGKSA-N 1 2 288.738 2.374 20 30 CEEDLO CC[C@H](C)[C@H]([NH2+]CCO[C@H](C)C#N)C(=O)OC(C)(C)C ZINC000801938066 631361596 /nfs/dbraw/zinc/36/15/96/631361596.db2.gz CILSTTQDJJFZAK-XQQFMLRXSA-N 1 2 284.400 2.261 20 30 CEEDLO C[C@H](CC#N)N[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863103788 631465133 /nfs/dbraw/zinc/46/51/33/631465133.db2.gz KMZATFCTLRQCFC-SECBINFHSA-N 1 2 266.295 2.256 20 30 CEEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccnn3C)n2c1 ZINC000193058042 631537274 /nfs/dbraw/zinc/53/72/74/631537274.db2.gz WPCGJCFOTRJCGM-SNAWJCMRSA-N 1 2 266.304 2.272 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1nc(Cl)c(C#N)s1 ZINC000804559946 631703810 /nfs/dbraw/zinc/70/38/10/631703810.db2.gz MWFGAGWCMYFHFI-UHFFFAOYSA-N 1 2 281.772 2.391 20 30 CEEDLO C=CCN1CCN(C[N@@H+]2CCC=C(c3ccncc3)C2)C1=O ZINC000840071764 631770396 /nfs/dbraw/zinc/77/03/96/631770396.db2.gz OVFXUMLZPYVDAA-UHFFFAOYSA-N 1 2 298.390 2.052 20 30 CEEDLO C=CCN1CCN(C[N@H+]2CCC=C(c3ccncc3)C2)C1=O ZINC000840071764 631770403 /nfs/dbraw/zinc/77/04/03/631770403.db2.gz OVFXUMLZPYVDAA-UHFFFAOYSA-N 1 2 298.390 2.052 20 30 CEEDLO Cc1[nH+]cc(CN2CCO[C@](C)(C#N)C2)n1-c1ccccc1 ZINC000897584719 631797699 /nfs/dbraw/zinc/79/76/99/631797699.db2.gz KUBPQDIGNUOXNW-QGZVFWFLSA-N 1 2 296.374 2.295 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c[nH+]1 ZINC000897889577 631962941 /nfs/dbraw/zinc/96/29/41/631962941.db2.gz SZTHIVUCVQSSBF-STQMWFEESA-N 1 2 274.368 2.125 20 30 CEEDLO C#CC[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000898084631 632052173 /nfs/dbraw/zinc/05/21/73/632052173.db2.gz MNBRGYJPULTWHP-CQSZACIVSA-N 1 2 273.380 2.189 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000898194676 632109095 /nfs/dbraw/zinc/10/90/95/632109095.db2.gz MVCMEJKXFSJUGZ-CABCVRRESA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000898194676 632109100 /nfs/dbraw/zinc/10/91/00/632109100.db2.gz MVCMEJKXFSJUGZ-CABCVRRESA-N 1 2 265.328 2.156 20 30 CEEDLO CON=CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000809737228 632135652 /nfs/dbraw/zinc/13/56/52/632135652.db2.gz RLMFCAMBDPTPMM-UHFFFAOYSA-N 1 2 296.330 2.173 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000810189569 632193212 /nfs/dbraw/zinc/19/32/12/632193212.db2.gz FIPRPYRQPPSXBW-CQSZACIVSA-N 1 2 297.424 2.251 20 30 CEEDLO N#CC1(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000810876699 632296050 /nfs/dbraw/zinc/29/60/50/632296050.db2.gz LFDSLIHFTMVOSM-UHFFFAOYSA-N 1 2 295.342 2.321 20 30 CEEDLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1C#N ZINC000926962779 632390477 /nfs/dbraw/zinc/39/04/77/632390477.db2.gz MUAZXHVMXLDQKD-BXUZGUMPSA-N 1 2 267.336 2.254 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1)C1CC1 ZINC000811761791 632440013 /nfs/dbraw/zinc/44/00/13/632440013.db2.gz KPIWZPYWJOJSGT-GJZGRUSLSA-N 1 2 290.407 2.154 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1)C1CC1 ZINC000811761791 632440016 /nfs/dbraw/zinc/44/00/16/632440016.db2.gz KPIWZPYWJOJSGT-GJZGRUSLSA-N 1 2 290.407 2.154 20 30 CEEDLO OCc1ccc(O)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000814841192 632906016 /nfs/dbraw/zinc/90/60/16/632906016.db2.gz FXHSGVVXNAEIIP-UHFFFAOYSA-N 1 2 293.326 2.301 20 30 CEEDLO CC(=[NH+]NC1CCOCC1)c1cc(F)c(N)c(F)c1 ZINC000814868850 632910667 /nfs/dbraw/zinc/91/06/67/632910667.db2.gz LEEDHYKALJGZCJ-UHFFFAOYSA-N 1 2 269.295 2.040 20 30 CEEDLO C=C1C[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000899901738 633086307 /nfs/dbraw/zinc/08/63/07/633086307.db2.gz UVEXMXFACXPANV-HNNXBMFYSA-N 1 2 261.365 2.223 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000899901475 633086748 /nfs/dbraw/zinc/08/67/48/633086748.db2.gz MJLMHUWXJIIWGL-GFCCVEGCSA-N 1 2 298.180 2.061 20 30 CEEDLO C=CCC(F)(F)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000816523878 633407151 /nfs/dbraw/zinc/40/71/51/633407151.db2.gz IFEYGYTVOMRHCF-GFCCVEGCSA-N 1 2 282.290 2.273 20 30 CEEDLO C=C1CCC(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000900786628 633848042 /nfs/dbraw/zinc/84/80/42/633848042.db2.gz HJJHGDQPHRTLFK-ZDUSSCGKSA-N 1 2 261.369 2.382 20 30 CEEDLO CCn1nc(C)c(C[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000818219943 633886796 /nfs/dbraw/zinc/88/67/96/633886796.db2.gz CRBKGMYTPBJMGL-UHFFFAOYSA-N 1 2 269.352 2.076 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)nn1 ZINC000818345166 633914717 /nfs/dbraw/zinc/91/47/17/633914717.db2.gz CSMRCJUFSFGTCG-JTQLQIEISA-N 1 2 277.759 2.363 20 30 CEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccnn1C ZINC000901220114 633995793 /nfs/dbraw/zinc/99/57/93/633995793.db2.gz KLRLVOPZRXJEAD-UHFFFAOYSA-N 1 2 269.352 2.224 20 30 CEEDLO Cn1nccc1N[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000901221613 634010376 /nfs/dbraw/zinc/01/03/76/634010376.db2.gz VRSXFZOYBFAXNR-UHFFFAOYSA-N 1 2 285.351 2.380 20 30 CEEDLO Cc1nn(C)cc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901461297 634133619 /nfs/dbraw/zinc/13/36/19/634133619.db2.gz JONOILNMGFKZNL-WAYWQWQTSA-N 1 2 258.325 2.402 20 30 CEEDLO Cc1c(C(=O)/C=C\c2c[nH+]cn2C(C)C)cnn1C ZINC000901491904 634142046 /nfs/dbraw/zinc/14/20/46/634142046.db2.gz WWGFSVGJRXJCNM-WAYWQWQTSA-N 1 2 258.325 2.402 20 30 CEEDLO CC(C)n1c[nH+]cc1/C=C1\S/C(=N/C2CC2)NC1=O ZINC000901539915 634167111 /nfs/dbraw/zinc/16/71/11/634167111.db2.gz RUZLFYZYAWLBIR-WZUFQYTHSA-N 1 2 276.365 2.186 20 30 CEEDLO C=CC[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C(=O)OC ZINC000901656270 634233631 /nfs/dbraw/zinc/23/36/31/634233631.db2.gz XMLJXDSBEZQRLO-CHWSQXEVSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC000901691641 634252371 /nfs/dbraw/zinc/25/23/71/634252371.db2.gz AVIQUTMAWJAFMM-CQSZACIVSA-N 1 2 289.379 2.059 20 30 CEEDLO CC(=[NH+]N[C@H](C)c1ccncc1)c1csc(N)n1 ZINC000819815196 634271455 /nfs/dbraw/zinc/27/14/55/634271455.db2.gz NSNAGFPGLFDZFF-MRVPVSSYSA-N 1 2 261.354 2.195 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822398632 634910975 /nfs/dbraw/zinc/91/09/75/634910975.db2.gz ZIRWOURHDAYAAR-UONOGXRCSA-N 1 2 261.369 2.388 20 30 CEEDLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(C#N)ccn1 ZINC000902956667 634912378 /nfs/dbraw/zinc/91/23/78/634912378.db2.gz LYUOIEGFJCTMPP-YPMHNXCESA-N 1 2 271.320 2.321 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824555267 635450255 /nfs/dbraw/zinc/45/02/55/635450255.db2.gz ROLCMTOISVNPHC-SNVBAGLBSA-N 1 2 254.280 2.375 20 30 CEEDLO CCCCN(O)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000904208835 635499937 /nfs/dbraw/zinc/49/99/37/635499937.db2.gz LELQZAKWNKJXDQ-ZDUSSCGKSA-N 1 2 250.342 2.307 20 30 CEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000824871674 635517167 /nfs/dbraw/zinc/51/71/67/635517167.db2.gz JHLZMJLVJKXZNB-UHFFFAOYSA-N 1 2 297.358 2.447 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000825077746 635560667 /nfs/dbraw/zinc/56/06/67/635560667.db2.gz HBNZPFJIOVEGKP-UHFFFAOYSA-N 1 2 282.796 2.183 20 30 CEEDLO C[C@@H](C#N)N(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC000825105823 635571144 /nfs/dbraw/zinc/57/11/44/635571144.db2.gz VTSXUKQANLNIPP-VIFPVBQESA-N 1 2 254.293 2.080 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@H]2CC(=O)N(C)C2)c1 ZINC000905002447 635773590 /nfs/dbraw/zinc/77/35/90/635773590.db2.gz PCWWFNFHHIKGOF-NJPLLEPOSA-N 1 2 290.363 2.078 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000826688867 635814981 /nfs/dbraw/zinc/81/49/81/635814981.db2.gz IWXPNCZEMHYKHX-HNNXBMFYSA-N 1 2 270.376 2.339 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000826688867 635814982 /nfs/dbraw/zinc/81/49/82/635814982.db2.gz IWXPNCZEMHYKHX-HNNXBMFYSA-N 1 2 270.376 2.339 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826695652 635816920 /nfs/dbraw/zinc/81/69/20/635816920.db2.gz ITXWLNHKXBRYLS-HOCLYGCPSA-N 1 2 271.364 2.229 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826695652 635816922 /nfs/dbraw/zinc/81/69/22/635816922.db2.gz ITXWLNHKXBRYLS-HOCLYGCPSA-N 1 2 271.364 2.229 20 30 CEEDLO C#CC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000826984667 636177307 /nfs/dbraw/zinc/17/73/07/636177307.db2.gz NDEHRAPPFYPOGN-UHFFFAOYSA-N 1 2 271.364 2.253 20 30 CEEDLO C=CC[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)C(=O)OC ZINC000905775393 636432830 /nfs/dbraw/zinc/43/28/30/636432830.db2.gz WPWHKIOUWITQOZ-IJLUTSLNSA-N 1 2 255.358 2.040 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)C(=O)OC ZINC000905764392 636450593 /nfs/dbraw/zinc/45/05/93/636450593.db2.gz XOJAZPOLHCMSBW-ZBFHGGJFSA-N 1 2 289.375 2.260 20 30 CEEDLO C=CC[C@H]([NH2+]C[C@@H](OC)C1CCCCC1)C(=O)OC ZINC000905774572 636459348 /nfs/dbraw/zinc/45/93/48/636459348.db2.gz QPXHVMSXXFPOJW-UONOGXRCSA-N 1 2 269.385 2.289 20 30 CEEDLO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000906199235 636646442 /nfs/dbraw/zinc/64/64/42/636646442.db2.gz MJGLQYRFIUOQMZ-AWEZNQCLSA-N 1 2 296.374 2.119 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906198785 636658243 /nfs/dbraw/zinc/65/82/43/636658243.db2.gz JMRKDXHKQLYJFG-USPMSXPRSA-N 1 2 286.379 2.108 20 30 CEEDLO C#CC1CC[NH+](Cc2nc([C@H](C)OCC)no2)CC1 ZINC000830326584 637037478 /nfs/dbraw/zinc/03/74/78/637037478.db2.gz WCHMYSNAFHZXLF-NSHDSACASA-N 1 2 263.341 2.012 20 30 CEEDLO C#CC1CC[NH+](CC(=O)Nc2nc(CC)c(C)s2)CC1 ZINC000830343015 637041842 /nfs/dbraw/zinc/04/18/42/637041842.db2.gz JKMPIGKWADTKPX-UHFFFAOYSA-N 1 2 291.420 2.298 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000911167628 638251873 /nfs/dbraw/zinc/25/18/73/638251873.db2.gz ICYRLCCTNQLYKM-GJZGRUSLSA-N 1 2 274.364 2.296 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911313923 638276327 /nfs/dbraw/zinc/27/63/27/638276327.db2.gz ZBPUWXIRNQTRCB-NSHDSACASA-N 1 2 268.320 2.043 20 30 CEEDLO C=CCN(Cc1cccs1)C(=O)C[C@H]([NH3+])C(F)F ZINC000912082653 638538975 /nfs/dbraw/zinc/53/89/75/638538975.db2.gz XHXSUUNXGFCTIA-JTQLQIEISA-N 1 2 274.336 2.245 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000837390406 639211555 /nfs/dbraw/zinc/21/15/55/639211555.db2.gz FJBUAZURFMWAHL-GFCCVEGCSA-N 1 2 259.353 2.165 20 30 CEEDLO C[C@H]1CCN(C(=O)C#CC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000837468018 639241542 /nfs/dbraw/zinc/24/15/42/639241542.db2.gz JTVFOYZYFLCYIN-KBPBESRZSA-N 1 2 273.380 2.342 20 30 CEEDLO C#CC[N@@H+](CCCCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000157915780 639549422 /nfs/dbraw/zinc/54/94/22/639549422.db2.gz DEZTYDUTTSRDJJ-OAHLLOKOSA-N 1 2 285.453 2.469 20 30 CEEDLO C#CC[N@H+](CCCCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000157915780 639549427 /nfs/dbraw/zinc/54/94/27/639549427.db2.gz DEZTYDUTTSRDJJ-OAHLLOKOSA-N 1 2 285.453 2.469 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172940317 639830299 /nfs/dbraw/zinc/83/02/99/639830299.db2.gz DOQZFDNNHCDSLR-TXEJJXNPSA-N 1 2 278.425 2.454 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172940317 639830304 /nfs/dbraw/zinc/83/03/04/639830304.db2.gz DOQZFDNNHCDSLR-TXEJJXNPSA-N 1 2 278.425 2.454 20 30 CEEDLO CC[C@@H](CO[NH+]=C(N)c1ccc(F)c(C)c1)OC ZINC000842022969 639921612 /nfs/dbraw/zinc/92/16/12/639921612.db2.gz RRKDFDSQBIPWPN-NSHDSACASA-N 1 2 254.305 2.196 20 30 CEEDLO C#CC[C@@H]1CCC[N@@H+](Cn2ncn(CC)c2=S)C1 ZINC000842627346 640124503 /nfs/dbraw/zinc/12/45/03/640124503.db2.gz GSRVBCCVGCWVOL-GFCCVEGCSA-N 1 2 264.398 2.127 20 30 CEEDLO C#CC[C@@H]1CCC[N@H+](Cn2ncn(CC)c2=S)C1 ZINC000842627346 640124505 /nfs/dbraw/zinc/12/45/05/640124505.db2.gz GSRVBCCVGCWVOL-GFCCVEGCSA-N 1 2 264.398 2.127 20 30 CEEDLO NC(=[NH+]OCCC[C@H]1CCOC1)c1ccc(F)cc1 ZINC000842648649 640134226 /nfs/dbraw/zinc/13/42/26/640134226.db2.gz KIQQBVRXXZWACM-NSHDSACASA-N 1 2 266.316 2.279 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)n[nH]2)[C@@H]1C ZINC000993071780 640427334 /nfs/dbraw/zinc/42/73/34/640427334.db2.gz MYKCEFOHKZSEEL-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)n[nH]2)[C@@H]1C ZINC000993071780 640427336 /nfs/dbraw/zinc/42/73/36/640427336.db2.gz MYKCEFOHKZSEEL-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO Nc1ccc2c(n1)CCCC2=[NH+]OC/C=C/Cl ZINC000834978960 640450273 /nfs/dbraw/zinc/45/02/73/640450273.db2.gz KBFMONKTOVVSJU-WSVDXXRDSA-N 1 2 251.717 2.473 20 30 CEEDLO Nc1ccc2c([nH+]1)CCCC2=NOC/C=C/Cl ZINC000834978960 640450276 /nfs/dbraw/zinc/45/02/76/640450276.db2.gz KBFMONKTOVVSJU-WSVDXXRDSA-N 1 2 251.717 2.473 20 30 CEEDLO CCCCCCCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000914737405 640461961 /nfs/dbraw/zinc/46/19/61/640461961.db2.gz DVFHQMZLSWKMMK-CQSZACIVSA-N 1 2 270.417 2.184 20 30 CEEDLO CC[NH+](CC)Cc1csc(NC(=O)CSCC#N)n1 ZINC000915144028 640517553 /nfs/dbraw/zinc/51/75/53/640517553.db2.gz IBIYPEOFNBUWHT-UHFFFAOYSA-N 1 2 298.437 2.180 20 30 CEEDLO C#CCN(C(=O)NCC[NH+]1Cc2ccccc2C1)C(C)C ZINC000915176672 640522864 /nfs/dbraw/zinc/52/28/64/640522864.db2.gz FREBPYQLJQHUMI-UHFFFAOYSA-N 1 2 285.391 2.055 20 30 CEEDLO CC(=O)OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000153540722 640540064 /nfs/dbraw/zinc/54/00/64/640540064.db2.gz QXMDJNYCQXOPME-UHFFFAOYSA-N 1 2 276.311 2.225 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2n[nH]cc2C)[C@@H]1C ZINC000993289845 640573797 /nfs/dbraw/zinc/57/37/97/640573797.db2.gz IXCWAWRHQDEJGW-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2n[nH]cc2C)[C@@H]1C ZINC000993289845 640573798 /nfs/dbraw/zinc/57/37/98/640573798.db2.gz IXCWAWRHQDEJGW-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccsn2)[C@H]1C ZINC000993477737 640648430 /nfs/dbraw/zinc/64/84/30/640648430.db2.gz JSZATLNDUYTETF-MNOVXSKESA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccsn2)[C@H]1C ZINC000993477737 640648431 /nfs/dbraw/zinc/64/84/31/640648431.db2.gz JSZATLNDUYTETF-MNOVXSKESA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000993598223 640657191 /nfs/dbraw/zinc/65/71/91/640657191.db2.gz CPYNMIPLKMHGFW-CMPLNLGQSA-N 1 2 299.777 2.489 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000993598223 640657195 /nfs/dbraw/zinc/65/71/95/640657195.db2.gz CPYNMIPLKMHGFW-CMPLNLGQSA-N 1 2 299.777 2.489 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015750346 640823419 /nfs/dbraw/zinc/82/34/19/640823419.db2.gz BDLNGCRAPQDARQ-HZPDHXFCSA-N 1 2 295.386 2.049 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015750346 640823422 /nfs/dbraw/zinc/82/34/22/640823422.db2.gz BDLNGCRAPQDARQ-HZPDHXFCSA-N 1 2 295.386 2.049 20 30 CEEDLO CC[NH+](CC)Cc1csc(NC(=O)C(C)(C)C#N)n1 ZINC000917631236 640908298 /nfs/dbraw/zinc/90/82/98/640908298.db2.gz NJESCVFLMHQYSI-UHFFFAOYSA-N 1 2 280.397 2.473 20 30 CEEDLO O=C(Cc1cn2c([nH+]1)CCCC2)OCC#Cc1ccccc1 ZINC000845448413 640977356 /nfs/dbraw/zinc/97/73/56/640977356.db2.gz JXASGKNSXPDDEK-UHFFFAOYSA-N 1 2 294.354 2.357 20 30 CEEDLO CC[N@@H+](C[C@H](O)c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000920087259 641114758 /nfs/dbraw/zinc/11/47/58/641114758.db2.gz GLUAEUFTBDBPJQ-DOMZBBRYSA-N 1 2 292.379 2.219 20 30 CEEDLO CC[N@H+](C[C@H](O)c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000920087259 641114760 /nfs/dbraw/zinc/11/47/60/641114760.db2.gz GLUAEUFTBDBPJQ-DOMZBBRYSA-N 1 2 292.379 2.219 20 30 CEEDLO C#Cc1cccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000846250188 641242442 /nfs/dbraw/zinc/24/24/42/641242442.db2.gz VZTWCZGZJQPKSC-UHFFFAOYSA-N 1 2 293.370 2.060 20 30 CEEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3C)CC2)on1 ZINC000846745980 641410025 /nfs/dbraw/zinc/41/00/25/641410025.db2.gz WBNSZUFEWIAGMC-UHFFFAOYSA-N 1 2 296.374 2.485 20 30 CEEDLO C#C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000847020932 641526874 /nfs/dbraw/zinc/52/68/74/641526874.db2.gz GRVRIVLNNBUBBH-GXTWGEPZSA-N 1 2 299.399 2.070 20 30 CEEDLO C#C[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000847020932 641526879 /nfs/dbraw/zinc/52/68/79/641526879.db2.gz GRVRIVLNNBUBBH-GXTWGEPZSA-N 1 2 299.399 2.070 20 30 CEEDLO C#CCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000070246662 641651124 /nfs/dbraw/zinc/65/11/24/641651124.db2.gz ABAHJTYPXNAWHB-UHFFFAOYSA-N 1 2 263.304 2.251 20 30 CEEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000071939161 641842347 /nfs/dbraw/zinc/84/23/47/641842347.db2.gz YUHUHFYFDAMSKJ-UHFFFAOYSA-N 1 2 297.358 2.465 20 30 CEEDLO CC(C)[C@@H]1CC(=NNCCCn2cc[nH+]c2)CS1 ZINC000848416324 641985096 /nfs/dbraw/zinc/98/50/96/641985096.db2.gz HFWGLKZVUNFBSV-ZDUSSCGKSA-N 1 2 266.414 2.380 20 30 CEEDLO FC(F)Oc1cccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000848417544 641985698 /nfs/dbraw/zinc/98/56/98/641985698.db2.gz AVXWLHKRWIEOOC-UHFFFAOYSA-N 1 2 294.305 2.498 20 30 CEEDLO FCC[C@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848417167 641985750 /nfs/dbraw/zinc/98/57/50/641985750.db2.gz NKSFHXWOSXKMPM-GFCCVEGCSA-N 1 2 252.337 2.379 20 30 CEEDLO CC(C)c1ncc(C=NNCCCn2cc[nH+]c2)s1 ZINC000848417939 641986065 /nfs/dbraw/zinc/98/60/65/641986065.db2.gz HTUJNTBTZAZXEJ-UHFFFAOYSA-N 1 2 277.397 2.477 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc2c(c1)COC2 ZINC000848418542 641986894 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C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(C#N)c1O ZINC000866366189 647758407 /nfs/dbraw/zinc/75/84/07/647758407.db2.gz YIIFAMNRSCEVAS-IAQYHMDHSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc(C#N)c1O ZINC000866372499 647762608 /nfs/dbraw/zinc/76/26/08/647762608.db2.gz RFRXRGYWWXFGRK-NWDGAFQWSA-N 1 2 284.363 2.279 20 30 CEEDLO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C#N)c1O ZINC000866386042 647767501 /nfs/dbraw/zinc/76/75/01/647767501.db2.gz WJSJNLRTDBWOMP-HZMBPMFUSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cccc(C#N)c1O ZINC000866391738 647770309 /nfs/dbraw/zinc/77/03/09/647770309.db2.gz OQJKOJZCDJGPKK-MNOVXSKESA-N 1 2 270.336 2.409 20 30 CEEDLO C[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(C#N)c1O ZINC000866394017 647771549 /nfs/dbraw/zinc/77/15/49/647771549.db2.gz SAHGOJCOKZRDTB-DCBWTQNWSA-N 1 2 274.364 2.466 20 30 CEEDLO N#Cc1c(F)cccc1C(=O)OCCCn1cc[nH+]c1 ZINC000784822821 647884667 /nfs/dbraw/zinc/88/46/67/647884667.db2.gz KAUURIGXDBVMBK-UHFFFAOYSA-N 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/nfs/dbraw/zinc/88/36/97/648883697.db2.gz BYUAXKBWSZYRLJ-UHFFFAOYSA-N 1 2 260.263 2.024 20 30 CEEDLO CN(C)c1cc[nH+]cc1C=NNCCC(F)(F)F ZINC000794551383 648883699 /nfs/dbraw/zinc/88/36/99/648883699.db2.gz BYUAXKBWSZYRLJ-UHFFFAOYSA-N 1 2 260.263 2.024 20 30 CEEDLO CCC[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794632751 648896376 /nfs/dbraw/zinc/89/63/76/648896376.db2.gz RTMTTXSXMSCRMA-LBPRGKRZSA-N 1 2 293.440 2.487 20 30 CEEDLO CCC[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794632751 648896378 /nfs/dbraw/zinc/89/63/78/648896378.db2.gz RTMTTXSXMSCRMA-LBPRGKRZSA-N 1 2 293.440 2.487 20 30 CEEDLO CCC[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(=O)OCC ZINC000871928832 649218325 /nfs/dbraw/zinc/21/83/25/649218325.db2.gz LVLXFBHXGTUWQX-CVEARBPZSA-N 1 2 286.375 2.347 20 30 CEEDLO C=CC[N@H+](CN1CCC2(CCCC2)C1=O)[C@@H](C)COC ZINC000872624356 649443297 /nfs/dbraw/zinc/44/32/97/649443297.db2.gz MGIONUOHWYTMES-AWEZNQCLSA-N 1 2 280.412 2.260 20 30 CEEDLO C=CC[N@@H+](CN1CCC2(CCCC2)C1=O)[C@@H](C)COC 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20 30 CEEDLO C#CCC1(O)CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000880479639 651447879 /nfs/dbraw/zinc/44/78/79/651447879.db2.gz YZVYZDRYPNPYNZ-LBPRGKRZSA-N 1 2 277.368 2.104 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000880479627 651447901 /nfs/dbraw/zinc/44/79/01/651447901.db2.gz SKRRLZIPUKEKTI-UHFFFAOYSA-N 1 2 291.395 2.008 20 30 CEEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000883007055 652321049 /nfs/dbraw/zinc/32/10/49/652321049.db2.gz KOQXMQOLWJADOE-ZDUSSCGKSA-N 1 2 276.384 2.206 20 30 CEEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000883007055 652321053 /nfs/dbraw/zinc/32/10/53/652321053.db2.gz KOQXMQOLWJADOE-ZDUSSCGKSA-N 1 2 276.384 2.206 20 30 CEEDLO C#C[C@@H](C)NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889335281 652608513 /nfs/dbraw/zinc/60/85/13/652608513.db2.gz AWYNDLMVEDGMNY-MGPQQGTHSA-N 1 2 286.379 2.126 20 30 CEEDLO C#CC[NH+]1CCN(Cc2coc3ccc(F)cc23)CC1 ZINC001141854855 805848519 /nfs/dbraw/zinc/84/85/19/805848519.db2.gz SVOWDWFYGAXWDL-UHFFFAOYSA-N 1 2 272.323 2.323 20 30 CEEDLO CCCCCC#CC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001271959022 806160105 /nfs/dbraw/zinc/16/01/05/806160105.db2.gz RLXFUWVBDLDLKH-UHFFFAOYSA-N 1 2 299.418 2.243 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H]1C ZINC001088491211 806311815 /nfs/dbraw/zinc/31/18/15/806311815.db2.gz OSRRRJDGFMHJAP-YPMHNXCESA-N 1 2 284.787 2.012 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H]1C ZINC001088491211 806311822 /nfs/dbraw/zinc/31/18/22/806311822.db2.gz OSRRRJDGFMHJAP-YPMHNXCESA-N 1 2 284.787 2.012 20 30 CEEDLO COC(C[N@H+](C)Cc1ccc(C#N)cc1Cl)OC ZINC000714580186 806550284 /nfs/dbraw/zinc/55/02/84/806550284.db2.gz QZMPOHFZWRUORR-UHFFFAOYSA-N 1 2 268.744 2.262 20 30 CEEDLO COC(C[N@@H+](C)Cc1ccc(C#N)cc1Cl)OC ZINC000714580186 806550288 /nfs/dbraw/zinc/55/02/88/806550288.db2.gz QZMPOHFZWRUORR-UHFFFAOYSA-N 1 2 268.744 2.262 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccoc2)cc1 ZINC001038062207 806737804 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Cc1cc(C)c(Nc2c(C#N)cnc3ccnn32)c[nH+]1 ZINC001213505791 802360094 /nfs/dbraw/zinc/36/00/94/802360094.db2.gz PSZVGUCTRKFMJV-UHFFFAOYSA-N 1 2 264.292 2.356 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(OC)c(Cl)cc2F)CC1 ZINC001209668220 802559864 /nfs/dbraw/zinc/55/98/64/802559864.db2.gz VYKUYRLDYVCYQF-UHFFFAOYSA-N 1 2 296.773 2.239 20 30 CEEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N)c1 ZINC001167616395 803203247 /nfs/dbraw/zinc/20/32/47/803203247.db2.gz HZIIIIOVBAQEHH-UHFFFAOYSA-N 1 2 269.264 2.056 20 30 CEEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001140599710 803212917 /nfs/dbraw/zinc/21/29/17/803212917.db2.gz NROZHNBYQPFZEE-QWHCGFSZSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001140599710 803212919 /nfs/dbraw/zinc/21/29/19/803212919.db2.gz NROZHNBYQPFZEE-QWHCGFSZSA-N 1 2 268.719 2.116 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038243105 803214445 /nfs/dbraw/zinc/21/44/45/803214445.db2.gz AEGUWBXRMRNLOW-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038243105 803214447 /nfs/dbraw/zinc/21/44/47/803214447.db2.gz AEGUWBXRMRNLOW-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1ccccc1C#N ZINC001267194719 803218364 /nfs/dbraw/zinc/21/83/64/803218364.db2.gz WABWSYXIKFPGED-UHFFFAOYSA-N 1 2 297.402 2.156 20 30 CEEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1ccccc1C#N ZINC001267194719 803218367 /nfs/dbraw/zinc/21/83/67/803218367.db2.gz WABWSYXIKFPGED-UHFFFAOYSA-N 1 2 297.402 2.156 20 30 CEEDLO C=C(C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001167666567 803283645 /nfs/dbraw/zinc/28/36/45/803283645.db2.gz SHYUIILLJXLNPD-UHFFFAOYSA-N 1 2 288.395 2.158 20 30 CEEDLO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001267294998 803340321 /nfs/dbraw/zinc/34/03/21/803340321.db2.gz ORRUUUARTLYWTF-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001267294998 803340327 /nfs/dbraw/zinc/34/03/27/803340327.db2.gz ORRUUUARTLYWTF-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267294998 803340331 /nfs/dbraw/zinc/34/03/31/803340331.db2.gz ORRUUUARTLYWTF-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267294998 803340337 /nfs/dbraw/zinc/34/03/37/803340337.db2.gz ORRUUUARTLYWTF-MNOVXSKESA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001093501746 814950538 /nfs/dbraw/zinc/95/05/38/814950538.db2.gz QGLNYYLOWVAMSJ-UHFFFAOYSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267747562 803703481 /nfs/dbraw/zinc/70/34/81/803703481.db2.gz ZJXKOVVWWWHOSN-HQIZRNBFSA-N 1 2 268.788 2.452 20 30 CEEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267747562 803703484 /nfs/dbraw/zinc/70/34/84/803703484.db2.gz ZJXKOVVWWWHOSN-HQIZRNBFSA-N 1 2 268.788 2.452 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CC)[NH2+]Cc1csnn1 ZINC001267818784 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346136812 /nfs/dbraw/zinc/13/68/12/346136812.db2.gz ZKYMRMJCYFCMIG-AGIUHOORSA-N 1 2 255.358 2.041 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000597341326 346174091 /nfs/dbraw/zinc/17/40/91/346174091.db2.gz DHEHKBUJTJSYKX-MGPQQGTHSA-N 1 2 286.379 2.112 20 30 CEEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1OC ZINC000597193864 346145549 /nfs/dbraw/zinc/14/55/49/346145549.db2.gz RSNHHQKNFXDOND-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(OC)c1OC ZINC000597229543 346155166 /nfs/dbraw/zinc/15/51/66/346155166.db2.gz MDIHRNBAZCFGFI-INIZCTEOSA-N 1 2 290.363 2.448 20 30 CEEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(OC)c1OC ZINC000597229543 346155168 /nfs/dbraw/zinc/15/51/68/346155168.db2.gz MDIHRNBAZCFGFI-INIZCTEOSA-N 1 2 290.363 2.448 20 30 CEEDLO COCCOc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597228699 346155378 /nfs/dbraw/zinc/15/53/78/346155378.db2.gz GCOPIJQNCKOFGL-INIZCTEOSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597228699 346155379 /nfs/dbraw/zinc/15/53/79/346155379.db2.gz GCOPIJQNCKOFGL-INIZCTEOSA-N 1 2 274.364 2.447 20 30 CEEDLO Cc1ccc2[nH+]cc(CN3CC[C@](C)(C#N)C3)n2c1 ZINC000597231170 346156208 /nfs/dbraw/zinc/15/62/08/346156208.db2.gz WXOBLPLZIRBDPD-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO COc1cc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)ccc1C#N ZINC000597251894 346162189 /nfs/dbraw/zinc/16/21/89/346162189.db2.gz PRJUJGYTLCGPAX-HNNXBMFYSA-N 1 2 296.317 2.423 20 30 CEEDLO COc1cc(C[N@H+]2CCO[C@](C)(C(F)F)C2)ccc1C#N ZINC000597251894 346162192 /nfs/dbraw/zinc/16/21/92/346162192.db2.gz PRJUJGYTLCGPAX-HNNXBMFYSA-N 1 2 296.317 2.423 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000597257586 346163346 /nfs/dbraw/zinc/16/33/46/346163346.db2.gz GTZPZNHMVPEETM-XJKCOSOUSA-N 1 2 286.379 2.034 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(C)C)Cc1ccc(Cl)s1 ZINC000061758828 362688762 /nfs/dbraw/zinc/68/87/62/362688762.db2.gz OFBHTVLQGDZGRY-UHFFFAOYSA-N 1 2 272.801 2.478 20 30 CEEDLO C=CC[N@H+](CC(=O)N(C)C)Cc1ccc(Cl)s1 ZINC000061758828 362688768 /nfs/dbraw/zinc/68/87/68/362688768.db2.gz OFBHTVLQGDZGRY-UHFFFAOYSA-N 1 2 272.801 2.478 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@](C)(C#N)C3)cc2n1C ZINC000598418472 346352645 /nfs/dbraw/zinc/35/26/45/346352645.db2.gz SMHQUTMRPUTGFN-MRXNPFEDSA-N 1 2 282.347 2.258 20 30 CEEDLO C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1[nH+]ccn1C ZINC000598463732 346361245 /nfs/dbraw/zinc/36/12/45/346361245.db2.gz AOGPUXDKHPMDBC-GFCCVEGCSA-N 1 2 294.358 2.466 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591138 346378316 /nfs/dbraw/zinc/37/83/16/346378316.db2.gz UHEJZTMSUZOQJM-NEPJUHHUSA-N 1 2 292.383 2.070 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591138 346378319 /nfs/dbraw/zinc/37/83/19/346378319.db2.gz UHEJZTMSUZOQJM-NEPJUHHUSA-N 1 2 292.383 2.070 20 30 CEEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592166 346379539 /nfs/dbraw/zinc/37/95/39/346379539.db2.gz GNDMTJSCFFAZAG-ZIAGYGMSSA-N 1 2 292.379 2.262 20 30 CEEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592166 346379541 /nfs/dbraw/zinc/37/95/41/346379541.db2.gz GNDMTJSCFFAZAG-ZIAGYGMSSA-N 1 2 292.379 2.262 20 30 CEEDLO N#CCC1C[NH+](Cc2ccnn2CCc2ccccc2)C1 ZINC000598673165 346397446 /nfs/dbraw/zinc/39/74/46/346397446.db2.gz HIDLPFCUSVIHLS-UHFFFAOYSA-N 1 2 280.375 2.471 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000598973615 346439836 /nfs/dbraw/zinc/43/98/36/346439836.db2.gz CHNHCSKFTHWDHL-CQSZACIVSA-N 1 2 294.358 2.459 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1(C#N)CCCCC1)CC2 ZINC000599245231 346483609 /nfs/dbraw/zinc/48/36/09/346483609.db2.gz QPNLXTCFYXEOMP-ZDUSSCGKSA-N 1 2 286.379 2.097 20 30 CEEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1C#N ZINC000599342763 346502710 /nfs/dbraw/zinc/50/27/10/346502710.db2.gz VBWIRHWCYYYJDN-OAHLLOKOSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1C#N ZINC000599342763 346502712 /nfs/dbraw/zinc/50/27/12/346502712.db2.gz VBWIRHWCYYYJDN-OAHLLOKOSA-N 1 2 281.363 2.332 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599579344 346541285 /nfs/dbraw/zinc/54/12/85/346541285.db2.gz BIZNLXIBMNYSAV-YNEHKIRRSA-N 1 2 297.395 2.014 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599579344 346541288 /nfs/dbraw/zinc/54/12/88/346541288.db2.gz BIZNLXIBMNYSAV-YNEHKIRRSA-N 1 2 297.395 2.014 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1C#N ZINC000599642600 346551829 /nfs/dbraw/zinc/55/18/29/346551829.db2.gz NLXSJWZRTOISGB-CQSZACIVSA-N 1 2 278.327 2.127 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1C#N ZINC000599642600 346551830 /nfs/dbraw/zinc/55/18/30/346551830.db2.gz NLXSJWZRTOISGB-CQSZACIVSA-N 1 2 278.327 2.127 20 30 CEEDLO COC(=O)[C@H](C[C@@H]1CCCOC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000600206255 346622653 /nfs/dbraw/zinc/62/26/53/346622653.db2.gz HBWCEVBKKDTXJT-AJNGGQMLSA-N 1 2 294.395 2.017 20 30 CEEDLO C[C@H]1CCN(c2cccc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000268214886 136606159 /nfs/dbraw/zinc/60/61/59/136606159.db2.gz BDIUSZLZEMMIML-GXTWGEPZSA-N 1 2 267.336 2.237 20 30 CEEDLO N#Cc1cccc2c1CN(Cc1cc3c(c[nH+]1)OCCO3)C2 ZINC000602704804 347159125 /nfs/dbraw/zinc/15/91/25/347159125.db2.gz JRKJMVBMCUZZQX-UHFFFAOYSA-N 1 2 293.326 2.240 20 30 CEEDLO COc1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000602704485 347159159 /nfs/dbraw/zinc/15/91/59/347159159.db2.gz GCLIUTXAGUCADE-JTQLQIEISA-N 1 2 251.355 2.277 20 30 CEEDLO COc1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000602704485 347159164 /nfs/dbraw/zinc/15/91/64/347159164.db2.gz GCLIUTXAGUCADE-JTQLQIEISA-N 1 2 251.355 2.277 20 30 CEEDLO N#CC1(C[NH2+]Cc2cc3c(cn2)OCCO3)CCCCC1 ZINC000602715687 347166296 /nfs/dbraw/zinc/16/62/96/347166296.db2.gz GYVSXHKCFXYBAG-UHFFFAOYSA-N 1 2 287.363 2.416 20 30 CEEDLO CSc1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602862286 347228822 /nfs/dbraw/zinc/22/88/22/347228822.db2.gz JMOOAWCRMZBCIV-SNVBAGLBSA-N 1 2 263.366 2.239 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000602861321 347229043 /nfs/dbraw/zinc/22/90/43/347229043.db2.gz GZVFHNMNJQXWDO-RKDXNWHRSA-N 1 2 267.279 2.184 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000602862796 347230182 /nfs/dbraw/zinc/23/01/82/347230182.db2.gz KBFWDBDUDMIOND-MGPQQGTHSA-N 1 2 273.380 2.187 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000602867505 347231323 /nfs/dbraw/zinc/23/13/23/347231323.db2.gz CWSIVFHFQWAKOC-WBMJQRKESA-N 1 2 271.364 2.146 20 30 CEEDLO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)cc1 ZINC000602866189 347231326 /nfs/dbraw/zinc/23/13/26/347231326.db2.gz ZAAZWTIPMYVGGD-VXGBXAGGSA-N 1 2 259.353 2.468 20 30 CEEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)CC#N)c(C#N)c1C ZINC000602868665 347231533 /nfs/dbraw/zinc/23/15/33/347231533.db2.gz KDCJQTUHTLZELY-QMMMGPOBSA-N 1 2 276.365 2.067 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602869062 347232163 /nfs/dbraw/zinc/23/21/63/347232163.db2.gz LXUPRRRMCQEFEI-VIFPVBQESA-N 1 2 276.727 2.042 20 30 CEEDLO CCc1noc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602910051 347244545 /nfs/dbraw/zinc/24/45/45/347244545.db2.gz COUYBOPJKGXLFA-UHFFFAOYSA-N 1 2 297.362 2.278 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccn1 ZINC000603128715 347292635 /nfs/dbraw/zinc/29/26/35/347292635.db2.gz NPVLXWRULMYBII-UHFFFAOYSA-N 1 2 296.334 2.088 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccn1 ZINC000603128715 347292639 /nfs/dbraw/zinc/29/26/39/347292639.db2.gz NPVLXWRULMYBII-UHFFFAOYSA-N 1 2 296.334 2.088 20 30 CEEDLO CC(C)N(C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N)C(C)C ZINC000602974589 347261445 /nfs/dbraw/zinc/26/14/45/347261445.db2.gz QJUVUAAHIOVAHD-KBPBESRZSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)N(C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)C(C)C ZINC000602974589 347261448 /nfs/dbraw/zinc/26/14/48/347261448.db2.gz QJUVUAAHIOVAHD-KBPBESRZSA-N 1 2 265.401 2.256 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977841 347262922 /nfs/dbraw/zinc/26/29/22/347262922.db2.gz HYWJVCAJICGVNM-XPKDYRNWSA-N 1 2 289.423 2.400 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977841 347262923 /nfs/dbraw/zinc/26/29/23/347262923.db2.gz HYWJVCAJICGVNM-XPKDYRNWSA-N 1 2 289.423 2.400 20 30 CEEDLO Cc1ccc2nc(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)cc(=O)n2c1 ZINC000602978173 347263295 /nfs/dbraw/zinc/26/32/95/347263295.db2.gz MQRDLSTZLIHBKG-HIFRSBDPSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1ccc2nc(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)cc(=O)n2c1 ZINC000602978173 347263299 /nfs/dbraw/zinc/26/32/99/347263299.db2.gz MQRDLSTZLIHBKG-HIFRSBDPSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1csc(NC(=O)N(C)Cc2[nH]cc[nH+]2)c1C#N ZINC000603011456 347272129 /nfs/dbraw/zinc/27/21/29/347272129.db2.gz DICONWBHKMDCEZ-UHFFFAOYSA-N 1 2 275.337 2.315 20 30 CEEDLO Cc1nccc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000603834685 347390827 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CCOC(=O)c1ccc(C[N@@H+](CC)C[C@@H](C)C#N)o1 ZINC000091984028 180297141 /nfs/dbraw/zinc/29/71/41/180297141.db2.gz XRHZVXWNJFWGIR-NSHDSACASA-N 1 2 264.325 2.438 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305406 186107944 /nfs/dbraw/zinc/10/79/44/186107944.db2.gz YKZRSIMHCOJSOX-INIZCTEOSA-N 1 2 271.364 2.057 20 30 CEEDLO CC[C@@H](F)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000352200534 219356937 /nfs/dbraw/zinc/35/69/37/219356937.db2.gz MHSKIBAUNYIVIH-LLVKDONJSA-N 1 2 282.388 2.193 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000626831359 350796612 /nfs/dbraw/zinc/79/66/12/350796612.db2.gz AHUYBXGHFDSDCD-DZGCQCFKSA-N 1 2 299.374 2.354 20 30 CEEDLO CCn1cc(C[N@H+](C)Cc2ccccc2C#N)cn1 ZINC000072982577 363189864 /nfs/dbraw/zinc/18/98/64/363189864.db2.gz JRHJBWIYEPLXKY-UHFFFAOYSA-N 1 2 254.337 2.407 20 30 CEEDLO CCn1cc(C[N@@H+](C)Cc2ccccc2C#N)cn1 ZINC000072982577 363189866 /nfs/dbraw/zinc/18/98/66/363189866.db2.gz JRHJBWIYEPLXKY-UHFFFAOYSA-N 1 2 254.337 2.407 20 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294.782 2.481 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000428855387 377500698 /nfs/dbraw/zinc/50/06/98/377500698.db2.gz IEJRAQANTVSHPB-CQSZACIVSA-N 1 2 294.782 2.481 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)ccc1C#N ZINC000332292668 377561455 /nfs/dbraw/zinc/56/14/55/377561455.db2.gz JQDWFYQJHVOPDU-AWEZNQCLSA-N 1 2 298.346 2.335 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)ccc1C#N ZINC000332292668 377561460 /nfs/dbraw/zinc/56/14/60/377561460.db2.gz JQDWFYQJHVOPDU-AWEZNQCLSA-N 1 2 298.346 2.335 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000265448336 190182397 /nfs/dbraw/zinc/18/23/97/190182397.db2.gz RUVQSXVEODWDRG-GFCCVEGCSA-N 1 2 272.352 2.407 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)CC(C)(C)C#N ZINC000433283905 377783581 /nfs/dbraw/zinc/78/35/81/377783581.db2.gz DMEBQWZYHYBHIZ-ZDUSSCGKSA-N 1 2 285.391 2.446 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CC(C)(C)C#N ZINC000433283905 377783587 /nfs/dbraw/zinc/78/35/87/377783587.db2.gz DMEBQWZYHYBHIZ-ZDUSSCGKSA-N 1 2 285.391 2.446 20 30 CEEDLO C#CCCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294573733 377997728 /nfs/dbraw/zinc/99/77/28/377997728.db2.gz CBRVYSYNDBTRPE-AWEZNQCLSA-N 1 2 272.327 2.426 20 30 CEEDLO CSc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1C ZINC000574685804 335039334 /nfs/dbraw/zinc/03/93/34/335039334.db2.gz DZXGKPBWVIAXHY-ZDUSSCGKSA-N 1 2 293.436 2.335 20 30 CEEDLO CSc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC000574685804 335039335 /nfs/dbraw/zinc/03/93/35/335039335.db2.gz DZXGKPBWVIAXHY-ZDUSSCGKSA-N 1 2 293.436 2.335 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000443063272 378031891 /nfs/dbraw/zinc/03/18/91/378031891.db2.gz ACUIUZPYXSEHQL-KRWDZBQOSA-N 1 2 289.375 2.243 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000443063272 378031897 /nfs/dbraw/zinc/03/18/97/378031897.db2.gz ACUIUZPYXSEHQL-KRWDZBQOSA-N 1 2 289.375 2.243 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725406 378079855 /nfs/dbraw/zinc/07/98/55/378079855.db2.gz GSWVLVVDGYMFTP-IJLUTSLNSA-N 1 2 289.301 2.065 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725406 378079860 /nfs/dbraw/zinc/07/98/60/378079860.db2.gz GSWVLVVDGYMFTP-IJLUTSLNSA-N 1 2 289.301 2.065 20 30 CEEDLO C=CCOc1ccc(CC(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000294796970 378020115 /nfs/dbraw/zinc/02/01/15/378020115.db2.gz BEINTXFVFXBVBS-UHFFFAOYSA-N 1 2 285.347 2.142 20 30 CEEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(F)F ZINC000449414446 378212966 /nfs/dbraw/zinc/21/29/66/378212966.db2.gz MBQFZOCSVUXYQN-SECBINFHSA-N 1 2 264.279 2.339 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OCC ZINC000449661426 378218192 /nfs/dbraw/zinc/21/81/92/378218192.db2.gz ZVFCJBGHZKNVQN-XQQFMLRXSA-N 1 2 250.342 2.166 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)C1=O ZINC000295471164 378172001 /nfs/dbraw/zinc/17/20/01/378172001.db2.gz XZERFZDCKCZVTE-MRXNPFEDSA-N 1 2 286.375 2.108 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)C1=O ZINC000295471164 378172002 /nfs/dbraw/zinc/17/20/02/378172002.db2.gz XZERFZDCKCZVTE-MRXNPFEDSA-N 1 2 286.375 2.108 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448723887 378181831 /nfs/dbraw/zinc/18/18/31/378181831.db2.gz CTDLNUMUFPPUHC-CXAGYDPISA-N 1 2 298.390 2.238 20 30 CEEDLO Cc1cc(C#N)nc(NCCc2[nH+]cccc2C)n1 ZINC000295684993 378264197 /nfs/dbraw/zinc/26/41/97/378264197.db2.gz HOMIAIKIBCRPOM-UHFFFAOYSA-N 1 2 253.309 2.015 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000299245461 378941327 /nfs/dbraw/zinc/94/13/27/378941327.db2.gz WPJYSEUVYMNSRO-CVEARBPZSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000299245461 378941335 /nfs/dbraw/zinc/94/13/35/378941335.db2.gz WPJYSEUVYMNSRO-CVEARBPZSA-N 1 2 299.374 2.140 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnccn1 ZINC000514779202 379148779 /nfs/dbraw/zinc/14/87/79/379148779.db2.gz DLRYHZRLHFHYOS-UHFFFAOYSA-N 1 2 273.336 2.140 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnccn1 ZINC000514779202 379148788 /nfs/dbraw/zinc/14/87/88/379148788.db2.gz DLRYHZRLHFHYOS-UHFFFAOYSA-N 1 2 273.336 2.140 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000278789498 194156261 /nfs/dbraw/zinc/15/62/61/194156261.db2.gz WMTWZHITZFRMLG-CYBMUJFWSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000278789498 194156264 /nfs/dbraw/zinc/15/62/64/194156264.db2.gz WMTWZHITZFRMLG-CYBMUJFWSA-N 1 2 298.433 2.019 20 30 CEEDLO N#Cc1nccnc1NCCNc1ccc2ccccc2[nH+]1 ZINC000301196505 379214758 /nfs/dbraw/zinc/21/47/58/379214758.db2.gz UOIFLSARNBKSLX-UHFFFAOYSA-N 1 2 290.330 2.420 20 30 CEEDLO C=CCO[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302185846 379329587 /nfs/dbraw/zinc/32/95/87/379329587.db2.gz UBZSKOLAUWZLDQ-ZDUSSCGKSA-N 1 2 273.380 2.445 20 30 CEEDLO C=CC1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000518452388 379384162 /nfs/dbraw/zinc/38/41/62/379384162.db2.gz JYCLKDHIUUNAHU-UHFFFAOYSA-N 1 2 276.384 2.271 20 30 CEEDLO C=CCCC[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302854115 379464537 /nfs/dbraw/zinc/46/45/37/379464537.db2.gz RASJXNRZLAGEGX-CYBMUJFWSA-N 1 2 276.384 2.470 20 30 CEEDLO C=CCCC[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302854115 379464545 /nfs/dbraw/zinc/46/45/45/379464545.db2.gz RASJXNRZLAGEGX-CYBMUJFWSA-N 1 2 276.384 2.470 20 30 CEEDLO C=CC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302881639 379469414 /nfs/dbraw/zinc/46/94/14/379469414.db2.gz ICQAYCXTVNSOKZ-UHFFFAOYSA-N 1 2 290.436 2.432 20 30 CEEDLO C=CC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302881639 379469418 /nfs/dbraw/zinc/46/94/18/379469418.db2.gz ICQAYCXTVNSOKZ-UHFFFAOYSA-N 1 2 290.436 2.432 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000266963166 190293813 /nfs/dbraw/zinc/29/38/13/190293813.db2.gz XNBCJCKAHVSOPL-OAHLLOKOSA-N 1 2 274.339 2.101 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000266963166 190293814 /nfs/dbraw/zinc/29/38/14/190293814.db2.gz XNBCJCKAHVSOPL-OAHLLOKOSA-N 1 2 274.339 2.101 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000528800105 380102488 /nfs/dbraw/zinc/10/24/88/380102488.db2.gz DRXSQNJAIOWHNT-UHFFFAOYSA-N 1 2 274.368 2.446 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528800105 380102495 /nfs/dbraw/zinc/10/24/95/380102495.db2.gz DRXSQNJAIOWHNT-UHFFFAOYSA-N 1 2 274.368 2.446 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529175552 380169823 /nfs/dbraw/zinc/16/98/23/380169823.db2.gz ZPHOOALKYWJUNH-SMDDNHRTSA-N 1 2 291.782 2.333 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529175552 380169829 /nfs/dbraw/zinc/16/98/29/380169829.db2.gz ZPHOOALKYWJUNH-SMDDNHRTSA-N 1 2 291.782 2.333 20 30 CEEDLO COc1cccc2c1CN(C[NH+]1CCC(C)(C#N)CC1)C2=O ZINC000530096433 380194744 /nfs/dbraw/zinc/19/47/44/380194744.db2.gz RNDUXHLVSKCVCO-UHFFFAOYSA-N 1 2 299.374 2.234 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](CCC#N)C(C)C)o1 ZINC000535796137 380220600 /nfs/dbraw/zinc/22/06/00/380220600.db2.gz WQSVZAVYRLXQRU-UHFFFAOYSA-N 1 2 250.298 2.190 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)C(C)C)o1 ZINC000535796137 380220602 /nfs/dbraw/zinc/22/06/02/380220602.db2.gz WQSVZAVYRLXQRU-UHFFFAOYSA-N 1 2 250.298 2.190 20 30 CEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334355996 380294402 /nfs/dbraw/zinc/29/44/02/380294402.db2.gz LZDMXDQOMFVRKJ-IAQYHMDHSA-N 1 2 275.327 2.319 20 30 CEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334355996 380294408 /nfs/dbraw/zinc/29/44/08/380294408.db2.gz LZDMXDQOMFVRKJ-IAQYHMDHSA-N 1 2 275.327 2.319 20 30 CEEDLO Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)c(C)c[nH+]1 ZINC000551602646 380648677 /nfs/dbraw/zinc/64/86/77/380648677.db2.gz IHNCCFXGQAHANF-UHFFFAOYSA-N 1 2 269.279 2.383 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)CCSC ZINC000493083220 380789987 /nfs/dbraw/zinc/78/99/87/380789987.db2.gz JCUSLGARBLHMHU-VBROQKIQSA-N 1 2 292.408 2.068 20 30 CEEDLO C=C(Br)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495597252 381177529 /nfs/dbraw/zinc/17/75/29/381177529.db2.gz MTUVNGQHJQDJBL-UHFFFAOYSA-N 1 2 291.189 2.058 20 30 CEEDLO N#CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496669355 381223575 /nfs/dbraw/zinc/22/35/75/381223575.db2.gz XIZORIGBZOMDCI-AWEZNQCLSA-N 1 2 279.384 2.423 20 30 CEEDLO N#CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496669355 381223584 /nfs/dbraw/zinc/22/35/84/381223584.db2.gz XIZORIGBZOMDCI-AWEZNQCLSA-N 1 2 279.384 2.423 20 30 CEEDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000280980543 195056550 /nfs/dbraw/zinc/05/65/50/195056550.db2.gz UIVZUBKEGHEROV-GFCCVEGCSA-N 1 2 282.347 2.102 20 30 CEEDLO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ncnn1C ZINC000353194801 533456515 /nfs/dbraw/zinc/45/65/15/533456515.db2.gz SYYIYINDWOJBNW-CYBMUJFWSA-N 1 2 299.378 2.348 20 30 CEEDLO C[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329182818 533636462 /nfs/dbraw/zinc/63/64/62/533636462.db2.gz PFCMAUDVADIRAA-CHWSQXEVSA-N 1 2 276.384 2.406 20 30 CEEDLO O=C(Nc1cc(C2CC2)ccn1)N1CCn2cc[nH+]c2C1 ZINC000329495084 394567551 /nfs/dbraw/zinc/56/75/51/394567551.db2.gz FNLKSXNHHWEJRV-UHFFFAOYSA-N 1 2 283.335 2.217 20 30 CEEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1(CCF)CC1 ZINC000329592920 394575434 /nfs/dbraw/zinc/57/54/34/394575434.db2.gz UMWKYGGPXFRDOY-VIFPVBQESA-N 1 2 251.305 2.363 20 30 CEEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1(CCF)CC1 ZINC000329592920 394575437 /nfs/dbraw/zinc/57/54/37/394575437.db2.gz UMWKYGGPXFRDOY-VIFPVBQESA-N 1 2 251.305 2.363 20 30 CEEDLO O=C(N[C@H]1CCCNC1=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000329907929 394594158 /nfs/dbraw/zinc/59/41/58/394594158.db2.gz UBEHFRKZDMPMHO-UONOGXRCSA-N 1 2 287.363 2.336 20 30 CEEDLO O=C(N[C@H]1CCCNC1=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000329907929 394594160 /nfs/dbraw/zinc/59/41/60/394594160.db2.gz UBEHFRKZDMPMHO-UONOGXRCSA-N 1 2 287.363 2.336 20 30 CEEDLO CC(C)[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329746433 394582827 /nfs/dbraw/zinc/58/28/27/394582827.db2.gz YUMVKVSUWHRAMT-RISCZKNCSA-N 1 2 276.384 2.301 20 30 CEEDLO COc1c(C)cnc(C[NH+]2CCC(C#N)CC2)c1C ZINC000070980182 394587870 /nfs/dbraw/zinc/58/78/70/394587870.db2.gz FEODFUCJCQOZPW-UHFFFAOYSA-N 1 2 259.353 2.443 20 30 CEEDLO Cn1c[nH+]cc1CNc1cc(C(F)(F)F)cnc1C#N ZINC000413312866 394523860 /nfs/dbraw/zinc/52/38/60/394523860.db2.gz QYKGCJXITILILS-UHFFFAOYSA-N 1 2 281.241 2.318 20 30 CEEDLO C=C(CC)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413320191 394525883 /nfs/dbraw/zinc/52/58/83/394525883.db2.gz PETSZOVYHUUSJN-CHWSQXEVSA-N 1 2 276.384 2.062 20 30 CEEDLO C=C(CC)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413320191 394525888 /nfs/dbraw/zinc/52/58/88/394525888.db2.gz PETSZOVYHUUSJN-CHWSQXEVSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000355771714 394526805 /nfs/dbraw/zinc/52/68/05/394526805.db2.gz XSGXYVJEEMRGPZ-GOEBONIOSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000355771714 394526808 /nfs/dbraw/zinc/52/68/08/394526808.db2.gz XSGXYVJEEMRGPZ-GOEBONIOSA-N 1 2 294.439 2.348 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330079187 394598846 /nfs/dbraw/zinc/59/88/46/394598846.db2.gz OBLVWKZWTIFJQP-XJKCOSOUSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330079187 394598847 /nfs/dbraw/zinc/59/88/47/394598847.db2.gz OBLVWKZWTIFJQP-XJKCOSOUSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330099852 394599042 /nfs/dbraw/zinc/59/90/42/394599042.db2.gz DEERWHUXTOLUCE-CZUORRHYSA-N 1 2 296.411 2.155 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330099852 394599047 /nfs/dbraw/zinc/59/90/47/394599047.db2.gz DEERWHUXTOLUCE-CZUORRHYSA-N 1 2 296.411 2.155 20 30 CEEDLO C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330370402 394601646 /nfs/dbraw/zinc/60/16/46/394601646.db2.gz FGEYDVXTROFMHS-YPMHNXCESA-N 1 2 276.384 2.340 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)c[nH+]1 ZINC000330457861 394611344 /nfs/dbraw/zinc/61/13/44/394611344.db2.gz OWMLMJQKKGTXHJ-VXGBXAGGSA-N 1 2 292.383 2.106 20 30 CEEDLO Cc1[nH]c(C(=O)NC2CCC(C(N)=O)CC2)c[nH+]1 ZINC000330450840 394611827 /nfs/dbraw/zinc/61/18/27/394611827.db2.gz JTBGCRFIGCVMOT-UHFFFAOYSA-N 1 2 250.302 2.117 20 30 CEEDLO CCOC(=O)CC[C@H](C)/[NH+]=C/c1cccc(O)c1O ZINC000270521667 394735925 /nfs/dbraw/zinc/73/59/25/394735925.db2.gz SWMIBAYBMJUUGR-CNOAHFENSA-N 1 2 265.309 2.249 20 30 CEEDLO Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1/C(N)=N/O ZINC000097849654 394700470 /nfs/dbraw/zinc/70/04/70/394700470.db2.gz IEJCPNSCHGLRSQ-ZDUSSCGKSA-N 1 2 265.332 2.235 20 30 CEEDLO Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1/C(N)=N/O ZINC000097849654 394700473 /nfs/dbraw/zinc/70/04/73/394700473.db2.gz IEJCPNSCHGLRSQ-ZDUSSCGKSA-N 1 2 265.332 2.235 20 30 CEEDLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000272983070 394780223 /nfs/dbraw/zinc/78/02/23/394780223.db2.gz JOIQTWSKNXCKOR-MNOVXSKESA-N 1 2 286.335 2.499 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CCN(CCOC)CC1 ZINC000120898785 394786668 /nfs/dbraw/zinc/78/66/68/394786668.db2.gz CABMZBXCGLLBNN-UHFFFAOYSA-N 1 2 290.407 2.015 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000360869668 394809478 /nfs/dbraw/zinc/80/94/78/394809478.db2.gz DCIIIFXBYZAWML-CYBMUJFWSA-N 1 2 288.395 2.234 20 30 CEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336263061 394838382 /nfs/dbraw/zinc/83/83/82/394838382.db2.gz PHASJYGVEHIDOX-DZGCQCFKSA-N 1 2 287.338 2.097 20 30 CEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336263061 394838386 /nfs/dbraw/zinc/83/83/86/394838386.db2.gz PHASJYGVEHIDOX-DZGCQCFKSA-N 1 2 287.338 2.097 20 30 CEEDLO O=C(Cc1cn2ccccc2[nH+]1)NCC#Cc1ccccc1 ZINC000338876737 394932302 /nfs/dbraw/zinc/93/23/02/394932302.db2.gz LBGUADJCICRWGY-UHFFFAOYSA-N 1 2 289.338 2.045 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCOCCC#N ZINC000339059565 394939833 /nfs/dbraw/zinc/93/98/33/394939833.db2.gz VKPUPVSVCSUALR-CYBMUJFWSA-N 1 2 282.384 2.113 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCOCCC#N ZINC000339059565 394939837 /nfs/dbraw/zinc/93/98/37/394939837.db2.gz VKPUPVSVCSUALR-CYBMUJFWSA-N 1 2 282.384 2.113 20 30 CEEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366434554 394945492 /nfs/dbraw/zinc/94/54/92/394945492.db2.gz KVOMFVFDOZEQKN-LSDHHAIUSA-N 1 2 256.349 2.461 20 30 CEEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366434554 394945496 /nfs/dbraw/zinc/94/54/96/394945496.db2.gz KVOMFVFDOZEQKN-LSDHHAIUSA-N 1 2 256.349 2.461 20 30 CEEDLO OC[C@@]1(F)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286724098 395027716 /nfs/dbraw/zinc/02/77/16/395027716.db2.gz COIYSTUVOHOXPG-OAHLLOKOSA-N 1 2 281.758 2.488 20 30 CEEDLO OC[C@@]1(F)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286724098 395027722 /nfs/dbraw/zinc/02/77/22/395027722.db2.gz COIYSTUVOHOXPG-OAHLLOKOSA-N 1 2 281.758 2.488 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153363085 395006219 /nfs/dbraw/zinc/00/62/19/395006219.db2.gz RBWQKVFCRNAFTO-BETUJISGSA-N 1 2 264.369 2.093 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153363085 395006223 /nfs/dbraw/zinc/00/62/23/395006223.db2.gz RBWQKVFCRNAFTO-BETUJISGSA-N 1 2 264.369 2.093 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000286461429 395022280 /nfs/dbraw/zinc/02/22/80/395022280.db2.gz KKEZPVYOZFVMMX-VIFPVBQESA-N 1 2 271.666 2.166 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000286461429 395022283 /nfs/dbraw/zinc/02/22/83/395022283.db2.gz KKEZPVYOZFVMMX-VIFPVBQESA-N 1 2 271.666 2.166 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCCCCCCO)ccc1F ZINC000134583981 394958227 /nfs/dbraw/zinc/95/82/27/394958227.db2.gz GEWWEPAYIYKGIX-UHFFFAOYSA-N 1 2 268.332 2.324 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000135075903 394962445 /nfs/dbraw/zinc/96/24/45/394962445.db2.gz NPENWWIBRIGBDX-WFASDCNBSA-N 1 2 295.452 2.224 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000339755987 394969873 /nfs/dbraw/zinc/96/98/73/394969873.db2.gz KQFMRVJPBQCDFV-SECBINFHSA-N 1 2 268.158 2.255 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000339755987 394969875 /nfs/dbraw/zinc/96/98/75/394969875.db2.gz KQFMRVJPBQCDFV-SECBINFHSA-N 1 2 268.158 2.255 20 30 CEEDLO C#CCC(CC#C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000287902012 395047981 /nfs/dbraw/zinc/04/79/81/395047981.db2.gz ZATFBUUMGFRWOK-UHFFFAOYSA-N 1 2 265.316 2.244 20 30 CEEDLO Cc1cc(NC[C@@H](CO)CC2CCCC2)c(C#N)c[nH+]1 ZINC000425264464 395054801 /nfs/dbraw/zinc/05/48/01/395054801.db2.gz WSJMLBKWVYELDF-AWEZNQCLSA-N 1 2 273.380 2.284 20 30 CEEDLO Cc1cc(NCCC[C@@H]2CCCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000425247419 395054938 /nfs/dbraw/zinc/05/49/38/395054938.db2.gz ZOIAZBQPKLWKTE-BBRMVZONSA-N 1 2 273.380 2.427 20 30 CEEDLO Cc1cc(NC[C@@](C)(CO)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425258523 395055162 /nfs/dbraw/zinc/05/51/62/395055162.db2.gz TWMLOGCUTQTYRU-SFHVURJKSA-N 1 2 295.386 2.337 20 30 CEEDLO C#CCOc1ccccc1C[NH+]1CC(n2cc(C)cn2)C1 ZINC000375853896 395101334 /nfs/dbraw/zinc/10/13/34/395101334.db2.gz XREUYBFWSHDKEH-UHFFFAOYSA-N 1 2 281.359 2.260 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000374155998 395075575 /nfs/dbraw/zinc/07/55/75/395075575.db2.gz DOMTWICYNXWZAV-OAHLLOKOSA-N 1 2 293.455 2.018 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000345821827 395079240 /nfs/dbraw/zinc/07/92/40/395079240.db2.gz WKAGVGIQFYPGKB-JTQLQIEISA-N 1 2 278.381 2.227 20 30 CEEDLO C=CCC[N@H+]1CCCC[C@@H]1c1nc(COC)n[nH]1 ZINC000289640612 395082827 /nfs/dbraw/zinc/08/28/27/395082827.db2.gz FPBXQBUQUXMLKU-LLVKDONJSA-N 1 2 250.346 2.054 20 30 CEEDLO C=CCC[N@@H+]1CCCC[C@@H]1c1nc(COC)n[nH]1 ZINC000289640612 395082831 /nfs/dbraw/zinc/08/28/31/395082831.db2.gz FPBXQBUQUXMLKU-LLVKDONJSA-N 1 2 250.346 2.054 20 30 CEEDLO C=CCC[N@H+]1CCCC[C@@H]1c1nnc(COC)[nH]1 ZINC000289640612 395082834 /nfs/dbraw/zinc/08/28/34/395082834.db2.gz FPBXQBUQUXMLKU-LLVKDONJSA-N 1 2 250.346 2.054 20 30 CEEDLO C=CCC[N@@H+]1CCCC[C@@H]1c1nnc(COC)[nH]1 ZINC000289640612 395082835 /nfs/dbraw/zinc/08/28/35/395082835.db2.gz FPBXQBUQUXMLKU-LLVKDONJSA-N 1 2 250.346 2.054 20 30 CEEDLO C=CCCCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000372151879 395036232 /nfs/dbraw/zinc/03/62/32/395036232.db2.gz AJIJLKGNVKDGFP-UHFFFAOYSA-N 1 2 262.357 2.073 20 30 CEEDLO C#CC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000372297869 395038785 /nfs/dbraw/zinc/03/87/85/395038785.db2.gz KUPZVQHRXINDSW-WBVHZDCISA-N 1 2 293.370 2.326 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000174221417 395121133 /nfs/dbraw/zinc/12/11/33/395121133.db2.gz UGRDXHNLAYNMKT-LLVKDONJSA-N 1 2 295.339 2.445 20 30 CEEDLO COc1ccc(CNc2cc(C)[nH+]cc2C#N)c(OC)c1 ZINC000399537531 395246105 /nfs/dbraw/zinc/24/61/05/395246105.db2.gz VGINUYVENSBMRX-UHFFFAOYSA-N 1 2 283.331 2.313 20 30 CEEDLO COCc1ccccc1CNc1cc(C)[nH+]cc1C#N ZINC000399502082 395246700 /nfs/dbraw/zinc/24/67/00/395246700.db2.gz IXXPEMQSQLOGRC-UHFFFAOYSA-N 1 2 267.332 2.442 20 30 CEEDLO COCCCO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000183242800 395254525 /nfs/dbraw/zinc/25/45/25/395254525.db2.gz RXKWAJZYCYIMJM-UHFFFAOYSA-N 1 2 276.258 2.379 20 30 CEEDLO C=CCn1cc(-c2nc(CCc3[nH+]cccc3C)no2)nn1 ZINC000351372862 395211611 /nfs/dbraw/zinc/21/16/11/395211611.db2.gz GZNFSVZXOQXUEA-UHFFFAOYSA-N 1 2 296.334 2.003 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293196137 395223803 /nfs/dbraw/zinc/22/38/03/395223803.db2.gz QMFZNYIXYWMZKU-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293196137 395223809 /nfs/dbraw/zinc/22/38/09/395223809.db2.gz QMFZNYIXYWMZKU-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCNC1=O ZINC000352951454 395281651 /nfs/dbraw/zinc/28/16/51/395281651.db2.gz NRFHFVLZAFFDIT-HNNXBMFYSA-N 1 2 290.411 2.121 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCNC1=O ZINC000352951454 395281656 /nfs/dbraw/zinc/28/16/56/395281656.db2.gz NRFHFVLZAFFDIT-HNNXBMFYSA-N 1 2 290.411 2.121 20 30 CEEDLO C=CCCCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411368456 395327435 /nfs/dbraw/zinc/32/74/35/395327435.db2.gz JHCWGPSPZNOITK-UHFFFAOYSA-N 1 2 289.379 2.418 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000183809754 395263626 /nfs/dbraw/zinc/26/36/26/395263626.db2.gz UDOBIZGBDUTBRR-LBPRGKRZSA-N 1 2 270.336 2.153 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000525948685 395274210 /nfs/dbraw/zinc/27/42/10/395274210.db2.gz RBMNMLWSHFNJPU-ZDUSSCGKSA-N 1 2 283.375 2.173 20 30 CEEDLO C=CCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000411435265 395328910 /nfs/dbraw/zinc/32/89/10/395328910.db2.gz YRDMHMQMAOLGQO-UHFFFAOYSA-N 1 2 287.363 2.122 20 30 CEEDLO COC(=O)C[C@](C)([NH2+]CCC#N)c1cccc(F)c1 ZINC000411726025 395337647 /nfs/dbraw/zinc/33/76/47/395337647.db2.gz IMNNOKACALFNIT-AWEZNQCLSA-N 1 2 264.300 2.107 20 30 CEEDLO N#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC000193256481 395404761 /nfs/dbraw/zinc/40/47/61/395404761.db2.gz URCDAMMOXLEGMG-CYBMUJFWSA-N 1 2 288.738 2.377 20 30 CEEDLO N#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000193256481 395404764 /nfs/dbraw/zinc/40/47/64/395404764.db2.gz URCDAMMOXLEGMG-CYBMUJFWSA-N 1 2 288.738 2.377 20 30 CEEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C#N)oc2C)[nH+]1 ZINC000568069929 395546361 /nfs/dbraw/zinc/54/63/61/395546361.db2.gz UQCVLTUHBQEEIV-UHFFFAOYSA-N 1 2 272.308 2.156 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CC(C)(C)C ZINC000568191723 395550380 /nfs/dbraw/zinc/55/03/80/395550380.db2.gz QQWYLUWPLSECOK-LBPRGKRZSA-N 1 2 276.384 2.377 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CC(C)(C)C ZINC000568191723 395550381 /nfs/dbraw/zinc/55/03/81/395550381.db2.gz QQWYLUWPLSECOK-LBPRGKRZSA-N 1 2 276.384 2.377 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OCC ZINC000449655845 395558962 /nfs/dbraw/zinc/55/89/62/395558962.db2.gz HZJQSFADCHBOLS-WOPDTQHZSA-N 1 2 257.399 2.225 20 30 CEEDLO C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450820071 395578384 /nfs/dbraw/zinc/57/83/84/395578384.db2.gz MZHATIDDCNFNDR-PSASIEDQSA-N 1 2 284.279 2.176 20 30 CEEDLO C[C@@H](CC(=O)N(CCC#N)CC(F)(F)F)n1cc[nH+]c1 ZINC000570573496 395582758 /nfs/dbraw/zinc/58/27/58/395582758.db2.gz PBLCYOSGSLHHJD-JTQLQIEISA-N 1 2 288.273 2.139 20 30 CEEDLO C=CCCCCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000572659845 395587035 /nfs/dbraw/zinc/58/70/35/395587035.db2.gz RAFFCMKRRHKUNC-LBPRGKRZSA-N 1 2 276.384 2.313 20 30 CEEDLO C=CCCCCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000572659845 395587036 /nfs/dbraw/zinc/58/70/36/395587036.db2.gz RAFFCMKRRHKUNC-LBPRGKRZSA-N 1 2 276.384 2.313 20 30 CEEDLO Cc1nn(C)c(C)c1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459608344 395666455 /nfs/dbraw/zinc/66/64/55/395666455.db2.gz HTILTDZHOCXRKX-UHFFFAOYSA-N 1 2 296.374 2.172 20 30 CEEDLO Cc1nc(NC2CCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000487929870 395667619 /nfs/dbraw/zinc/66/76/19/395667619.db2.gz LUNGAURXBHZNEB-UHFFFAOYSA-N 1 2 293.374 2.160 20 30 CEEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000489402616 395668498 /nfs/dbraw/zinc/66/84/98/395668498.db2.gz KOSLWEQKQQQUIT-AWEZNQCLSA-N 1 2 292.404 2.062 20 30 CEEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000489402616 395668499 /nfs/dbraw/zinc/66/84/99/395668499.db2.gz KOSLWEQKQQQUIT-AWEZNQCLSA-N 1 2 292.404 2.062 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000649333541 396122634 /nfs/dbraw/zinc/12/26/34/396122634.db2.gz PGQDGQYZDLKWBQ-STQMWFEESA-N 1 2 297.399 2.172 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000649333541 396122637 /nfs/dbraw/zinc/12/26/37/396122637.db2.gz PGQDGQYZDLKWBQ-STQMWFEESA-N 1 2 297.399 2.172 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000063507357 400242258 /nfs/dbraw/zinc/24/22/58/400242258.db2.gz BTNWENMKVDDKLM-ZBFHGGJFSA-N 1 2 288.395 2.206 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000063507357 400242263 /nfs/dbraw/zinc/24/22/63/400242263.db2.gz BTNWENMKVDDKLM-ZBFHGGJFSA-N 1 2 288.395 2.206 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000292806920 400321703 /nfs/dbraw/zinc/32/17/03/400321703.db2.gz ODWUSNUIWIQYMU-UHFFFAOYSA-N 1 2 255.321 2.469 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000292806920 400321710 /nfs/dbraw/zinc/32/17/10/400321710.db2.gz ODWUSNUIWIQYMU-UHFFFAOYSA-N 1 2 255.321 2.469 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000363489739 286191793 /nfs/dbraw/zinc/19/17/93/286191793.db2.gz WFOVHVULSUHRHA-GJZGRUSLSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000363489739 286191797 /nfs/dbraw/zinc/19/17/97/286191797.db2.gz WFOVHVULSUHRHA-GJZGRUSLSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)cc(OC)c1O ZINC000354041196 286217415 /nfs/dbraw/zinc/21/74/15/286217415.db2.gz RJLCUSSQCXHYFZ-UHFFFAOYSA-N 1 2 278.352 2.391 20 30 CEEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(OC)c1O ZINC000354041196 286217416 /nfs/dbraw/zinc/21/74/16/286217416.db2.gz RJLCUSSQCXHYFZ-UHFFFAOYSA-N 1 2 278.352 2.391 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007735 286270810 /nfs/dbraw/zinc/27/08/10/286270810.db2.gz GRLNXUKNSGKTJH-OAHLLOKOSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090007735 286270811 /nfs/dbraw/zinc/27/08/11/286270811.db2.gz GRLNXUKNSGKTJH-OAHLLOKOSA-N 1 2 272.348 2.178 20 30 CEEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1C#N ZINC000191371843 153167463 /nfs/dbraw/zinc/16/74/63/153167463.db2.gz MWOXGYFAHOIAOY-QGZVFWFLSA-N 1 2 297.358 2.176 20 30 CEEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1C#N ZINC000191371843 153167468 /nfs/dbraw/zinc/16/74/68/153167468.db2.gz MWOXGYFAHOIAOY-QGZVFWFLSA-N 1 2 297.358 2.176 20 30 CEEDLO Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC000223516831 153314739 /nfs/dbraw/zinc/31/47/39/153314739.db2.gz WNKHWGCMVQRVDM-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC000223516831 153314741 /nfs/dbraw/zinc/31/47/41/153314741.db2.gz WNKHWGCMVQRVDM-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO C[C@H]([NH2+]Cc1nccn1C)c1ccc(C#N)cc1F ZINC000358560262 154680624 /nfs/dbraw/zinc/68/06/24/154680624.db2.gz QRQVPQYOVADHKK-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO CCC1(C)C[NH+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000359500149 155033421 /nfs/dbraw/zinc/03/34/21/155033421.db2.gz ASVGAAQOEUDUBE-UHFFFAOYSA-N 1 2 292.404 2.064 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C#N)cc1F)CC2 ZINC000374674158 157002302 /nfs/dbraw/zinc/00/23/02/157002302.db2.gz CCFJDQILIYHKEO-UHFFFAOYSA-N 1 2 270.311 2.218 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375326778 157080786 /nfs/dbraw/zinc/08/07/86/157080786.db2.gz GDOAGXRYZQBPLT-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375326778 157080788 /nfs/dbraw/zinc/08/07/88/157080788.db2.gz GDOAGXRYZQBPLT-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO Cc1[nH]nc2ncc(C[N@H+](C)CC(C)(C)C#N)cc12 ZINC000354039638 533676937 /nfs/dbraw/zinc/67/69/37/533676937.db2.gz NSFKQZDXCJQDCH-UHFFFAOYSA-N 1 2 257.341 2.248 20 30 CEEDLO Cc1[nH]nc2ncc(C[N@@H+](C)CC(C)(C)C#N)cc12 ZINC000354039638 533676928 /nfs/dbraw/zinc/67/69/28/533676928.db2.gz NSFKQZDXCJQDCH-UHFFFAOYSA-N 1 2 257.341 2.248 20 30 CEEDLO C=CCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660289060 414753420 /nfs/dbraw/zinc/75/34/20/414753420.db2.gz JIIQJOIWGVMIGZ-UHFFFAOYSA-N 1 2 284.363 2.307 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2COc3ccc(C)cc32)nn1 ZINC000657400255 414914991 /nfs/dbraw/zinc/91/49/91/414914991.db2.gz HVUKBECUICHPEJ-HNNXBMFYSA-N 1 2 284.363 2.386 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2cccnc2)nn1 ZINC000653593362 415047105 /nfs/dbraw/zinc/04/71/05/415047105.db2.gz ZBQFOCNEDMPTIY-CYBMUJFWSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2cccnc2)nn1 ZINC000653593362 415047109 /nfs/dbraw/zinc/04/71/09/415047109.db2.gz ZBQFOCNEDMPTIY-CYBMUJFWSA-N 1 2 271.368 2.442 20 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DKAQKCZJGQVMLX-ZDUSSCGKSA-N 1 2 259.353 2.440 20 30 CEEDLO C=CCCNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000664226395 415234711 /nfs/dbraw/zinc/23/47/11/415234711.db2.gz HDKLHGANLZQQOW-UHFFFAOYSA-N 1 2 260.345 2.152 20 30 CEEDLO CO[C@@]1(CO)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000661393809 415238858 /nfs/dbraw/zinc/23/88/58/415238858.db2.gz XHTLIMQXAKUAIB-INIZCTEOSA-N 1 2 293.794 2.165 20 30 CEEDLO CO[C@@]1(CO)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000661393809 415238865 /nfs/dbraw/zinc/23/88/65/415238865.db2.gz XHTLIMQXAKUAIB-INIZCTEOSA-N 1 2 293.794 2.165 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCOCC2)[nH+]cn1 ZINC000664571766 415406491 /nfs/dbraw/zinc/40/64/91/415406491.db2.gz IOZFDBSYOUJWAD-OKILXGFUSA-N 1 2 286.379 2.001 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCOCC2)nc[nH+]1 ZINC000664571766 415406496 /nfs/dbraw/zinc/40/64/96/415406496.db2.gz IOZFDBSYOUJWAD-OKILXGFUSA-N 1 2 286.379 2.001 20 30 CEEDLO C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000658978674 415377896 /nfs/dbraw/zinc/37/78/96/415377896.db2.gz SQGCWVWOZGSYBA-UHFFFAOYSA-N 1 2 289.379 2.498 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1CC1 ZINC000655797936 415476787 /nfs/dbraw/zinc/47/67/87/415476787.db2.gz SDVRAZBHEINPIB-STQMWFEESA-N 1 2 276.384 2.491 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000655966868 415566605 /nfs/dbraw/zinc/56/66/05/415566605.db2.gz ZPQOEIMLLBCNKF-UHFFFAOYSA-N 1 2 276.384 2.319 20 30 CEEDLO C=CCCC(C)(C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000665107968 415588393 /nfs/dbraw/zinc/58/83/93/415588393.db2.gz COAZURSZWOASCX-UHFFFAOYSA-N 1 2 264.373 2.007 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000077250760 177239411 /nfs/dbraw/zinc/23/94/11/177239411.db2.gz JBCQWNMWUKAMJV-CHWSQXEVSA-N 1 2 290.363 2.055 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000077250760 177239412 /nfs/dbraw/zinc/23/94/12/177239412.db2.gz JBCQWNMWUKAMJV-CHWSQXEVSA-N 1 2 290.363 2.055 20 30 CEEDLO CC[C@@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1OC 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N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000332167618 228151089 /nfs/dbraw/zinc/15/10/89/228151089.db2.gz KHYMWTNRHQZQBO-SWLSCSKDSA-N 1 2 267.336 2.049 20 30 CEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000332424933 228158663 /nfs/dbraw/zinc/15/86/63/228158663.db2.gz TUVDAGSJTBAHNM-UHFFFAOYSA-N 1 2 298.390 2.123 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000336239546 228219251 /nfs/dbraw/zinc/21/92/51/228219251.db2.gz YGASPVATFRCZCW-YMTOWFKASA-N 1 2 288.738 2.154 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000336239545 228219265 /nfs/dbraw/zinc/21/92/65/228219265.db2.gz YGASPVATFRCZCW-XPTSAGLGSA-N 1 2 288.738 2.154 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667547589 419705391 /nfs/dbraw/zinc/70/53/91/419705391.db2.gz QOJLJLCVKHKQNW-VIFPVBQESA-N 1 2 287.285 2.092 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667547589 419705398 /nfs/dbraw/zinc/70/53/98/419705398.db2.gz QOJLJLCVKHKQNW-VIFPVBQESA-N 1 2 287.285 2.092 20 30 CEEDLO C=CCCCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298512681 260155724 /nfs/dbraw/zinc/15/57/24/260155724.db2.gz BHAHASNYCJIMEG-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO C=CCCCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298512681 260155725 /nfs/dbraw/zinc/15/57/25/260155725.db2.gz BHAHASNYCJIMEG-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000298550664 260156726 /nfs/dbraw/zinc/15/67/26/260156726.db2.gz ODJAHUXUAIDEPX-LSDHHAIUSA-N 1 2 272.392 2.425 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000298550664 260156728 /nfs/dbraw/zinc/15/67/28/260156728.db2.gz ODJAHUXUAIDEPX-LSDHHAIUSA-N 1 2 272.392 2.425 20 30 CEEDLO Cc1c[nH+]c(C)nc1NCc1ccc(CC#N)cc1 ZINC000518217308 260358128 /nfs/dbraw/zinc/35/81/28/260358128.db2.gz PGDOVWMGCRIYDQ-UHFFFAOYSA-N 1 2 252.321 2.194 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@H](C#N)CCC#N)ccc1O ZINC000152965879 261072265 /nfs/dbraw/zinc/07/22/65/261072265.db2.gz JDQISICUTDJREQ-ZDUSSCGKSA-N 1 2 273.336 2.276 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@H](C#N)CCC#N)ccc1O ZINC000152965879 261072266 /nfs/dbraw/zinc/07/22/66/261072266.db2.gz JDQISICUTDJREQ-ZDUSSCGKSA-N 1 2 273.336 2.276 20 30 CEEDLO C[C@H](CNC(=O)C1(C#N)CCCCC1)Cn1cc[nH+]c1 ZINC000153423200 261078386 /nfs/dbraw/zinc/07/83/86/261078386.db2.gz RIXGQWCYELFZRC-CYBMUJFWSA-N 1 2 274.368 2.109 20 30 CEEDLO N#C[C@@H]1[N@H+](CC[C@@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000448283061 261087204 /nfs/dbraw/zinc/08/72/04/261087204.db2.gz WWJRKJLMVTXJHG-PMPSAXMXSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@@H]1[N@@H+](CC[C@@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000448283061 261087205 /nfs/dbraw/zinc/08/72/05/261087205.db2.gz WWJRKJLMVTXJHG-PMPSAXMXSA-N 1 2 278.396 2.340 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cc(OC)c(OC)cc1OC ZINC000490900832 261241960 /nfs/dbraw/zinc/24/19/60/261241960.db2.gz YLINWSFPYJRNHJ-UHFFFAOYSA-N 1 2 287.359 2.171 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cc(OC)c(OC)cc1OC ZINC000490900832 261241962 /nfs/dbraw/zinc/24/19/62/261241962.db2.gz YLINWSFPYJRNHJ-UHFFFAOYSA-N 1 2 287.359 2.171 20 30 CEEDLO C#CCN(C(=O)Nc1cc[nH+]cc1C)C1CCCC1 ZINC000491230671 261380881 /nfs/dbraw/zinc/38/08/81/261380881.db2.gz NXOROPBYZVGLAI-UHFFFAOYSA-N 1 2 257.337 2.222 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCCOC(C)C)cc1F ZINC000181589828 261904104 /nfs/dbraw/zinc/90/41/04/261904104.db2.gz BIJKSEOXKOKZNW-UHFFFAOYSA-N 1 2 254.305 2.196 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(OCCC(N)=O)cc2)C1 ZINC000193084563 262216211 /nfs/dbraw/zinc/21/62/11/262216211.db2.gz UCJNVIOLZHTFJF-TZMCWYRMSA-N 1 2 287.363 2.435 20 30 CEEDLO Cc1ncccc1O[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000365227997 262352738 /nfs/dbraw/zinc/35/27/38/262352738.db2.gz MDTYVVVDUPFHGB-CABCVRRESA-N 1 2 284.363 2.287 20 30 CEEDLO Cc1ncccc1O[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000365227997 262352739 /nfs/dbraw/zinc/35/27/39/262352739.db2.gz MDTYVVVDUPFHGB-CABCVRRESA-N 1 2 284.363 2.287 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CCC#N)C1 ZINC000365458101 262366014 /nfs/dbraw/zinc/36/60/14/262366014.db2.gz DPQSDLBEHGKVMD-OAHLLOKOSA-N 1 2 279.384 2.375 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CCC#N)C1 ZINC000365458101 262366015 /nfs/dbraw/zinc/36/60/15/262366015.db2.gz DPQSDLBEHGKVMD-OAHLLOKOSA-N 1 2 279.384 2.375 20 30 CEEDLO COCC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccco1 ZINC000272537929 263006098 /nfs/dbraw/zinc/00/60/98/263006098.db2.gz ZUFWEOQBBNUVGO-STQMWFEESA-N 1 2 261.325 2.390 20 30 CEEDLO C[N@H+](CCC#N)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279619862 263056439 /nfs/dbraw/zinc/05/64/39/263056439.db2.gz JXIIKTCJGZYPCM-UHFFFAOYSA-N 1 2 275.743 2.266 20 30 CEEDLO C[N@@H+](CCC#N)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279619862 263056440 /nfs/dbraw/zinc/05/64/40/263056440.db2.gz JXIIKTCJGZYPCM-UHFFFAOYSA-N 1 2 275.743 2.266 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000281855911 263072360 /nfs/dbraw/zinc/07/23/60/263072360.db2.gz QJRWULKGJMHRAO-SWWCYHQKSA-N 1 2 261.321 2.498 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283410527 263082788 /nfs/dbraw/zinc/08/27/88/263082788.db2.gz VSHLSYPLYILUTO-UHFFFAOYSA-N 1 2 290.323 2.159 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283410527 263082789 /nfs/dbraw/zinc/08/27/89/263082789.db2.gz VSHLSYPLYILUTO-UHFFFAOYSA-N 1 2 290.323 2.159 20 30 CEEDLO Cc1ccc(F)cc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284486805 263087025 /nfs/dbraw/zinc/08/70/25/263087025.db2.gz SDEKKBSGQFCALS-LBPRGKRZSA-N 1 2 252.289 2.102 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCOC[C@@H]2C)c1 ZINC000285234655 263091307 /nfs/dbraw/zinc/09/13/07/263091307.db2.gz GBVZULOULRYKRF-JOUPJPQCSA-N 1 2 263.337 2.492 20 30 CEEDLO N#CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285354663 263092360 /nfs/dbraw/zinc/09/23/60/263092360.db2.gz AYMUGLXKGQDOBK-UHFFFAOYSA-N 1 2 273.311 2.454 20 30 CEEDLO C=C(C)COCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340306002 263108036 /nfs/dbraw/zinc/10/80/36/263108036.db2.gz 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/nfs/dbraw/zinc/28/01/54/534280154.db2.gz YOWSVVGFMSKXTP-AAEUAGOBSA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@H]([NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000330201918 534280156 /nfs/dbraw/zinc/28/01/56/534280156.db2.gz YOWSVVGFMSKXTP-AAEUAGOBSA-N 1 2 276.384 2.280 20 30 CEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCc2cncnc2C1 ZINC000329237319 534386443 /nfs/dbraw/zinc/38/64/43/534386443.db2.gz KDPAHUHCTFFGIS-UHFFFAOYSA-N 1 2 283.335 2.092 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCC ZINC000352804728 526561623 /nfs/dbraw/zinc/56/16/23/526561623.db2.gz QIDJWKUTMQRDLZ-ZDUSSCGKSA-N 1 2 294.395 2.065 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCCC ZINC000352804728 526561629 /nfs/dbraw/zinc/56/16/29/526561629.db2.gz QIDJWKUTMQRDLZ-ZDUSSCGKSA-N 1 2 294.395 2.065 20 30 CEEDLO C=CCOCC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000354829348 526723836 /nfs/dbraw/zinc/72/38/36/526723836.db2.gz IWEUPTNVKOAQAP-UHFFFAOYSA-N 1 2 285.347 2.442 20 30 CEEDLO CC(C)(C#N)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000353341436 527455575 /nfs/dbraw/zinc/45/55/75/527455575.db2.gz VXCIWAFJDQNFHI-UHFFFAOYSA-N 1 2 274.368 2.330 20 30 CEEDLO Cc1ncsc1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766996 527499897 /nfs/dbraw/zinc/49/98/97/527499897.db2.gz IEZKIIYQXVLWGY-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO Cc1ncsc1C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068766996 527499902 /nfs/dbraw/zinc/49/99/02/527499902.db2.gz IEZKIIYQXVLWGY-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO CC(C)C1(CNC(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332155157 527603726 /nfs/dbraw/zinc/60/37/26/527603726.db2.gz JMCHVOVVMXRZLP-UHFFFAOYSA-N 1 2 292.427 2.052 20 30 CEEDLO CC(C)CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330279762 527887782 /nfs/dbraw/zinc/88/77/82/527887782.db2.gz RNLALFWDPQQPNR-GFCCVEGCSA-N 1 2 276.384 2.232 20 30 CEEDLO CC(C)CN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330279762 527887787 /nfs/dbraw/zinc/88/77/87/527887787.db2.gz RNLALFWDPQQPNR-GFCCVEGCSA-N 1 2 276.384 2.232 20 30 CEEDLO CC1=C(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330245402 528083997 /nfs/dbraw/zinc/08/39/97/528083997.db2.gz DRWSVWBHOAPMRE-ZDUSSCGKSA-N 1 2 274.368 2.154 20 30 CEEDLO CC1=C(C)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330245402 528083999 /nfs/dbraw/zinc/08/39/99/528083999.db2.gz DRWSVWBHOAPMRE-ZDUSSCGKSA-N 1 2 274.368 2.154 20 30 CEEDLO CCCCCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000726985780 574442705 /nfs/dbraw/zinc/44/27/05/574442705.db2.gz QCUKVJAMCQQXLY-HNNXBMFYSA-N 1 2 283.460 2.099 20 30 CEEDLO C#Cc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cn1 ZINC000728857341 574472362 /nfs/dbraw/zinc/47/23/62/574472362.db2.gz FMIOMXZMRNZDSH-UHFFFAOYSA-N 1 2 276.299 2.500 20 30 CEEDLO C#Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cn1 ZINC000728857341 574472363 /nfs/dbraw/zinc/47/23/63/574472363.db2.gz FMIOMXZMRNZDSH-UHFFFAOYSA-N 1 2 276.299 2.500 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000730097761 574501446 /nfs/dbraw/zinc/50/14/46/574501446.db2.gz JQMZKKSFYACZJJ-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000730097761 574501447 /nfs/dbraw/zinc/50/14/47/574501447.db2.gz JQMZKKSFYACZJJ-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000730277678 574513209 /nfs/dbraw/zinc/51/32/09/574513209.db2.gz VPZXLAQTFPLSNL-FZMZJTMJSA-N 1 2 292.329 2.240 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000730277678 574513210 /nfs/dbraw/zinc/51/32/10/574513210.db2.gz VPZXLAQTFPLSNL-FZMZJTMJSA-N 1 2 292.329 2.240 20 30 CEEDLO O=[N+]([O-])c1ccc(N=NCc2[nH]cc[nH+]2)c(Cl)c1 ZINC000731153615 574590195 /nfs/dbraw/zinc/59/01/95/574590195.db2.gz VESIEYVOFIPVGH-UHFFFAOYSA-N 1 2 265.660 2.417 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]Nc2cccnn2)c(O)c1 ZINC000735976792 574773214 /nfs/dbraw/zinc/77/32/14/574773214.db2.gz MVNFQXFIFWSASL-UHFFFAOYSA-N 1 2 285.351 2.474 20 30 CEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC1CC1 ZINC000739904350 574936011 /nfs/dbraw/zinc/93/60/11/574936011.db2.gz RHMFJAPFOCJLAO-CQSZACIVSA-N 1 2 258.321 2.114 20 30 CEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC1CC1 ZINC000739904350 574936012 /nfs/dbraw/zinc/93/60/12/574936012.db2.gz RHMFJAPFOCJLAO-CQSZACIVSA-N 1 2 258.321 2.114 20 30 CEEDLO COCc1nc(CO[NH+]=C(N)c2ccc(F)cc2)cs1 ZINC000742353018 575015714 /nfs/dbraw/zinc/01/57/14/575015714.db2.gz KSVKPNYRORHJOB-UHFFFAOYSA-N 1 2 295.339 2.266 20 30 CEEDLO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)CC#N)C2=O)cc1 ZINC000743483083 575105235 /nfs/dbraw/zinc/10/52/35/575105235.db2.gz SANDUAXUDDYXOG-UKRRQHHQSA-N 1 2 271.364 2.382 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000743854765 575111454 /nfs/dbraw/zinc/11/14/54/575111454.db2.gz LTTHWFKOMSTNGO-DLBZAZTESA-N 1 2 286.419 2.126 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000743854765 575111455 /nfs/dbraw/zinc/11/14/55/575111455.db2.gz LTTHWFKOMSTNGO-DLBZAZTESA-N 1 2 286.419 2.126 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(C)OC)Cc1ccc(Cl)s1 ZINC000746493953 575157105 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C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000823506187 605498595 /nfs/dbraw/zinc/49/85/95/605498595.db2.gz CNHUGBTZPDKRFT-ZFWWWQNUSA-N 1 2 295.427 2.147 20 30 CEEDLO C=C(C)CN(C)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000823877797 609318115 /nfs/dbraw/zinc/31/81/15/609318115.db2.gz FRKCBXNDICUJIY-UHFFFAOYSA-N 1 2 280.335 2.427 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)cc2)C1 ZINC000957316245 612992111 /nfs/dbraw/zinc/99/21/11/612992111.db2.gz GIZCAIXDEVMKMI-UHFFFAOYSA-N 1 2 270.376 2.165 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000950340917 613296014 /nfs/dbraw/zinc/29/60/14/613296014.db2.gz RWTHOGMNCVFXEY-HOTGVXAUSA-N 1 2 294.439 2.156 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC000950410902 613296024 /nfs/dbraw/zinc/29/60/24/613296024.db2.gz XJLIKZIZIKVXAT-UHFFFAOYSA-N 1 2 287.407 2.366 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnccc2C)C1 ZINC000949833483 613297547 /nfs/dbraw/zinc/29/75/47/613297547.db2.gz OAZRHRWFSOVHMI-UHFFFAOYSA-N 1 2 273.380 2.112 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C(C)C)CC2)CC1 ZINC000950373369 613315469 /nfs/dbraw/zinc/31/54/69/613315469.db2.gz VNLCNWKWHLPRHO-UHFFFAOYSA-N 1 2 250.386 2.143 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2C=CC=CC=C2)C1 ZINC000969763549 613371434 /nfs/dbraw/zinc/37/14/34/613371434.db2.gz MRPHRQMUVKVBQR-CYBMUJFWSA-N 1 2 292.810 2.474 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CCCC2)C1 ZINC000969192385 613371672 /nfs/dbraw/zinc/37/16/72/613371672.db2.gz KIFWGUYYTOSCOC-LLVKDONJSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2ccoc2)CC1 ZINC000980941690 613373421 /nfs/dbraw/zinc/37/34/21/613373421.db2.gz FAYFQFHIHVOMML-UHFFFAOYSA-N 1 2 296.798 2.499 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2ccoc2)CC1 ZINC000980941690 613373422 /nfs/dbraw/zinc/37/34/22/613373422.db2.gz FAYFQFHIHVOMML-UHFFFAOYSA-N 1 2 296.798 2.499 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2CC2)CC1 ZINC000980604512 613373489 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/nfs/dbraw/zinc/64/21/90/633642190.db2.gz IBQNMQPFZQMLCI-ZDUSSCGKSA-N 1 2 293.440 2.465 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C3CCCC3)C2)c1=S ZINC000817368414 633642194 /nfs/dbraw/zinc/64/21/94/633642194.db2.gz IBQNMQPFZQMLCI-ZDUSSCGKSA-N 1 2 293.440 2.465 20 30 CEEDLO COc1ccc(CN[C@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000817916344 633775069 /nfs/dbraw/zinc/77/50/69/633775069.db2.gz WXHLWIMYYWIWTF-LLVKDONJSA-N 1 2 282.347 2.225 20 30 CEEDLO COc1ccc(C[NH2+][C@H](C)c2cnccc2N)cc1C#N ZINC000817916344 633775077 /nfs/dbraw/zinc/77/50/77/633775077.db2.gz WXHLWIMYYWIWTF-LLVKDONJSA-N 1 2 282.347 2.225 20 30 CEEDLO COC(=O)c1ccoc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000818286172 633898951 /nfs/dbraw/zinc/89/89/51/633898951.db2.gz JCELUKSEPADKGW-UHFFFAOYSA-N 1 2 292.266 2.042 20 30 CEEDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000818343936 633913560 /nfs/dbraw/zinc/91/35/60/633913560.db2.gz FUWXIYBDCDPVGA-JTQLQIEISA-N 1 2 287.342 2.468 20 30 CEEDLO Cn1nccc1N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000901223270 634011510 /nfs/dbraw/zinc/01/15/10/634011510.db2.gz CGHSLQBMRRQLPN-UHFFFAOYSA-N 1 2 273.340 2.449 20 30 CEEDLO C(=[NH+]n1nnc2c1CCCC2)C1CCSCC1 ZINC000901328735 634045448 /nfs/dbraw/zinc/04/54/48/634045448.db2.gz NEHZWLBSFDZTBL-UHFFFAOYSA-N 1 2 250.371 2.134 20 30 CEEDLO CC(C)n1c[nH+]cc1CN=Nc1ccc(Cl)nn1 ZINC000819801930 634267205 /nfs/dbraw/zinc/26/72/05/634267205.db2.gz VSXCCJCJXOCSAZ-UHFFFAOYSA-N 1 2 264.720 2.353 20 30 CEEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820271823 634367673 /nfs/dbraw/zinc/36/76/73/634367673.db2.gz VFHJNMCRBUHQJY-VXGBXAGGSA-N 1 2 299.305 2.303 20 30 CEEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820271823 634367675 /nfs/dbraw/zinc/36/76/75/634367675.db2.gz VFHJNMCRBUHQJY-VXGBXAGGSA-N 1 2 299.305 2.303 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@](C)(O)c1ccccc1 ZINC000822520566 634935695 /nfs/dbraw/zinc/93/56/95/634935695.db2.gz GUKAIKDZVUOAHY-HNNXBMFYSA-N 1 2 287.388 2.354 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@](C)(O)c1ccccc1 ZINC000822520566 634935700 /nfs/dbraw/zinc/93/57/00/634935700.db2.gz GUKAIKDZVUOAHY-HNNXBMFYSA-N 1 2 287.388 2.354 20 30 CEEDLO CCc1ncc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)o1 ZINC000903011843 634938422 /nfs/dbraw/zinc/93/84/22/634938422.db2.gz KIGMYHZCOMNGLW-JTQLQIEISA-N 1 2 256.309 2.354 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822871556 635017004 /nfs/dbraw/zinc/01/70/04/635017004.db2.gz MTTCPXWJOHEWNP-ARFHVFGLSA-N 1 2 293.370 2.264 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822871556 635017011 /nfs/dbraw/zinc/01/70/11/635017011.db2.gz MTTCPXWJOHEWNP-ARFHVFGLSA-N 1 2 293.370 2.264 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(SC)oc2C)CC1 ZINC000825077555 635561054 /nfs/dbraw/zinc/56/10/54/635561054.db2.gz AJOHVIRRDBPZAH-UHFFFAOYSA-N 1 2 292.404 2.091 20 30 CEEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000825080930 635561495 /nfs/dbraw/zinc/56/14/95/635561495.db2.gz YHMTWASMYOYVFB-LSDHHAIUSA-N 1 2 291.395 2.015 20 30 CEEDLO C#CC[C@H](CCOC)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000825080925 635562086 /nfs/dbraw/zinc/56/20/86/635562086.db2.gz YHMTWASMYOYVFB-CABCVRRESA-N 1 2 291.395 2.015 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1ccccc1O)C(=O)OCC ZINC000825118384 635572084 /nfs/dbraw/zinc/57/20/84/635572084.db2.gz SEUMGRRCOLHHJE-CYBMUJFWSA-N 1 2 263.337 2.380 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CC[C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000905002399 635773011 /nfs/dbraw/zinc/77/30/11/635773011.db2.gz NVIWCWDQXFWLAC-NJPLLEPOSA-N 1 2 290.363 2.078 20 30 CEEDLO C#C[C@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826535400 635777508 /nfs/dbraw/zinc/77/75/08/635777508.db2.gz VXKNEUDMIWHBKY-AWEZNQCLSA-N 1 2 266.348 2.113 20 30 CEEDLO COc1c(O)c(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1[N+](=O)[O-] ZINC000827650375 636374684 /nfs/dbraw/zinc/37/46/84/636374684.db2.gz PUZVFQBCTWWGAU-AWEZNQCLSA-N 1 2 291.307 2.045 20 30 CEEDLO COc1c(O)c(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1[N+](=O)[O-] ZINC000827650375 636374688 /nfs/dbraw/zinc/37/46/88/636374688.db2.gz PUZVFQBCTWWGAU-AWEZNQCLSA-N 1 2 291.307 2.045 20 30 CEEDLO COC(=O)/C=C\c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000827650871 636376096 /nfs/dbraw/zinc/37/60/96/636376096.db2.gz WPSKLMAYMFVGKY-IYKSTZQJSA-N 1 2 274.320 2.201 20 30 CEEDLO COC(=O)/C=C\c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000827650871 636376101 /nfs/dbraw/zinc/37/61/01/636376101.db2.gz WPSKLMAYMFVGKY-IYKSTZQJSA-N 1 2 274.320 2.201 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2cnccc21 ZINC000905741954 636428285 /nfs/dbraw/zinc/42/82/85/636428285.db2.gz PLYBRWAUERCJTN-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2cnccc21 ZINC000905741954 636428294 /nfs/dbraw/zinc/42/82/94/636428294.db2.gz PLYBRWAUERCJTN-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C=CC[C@H]([NH2+]CC1(OC)CCC(C)CC1)C(=O)OC ZINC000905762008 636448508 /nfs/dbraw/zinc/44/85/08/636448508.db2.gz FUBLQJLPNPFTSN-OWYJLGKBSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CC[C@@H]([NH2+]C[C@@H](SC)C(C)(C)C)C(=O)OC ZINC000905762910 636449000 /nfs/dbraw/zinc/44/90/00/636449000.db2.gz OXNMDEVXBBCHFI-GHMZBOCLSA-N 1 2 259.415 2.471 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1ccc(F)cc1C)C(=O)OC ZINC000905767022 636453108 /nfs/dbraw/zinc/45/31/08/636453108.db2.gz LLMYTSBDIJCQFO-CQSZACIVSA-N 1 2 265.328 2.384 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1cccc(OCC)c1)C(=O)OC ZINC000905768963 636455227 /nfs/dbraw/zinc/45/52/27/636455227.db2.gz YGVMIHKEXFWUEU-HNNXBMFYSA-N 1 2 277.364 2.335 20 30 CEEDLO C#CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccnc2)C1 ZINC000829805586 636934410 /nfs/dbraw/zinc/93/44/10/636934410.db2.gz VJBLFXNRXZHISN-HIFRSBDPSA-N 1 2 272.348 2.031 20 30 CEEDLO C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccnc2)C1 ZINC000829805586 636934413 /nfs/dbraw/zinc/93/44/13/636934413.db2.gz VJBLFXNRXZHISN-HIFRSBDPSA-N 1 2 272.348 2.031 20 30 CEEDLO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000876902458 650479695 /nfs/dbraw/zinc/47/96/95/650479695.db2.gz CRBBLSPNOGQNPF-LURJTMIESA-N 1 2 278.690 2.064 20 30 CEEDLO CCCCCCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913473025 639289195 /nfs/dbraw/zinc/28/91/95/639289195.db2.gz KKXWHEWFSLMNQU-OAHLLOKOSA-N 1 2 292.427 2.254 20 30 CEEDLO C#CC[N@@H+](CCCCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000157915924 639549668 /nfs/dbraw/zinc/54/96/68/639549668.db2.gz DEZTYDUTTSRDJJ-HNNXBMFYSA-N 1 2 285.453 2.469 20 30 CEEDLO C#CC[N@H+](CCCCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000157915924 639549672 /nfs/dbraw/zinc/54/96/72/639549672.db2.gz DEZTYDUTTSRDJJ-HNNXBMFYSA-N 1 2 285.453 2.469 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955060 639600187 /nfs/dbraw/zinc/60/01/87/639600187.db2.gz PWTLYIGZZSOCDW-IUODEOHRSA-N 1 2 278.327 2.148 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955060 639600194 /nfs/dbraw/zinc/60/01/94/639600194.db2.gz PWTLYIGZZSOCDW-IUODEOHRSA-N 1 2 278.327 2.148 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCCN2CCCC2=O)c1O ZINC000060802514 639652737 /nfs/dbraw/zinc/65/27/37/639652737.db2.gz OJZJHOVKOIFDEM-SFQUDFHCSA-N 1 2 290.363 2.222 20 30 CEEDLO Cc1cccc2c1CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000171608810 639724117 /nfs/dbraw/zinc/72/41/17/639724117.db2.gz JKNCVLPHTVPIQH-SFHVURJKSA-N 1 2 297.402 2.162 20 30 CEEDLO Cc1cccc2c1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000171608810 639724119 /nfs/dbraw/zinc/72/41/19/639724119.db2.gz JKNCVLPHTVPIQH-SFHVURJKSA-N 1 2 297.402 2.162 20 30 CEEDLO C[C@H](C(=O)OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000172401892 639762573 /nfs/dbraw/zinc/76/25/73/639762573.db2.gz HUZGFEBZVBULFM-CYBMUJFWSA-N 1 2 272.348 2.280 20 30 CEEDLO C[C@H](C(=O)OCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000172401892 639762579 /nfs/dbraw/zinc/76/25/79/639762579.db2.gz HUZGFEBZVBULFM-CYBMUJFWSA-N 1 2 272.348 2.280 20 30 CEEDLO COc1cc(C#N)ccc1OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000929495673 639955109 /nfs/dbraw/zinc/95/51/09/639955109.db2.gz HFTLUQZPXKPWSK-CYBMUJFWSA-N 1 2 288.347 2.345 20 30 CEEDLO COc1cc(C#N)ccc1OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000929495673 639955111 /nfs/dbraw/zinc/95/51/11/639955111.db2.gz HFTLUQZPXKPWSK-CYBMUJFWSA-N 1 2 288.347 2.345 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2n(n1)CCCC2 ZINC000842868776 640209958 /nfs/dbraw/zinc/20/99/58/640209958.db2.gz QSCGRDRQLDYNAF-LBPRGKRZSA-N 1 2 281.363 2.337 20 30 CEEDLO N#Cc1csc(C(=O)OCC2CN(c3cccc[nH+]3)C2)c1 ZINC000842888808 640212734 /nfs/dbraw/zinc/21/27/34/640212734.db2.gz RNCCMEJFKYEYRX-UHFFFAOYSA-N 1 2 299.355 2.308 20 30 CEEDLO C#CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000914420307 640351946 /nfs/dbraw/zinc/35/19/46/640351946.db2.gz MKDUVDCKACJWPN-UHFFFAOYSA-N 1 2 296.374 2.426 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC000992924245 640370789 /nfs/dbraw/zinc/37/07/89/640370789.db2.gz LUZBBQMAOVXHRK-BZNIZROVSA-N 1 2 289.354 2.186 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC000992924245 640370793 /nfs/dbraw/zinc/37/07/93/640370793.db2.gz LUZBBQMAOVXHRK-BZNIZROVSA-N 1 2 289.354 2.186 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccncc2)[C@@H]1C ZINC000992948396 640378591 /nfs/dbraw/zinc/37/85/91/640378591.db2.gz HWAJTDNMRVOKLM-GXTWGEPZSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2)[C@@H]1C ZINC000992948396 640378594 /nfs/dbraw/zinc/37/85/94/640378594.db2.gz HWAJTDNMRVOKLM-GXTWGEPZSA-N 1 2 293.798 2.417 20 30 CEEDLO C(=NOC[C@@H]1CCOC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000788032354 640481255 /nfs/dbraw/zinc/48/12/55/640481255.db2.gz SEBJYDGBWPZWPA-LLVKDONJSA-N 1 2 277.349 2.321 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001007153472 640644752 /nfs/dbraw/zinc/64/47/52/640644752.db2.gz UYLHJPAUMSKTIY-ZDUSSCGKSA-N 1 2 296.798 2.464 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001007153472 640644754 /nfs/dbraw/zinc/64/47/54/640644754.db2.gz UYLHJPAUMSKTIY-ZDUSSCGKSA-N 1 2 296.798 2.464 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H]1C ZINC000993967190 640688473 /nfs/dbraw/zinc/68/84/73/640688473.db2.gz YYIVICLHWGKHLO-VXGBXAGGSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)c[nH]2)[C@H]1C ZINC000993967190 640688475 /nfs/dbraw/zinc/68/84/75/640688475.db2.gz YYIVICLHWGKHLO-VXGBXAGGSA-N 1 2 296.802 2.053 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451087 640731631 /nfs/dbraw/zinc/73/16/31/640731631.db2.gz CSKZMPSOECSTQH-TVYUQYBPSA-N 1 2 291.301 2.082 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451087 640731633 /nfs/dbraw/zinc/73/16/33/640731633.db2.gz CSKZMPSOECSTQH-TVYUQYBPSA-N 1 2 291.301 2.082 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)c2ccc(OC)cc2C1=O)C(C)C ZINC000844689237 640807784 /nfs/dbraw/zinc/80/77/84/640807784.db2.gz KTUAGJBLBJMYJW-UHFFFAOYSA-N 1 2 288.347 2.145 20 30 CEEDLO C=CC[N@H+](CN1C(=O)c2ccc(OC)cc2C1=O)C(C)C ZINC000844689237 640807791 /nfs/dbraw/zinc/80/77/91/640807791.db2.gz KTUAGJBLBJMYJW-UHFFFAOYSA-N 1 2 288.347 2.145 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)CC12CCCC2 ZINC000844687025 640807873 /nfs/dbraw/zinc/80/78/73/640807873.db2.gz XGMGBAATJNYIIB-UHFFFAOYSA-N 1 2 283.375 2.493 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)CC12CCCC2 ZINC000844687025 640807877 /nfs/dbraw/zinc/80/78/77/640807877.db2.gz XGMGBAATJNYIIB-UHFFFAOYSA-N 1 2 283.375 2.493 20 30 CEEDLO Cc1cc(=O)[nH]c(NN=Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000917023353 640838892 /nfs/dbraw/zinc/83/88/92/640838892.db2.gz ZBLIIHUUERPPOQ-UHFFFAOYSA-N 1 2 294.318 2.122 20 30 CEEDLO CCC1N=NC(=S)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917031602 640840597 /nfs/dbraw/zinc/84/05/97/640840597.db2.gz ZPVVVTQFJXWBIQ-UHFFFAOYSA-N 1 2 298.375 2.197 20 30 CEEDLO C[C@@H](CC(=O)OCCOc1ccccc1C#N)n1cc[nH+]c1 ZINC000845281953 640944073 /nfs/dbraw/zinc/94/40/73/640944073.db2.gz OPSKHXPTNSPAME-ZDUSSCGKSA-N 1 2 299.330 2.328 20 30 CEEDLO CC#CCCCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845518295 640991719 /nfs/dbraw/zinc/99/17/19/640991719.db2.gz YXUAOWJFZYIVNO-UHFFFAOYSA-N 1 2 274.364 2.499 20 30 CEEDLO C=C[C@@H](C)ONC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000846549150 641338404 /nfs/dbraw/zinc/33/84/04/641338404.db2.gz NAHFPWGVNPHAKQ-CYBMUJFWSA-N 1 2 274.364 2.057 20 30 CEEDLO C=C[C@@H](C)ONC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000846549150 641338411 /nfs/dbraw/zinc/33/84/11/641338411.db2.gz NAHFPWGVNPHAKQ-CYBMUJFWSA-N 1 2 274.364 2.057 20 30 CEEDLO COc1ncc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000877323105 650676259 /nfs/dbraw/zinc/67/62/59/650676259.db2.gz IKAMJQGLSUEGGG-UHFFFAOYSA-N 1 2 298.184 2.492 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000847382193 641651773 /nfs/dbraw/zinc/65/17/73/641651773.db2.gz KHYXJEKGDKCRIZ-AWEZNQCLSA-N 1 2 271.364 2.253 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCc1c[nH+]cn1C ZINC000847689377 641738474 /nfs/dbraw/zinc/73/84/74/641738474.db2.gz WKWWJOXLKBCFBH-CYBMUJFWSA-N 1 2 297.358 2.256 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000848275219 641943425 /nfs/dbraw/zinc/94/34/25/641943425.db2.gz JTTWEMLQCHLZBX-CYBMUJFWSA-N 1 2 267.332 2.128 20 30 CEEDLO COc1cccc(C(C)=NNCCCn2cc[nH+]c2)c1O ZINC000848416366 641985035 /nfs/dbraw/zinc/98/50/35/641985035.db2.gz IZKDXXHVYMQTTG-UHFFFAOYSA-N 1 2 288.351 2.001 20 30 CEEDLO c1cn(CCCNN=C2CCCC23CCOCC3)c[nH+]1 ZINC000848417014 641985895 /nfs/dbraw/zinc/98/58/95/641985895.db2.gz HWADNIIVUUADEV-UHFFFAOYSA-N 1 2 276.384 2.200 20 30 CEEDLO CC(C)O[C@H]1CC(=NNCCCn2cc[nH+]c2)C1(C)C ZINC000848417283 641985902 /nfs/dbraw/zinc/98/59/02/641985902.db2.gz SOBYZFUKDBUXAD-AWEZNQCLSA-N 1 2 278.400 2.442 20 30 CEEDLO CC[C@H]1C[C@H](C=NNCCCn2cc[nH+]c2)CCO1 ZINC000848419429 641987881 /nfs/dbraw/zinc/98/78/81/641987881.db2.gz XPBZSCBMQOWJAN-KGLIPLIRSA-N 1 2 264.373 2.054 20 30 CEEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1C ZINC000877464808 650731570 /nfs/dbraw/zinc/73/15/70/650731570.db2.gz RNCBCWDRTGVZIM-ZWNOBZJWSA-N 1 2 279.771 2.463 20 30 CEEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1C ZINC000877464808 650731571 /nfs/dbraw/zinc/73/15/71/650731571.db2.gz RNCBCWDRTGVZIM-ZWNOBZJWSA-N 1 2 279.771 2.463 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000877514683 650759628 /nfs/dbraw/zinc/75/96/28/650759628.db2.gz STSZWXMYLTWOJB-GFCCVEGCSA-N 1 2 266.348 2.256 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccncc2)CC1 ZINC001000371798 642593338 /nfs/dbraw/zinc/59/33/38/642593338.db2.gz JJIMSRIADROFRU-UHFFFAOYSA-N 1 2 291.782 2.196 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccncc2)CC1 ZINC001000371798 642593340 /nfs/dbraw/zinc/59/33/40/642593340.db2.gz JJIMSRIADROFRU-UHFFFAOYSA-N 1 2 291.782 2.196 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CC2(F)F)CC1 ZINC001000660828 642637232 /nfs/dbraw/zinc/63/72/32/642637232.db2.gz QHXLHLDASNPQBT-LLVKDONJSA-N 1 2 290.741 2.142 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC2(F)F)CC1 ZINC001000660828 642637237 /nfs/dbraw/zinc/63/72/37/642637237.db2.gz QHXLHLDASNPQBT-LLVKDONJSA-N 1 2 290.741 2.142 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(F)c[nH]2)CC1 ZINC001000960518 642673748 /nfs/dbraw/zinc/67/37/48/642673748.db2.gz FLPRPMGSTUPLLB-UHFFFAOYSA-N 1 2 297.761 2.268 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(F)c[nH]2)CC1 ZINC001000960518 642673756 /nfs/dbraw/zinc/67/37/56/642673756.db2.gz FLPRPMGSTUPLLB-UHFFFAOYSA-N 1 2 297.761 2.268 20 30 CEEDLO N#C[C@@]1(C(=O)OCc2ccc(N)[nH+]c2)CC12CCCC2 ZINC000922770108 643255049 /nfs/dbraw/zinc/25/50/49/643255049.db2.gz CBWTUBVDZPZIAV-OAHLLOKOSA-N 1 2 271.320 2.181 20 30 CEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001004576219 643318745 /nfs/dbraw/zinc/31/87/45/643318745.db2.gz DROUZQIVMZWACI-CABCVRRESA-N 1 2 287.407 2.013 20 30 CEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001004576219 643318749 /nfs/dbraw/zinc/31/87/49/643318749.db2.gz DROUZQIVMZWACI-CABCVRRESA-N 1 2 287.407 2.013 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cccnc1Cl)[C@H](C)COC ZINC000852356561 643406044 /nfs/dbraw/zinc/40/60/44/643406044.db2.gz IEVAESXAJJBOKS-LLVKDONJSA-N 1 2 297.786 2.196 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cccnc1Cl)[C@H](C)COC ZINC000852356561 643406045 /nfs/dbraw/zinc/40/60/45/643406045.db2.gz IEVAESXAJJBOKS-LLVKDONJSA-N 1 2 297.786 2.196 20 30 CEEDLO C=C(Cl)C[C@@H]([NH2+]CC1(COC)CCC1)C(=O)OCC ZINC000877671471 650843243 /nfs/dbraw/zinc/84/32/43/650843243.db2.gz YSMWNKKPTQCKCG-GFCCVEGCSA-N 1 2 289.803 2.467 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1nccn1-c1ccccc1 ZINC000852749151 643534761 /nfs/dbraw/zinc/53/47/61/643534761.db2.gz QHOQJPFTWCPOJJ-UHFFFAOYSA-N 1 2 283.375 2.344 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1nccn1-c1ccccc1 ZINC000852749151 643534763 /nfs/dbraw/zinc/53/47/63/643534763.db2.gz QHOQJPFTWCPOJJ-UHFFFAOYSA-N 1 2 283.375 2.344 20 30 CEEDLO C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424989 643704259 /nfs/dbraw/zinc/70/42/59/643704259.db2.gz VVBBCPKSSVDXIA-KFZJALRRSA-N 1 2 287.407 2.039 20 30 CEEDLO C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424989 643704262 /nfs/dbraw/zinc/70/42/62/643704262.db2.gz VVBBCPKSSVDXIA-KFZJALRRSA-N 1 2 287.407 2.039 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCc1cnn(C)c1 ZINC000853229045 643716333 /nfs/dbraw/zinc/71/63/33/643716333.db2.gz DIDYBFYIFNGFPU-UHFFFAOYSA-N 1 2 270.336 2.219 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC000923559264 643762591 /nfs/dbraw/zinc/76/25/91/643762591.db2.gz AYAPFQBNDFVJLR-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC000923559264 643762594 /nfs/dbraw/zinc/76/25/94/643762594.db2.gz AYAPFQBNDFVJLR-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)C1 ZINC000853525502 643801604 /nfs/dbraw/zinc/80/16/04/643801604.db2.gz XIYXFEWYWOTFNN-APHBMKBZSA-N 1 2 287.407 2.217 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)C1 ZINC000853525502 643801608 /nfs/dbraw/zinc/80/16/08/643801608.db2.gz XIYXFEWYWOTFNN-APHBMKBZSA-N 1 2 287.407 2.217 20 30 CEEDLO C=CC[N@H+](Cn1ccc(C(F)(F)F)n1)[C@@H](C)COC ZINC000853532585 643803403 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Cc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1C#N ZINC000880597848 651468275 /nfs/dbraw/zinc/46/82/75/651468275.db2.gz GMTQRUNOHZAEJT-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1ccc(C[N@H+]2CCc3ncncc3C2)cc1C#N ZINC000880597848 651468277 /nfs/dbraw/zinc/46/82/77/651468277.db2.gz GMTQRUNOHZAEJT-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO C#CC[NH+]1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000881786969 651883940 /nfs/dbraw/zinc/88/39/40/651883940.db2.gz QEFVADUEPWSWEN-UHFFFAOYSA-N 1 2 275.352 2.191 20 30 CEEDLO C=C(C)C[C@@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000883005205 652319432 /nfs/dbraw/zinc/31/94/32/652319432.db2.gz HNXYDFNZIOYSSC-LBPRGKRZSA-N 1 2 286.379 2.435 20 30 CEEDLO C#Cc1ccc(C[NH2+]Cc2cc(COC)on2)cc1 ZINC000883132049 652373617 /nfs/dbraw/zinc/37/36/17/652373617.db2.gz DLINCFCAVIWFBI-UHFFFAOYSA-N 1 2 256.305 2.092 20 30 CEEDLO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000883273238 652420162 /nfs/dbraw/zinc/42/01/62/652420162.db2.gz GYBCWGRRKLKUAJ-NQBHXWOUSA-N 1 2 260.337 2.339 20 30 CEEDLO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000883356410 652440697 /nfs/dbraw/zinc/44/06/97/652440697.db2.gz MXCOAQRTUJRUDX-WCQYABFASA-N 1 2 259.353 2.009 20 30 CEEDLO C=CCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001270884808 805654011 /nfs/dbraw/zinc/65/40/11/805654011.db2.gz QHPJYMXFZCZLBE-CVEARBPZSA-N 1 2 294.439 2.445 20 30 CEEDLO C=CCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001270884808 805654013 /nfs/dbraw/zinc/65/40/13/805654013.db2.gz QHPJYMXFZCZLBE-CVEARBPZSA-N 1 2 294.439 2.445 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)C[NH2+]Cc1csnn1 ZINC001271095059 805740221 /nfs/dbraw/zinc/74/02/21/805740221.db2.gz ZVTJIQHLEKVVPU-FZMZJTMJSA-N 1 2 296.440 2.077 20 30 CEEDLO N#CCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224383686 806722134 /nfs/dbraw/zinc/72/21/34/806722134.db2.gz ZXSYSIYIODSBMA-SECBINFHSA-N 1 2 271.773 2.301 20 30 CEEDLO N#CCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224383686 806722141 /nfs/dbraw/zinc/72/21/41/806722141.db2.gz ZXSYSIYIODSBMA-SECBINFHSA-N 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NKSMYKLYNMXFMO-UHFFFAOYSA-N 1 2 262.276 2.482 20 30 CEEDLO C=C[C@H](CCCCCCC)OC[C@@H]([NH3+])C(=O)OC ZINC001217883392 803484158 /nfs/dbraw/zinc/48/41/58/803484158.db2.gz FDBPJONYRQGEOB-CHWSQXEVSA-N 1 2 257.374 2.418 20 30 CEEDLO C#CCO[C@@H](C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001117764511 814945983 /nfs/dbraw/zinc/94/59/83/814945983.db2.gz OFLKFVIZZOIJOV-LBPRGKRZSA-N 1 2 297.358 2.278 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCC[C@H]2CCOC2)ccc1F ZINC001117971823 814971126 /nfs/dbraw/zinc/97/11/26/814971126.db2.gz HINKEYUTKMENCQ-LLVKDONJSA-N 1 2 266.316 2.198 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001027762387 804244801 /nfs/dbraw/zinc/24/48/01/804244801.db2.gz XOKGRPWVMWABIV-LBPRGKRZSA-N 1 2 294.782 2.339 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC001027762387 804244806 /nfs/dbraw/zinc/24/48/06/804244806.db2.gz XOKGRPWVMWABIV-LBPRGKRZSA-N 1 2 294.782 2.339 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1C1CC1 ZINC001038797676 804266537 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ZINC001268233038 804560844 /nfs/dbraw/zinc/56/08/44/804560844.db2.gz UCTOHPLODWIFTG-LHHJGKSTSA-N 1 2 285.391 2.415 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001268455630 804700304 /nfs/dbraw/zinc/70/03/04/804700304.db2.gz OTMUHIUBCVRETR-AWEZNQCLSA-N 1 2 276.424 2.417 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001038397865 804888987 /nfs/dbraw/zinc/88/89/87/804888987.db2.gz LHFDIVNKAJEDNC-KZNAEPCWSA-N 1 2 296.414 2.394 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001038397865 804888994 /nfs/dbraw/zinc/88/89/94/804888994.db2.gz LHFDIVNKAJEDNC-KZNAEPCWSA-N 1 2 296.414 2.394 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H](C)C[N@H+](C)Cc1nocc1C ZINC001268733216 804949952 /nfs/dbraw/zinc/94/99/52/804949952.db2.gz UINNZVMQDBBAMJ-ZDUSSCGKSA-N 1 2 279.384 2.276 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1nocc1C ZINC001268733216 804949955 /nfs/dbraw/zinc/94/99/55/804949955.db2.gz UINNZVMQDBBAMJ-ZDUSSCGKSA-N 1 2 279.384 2.276 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc[nH]2)C1 ZINC001269233035 805095769 /nfs/dbraw/zinc/09/57/69/805095769.db2.gz CJYOXZKSYBDOEF-GJBLVYBDSA-N 1 2 293.798 2.313 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc[nH]2)C1 ZINC001269233035 805095778 /nfs/dbraw/zinc/09/57/78/805095778.db2.gz CJYOXZKSYBDOEF-GJBLVYBDSA-N 1 2 293.798 2.313 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCC1([NH2+]Cc2ncc(C)o2)CC1 ZINC001269474252 805175127 /nfs/dbraw/zinc/17/51/27/805175127.db2.gz BINSDWBWCUJEMS-ZDUSSCGKSA-N 1 2 291.395 2.324 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC)[C@H]1CC ZINC001087478399 805525483 /nfs/dbraw/zinc/52/54/83/805525483.db2.gz OTKMKEFNMBEFPM-WDEREUQCSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC)[C@H]1CC ZINC001087478399 805525477 /nfs/dbraw/zinc/52/54/77/805525477.db2.gz OTKMKEFNMBEFPM-WDEREUQCSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(F)cc3ccncc32)C1 ZINC001030329267 807145265 /nfs/dbraw/zinc/14/52/65/807145265.db2.gz RQLYGQBHPPIQIH-UHFFFAOYSA-N 1 2 299.349 2.364 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(OCCC)c2)C1 ZINC001030396722 807167081 /nfs/dbraw/zinc/16/70/81/807167081.db2.gz JUPRKVJWSYRQSU-UHFFFAOYSA-N 1 2 288.391 2.466 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc3cnccc32)C1 ZINC001030524670 807219251 /nfs/dbraw/zinc/21/92/51/807219251.db2.gz JPYGAKNCNRJUJV-UHFFFAOYSA-N 1 2 295.386 2.154 20 30 CEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CC(=C)C)C2)cc1 ZINC001030541229 807226098 /nfs/dbraw/zinc/22/60/98/807226098.db2.gz IHQZQHZRYCQYPZ-UHFFFAOYSA-N 1 2 286.375 2.242 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001030614255 807254091 /nfs/dbraw/zinc/25/40/91/807254091.db2.gz FIFZDGWEULVIIW-UHFFFAOYSA-N 1 2 288.391 2.302 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)c2cccs2)C1 ZINC001030785439 807379549 /nfs/dbraw/zinc/37/95/49/807379549.db2.gz UVXJWRLSLRXHFY-UHFFFAOYSA-N 1 2 278.421 2.402 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001030804961 807390900 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/nfs/dbraw/zinc/88/22/49/810882249.db2.gz XEMWBSSVJBSZDD-CQSZACIVSA-N 1 2 290.794 2.476 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038665186 810882255 /nfs/dbraw/zinc/88/22/55/810882255.db2.gz XEMWBSSVJBSZDD-CQSZACIVSA-N 1 2 290.794 2.476 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038709104 810895005 /nfs/dbraw/zinc/89/50/05/810895005.db2.gz WOGPEIVXGNAQCC-HNNXBMFYSA-N 1 2 297.402 2.095 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038709104 810895013 /nfs/dbraw/zinc/89/50/13/810895013.db2.gz WOGPEIVXGNAQCC-HNNXBMFYSA-N 1 2 297.402 2.095 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c2ccccc12 ZINC001038728012 810898908 /nfs/dbraw/zinc/89/89/08/810898908.db2.gz AIQQXQSRLUDEBL-ZDUSSCGKSA-N 1 2 296.345 2.416 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c2ccccc12 ZINC001038728012 810898919 /nfs/dbraw/zinc/89/89/19/810898919.db2.gz AIQQXQSRLUDEBL-ZDUSSCGKSA-N 1 2 296.345 2.416 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001038736875 810903969 /nfs/dbraw/zinc/90/39/69/810903969.db2.gz YOPQQDLXNMKJKT-GFCCVEGCSA-N 1 2 292.329 2.101 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001038736875 810903973 /nfs/dbraw/zinc/90/39/73/810903973.db2.gz YOPQQDLXNMKJKT-GFCCVEGCSA-N 1 2 292.329 2.101 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ccsc21 ZINC001038881706 810936632 /nfs/dbraw/zinc/93/66/32/810936632.db2.gz CBUFSTAENQKUCB-CYBMUJFWSA-N 1 2 284.384 2.339 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ccsc21 ZINC001038881706 810936640 /nfs/dbraw/zinc/93/66/40/810936640.db2.gz CBUFSTAENQKUCB-CYBMUJFWSA-N 1 2 284.384 2.339 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1scnc1C1CC1 ZINC001085861911 810945937 /nfs/dbraw/zinc/94/59/37/810945937.db2.gz KLJQRNCNOPQMCB-LBPRGKRZSA-N 1 2 291.420 2.353 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1scnc1C1CC1 ZINC001085861911 810945942 /nfs/dbraw/zinc/94/59/42/810945942.db2.gz KLJQRNCNOPQMCB-LBPRGKRZSA-N 1 2 291.420 2.353 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001038949677 810953694 /nfs/dbraw/zinc/95/36/94/810953694.db2.gz PIYBNDADKSLXMT-GFCCVEGCSA-N 1 2 285.347 2.126 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001038949677 810953699 /nfs/dbraw/zinc/95/36/99/810953699.db2.gz PIYBNDADKSLXMT-GFCCVEGCSA-N 1 2 285.347 2.126 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1Cl ZINC001038955967 810955780 /nfs/dbraw/zinc/95/57/80/810955780.db2.gz MMVUKWQIBFOJDD-LLVKDONJSA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1Cl ZINC001038955967 810955783 /nfs/dbraw/zinc/95/57/83/810955783.db2.gz MMVUKWQIBFOJDD-LLVKDONJSA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)s1 ZINC001039477271 811039031 /nfs/dbraw/zinc/03/90/31/811039031.db2.gz RSBZSXAUMZTAGF-NEPJUHHUSA-N 1 2 292.379 2.199 20 30 CEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)s1 ZINC001039477271 811039041 /nfs/dbraw/zinc/03/90/41/811039041.db2.gz RSBZSXAUMZTAGF-NEPJUHHUSA-N 1 2 292.379 2.199 20 30 CEEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)CCCF ZINC001122488270 815416942 /nfs/dbraw/zinc/41/69/42/815416942.db2.gz UHXJNEAPGSCTGA-UHFFFAOYSA-N 1 2 295.406 2.246 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)cc2)C1 ZINC001108362164 811236598 /nfs/dbraw/zinc/23/65/98/811236598.db2.gz KUSUGJPYHVWWPN-QGZVFWFLSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)cc2)C1 ZINC001108362164 811236602 /nfs/dbraw/zinc/23/66/02/811236602.db2.gz KUSUGJPYHVWWPN-QGZVFWFLSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCCCCC2)C1 ZINC001042530871 811303965 /nfs/dbraw/zinc/30/39/65/811303965.db2.gz DIFFYRVFEHEXAJ-UHFFFAOYSA-N 1 2 250.386 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cscc2C)C1 ZINC001042579431 811307279 /nfs/dbraw/zinc/30/72/79/811307279.db2.gz RHUSUSGLMWZWKS-UHFFFAOYSA-N 1 2 264.394 2.389 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001042818654 811331967 /nfs/dbraw/zinc/33/19/67/811331967.db2.gz DIFJRKDIYBXHBG-CYBMUJFWSA-N 1 2 290.411 2.186 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001042866262 811333589 /nfs/dbraw/zinc/33/35/89/811333589.db2.gz PNZZFVWBDQSMGA-LLVKDONJSA-N 1 2 272.339 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001043154379 811354483 /nfs/dbraw/zinc/35/44/83/811354483.db2.gz OZZYJKZUBDVQRU-YUELXQCFSA-N 1 2 262.397 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001043171596 811356796 /nfs/dbraw/zinc/35/67/96/811356796.db2.gz CRAUUWSRJSKLEF-UHFFFAOYSA-N 1 2 298.390 2.204 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001043433533 811373994 /nfs/dbraw/zinc/37/39/94/811373994.db2.gz KGPRQDGMWYLUTO-AEGPPILISA-N 1 2 262.397 2.141 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001043494358 811378363 /nfs/dbraw/zinc/37/83/63/811378363.db2.gz MOUDOCAZMGFHCA-UHFFFAOYSA-N 1 2 295.386 2.256 20 30 CEEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CC=C(C)C)C2)C1 ZINC001043796693 811407617 /nfs/dbraw/zinc/40/76/17/811407617.db2.gz RJXGMZXBFLHVKF-UHFFFAOYSA-N 1 2 262.397 2.452 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001043975751 811420992 /nfs/dbraw/zinc/42/09/92/811420992.db2.gz VXVWBFVZEYOTIB-MRXNPFEDSA-N 1 2 284.403 2.120 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccccc2F)C1 ZINC001044255750 811463125 /nfs/dbraw/zinc/46/31/25/811463125.db2.gz SMXCYRZAGLMBAP-UHFFFAOYSA-N 1 2 276.355 2.087 20 30 CEEDLO Cc1coc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1C#N ZINC001212668224 815465825 /nfs/dbraw/zinc/46/58/25/815465825.db2.gz OOYNQASFAHCNPE-UHFFFAOYSA-N 1 2 283.331 2.380 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ocnc2CC)C1 ZINC001046601978 811783228 /nfs/dbraw/zinc/78/32/28/811783228.db2.gz KBEPXIXFQUQRKW-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ocnc2CC)C1 ZINC001046601978 811783230 /nfs/dbraw/zinc/78/32/30/811783230.db2.gz KBEPXIXFQUQRKW-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(CC)on2)C1 ZINC001046782899 811815307 /nfs/dbraw/zinc/81/53/07/811815307.db2.gz GTKLKATVFPCYFA-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(CC)on2)C1 ZINC001046782899 811815311 /nfs/dbraw/zinc/81/53/11/811815311.db2.gz GTKLKATVFPCYFA-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109265716 811852694 /nfs/dbraw/zinc/85/26/94/811852694.db2.gz VIUDKDTUUNFUEU-GFCCVEGCSA-N 1 2 290.411 2.328 20 30 CEEDLO CC1(C)CC([N@@H+]2CCC[C@H]2C#N)CC(C)(C)N1O ZINC001169992039 811856050 /nfs/dbraw/zinc/85/60/50/811856050.db2.gz IQKVBXMRZJLLSD-NSHDSACASA-N 1 2 251.374 2.385 20 30 CEEDLO CC1(C)CC([N@H+]2CCC[C@H]2C#N)CC(C)(C)N1O ZINC001169992039 811856062 /nfs/dbraw/zinc/85/60/62/811856062.db2.gz IQKVBXMRZJLLSD-NSHDSACASA-N 1 2 251.374 2.385 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096464871 812055011 /nfs/dbraw/zinc/05/50/11/812055011.db2.gz JHQOLITVWBEOPI-ZDUSSCGKSA-N 1 2 288.395 2.082 20 30 CEEDLO CC(C)=CC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112834272 812080264 /nfs/dbraw/zinc/08/02/64/812080264.db2.gz GIPIOXGKGYAPDZ-UHFFFAOYSA-N 1 2 262.397 2.146 20 30 CEEDLO C#CCCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001112973515 812131466 /nfs/dbraw/zinc/13/14/66/812131466.db2.gz LHDHPPMQUNIQHL-CHWSQXEVSA-N 1 2 288.395 2.284 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnco1 ZINC001049622353 812174690 /nfs/dbraw/zinc/17/46/90/812174690.db2.gz WMNXRZCYRHJMDM-RYUDHWBXSA-N 1 2 295.770 2.106 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnco1 ZINC001049622353 812174696 /nfs/dbraw/zinc/17/46/96/812174696.db2.gz WMNXRZCYRHJMDM-RYUDHWBXSA-N 1 2 295.770 2.106 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113255843 812201638 /nfs/dbraw/zinc/20/16/38/812201638.db2.gz NBQMXKKARVBMDV-WDEREUQCSA-N 1 2 276.384 2.302 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CC)CCCC2)CC1 ZINC001113480657 812257245 /nfs/dbraw/zinc/25/72/45/812257245.db2.gz IIOPEIFDQAVHCI-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096974474 812304026 /nfs/dbraw/zinc/30/40/26/812304026.db2.gz ROYXDZUPCHSTRQ-JSGCOSHPSA-N 1 2 288.395 2.400 20 30 CEEDLO C=CCCC(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097280750 812351908 /nfs/dbraw/zinc/35/19/08/812351908.db2.gz JYLYMRDNHUHDPR-CQSZACIVSA-N 1 2 288.395 2.084 20 30 CEEDLO C[C@@H](Cc1c(F)cccc1Cl)N1CC[NH2+]C[C@@H]1C#N ZINC001172848668 815536551 /nfs/dbraw/zinc/53/65/51/815536551.db2.gz ZJAHLJLWCZEELV-QWRGUYRKSA-N 1 2 281.762 2.207 20 30 CEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)C1 ZINC001056772590 812749412 /nfs/dbraw/zinc/74/94/12/812749412.db2.gz QUPJBCCRLMCVHE-CYBMUJFWSA-N 1 2 286.379 2.154 20 30 CEEDLO CO[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001172940845 815554734 /nfs/dbraw/zinc/55/47/34/815554734.db2.gz UHKREZKRARCIOD-UPJWGTAASA-N 1 2 267.394 2.218 20 30 CEEDLO CO[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001172940845 815554736 /nfs/dbraw/zinc/55/47/36/815554736.db2.gz UHKREZKRARCIOD-UPJWGTAASA-N 1 2 267.394 2.218 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001132398813 812838959 /nfs/dbraw/zinc/83/89/59/812838959.db2.gz PWQBCYSBSHGALF-LLVKDONJSA-N 1 2 294.399 2.172 20 30 CEEDLO CC[C@H](CC#N)[NH+]1CCC(Oc2ncccn2)CC1 ZINC001255173098 812839771 /nfs/dbraw/zinc/83/97/71/812839771.db2.gz HZARLUCEFDRMGB-GFCCVEGCSA-N 1 2 260.341 2.012 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001132667975 812921390 /nfs/dbraw/zinc/92/13/90/812921390.db2.gz YGWYSRMFPBZONJ-NWDGAFQWSA-N 1 2 294.399 2.001 20 30 CEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001133143066 812997553 /nfs/dbraw/zinc/99/75/53/812997553.db2.gz NJXWMMBLENNTQL-UHFFFAOYSA-N 1 2 296.440 2.224 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001133381240 813043282 /nfs/dbraw/zinc/04/32/82/813043282.db2.gz ZJAMXBOPEGMNMO-IUODEOHRSA-N 1 2 279.384 2.352 20 30 CEEDLO Cc1c[nH+]cc(C)c1NC(=O)c1cccc(CC#N)c1 ZINC001133682038 813135456 /nfs/dbraw/zinc/13/54/56/813135456.db2.gz HGWGRAIWSDESRO-UHFFFAOYSA-N 1 2 265.316 2.439 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072113059 813546973 /nfs/dbraw/zinc/54/69/73/813546973.db2.gz NCZOVRJHRBHOIS-GHMZBOCLSA-N 1 2 280.368 2.103 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072113059 813546980 /nfs/dbraw/zinc/54/69/80/813546980.db2.gz NCZOVRJHRBHOIS-GHMZBOCLSA-N 1 2 280.368 2.103 20 30 CEEDLO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170895115 813628009 /nfs/dbraw/zinc/62/80/09/813628009.db2.gz OJDBXXYPYZYQHU-ZJUUUORDSA-N 1 2 284.297 2.337 20 30 CEEDLO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170895115 813628012 /nfs/dbraw/zinc/62/80/12/813628012.db2.gz OJDBXXYPYZYQHU-ZJUUUORDSA-N 1 2 284.297 2.337 20 30 CEEDLO CC#Cc1cncc(NC(=[NH2+])c2ccc(C(=O)OC)cc2)c1 ZINC001170984157 813719998 /nfs/dbraw/zinc/71/99/98/813719998.db2.gz OITPHPODESMNFE-UHFFFAOYSA-N 1 2 293.326 2.277 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](CO)C1 ZINC001143716025 813864090 /nfs/dbraw/zinc/86/40/90/813864090.db2.gz ALHMMMODXLLCIK-NSHDSACASA-N 1 2 264.756 2.416 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CO)C1 ZINC001143716025 813864099 /nfs/dbraw/zinc/86/40/99/813864099.db2.gz ALHMMMODXLLCIK-NSHDSACASA-N 1 2 264.756 2.416 20 30 CEEDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2C#N)CC[C@@H]1O ZINC001143716185 813864152 /nfs/dbraw/zinc/86/41/52/813864152.db2.gz GKKIUIBFCOHQFS-HZMBPMFUSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@@H]1O ZINC001143716185 813864162 /nfs/dbraw/zinc/86/41/62/813864162.db2.gz GKKIUIBFCOHQFS-HZMBPMFUSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143716302 813865648 /nfs/dbraw/zinc/86/56/48/813865648.db2.gz KXJNBWHZJPTPEP-KOLCDFICSA-N 1 2 250.729 2.167 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143716302 813865656 /nfs/dbraw/zinc/86/56/56/813865656.db2.gz KXJNBWHZJPTPEP-KOLCDFICSA-N 1 2 250.729 2.167 20 30 CEEDLO C#CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001143916119 813900617 /nfs/dbraw/zinc/90/06/17/813900617.db2.gz UNZZWUBCFUZJDQ-GFCCVEGCSA-N 1 2 285.174 2.346 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cocn2)C1 ZINC001098753227 813944793 /nfs/dbraw/zinc/94/47/93/813944793.db2.gz FHQNXHXOHGHHAW-FZMZJTMJSA-N 1 2 295.770 2.011 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cocn2)C1 ZINC001098753227 813944799 /nfs/dbraw/zinc/94/47/99/813944799.db2.gz FHQNXHXOHGHHAW-FZMZJTMJSA-N 1 2 295.770 2.011 20 30 CEEDLO C=C1CCC(C(=O)N(C)CCNc2cc[nH+]c(C)n2)CC1 ZINC001101929423 814340858 /nfs/dbraw/zinc/34/08/58/814340858.db2.gz WXBJLUAIFSOUHE-UHFFFAOYSA-N 1 2 288.395 2.402 20 30 CEEDLO C[C@H](C#N)c1cccc(C(=O)NCCc2[nH+]ccn2C)c1 ZINC001148628769 814597707 /nfs/dbraw/zinc/59/77/07/814597707.db2.gz IIXSSNMMBABDPG-GFCCVEGCSA-N 1 2 282.347 2.020 20 30 CEEDLO C=CC(C)(C)C(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001092252033 814698877 /nfs/dbraw/zinc/69/88/77/814698877.db2.gz POMDKIDMXYXLDV-UHFFFAOYSA-N 1 2 288.395 2.304 20 30 CEEDLO C#CCCCCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115682073 814744204 /nfs/dbraw/zinc/74/42/04/814744204.db2.gz GNKYDNXDKREHLQ-CYBMUJFWSA-N 1 2 288.395 2.237 20 30 CEEDLO C[C@@H](O)[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173330301 815679385 /nfs/dbraw/zinc/67/93/85/815679385.db2.gz NXULHDZOAYBHOD-RYSNWHEDSA-N 1 2 296.411 2.140 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn1C)C2 ZINC001095183452 815743571 /nfs/dbraw/zinc/74/35/71/815743571.db2.gz CBMVZDWYCUHWDZ-AGIUHOORSA-N 1 2 293.798 2.113 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn1C)C2 ZINC001095183452 815743575 /nfs/dbraw/zinc/74/35/75/815743575.db2.gz CBMVZDWYCUHWDZ-AGIUHOORSA-N 1 2 293.798 2.113 20 30 CEEDLO CCOC(=O)C1([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586072 815752549 /nfs/dbraw/zinc/75/25/49/815752549.db2.gz GRYKBPYJPBDEHP-UHFFFAOYSA-N 1 2 250.342 2.144 20 30 CEEDLO COc1cc(C)c(C[N@@H+]2CC[C@H](C#N)C2)cc1OC ZINC001138439293 815800116 /nfs/dbraw/zinc/80/01/16/815800116.db2.gz BUHARSGEBXJFFG-GFCCVEGCSA-N 1 2 260.337 2.358 20 30 CEEDLO COc1cc(C)c(C[N@H+]2CC[C@H](C#N)C2)cc1OC ZINC001138439293 815800128 /nfs/dbraw/zinc/80/01/28/815800128.db2.gz BUHARSGEBXJFFG-GFCCVEGCSA-N 1 2 260.337 2.358 20 30 CEEDLO C=CCc1cccc(C[N@@H+]2CCn3cncc3C2)c1O ZINC001138627719 815848975 /nfs/dbraw/zinc/84/89/75/815848975.db2.gz DZGGLYLPVVMEMV-UHFFFAOYSA-N 1 2 269.348 2.333 20 30 CEEDLO C=CCc1cccc(C[N@H+]2CCn3cncc3C2)c1O ZINC001138627719 815848984 /nfs/dbraw/zinc/84/89/84/815848984.db2.gz DZGGLYLPVVMEMV-UHFFFAOYSA-N 1 2 269.348 2.333 20 30 CEEDLO C#Cc1cc(Nc2ccc(OC)c(OC)c2)cc[nH+]1 ZINC001173885030 815853054 /nfs/dbraw/zinc/85/30/54/815853054.db2.gz FCYIRTOQKINPTK-UHFFFAOYSA-N 1 2 254.289 2.246 20 30 CEEDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(CC#N)C1 ZINC001139126532 815964570 /nfs/dbraw/zinc/96/45/70/815964570.db2.gz IVPWRTGIVOLDMU-UHFFFAOYSA-N 1 2 284.315 2.153 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)nc1 ZINC001139839861 816125340 /nfs/dbraw/zinc/12/53/40/816125340.db2.gz WSUULWCQHPASNJ-ZDUSSCGKSA-N 1 2 260.362 2.164 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)nc1 ZINC001139839861 816125343 /nfs/dbraw/zinc/12/53/43/816125343.db2.gz WSUULWCQHPASNJ-ZDUSSCGKSA-N 1 2 260.362 2.164 20 30 CEEDLO Cc1nc(Nc2ccc(N(C)C)[nH+]c2)c(C#N)cc1C#N ZINC001175341101 816178609 /nfs/dbraw/zinc/17/86/09/816178609.db2.gz PHBXHCDJKYHWMJ-UHFFFAOYSA-N 1 2 278.319 2.338 20 30 CEEDLO COc1cc([NH+]=C(NO)c2ccccc2N)ccc1F ZINC001175399549 816188432 /nfs/dbraw/zinc/18/84/32/816188432.db2.gz KPPCYPNWIQNJDN-UHFFFAOYSA-N 1 2 275.283 2.474 20 30 CEEDLO CCOC(=O)C[N@H+](CC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116166 816193697 /nfs/dbraw/zinc/19/36/97/816193697.db2.gz UAJWNFINJSATNE-UHFFFAOYSA-N 1 2 285.347 2.425 20 30 CEEDLO CCOC(=O)C[N@@H+](CC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116166 816193702 /nfs/dbraw/zinc/19/37/02/816193702.db2.gz UAJWNFINJSATNE-UHFFFAOYSA-N 1 2 285.347 2.425 20 30 CEEDLO C=CCC(F)(F)C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001175707538 816276412 /nfs/dbraw/zinc/27/64/12/816276412.db2.gz KCWPSAFCBHPUEB-UHFFFAOYSA-N 1 2 283.322 2.236 20 30 CEEDLO C=CCOc1cccc(C[NH2+]Cc2nncn2CC)c1 ZINC001177294215 816538721 /nfs/dbraw/zinc/53/87/21/816538721.db2.gz IFMGOJWIOACHBX-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO C[C@]1(O)CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897610 816596998 /nfs/dbraw/zinc/59/69/98/816596998.db2.gz XVXIKWJFSDPDNG-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO C[C@]1(O)CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897610 816597001 /nfs/dbraw/zinc/59/70/01/816597001.db2.gz XVXIKWJFSDPDNG-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO CC(C)(C)c1nc[nH]c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001142217520 816641635 /nfs/dbraw/zinc/64/16/35/816641635.db2.gz JMEGOQXKCBCGCD-GFCCVEGCSA-N 1 2 291.420 2.481 20 30 CEEDLO CC(C)(C)c1nc[nH]c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001142217520 816641640 /nfs/dbraw/zinc/64/16/40/816641640.db2.gz JMEGOQXKCBCGCD-GFCCVEGCSA-N 1 2 291.420 2.481 20 30 CEEDLO N#CC1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001143181995 816802467 /nfs/dbraw/zinc/80/24/67/816802467.db2.gz QSRYLDIEDQIJLR-UHFFFAOYSA-N 1 2 266.304 2.174 20 30 CEEDLO C=CCCC(C)(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000620857818 349445916 /nfs/dbraw/zinc/44/59/16/349445916.db2.gz KKWPBPNVCUYLON-GFCCVEGCSA-N 1 2 261.369 2.307 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121312958 365552017 /nfs/dbraw/zinc/55/20/17/365552017.db2.gz YQPFHWCFZRNVFV-UHFFFAOYSA-N 1 2 283.715 2.305 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121312958 365552021 /nfs/dbraw/zinc/55/20/21/365552021.db2.gz YQPFHWCFZRNVFV-UHFFFAOYSA-N 1 2 283.715 2.305 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)cc1 ZINC000124738986 365659416 /nfs/dbraw/zinc/65/94/16/365659416.db2.gz QGLGDVAFFBBPRH-OAHLLOKOSA-N 1 2 275.348 2.389 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)cc1 ZINC000124738986 365659422 /nfs/dbraw/zinc/65/94/22/365659422.db2.gz QGLGDVAFFBBPRH-OAHLLOKOSA-N 1 2 275.348 2.389 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccc(C#N)cc1 ZINC000601564014 346850850 /nfs/dbraw/zinc/85/08/50/346850850.db2.gz ZEXZXFMREHFGBD-LLVKDONJSA-N 1 2 283.335 2.184 20 30 CEEDLO CN(C(=O)c1ccc2[nH+]ccn2c1)c1ccccc1C#N ZINC000337841455 214283508 /nfs/dbraw/zinc/28/35/08/214283508.db2.gz GKHRUEIQANXKNF-UHFFFAOYSA-N 1 2 276.299 2.483 20 30 CEEDLO CCN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H](C)C#N ZINC000601672452 346874899 /nfs/dbraw/zinc/87/48/99/346874899.db2.gz YCICCPLWRMQJDP-NSHDSACASA-N 1 2 268.320 2.451 20 30 CEEDLO CCN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000329527844 539241530 /nfs/dbraw/zinc/24/15/30/539241530.db2.gz HZEMLLSJDAPOHX-LBPRGKRZSA-N 1 2 276.384 2.376 20 30 CEEDLO O=C(C[C@@H]1CCOC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329799851 539250821 /nfs/dbraw/zinc/25/08/21/539250821.db2.gz YADJIYJHAPZEJM-ZDUSSCGKSA-N 1 2 289.379 2.434 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC#N)c1ccc(Cl)cc1 ZINC000041205358 362025231 /nfs/dbraw/zinc/02/52/31/362025231.db2.gz LAYXBLFROAPRBT-CYBMUJFWSA-N 1 2 288.738 2.193 20 30 CEEDLO CCC#C[C@@H](C)[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000589286102 539285431 /nfs/dbraw/zinc/28/54/31/539285431.db2.gz BWSAESPNEZYXHV-GFCCVEGCSA-N 1 2 288.420 2.247 20 30 CEEDLO C=CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043518009 362146168 /nfs/dbraw/zinc/14/61/68/362146168.db2.gz ABWDJOINAIVEOZ-UHFFFAOYSA-N 1 2 280.397 2.437 20 30 CEEDLO C[C@@H](CC#N)n1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601936359 346932142 /nfs/dbraw/zinc/93/21/42/346932142.db2.gz RKDPYBOGVODGHQ-ZFWWWQNUSA-N 1 2 296.374 2.009 20 30 CEEDLO C[C@@H](CC#N)n1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601936359 346932144 /nfs/dbraw/zinc/93/21/44/346932144.db2.gz RKDPYBOGVODGHQ-ZFWWWQNUSA-N 1 2 296.374 2.009 20 30 CEEDLO C=C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)C(=O)OC ZINC000601942130 346935225 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C/C=C/C=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068957625 343777457 /nfs/dbraw/zinc/77/74/57/343777457.db2.gz KURLZPQBHOJOPD-MQQKCMAXSA-N 1 2 295.386 2.335 20 30 CEEDLO N#CCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602092432 346971882 /nfs/dbraw/zinc/97/18/82/346971882.db2.gz HCYDFZQZBQYOPP-UHFFFAOYSA-N 1 2 284.319 2.002 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602086166 346970239 /nfs/dbraw/zinc/97/02/39/346970239.db2.gz QCUYZNUXFQZHMW-VXGBXAGGSA-N 1 2 266.304 2.332 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602086166 346970243 /nfs/dbraw/zinc/97/02/43/346970243.db2.gz QCUYZNUXFQZHMW-VXGBXAGGSA-N 1 2 266.304 2.332 20 30 CEEDLO CC(C)C[C@@H](C(=O)N(C)C[C@H](C)C#N)n1cc[nH+]c1 ZINC000602083620 346970485 /nfs/dbraw/zinc/97/04/85/346970485.db2.gz OFRKODLNWAYLFR-OLZOCXBDSA-N 1 2 262.357 2.088 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000602159350 346984599 /nfs/dbraw/zinc/98/45/99/346984599.db2.gz 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259.353 2.343 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)C(C)(C)CO1 ZINC000593958093 345556068 /nfs/dbraw/zinc/55/60/68/345556068.db2.gz OFXOOKKQKJVVIH-UHFFFAOYSA-N 1 2 259.353 2.343 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@H](CC=C)C1)C(=O)OC ZINC000593622663 345514495 /nfs/dbraw/zinc/51/44/95/345514495.db2.gz QUNQSIFSZBZMAR-IHRRRGAJSA-N 1 2 267.369 2.065 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594322154 345612068 /nfs/dbraw/zinc/61/20/68/345612068.db2.gz RUVGTQFJTDJBFI-JTQLQIEISA-N 1 2 268.320 2.407 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594322154 345612071 /nfs/dbraw/zinc/61/20/71/345612071.db2.gz RUVGTQFJTDJBFI-JTQLQIEISA-N 1 2 268.320 2.407 20 30 CEEDLO C[C@H](CNc1ncc(C#N)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589773 345652318 /nfs/dbraw/zinc/65/23/18/345652318.db2.gz OIUWGYCRQCAVOS-UTUOFQBUSA-N 1 2 292.358 2.002 20 30 CEEDLO C[C@H](CNc1ncc(C#N)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589773 345652322 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Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615743 345827765 /nfs/dbraw/zinc/82/77/65/345827765.db2.gz NNHGUGWRGNVMRA-ZDUSSCGKSA-N 1 2 291.420 2.298 20 30 CEEDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833359 345890338 /nfs/dbraw/zinc/89/03/38/345890338.db2.gz GPLPEAYXIYCESQ-ZBFHGGJFSA-N 1 2 271.364 2.051 20 30 CEEDLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833359 345890340 /nfs/dbraw/zinc/89/03/40/345890340.db2.gz GPLPEAYXIYCESQ-ZBFHGGJFSA-N 1 2 271.364 2.051 20 30 CEEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834563 345891042 /nfs/dbraw/zinc/89/10/42/345891042.db2.gz JTNDCYXIRXQFSI-YOEHRIQHSA-N 1 2 285.391 2.442 20 30 CEEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834563 345891044 /nfs/dbraw/zinc/89/10/44/345891044.db2.gz JTNDCYXIRXQFSI-YOEHRIQHSA-N 1 2 285.391 2.442 20 30 CEEDLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834679 345891387 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C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839265 345894895 /nfs/dbraw/zinc/89/48/95/345894895.db2.gz HLHNSZQNHWBNQK-LRDDRELGSA-N 1 2 289.354 2.066 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839265 345894900 /nfs/dbraw/zinc/89/49/00/345894900.db2.gz HLHNSZQNHWBNQK-LRDDRELGSA-N 1 2 289.354 2.066 20 30 CEEDLO Cn1cc(C[N@H+](C)CCC2(C#N)CCCCC2)nn1 ZINC000595759084 345869649 /nfs/dbraw/zinc/86/96/49/345869649.db2.gz NRIPFTQBKITDSD-UHFFFAOYSA-N 1 2 261.373 2.111 20 30 CEEDLO Cn1cc(C[N@@H+](C)CCC2(C#N)CCCCC2)nn1 ZINC000595759084 345869653 /nfs/dbraw/zinc/86/96/53/345869653.db2.gz NRIPFTQBKITDSD-UHFFFAOYSA-N 1 2 261.373 2.111 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2nccnc2C1 ZINC000595863757 345901415 /nfs/dbraw/zinc/90/14/15/345901415.db2.gz PFCMLNYYFCOJFF-LBPRGKRZSA-N 1 2 264.332 2.468 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2nccnc2C1 ZINC000595863757 345901419 /nfs/dbraw/zinc/90/14/19/345901419.db2.gz PFCMLNYYFCOJFF-LBPRGKRZSA-N 1 2 264.332 2.468 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000595871201 345902355 /nfs/dbraw/zinc/90/23/55/345902355.db2.gz PYVIJGQFEYKISN-UHFFFAOYSA-N 1 2 284.359 2.280 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(CC#N)cc1 ZINC000595871201 345902358 /nfs/dbraw/zinc/90/23/58/345902358.db2.gz PYVIJGQFEYKISN-UHFFFAOYSA-N 1 2 284.359 2.280 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000595881100 345905178 /nfs/dbraw/zinc/90/51/78/345905178.db2.gz PZERFMKOEGOTGB-HIFRSBDPSA-N 1 2 259.349 2.376 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595881100 345905181 /nfs/dbraw/zinc/90/51/81/345905181.db2.gz PZERFMKOEGOTGB-HIFRSBDPSA-N 1 2 259.349 2.376 20 30 CEEDLO C[C@H](C[NH+]1CCCCC1)Nc1nc(C#N)c(Cl)s1 ZINC000596077548 345934821 /nfs/dbraw/zinc/93/48/21/345934821.db2.gz SFQNTISTMDGCHO-SECBINFHSA-N 1 2 284.816 2.376 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(CC(=O)OC)cc[nH+]1 ZINC000596527582 346046163 /nfs/dbraw/zinc/04/61/63/346046163.db2.gz IESMJCKJXLOICE-OKILXGFUSA-N 1 2 272.348 2.485 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NCC1(C#N)CCCCC1 ZINC000596818162 346093246 /nfs/dbraw/zinc/09/32/46/346093246.db2.gz ZDSXAKVUXNLWRU-UHFFFAOYSA-N 1 2 272.352 2.408 20 30 CEEDLO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597176514 346141181 /nfs/dbraw/zinc/14/11/81/346141181.db2.gz IHBHIYCDUATZSP-SNVBAGLBSA-N 1 2 252.749 2.199 20 30 CEEDLO Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176514 346141185 /nfs/dbraw/zinc/14/11/85/346141185.db2.gz IHBHIYCDUATZSP-SNVBAGLBSA-N 1 2 252.749 2.199 20 30 CEEDLO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597178090 346142254 /nfs/dbraw/zinc/14/22/54/346142254.db2.gz VGNVOZWGMBGOIO-JTQLQIEISA-N 1 2 297.200 2.308 20 30 CEEDLO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597178090 346142257 /nfs/dbraw/zinc/14/22/57/346142257.db2.gz VGNVOZWGMBGOIO-JTQLQIEISA-N 1 2 297.200 2.308 20 30 CEEDLO N#CCC1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597194303 346145610 /nfs/dbraw/zinc/14/56/10/346145610.db2.gz 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C[C@@]1(C#N)CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000599361457 346507293 /nfs/dbraw/zinc/50/72/93/346507293.db2.gz HCZAYCUVVVWLOJ-HNNXBMFYSA-N 1 2 262.328 2.444 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000599361457 346507294 /nfs/dbraw/zinc/50/72/94/346507294.db2.gz HCZAYCUVVVWLOJ-HNNXBMFYSA-N 1 2 262.328 2.444 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1C#N ZINC000599296915 346493042 /nfs/dbraw/zinc/49/30/42/346493042.db2.gz KGHLQLLHHUQRHV-QUJCMNEKSA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1C#N ZINC000599296915 346493046 /nfs/dbraw/zinc/49/30/46/346493046.db2.gz KGHLQLLHHUQRHV-QUJCMNEKSA-N 1 2 276.405 2.208 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccncc1Br ZINC000602607443 347099177 /nfs/dbraw/zinc/09/91/77/347099177.db2.gz JYULBNDOAKOTCV-QMMMGPOBSA-N 1 2 254.131 2.093 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C)c(C#N)c1 ZINC000599482810 346527741 /nfs/dbraw/zinc/52/77/41/346527741.db2.gz WFDDRFUIINYKHU-UHFFFAOYSA-N 1 2 284.359 2.394 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C)c(C#N)c1 ZINC000599482810 346527743 /nfs/dbraw/zinc/52/77/43/346527743.db2.gz WFDDRFUIINYKHU-UHFFFAOYSA-N 1 2 284.359 2.394 20 30 CEEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000599691912 346568521 /nfs/dbraw/zinc/56/85/21/346568521.db2.gz UWXLAJNXTBZQAR-AWEZNQCLSA-N 1 2 289.354 2.188 20 30 CEEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000599691912 346568523 /nfs/dbraw/zinc/56/85/23/346568523.db2.gz UWXLAJNXTBZQAR-AWEZNQCLSA-N 1 2 289.354 2.188 20 30 CEEDLO C[C@@H](CC#N)C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315535 346634068 /nfs/dbraw/zinc/63/40/68/346634068.db2.gz QCPKTPONYPNVED-GWCFXTLKSA-N 1 2 286.310 2.304 20 30 CEEDLO Cc1c[nH+]ccc1CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601136271 346765462 /nfs/dbraw/zinc/76/54/62/346765462.db2.gz ZMWKQADPBMJGRN-UHFFFAOYSA-N 1 2 279.347 2.006 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1ccc(CO)cc1)C(=O)OCC ZINC000602679486 347140694 /nfs/dbraw/zinc/14/06/94/347140694.db2.gz FLSVLHAZVUXUIT-HNNXBMFYSA-N 1 2 277.364 2.166 20 30 CEEDLO N#CC1(C[NH2+]Cc2cc3c(cn2)OCCO3)CCCC1 ZINC000602698448 347154424 /nfs/dbraw/zinc/15/44/24/347154424.db2.gz IWVXJWABOOUNHO-UHFFFAOYSA-N 1 2 273.336 2.026 20 30 CEEDLO CC(C)(C)c1ncc(C[NH+]2CCN(CCC#N)CC2)s1 ZINC000602747875 347183353 /nfs/dbraw/zinc/18/33/53/347183353.db2.gz HNELTCHDYXIDIG-UHFFFAOYSA-N 1 2 292.452 2.472 20 30 CEEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CC1(CC#N)CC1 ZINC000602832825 347217410 /nfs/dbraw/zinc/21/74/10/347217410.db2.gz SFZCLJAPBWGUPX-UWVGGRQHSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602832825 347217411 /nfs/dbraw/zinc/21/74/11/347217411.db2.gz SFZCLJAPBWGUPX-UWVGGRQHSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H](C)N1CC#N ZINC000602852529 347225144 /nfs/dbraw/zinc/22/51/44/347225144.db2.gz CAZBAPLHWBJJJF-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H](C)N1CC#N ZINC000602852529 347225147 /nfs/dbraw/zinc/22/51/47/347225147.db2.gz CAZBAPLHWBJJJF-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@@H](C)N1CC#N ZINC000602854877 347226397 /nfs/dbraw/zinc/22/63/97/347226397.db2.gz DFOZIEQPJDVMIZ-CHWSQXEVSA-N 1 2 286.354 2.116 20 30 CEEDLO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602860436 347228253 /nfs/dbraw/zinc/22/82/53/347228253.db2.gz BSXHRXWAYVFCAK-AWEZNQCLSA-N 1 2 273.380 2.315 20 30 CEEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602860713 347228805 /nfs/dbraw/zinc/22/88/05/347228805.db2.gz FMSDWKGAOBSQBD-RYUDHWBXSA-N 1 2 275.352 2.304 20 30 CEEDLO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)CC#N)C2CC2)cc1 ZINC000602864065 347229962 /nfs/dbraw/zinc/22/99/62/347229962.db2.gz QJHOYHZRSJTBHR-CQSZACIVSA-N 1 2 285.391 2.378 20 30 CEEDLO COC(=O)c1cc(C[NH2+][C@H](C)CC#N)c(C)s1 ZINC000602864094 347230513 /nfs/dbraw/zinc/23/05/13/347230513.db2.gz QNUAGUJQYLGBAN-MRVPVSSYSA-N 1 2 252.339 2.235 20 30 CEEDLO CSc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602868168 347231247 /nfs/dbraw/zinc/23/12/47/347231247.db2.gz HNJHIHAVUQJARG-SNVBAGLBSA-N 1 2 263.366 2.239 20 30 CEEDLO COC(=O)c1coc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000602883112 347236738 /nfs/dbraw/zinc/23/67/38/347236738.db2.gz HUNUYFDPJLHIBY-GHMZBOCLSA-N 1 2 277.324 2.148 20 30 CEEDLO COC(=O)c1coc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000602883112 347236742 /nfs/dbraw/zinc/23/67/42/347236742.db2.gz HUNUYFDPJLHIBY-GHMZBOCLSA-N 1 2 277.324 2.148 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000602881230 347237385 /nfs/dbraw/zinc/23/73/85/347237385.db2.gz DZLIZZXEDFLMCW-BXUZGUMPSA-N 1 2 294.424 2.018 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC000602881230 347237391 /nfs/dbraw/zinc/23/73/91/347237391.db2.gz DZLIZZXEDFLMCW-BXUZGUMPSA-N 1 2 294.424 2.018 20 30 CEEDLO N#Cc1ccc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc1 ZINC000602908613 347244621 /nfs/dbraw/zinc/24/46/21/347244621.db2.gz DKPKPHBOPZBNTO-UHFFFAOYSA-N 1 2 267.336 2.056 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602956469 347256723 /nfs/dbraw/zinc/25/67/23/347256723.db2.gz QVDCNDVOBCWULR-LBPRGKRZSA-N 1 2 280.393 2.125 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974078 347260269 /nfs/dbraw/zinc/26/02/69/347260269.db2.gz JSYMZTVTEINKLE-XGUBFFRZSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974078 347260271 /nfs/dbraw/zinc/26/02/71/347260271.db2.gz JSYMZTVTEINKLE-XGUBFFRZSA-N 1 2 277.412 2.400 20 30 CEEDLO C[N@H+](Cc1cc(CO)ccc1F)[C@H]1CCC[C@H]1C#N ZINC000602981388 347264690 /nfs/dbraw/zinc/26/46/90/347264690.db2.gz CDDZZKSOWGJBIK-WFASDCNBSA-N 1 2 262.328 2.442 20 30 CEEDLO C[N@@H+](Cc1cc(CO)ccc1F)[C@H]1CCC[C@H]1C#N ZINC000602981388 347264692 /nfs/dbraw/zinc/26/46/92/347264692.db2.gz CDDZZKSOWGJBIK-WFASDCNBSA-N 1 2 262.328 2.442 20 30 CEEDLO CC[C@]1(O)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000602983546 347265743 /nfs/dbraw/zinc/26/57/43/347265743.db2.gz MWBDIRXPBCBKCD-HNNXBMFYSA-N 1 2 289.335 2.203 20 30 CEEDLO CC[C@]1(O)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000602983546 347265746 /nfs/dbraw/zinc/26/57/46/347265746.db2.gz MWBDIRXPBCBKCD-HNNXBMFYSA-N 1 2 289.335 2.203 20 30 CEEDLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(-n2cccc2)c1C#N ZINC000603415800 347365022 /nfs/dbraw/zinc/36/50/22/347365022.db2.gz OEYPEIJIEIWTGU-AWEZNQCLSA-N 1 2 296.374 2.091 20 30 CEEDLO C[N@H+]1CCOC[C@@H]1CNc1cccc(-n2cccc2)c1C#N ZINC000603415800 347365025 /nfs/dbraw/zinc/36/50/25/347365025.db2.gz OEYPEIJIEIWTGU-AWEZNQCLSA-N 1 2 296.374 2.091 20 30 CEEDLO N#CCC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000604416009 347414544 /nfs/dbraw/zinc/41/45/44/347414544.db2.gz SYATZBULYSIPGF-UHFFFAOYSA-N 1 2 263.385 2.061 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000603890530 347396762 /nfs/dbraw/zinc/39/67/62/347396762.db2.gz ATZDTLVXBQIXBQ-UHFFFAOYSA-N 1 2 289.379 2.315 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000603890530 347396765 /nfs/dbraw/zinc/39/67/65/347396765.db2.gz ATZDTLVXBQIXBQ-UHFFFAOYSA-N 1 2 289.379 2.315 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](Nc1cnc(C#N)cn1)c1ccccc1 ZINC000609287519 347633054 /nfs/dbraw/zinc/63/30/54/347633054.db2.gz PHGWTGVWNAHPKC-HNNXBMFYSA-N 1 2 290.330 2.283 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1ccn(-c2ccccc2F)n1 ZINC000609449195 347639815 /nfs/dbraw/zinc/63/98/15/347639815.db2.gz CLUSAUBHQALGNS-LLVKDONJSA-N 1 2 258.300 2.403 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000609826720 347651907 /nfs/dbraw/zinc/65/19/07/347651907.db2.gz UWPRRQIUJUQNSX-MAUKXSAKSA-N 1 2 299.418 2.416 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505849 347687223 /nfs/dbraw/zinc/68/72/23/347687223.db2.gz YSIYYFDVPQIVDR-OAHLLOKOSA-N 1 2 289.354 2.335 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505849 347687225 /nfs/dbraw/zinc/68/72/25/347687225.db2.gz YSIYYFDVPQIVDR-OAHLLOKOSA-N 1 2 289.354 2.335 20 30 CEEDLO N#CC1(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)CC1 ZINC000611430946 347778130 /nfs/dbraw/zinc/77/81/30/347778130.db2.gz IGVGYPKVADBAOX-UHFFFAOYSA-N 1 2 252.321 2.266 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@H]1COc2ccccc2O1)C1CC1 ZINC000611091227 347738884 /nfs/dbraw/zinc/73/88/84/347738884.db2.gz FHXINFKRHOIPMK-JSGCOSHPSA-N 1 2 272.348 2.450 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1COc2ccccc2O1)C1CC1 ZINC000611091227 347738888 /nfs/dbraw/zinc/73/88/88/347738888.db2.gz FHXINFKRHOIPMK-JSGCOSHPSA-N 1 2 272.348 2.450 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179503 347748749 /nfs/dbraw/zinc/74/87/49/347748749.db2.gz DIEOCIIHADFOAQ-VIFPVBQESA-N 1 2 285.319 2.145 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179503 347748751 /nfs/dbraw/zinc/74/87/51/347748751.db2.gz DIEOCIIHADFOAQ-VIFPVBQESA-N 1 2 285.319 2.145 20 30 CEEDLO N#Cc1cccc(NC(=O)C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC000611180449 347749010 /nfs/dbraw/zinc/74/90/10/347749010.db2.gz HSDBULUCWHBQIQ-UHFFFAOYSA-N 1 2 291.301 2.228 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=CCC2)cc1Cl ZINC000611517525 347789389 /nfs/dbraw/zinc/78/93/89/347789389.db2.gz LOJWJLORYUOKDI-UHFFFAOYSA-N 1 2 275.739 2.412 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=CCC2)cc1Cl ZINC000611517525 347789392 /nfs/dbraw/zinc/78/93/92/347789392.db2.gz LOJWJLORYUOKDI-UHFFFAOYSA-N 1 2 275.739 2.412 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1F ZINC000611521408 347790136 /nfs/dbraw/zinc/79/01/36/347790136.db2.gz DOSXNCSSVJSAIF-BXUZGUMPSA-N 1 2 272.327 2.386 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1F ZINC000611521408 347790137 /nfs/dbraw/zinc/79/01/37/347790137.db2.gz DOSXNCSSVJSAIF-BXUZGUMPSA-N 1 2 272.327 2.386 20 30 CEEDLO Cc1nc2[nH]ccc2c(N2CCC(C)(C#N)CC2)[nH+]1 ZINC000611540211 347793061 /nfs/dbraw/zinc/79/30/61/347793061.db2.gz OOHLJGYRZRZSSW-UHFFFAOYSA-N 1 2 255.325 2.396 20 30 CEEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164226 347851969 /nfs/dbraw/zinc/85/19/69/347851969.db2.gz BJCLUFJKUBFEPE-IUODEOHRSA-N 1 2 265.401 2.305 20 30 CEEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164226 347851972 /nfs/dbraw/zinc/85/19/72/347851972.db2.gz BJCLUFJKUBFEPE-IUODEOHRSA-N 1 2 265.401 2.305 20 30 CEEDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162739 347852002 /nfs/dbraw/zinc/85/20/02/347852002.db2.gz QMCOEAUSDDBXGB-SWLSCSKDSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162739 347852007 /nfs/dbraw/zinc/85/20/07/347852007.db2.gz QMCOEAUSDDBXGB-SWLSCSKDSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163727 347852064 /nfs/dbraw/zinc/85/20/64/347852064.db2.gz ZMKGSCJUVXRVAW-ZBFHGGJFSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163727 347852068 /nfs/dbraw/zinc/85/20/68/347852068.db2.gz ZMKGSCJUVXRVAW-ZBFHGGJFSA-N 1 2 277.412 2.403 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)nc12 ZINC000612165395 347853026 /nfs/dbraw/zinc/85/30/26/347853026.db2.gz NHPNBGZQHATOIQ-KRWDZBQOSA-N 1 2 296.374 2.129 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@](C)(C#N)C3)nc12 ZINC000612165395 347853027 /nfs/dbraw/zinc/85/30/27/347853027.db2.gz NHPNBGZQHATOIQ-KRWDZBQOSA-N 1 2 296.374 2.129 20 30 CEEDLO C[C@]1(C#N)CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000612366454 347874983 /nfs/dbraw/zinc/87/49/83/347874983.db2.gz QYYWYUMAOMFHEW-MRXNPFEDSA-N 1 2 295.346 2.033 20 30 CEEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000614395974 348192317 /nfs/dbraw/zinc/19/23/17/348192317.db2.gz HQMVWNCSFXDVAC-GOSISDBHSA-N 1 2 299.418 2.163 20 30 CEEDLO COCCN(CCC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000614988503 348264454 /nfs/dbraw/zinc/26/44/54/348264454.db2.gz SUALKOIQMXCDEN-UHFFFAOYSA-N 1 2 298.390 2.293 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1scnc1C ZINC000066564485 362873958 /nfs/dbraw/zinc/87/39/58/362873958.db2.gz YLHDVZFXDXLCFE-UHFFFAOYSA-N 1 2 281.425 2.308 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000066564485 362873965 /nfs/dbraw/zinc/87/39/65/362873965.db2.gz YLHDVZFXDXLCFE-UHFFFAOYSA-N 1 2 281.425 2.308 20 30 CEEDLO N#CCC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066876491 362892495 /nfs/dbraw/zinc/89/24/95/362892495.db2.gz HQUOCGXOLWDBJU-UHFFFAOYSA-N 1 2 263.385 2.061 20 30 CEEDLO N#C[C@@]1(F)CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000615651715 348367932 /nfs/dbraw/zinc/36/79/32/348367932.db2.gz LXWASQQLTZUSEL-ZDUSSCGKSA-N 1 2 278.718 2.425 20 30 CEEDLO Cc1cc(C#N)ccc1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000616821200 348577953 /nfs/dbraw/zinc/57/79/53/348577953.db2.gz YLNBJESLGKXCNV-CHWSQXEVSA-N 1 2 276.405 2.208 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC000616772705 348572995 /nfs/dbraw/zinc/57/29/95/348572995.db2.gz WQMFTJHEVCQLPH-MRXNPFEDSA-N 1 2 271.360 2.456 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC000616772705 348572997 /nfs/dbraw/zinc/57/29/97/348572997.db2.gz WQMFTJHEVCQLPH-MRXNPFEDSA-N 1 2 271.360 2.456 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CCCC1 ZINC000617719589 348772762 /nfs/dbraw/zinc/77/27/62/348772762.db2.gz PCDHVIFEWBBCFY-LSDHHAIUSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CCCC1 ZINC000617719589 348772765 /nfs/dbraw/zinc/77/27/65/348772765.db2.gz PCDHVIFEWBBCFY-LSDHHAIUSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000617777196 348788485 /nfs/dbraw/zinc/78/84/85/348788485.db2.gz KGQYZXWMWMCPJS-KGLIPLIRSA-N 1 2 273.380 2.260 20 30 CEEDLO C=CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCCC1 ZINC000619104298 349120336 /nfs/dbraw/zinc/12/03/36/349120336.db2.gz KHVUVCRPBAJVNY-UHFFFAOYSA-N 1 2 297.362 2.281 20 30 CEEDLO Cc1cc(NC(=O)CNc2ccc(C#N)cc2)cc[nH+]1 ZINC000068350169 362938862 /nfs/dbraw/zinc/93/88/62/362938862.db2.gz VHBIVOJYNCSMDV-UHFFFAOYSA-N 1 2 266.304 2.312 20 30 CEEDLO N#CCCn1ncc2c1nc[nH+]c2NCC1(C(F)F)CC1 ZINC000619499222 349189121 /nfs/dbraw/zinc/18/91/21/349189121.db2.gz 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ZINC000184744913 189395020 /nfs/dbraw/zinc/39/50/20/189395020.db2.gz NOQUSUIJIFWGSB-CQSZACIVSA-N 1 2 294.395 2.290 20 30 CEEDLO N#Cc1cccc(NCc2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000301849164 201231054 /nfs/dbraw/zinc/23/10/54/201231054.db2.gz OKCRVANTLFRGNI-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO C=CCOc1ccc(C(=O)N2CCn3cc(C)[nH+]c3C2)cc1 ZINC000679908980 541332524 /nfs/dbraw/zinc/33/25/24/541332524.db2.gz OJDVKIXFMVRNOV-UHFFFAOYSA-N 1 2 297.358 2.412 20 30 CEEDLO N#CCN1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000092936278 364119800 /nfs/dbraw/zinc/11/98/00/364119800.db2.gz YWZZFVTXQJSNNR-UHFFFAOYSA-N 1 2 298.415 2.451 20 30 CEEDLO N#Cc1csc(C[NH+]2CCC([C@H]3CCCO3)CC2)n1 ZINC000356419109 370702977 /nfs/dbraw/zinc/70/29/77/370702977.db2.gz HCLRHHANGFNZMQ-CYBMUJFWSA-N 1 2 277.393 2.406 20 30 CEEDLO C=C(C)C[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000098068888 364529156 /nfs/dbraw/zinc/52/91/56/364529156.db2.gz GVHMZQFAOJRBEN-UHFFFAOYSA-N 1 2 292.379 2.499 20 30 CEEDLO C=C(C)C[N@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000098068888 364529158 /nfs/dbraw/zinc/52/91/58/364529158.db2.gz GVHMZQFAOJRBEN-UHFFFAOYSA-N 1 2 292.379 2.499 20 30 CEEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCCCNC1=O ZINC000158481460 366856668 /nfs/dbraw/zinc/85/66/68/366856668.db2.gz LZKFEQDUZXYTNF-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H](C)C#N ZINC000098134550 364534775 /nfs/dbraw/zinc/53/47/75/364534775.db2.gz IQCPYYXGPLTFHS-KGLIPLIRSA-N 1 2 267.417 2.361 20 30 CEEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H](C)C#N ZINC000098134550 364534783 /nfs/dbraw/zinc/53/47/83/364534783.db2.gz IQCPYYXGPLTFHS-KGLIPLIRSA-N 1 2 267.417 2.361 20 30 CEEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCCCNC1=O ZINC000158481460 366856672 /nfs/dbraw/zinc/85/66/72/366856672.db2.gz LZKFEQDUZXYTNF-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)o1 ZINC000158532509 366858736 /nfs/dbraw/zinc/85/87/36/366858736.db2.gz BWOIJZBPFBLHFY-UHFFFAOYSA-N 1 2 283.331 2.179 20 30 CEEDLO N#CCN1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000104090052 364676114 /nfs/dbraw/zinc/67/61/14/364676114.db2.gz RYIARUIFRVTOQM-UHFFFAOYSA-N 1 2 283.297 2.347 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000109812598 364719216 /nfs/dbraw/zinc/71/92/16/364719216.db2.gz AUQQTDIRGNRAML-MRXNPFEDSA-N 1 2 290.411 2.057 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000109812598 364719218 /nfs/dbraw/zinc/71/92/18/364719218.db2.gz AUQQTDIRGNRAML-MRXNPFEDSA-N 1 2 290.411 2.057 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000335733472 364903981 /nfs/dbraw/zinc/90/39/81/364903981.db2.gz INGXBNJECBKEMH-IAQYHMDHSA-N 1 2 298.346 2.380 20 30 CEEDLO CC(C)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114495803 364950996 /nfs/dbraw/zinc/95/09/96/364950996.db2.gz GDMFBCILMDSBSL-MRXNPFEDSA-N 1 2 257.381 2.352 20 30 CEEDLO CC(C)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114495803 364951002 /nfs/dbraw/zinc/95/10/02/364951002.db2.gz GDMFBCILMDSBSL-MRXNPFEDSA-N 1 2 257.381 2.352 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118847513 365184979 /nfs/dbraw/zinc/18/49/79/365184979.db2.gz CGELONIDHGYNHG-AWEZNQCLSA-N 1 2 294.424 2.022 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)c1cccc(C#N)c1 ZINC000335975943 365242094 /nfs/dbraw/zinc/24/20/94/365242094.db2.gz DMEYBWFDFIQVFP-UHFFFAOYSA-N 1 2 251.289 2.190 20 30 CEEDLO CC#CC[N@@H+](CCc1ccccc1)CC(=O)OCC ZINC000119791558 365325673 /nfs/dbraw/zinc/32/56/73/365325673.db2.gz QFVZXFLLIAKSTK-UHFFFAOYSA-N 1 2 259.349 2.118 20 30 CEEDLO CC#CC[N@H+](CCc1ccccc1)CC(=O)OCC ZINC000119791558 365325678 /nfs/dbraw/zinc/32/56/78/365325678.db2.gz QFVZXFLLIAKSTK-UHFFFAOYSA-N 1 2 259.349 2.118 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1C ZINC000275711129 193111739 /nfs/dbraw/zinc/11/17/39/193111739.db2.gz RPIZPXICEGJSKZ-GFCCVEGCSA-N 1 2 254.337 2.485 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1C ZINC000275711129 193111741 /nfs/dbraw/zinc/11/17/41/193111741.db2.gz RPIZPXICEGJSKZ-GFCCVEGCSA-N 1 2 254.337 2.485 20 30 CEEDLO C=CCSCC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000275841439 193143603 /nfs/dbraw/zinc/14/36/03/193143603.db2.gz UTKAIZNJGUCUMR-AWEZNQCLSA-N 1 2 297.395 2.419 20 30 CEEDLO N#Cc1cscc1C(=O)NCCCNc1cccc[nH+]1 ZINC000340512306 366915025 /nfs/dbraw/zinc/91/50/25/366915025.db2.gz MAPLSMHFQOQYQH-UHFFFAOYSA-N 1 2 286.360 2.247 20 30 CEEDLO C[N@H+](CC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160501797 367010426 /nfs/dbraw/zinc/01/04/26/367010426.db2.gz SVBGNOVJVNHVPG-FUNVUKJBSA-N 1 2 279.384 2.372 20 30 CEEDLO C[N@@H+](CC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160501797 367010437 /nfs/dbraw/zinc/01/04/37/367010437.db2.gz SVBGNOVJVNHVPG-FUNVUKJBSA-N 1 2 279.384 2.372 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000584061153 367136382 /nfs/dbraw/zinc/13/63/82/367136382.db2.gz CGTFAJLNVFQFMH-CYBMUJFWSA-N 1 2 264.300 2.474 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000245661168 370856109 /nfs/dbraw/zinc/85/61/09/370856109.db2.gz FYLZKWYEFZBICG-ZIAGYGMSSA-N 1 2 288.395 2.083 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245661168 370856112 /nfs/dbraw/zinc/85/61/12/370856112.db2.gz FYLZKWYEFZBICG-ZIAGYGMSSA-N 1 2 288.395 2.083 20 30 CEEDLO CCC[N@H+](CC(=O)NC)Cc1ccc(C#N)cc1Cl ZINC000162885420 367200052 /nfs/dbraw/zinc/20/00/52/367200052.db2.gz VBMONGYJFURANC-UHFFFAOYSA-N 1 2 279.771 2.170 20 30 CEEDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(C#N)cc1Cl ZINC000162885420 367200058 /nfs/dbraw/zinc/20/00/58/367200058.db2.gz VBMONGYJFURANC-UHFFFAOYSA-N 1 2 279.771 2.170 20 30 CEEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)CC#N ZINC000602864490 367217669 /nfs/dbraw/zinc/21/76/69/367217669.db2.gz RQLAVDQQVKKYNP-DGCLKSJQSA-N 1 2 291.420 2.476 20 30 CEEDLO N#Cc1cc(NCc2cn3cc(Cl)ccc3[nH+]2)ccn1 ZINC000341419190 367331444 /nfs/dbraw/zinc/33/14/44/367331444.db2.gz NWORIWQQPGCHTO-UHFFFAOYSA-N 1 2 283.722 2.288 20 30 CEEDLO C=CC[N@H+](Cc1cccs1)C[C@@H](C)CS(C)(=O)=O ZINC000342230088 367396701 /nfs/dbraw/zinc/39/67/01/367396701.db2.gz LUPKUTAYDORUSG-GFCCVEGCSA-N 1 2 287.450 2.417 20 30 CEEDLO C=CC[N@@H+](Cc1cccs1)C[C@@H](C)CS(C)(=O)=O ZINC000342230088 367396704 /nfs/dbraw/zinc/39/67/04/367396704.db2.gz LUPKUTAYDORUSG-GFCCVEGCSA-N 1 2 287.450 2.417 20 30 CEEDLO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)cc(C#N)n1 ZINC000341563172 367369541 /nfs/dbraw/zinc/36/95/41/367369541.db2.gz MIDWKFPXFYYOAE-UHFFFAOYSA-N 1 2 293.374 2.160 20 30 CEEDLO N#CCc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000171064115 367469622 /nfs/dbraw/zinc/46/96/22/367469622.db2.gz WBBDPVLUGJPDBB-UHFFFAOYSA-N 1 2 294.358 2.426 20 30 CEEDLO N#CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171501893 367556494 /nfs/dbraw/zinc/55/64/94/367556494.db2.gz QTVVXNQEQBNLMF-UHFFFAOYSA-N 1 2 268.320 2.296 20 30 CEEDLO C=C(C)COCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631820296 367557731 /nfs/dbraw/zinc/55/77/31/367557731.db2.gz QRORZGIJXASAMR-UHFFFAOYSA-N 1 2 299.374 2.124 20 30 CEEDLO Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)cc(C#N)n1 ZINC000343205163 367704233 /nfs/dbraw/zinc/70/42/33/367704233.db2.gz LNVOBCVDAPHWEK-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO C[N@H+](CC1(C#N)CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000343322467 367755125 /nfs/dbraw/zinc/75/51/25/367755125.db2.gz QLKMVFPUNVTTPR-OAHLLOKOSA-N 1 2 283.375 2.418 20 30 CEEDLO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000343322467 367755126 /nfs/dbraw/zinc/75/51/26/367755126.db2.gz QLKMVFPUNVTTPR-OAHLLOKOSA-N 1 2 283.375 2.418 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343541673 367873152 /nfs/dbraw/zinc/87/31/52/367873152.db2.gz YKESIGVZUQGJMP-CHWSQXEVSA-N 1 2 261.369 2.307 20 30 CEEDLO C=C(C)COCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343694853 367958599 /nfs/dbraw/zinc/95/85/99/367958599.db2.gz FBWWKIGDQXWDOI-AWEZNQCLSA-N 1 2 272.352 2.076 20 30 CEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173929695 367962050 /nfs/dbraw/zinc/96/20/50/367962050.db2.gz SSCRUYJHLRHKGV-LLVKDONJSA-N 1 2 295.433 2.386 20 30 CEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173929695 367962059 /nfs/dbraw/zinc/96/20/59/367962059.db2.gz SSCRUYJHLRHKGV-LLVKDONJSA-N 1 2 295.433 2.386 20 30 CEEDLO C=CCCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343727302 367975870 /nfs/dbraw/zinc/97/58/70/367975870.db2.gz SQUBDVQGCIZGAN-CQSZACIVSA-N 1 2 272.352 2.076 20 30 CEEDLO C=CCCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000175182891 368110213 /nfs/dbraw/zinc/11/02/13/368110213.db2.gz HKVIZGYSAKZBQF-UHFFFAOYSA-N 1 2 257.337 2.349 20 30 CEEDLO C=CCOc1cccc(NC(=O)NCc2[nH+]ccn2C)c1 ZINC000344194037 368113901 /nfs/dbraw/zinc/11/39/01/368113901.db2.gz QQRIGGFHGHKJAE-UHFFFAOYSA-N 1 2 286.335 2.307 20 30 CEEDLO C=CCSCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000180199389 368371875 /nfs/dbraw/zinc/37/18/75/368371875.db2.gz CRZCKHRRDABDPX-MDWZMJQESA-N 1 2 253.323 2.142 20 30 CEEDLO C=CCCN(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000682418424 541661953 /nfs/dbraw/zinc/66/19/53/541661953.db2.gz RBRJFQAZZXWAFB-UHFFFAOYSA-N 1 2 286.379 2.403 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000335491169 212169458 /nfs/dbraw/zinc/16/94/58/212169458.db2.gz LHBUSWFDHCFIFB-CYBMUJFWSA-N 1 2 280.331 2.264 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C)C#N)c1C ZINC000182866585 368596850 /nfs/dbraw/zinc/59/68/50/368596850.db2.gz NQMPNKHFKDVFEF-JTQLQIEISA-N 1 2 290.367 2.008 20 30 CEEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000346317603 368632573 /nfs/dbraw/zinc/63/25/73/368632573.db2.gz JYLQQEBFLHSFKH-ZDUSSCGKSA-N 1 2 297.358 2.460 20 30 CEEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000346317603 368632578 /nfs/dbraw/zinc/63/25/78/368632578.db2.gz JYLQQEBFLHSFKH-ZDUSSCGKSA-N 1 2 297.358 2.460 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184455852 368696442 /nfs/dbraw/zinc/69/64/42/368696442.db2.gz UPUMODCRCHVUEM-SNVBAGLBSA-N 1 2 281.425 2.393 20 30 CEEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000184497656 368699108 /nfs/dbraw/zinc/69/91/08/368699108.db2.gz VXCFJELFRVTHQO-AWEZNQCLSA-N 1 2 293.374 2.231 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185933699 368889510 /nfs/dbraw/zinc/88/95/10/368889510.db2.gz MBLUJPJYGYKSBZ-UONOGXRCSA-N 1 2 273.380 2.379 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000348245059 368966998 /nfs/dbraw/zinc/96/69/98/368966998.db2.gz OKBUKKYPFVYRRS-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000348245059 368967003 /nfs/dbraw/zinc/96/70/03/368967003.db2.gz OKBUKKYPFVYRRS-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000348245064 368967483 /nfs/dbraw/zinc/96/74/83/368967483.db2.gz OKBUKKYPFVYRRS-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000348245064 368967486 /nfs/dbraw/zinc/96/74/86/368967486.db2.gz OKBUKKYPFVYRRS-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000574253711 335004180 /nfs/dbraw/zinc/00/41/80/335004180.db2.gz SHHMPLFUBSSYPH-ZDUSSCGKSA-N 1 2 299.296 2.279 20 30 CEEDLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)no1 ZINC000186593722 369002609 /nfs/dbraw/zinc/00/26/09/369002609.db2.gz WLVUSNLGENIVOO-LBPRGKRZSA-N 1 2 298.346 2.486 20 30 CEEDLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)no1 ZINC000186593722 369002614 /nfs/dbraw/zinc/00/26/14/369002614.db2.gz WLVUSNLGENIVOO-LBPRGKRZSA-N 1 2 298.346 2.486 20 30 CEEDLO CCC[N@H+](CC(=O)NC)Cc1ccc(Cl)cc1C#N ZINC000186719667 369027992 /nfs/dbraw/zinc/02/79/92/369027992.db2.gz KIIPKDMVJGQRMT-UHFFFAOYSA-N 1 2 279.771 2.170 20 30 CEEDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(Cl)cc1C#N ZINC000186719667 369027997 /nfs/dbraw/zinc/02/79/97/369027997.db2.gz KIIPKDMVJGQRMT-UHFFFAOYSA-N 1 2 279.771 2.170 20 30 CEEDLO N#Cc1c(F)cccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000186543202 368992361 /nfs/dbraw/zinc/99/23/61/368992361.db2.gz AFUMKDPGCDNPFD-UHFFFAOYSA-N 1 2 294.289 2.275 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186973098 369078642 /nfs/dbraw/zinc/07/86/42/369078642.db2.gz HDMATGXXFKFLSQ-UHFFFAOYSA-N 1 2 275.377 2.434 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000186973098 369078646 /nfs/dbraw/zinc/07/86/46/369078646.db2.gz HDMATGXXFKFLSQ-UHFFFAOYSA-N 1 2 275.377 2.434 20 30 CEEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccccc1C#N ZINC000187311038 369136146 /nfs/dbraw/zinc/13/61/46/369136146.db2.gz TXFRFUIMFMQJMY-INIZCTEOSA-N 1 2 271.364 2.049 20 30 CEEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccccc1C#N ZINC000187311038 369136151 /nfs/dbraw/zinc/13/61/51/369136151.db2.gz TXFRFUIMFMQJMY-INIZCTEOSA-N 1 2 271.364 2.049 20 30 CEEDLO C=CC[C@H](C)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635578979 369229646 /nfs/dbraw/zinc/22/96/46/369229646.db2.gz ZBWTUHWAGSWZKD-VHSXEESVSA-N 1 2 275.274 2.457 20 30 CEEDLO C=CCCN(C)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635840578 369369989 /nfs/dbraw/zinc/36/99/89/369369989.db2.gz WPMKVGSVGTVNLT-MRXNPFEDSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCCN(C)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635840578 369369992 /nfs/dbraw/zinc/36/99/92/369369992.db2.gz WPMKVGSVGTVNLT-MRXNPFEDSA-N 1 2 288.391 2.304 20 30 CEEDLO Cc1nc(C2([NH2+]Cc3cc(C#N)n(C)c3)CCCC2)no1 ZINC000190917462 369660948 /nfs/dbraw/zinc/66/09/48/369660948.db2.gz BLWJODRZQSMWCU-UHFFFAOYSA-N 1 2 285.351 2.147 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000191137429 369683452 /nfs/dbraw/zinc/68/34/52/369683452.db2.gz LPOJBXDQSGJZMK-GFCCVEGCSA-N 1 2 287.363 2.119 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000191137429 369683455 /nfs/dbraw/zinc/68/34/55/369683455.db2.gz LPOJBXDQSGJZMK-GFCCVEGCSA-N 1 2 287.363 2.119 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccnn1CC ZINC000352351423 369685365 /nfs/dbraw/zinc/68/53/65/369685365.db2.gz XVIAXPKBASKBEO-AWEZNQCLSA-N 1 2 292.427 2.148 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000352351423 369685370 /nfs/dbraw/zinc/68/53/70/369685370.db2.gz XVIAXPKBASKBEO-AWEZNQCLSA-N 1 2 292.427 2.148 20 30 CEEDLO COC(=O)C1([N@H+](C)CC#Cc2ccccc2)CCCC1 ZINC000192117980 369773927 /nfs/dbraw/zinc/77/39/27/369773927.db2.gz HGUFEDFMYQTIOF-UHFFFAOYSA-N 1 2 271.360 2.456 20 30 CEEDLO COC(=O)C1([N@@H+](C)CC#Cc2ccccc2)CCCC1 ZINC000192117980 369773931 /nfs/dbraw/zinc/77/39/31/369773931.db2.gz HGUFEDFMYQTIOF-UHFFFAOYSA-N 1 2 271.360 2.456 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000191656885 369730932 /nfs/dbraw/zinc/73/09/32/369730932.db2.gz YINZSPSWRDTXDS-AWEZNQCLSA-N 1 2 276.336 2.457 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000191656885 369730940 /nfs/dbraw/zinc/73/09/40/369730940.db2.gz YINZSPSWRDTXDS-AWEZNQCLSA-N 1 2 276.336 2.457 20 30 CEEDLO CSc1cc(C[NH2+]Cc2nc(C#N)cs2)ccn1 ZINC000352805027 369885776 /nfs/dbraw/zinc/88/57/76/369885776.db2.gz XTEFVSKFWUIJNP-UHFFFAOYSA-N 1 2 276.390 2.421 20 30 CEEDLO COc1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352838466 369905038 /nfs/dbraw/zinc/90/50/38/369905038.db2.gz FQAZUBOVVAQZIR-UHFFFAOYSA-N 1 2 259.334 2.313 20 30 CEEDLO N#Cc1csc(C[NH2+][C@]2(CO)CCCc3ccccc32)n1 ZINC000352862359 369919922 /nfs/dbraw/zinc/91/99/22/369919922.db2.gz NPOHVFWGDORSCR-INIZCTEOSA-N 1 2 299.399 2.328 20 30 CEEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000353045106 369999879 /nfs/dbraw/zinc/99/98/79/369999879.db2.gz HDNAABRIQMVPTQ-CYBMUJFWSA-N 1 2 256.309 2.126 20 30 CEEDLO C[N@H+](Cc1cnn(CC(F)(F)F)c1)CC(C)(C)C#N ZINC000354043696 370193014 /nfs/dbraw/zinc/19/30/14/370193014.db2.gz ZBFIHEDUVSKSRM-UHFFFAOYSA-N 1 2 274.290 2.427 20 30 CEEDLO C[N@@H+](Cc1cnn(CC(F)(F)F)c1)CC(C)(C)C#N ZINC000354043696 370193017 /nfs/dbraw/zinc/19/30/17/370193017.db2.gz ZBFIHEDUVSKSRM-UHFFFAOYSA-N 1 2 274.290 2.427 20 30 CEEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574375116 335014084 /nfs/dbraw/zinc/01/40/84/335014084.db2.gz PJXBLSYGDBPXHT-UHFFFAOYSA-N 1 2 277.393 2.086 20 30 CEEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000331629077 204025141 /nfs/dbraw/zinc/02/51/41/204025141.db2.gz LCYOZOYZIPHPIQ-ZDUSSCGKSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000331629077 204025144 /nfs/dbraw/zinc/02/51/44/204025144.db2.gz LCYOZOYZIPHPIQ-ZDUSSCGKSA-N 1 2 298.433 2.019 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000683680827 541843639 /nfs/dbraw/zinc/84/36/39/541843639.db2.gz NHPALRNCSVOVFB-INIZCTEOSA-N 1 2 284.403 2.175 20 30 CEEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000358733145 371196060 /nfs/dbraw/zinc/19/60/60/371196060.db2.gz AZDYBJZOFFDHPR-AWEZNQCLSA-N 1 2 263.385 2.376 20 30 CEEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000358733145 371196065 /nfs/dbraw/zinc/19/60/65/371196065.db2.gz AZDYBJZOFFDHPR-AWEZNQCLSA-N 1 2 263.385 2.376 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000249745953 371358202 /nfs/dbraw/zinc/35/82/02/371358202.db2.gz MNWYOELVWRAPMR-HZPDHXFCSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000249745953 371358206 /nfs/dbraw/zinc/35/82/06/371358206.db2.gz MNWYOELVWRAPMR-HZPDHXFCSA-N 1 2 299.374 2.140 20 30 CEEDLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000359986883 371497113 /nfs/dbraw/zinc/49/71/13/371497113.db2.gz TYAOKNCYDYVUCF-GFCCVEGCSA-N 1 2 282.347 2.054 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000359998571 371497976 /nfs/dbraw/zinc/49/79/76/371497976.db2.gz DQAGHSPZVYFDFT-STQMWFEESA-N 1 2 282.347 2.063 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC=C(C)C1 ZINC000280788689 284294419 /nfs/dbraw/zinc/29/44/19/284294419.db2.gz JGLLRBOFFINZPF-HNNXBMFYSA-N 1 2 270.332 2.424 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC=C(C)C1 ZINC000280788689 284294421 /nfs/dbraw/zinc/29/44/21/284294421.db2.gz JGLLRBOFFINZPF-HNNXBMFYSA-N 1 2 270.332 2.424 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000249900992 261260557 /nfs/dbraw/zinc/26/05/57/261260557.db2.gz SYRXAHIDJNLPSS-UONOGXRCSA-N 1 2 290.411 2.199 20 30 CEEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000264688116 372001402 /nfs/dbraw/zinc/00/14/02/372001402.db2.gz YQPTXMJGZANRCM-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000264186532 371984378 /nfs/dbraw/zinc/98/43/78/371984378.db2.gz CZZOXYQMEWSMQD-GFCCVEGCSA-N 1 2 287.363 2.309 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@H](C)C#N)cc1 ZINC000264186532 371984382 /nfs/dbraw/zinc/98/43/82/371984382.db2.gz CZZOXYQMEWSMQD-GFCCVEGCSA-N 1 2 287.363 2.309 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361748543 372052710 /nfs/dbraw/zinc/05/27/10/372052710.db2.gz BHJQXXGMKIAWGM-ABAIWWIYSA-N 1 2 290.338 2.471 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361748543 372052712 /nfs/dbraw/zinc/05/27/12/372052712.db2.gz BHJQXXGMKIAWGM-ABAIWWIYSA-N 1 2 290.338 2.471 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCC[C@H](C)C2)nn1 ZINC000641088676 372304477 /nfs/dbraw/zinc/30/44/77/372304477.db2.gz ONTKABLIXSDNJS-KBPBESRZSA-N 1 2 260.385 2.217 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000364746882 372794216 /nfs/dbraw/zinc/79/42/16/372794216.db2.gz UVVXWCWEHSNMIO-HNNXBMFYSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000364746882 372794221 /nfs/dbraw/zinc/79/42/21/372794221.db2.gz UVVXWCWEHSNMIO-HNNXBMFYSA-N 1 2 280.412 2.054 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366770415 373122960 /nfs/dbraw/zinc/12/29/60/373122960.db2.gz QFQQDCAWVWFKOZ-IOASZLSFSA-N 1 2 290.363 2.310 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366770415 373122962 /nfs/dbraw/zinc/12/29/62/373122962.db2.gz QFQQDCAWVWFKOZ-IOASZLSFSA-N 1 2 290.363 2.310 20 30 CEEDLO C#CCOc1ccc(C[N@@H+](C)Cc2nccn2C)cc1 ZINC000272768481 373649167 /nfs/dbraw/zinc/64/91/67/373649167.db2.gz MNKBGMZJXXZACC-UHFFFAOYSA-N 1 2 269.348 2.064 20 30 CEEDLO C#CCOc1ccc(C[N@H+](C)Cc2nccn2C)cc1 ZINC000272768481 373649170 /nfs/dbraw/zinc/64/91/70/373649170.db2.gz MNKBGMZJXXZACC-UHFFFAOYSA-N 1 2 269.348 2.064 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000274033345 373788277 /nfs/dbraw/zinc/78/82/77/373788277.db2.gz DOVCATQYBOYIIK-NSHDSACASA-N 1 2 262.378 2.023 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)C1CC1 ZINC000274033345 373788284 /nfs/dbraw/zinc/78/82/84/373788284.db2.gz DOVCATQYBOYIIK-NSHDSACASA-N 1 2 262.378 2.023 20 30 CEEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000274303536 373872477 /nfs/dbraw/zinc/87/24/77/373872477.db2.gz OKTSXHGFFBBLBY-LBPRGKRZSA-N 1 2 299.403 2.293 20 30 CEEDLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371785964 373979519 /nfs/dbraw/zinc/97/95/19/373979519.db2.gz XMFRCMWVTHQBCH-HZPDHXFCSA-N 1 2 285.391 2.283 20 30 CEEDLO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371785964 373979525 /nfs/dbraw/zinc/97/95/25/373979525.db2.gz XMFRCMWVTHQBCH-HZPDHXFCSA-N 1 2 285.391 2.283 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000275035466 374134102 /nfs/dbraw/zinc/13/41/02/374134102.db2.gz WYYUPFZNZGRCAS-SWLSCSKDSA-N 1 2 272.348 2.332 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000275035466 374134106 /nfs/dbraw/zinc/13/41/06/374134106.db2.gz WYYUPFZNZGRCAS-SWLSCSKDSA-N 1 2 272.348 2.332 20 30 CEEDLO N#Cc1cnccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373448283 374355312 /nfs/dbraw/zinc/35/53/12/374355312.db2.gz KONDVBOAXHOXLA-UHFFFAOYSA-N 1 2 253.309 2.060 20 30 CEEDLO N#Cc1cnccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000373448283 374355317 /nfs/dbraw/zinc/35/53/17/374355317.db2.gz KONDVBOAXHOXLA-UHFFFAOYSA-N 1 2 253.309 2.060 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000373662975 374401582 /nfs/dbraw/zinc/40/15/82/374401582.db2.gz MULGURCRZRBWIL-PBHICJAKSA-N 1 2 285.391 2.026 20 30 CEEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000373566745 374382525 /nfs/dbraw/zinc/38/25/25/374382525.db2.gz FEMCQEWVJNIYQC-KBPBESRZSA-N 1 2 286.379 2.034 20 30 CEEDLO CN(C)c1noc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC000373827248 374427312 /nfs/dbraw/zinc/42/73/12/374427312.db2.gz SUBKQJZUPIXXKQ-CQSZACIVSA-N 1 2 297.362 2.344 20 30 CEEDLO CN(C)c1noc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC000373827248 374427318 /nfs/dbraw/zinc/42/73/18/374427318.db2.gz SUBKQJZUPIXXKQ-CQSZACIVSA-N 1 2 297.362 2.344 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000373904501 374446001 /nfs/dbraw/zinc/44/60/01/374446001.db2.gz OQOVWOWFJQCLBN-CYBMUJFWSA-N 1 2 284.319 2.171 20 30 CEEDLO C=CC[C@H]1N(C(=O)Cn2cc[nH+]c2)CCCC1(C)C ZINC000277912480 374681268 /nfs/dbraw/zinc/68/12/68/374681268.db2.gz GVYXUFUYNCFESK-CYBMUJFWSA-N 1 2 261.369 2.476 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(C(C)C)c2)n1 ZINC000279418592 374867345 /nfs/dbraw/zinc/86/73/45/374867345.db2.gz OQDZZSQRBKMJIT-UHFFFAOYSA-N 1 2 285.395 2.316 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(C(C)C)c2)n1 ZINC000279418592 374867349 /nfs/dbraw/zinc/86/73/49/374867349.db2.gz OQDZZSQRBKMJIT-UHFFFAOYSA-N 1 2 285.395 2.316 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000280769337 375315307 /nfs/dbraw/zinc/31/53/07/375315307.db2.gz VJSMOOXYTUWWCW-TZMCWYRMSA-N 1 2 275.352 2.493 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC=C(C)C2)c(C#N)c1C ZINC000280814034 375332178 /nfs/dbraw/zinc/33/21/78/375332178.db2.gz MNKGASIUXBYQMD-UHFFFAOYSA-N 1 2 273.336 2.359 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CCC=C(C)C2)c(C#N)c1C ZINC000280814034 375332184 /nfs/dbraw/zinc/33/21/84/375332184.db2.gz MNKGASIUXBYQMD-UHFFFAOYSA-N 1 2 273.336 2.359 20 30 CEEDLO C[N@@H+]1CCO[C@@H](CSc2nccc(C#N)c2Cl)C1 ZINC000400764752 375373246 /nfs/dbraw/zinc/37/32/46/375373246.db2.gz JTZHCVHQDWCFNP-SNVBAGLBSA-N 1 2 283.784 2.029 20 30 CEEDLO C[N@H+]1CCO[C@@H](CSc2nccc(C#N)c2Cl)C1 ZINC000400764752 375373257 /nfs/dbraw/zinc/37/32/57/375373257.db2.gz JTZHCVHQDWCFNP-SNVBAGLBSA-N 1 2 283.784 2.029 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)ccc2F)C1=O ZINC000281351823 375374789 /nfs/dbraw/zinc/37/47/89/375374789.db2.gz UFABFPIHNRVWGL-HNNXBMFYSA-N 1 2 276.355 2.353 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2F)C1=O ZINC000281351823 375374794 /nfs/dbraw/zinc/37/47/94/375374794.db2.gz UFABFPIHNRVWGL-HNNXBMFYSA-N 1 2 276.355 2.353 20 30 CEEDLO Cc1ccc2c(cccc2OC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000414152077 375798465 /nfs/dbraw/zinc/79/84/65/375798465.db2.gz QOMIQKGZEDZZAX-CQSZACIVSA-N 1 2 299.374 2.128 20 30 CEEDLO Cc1ccc2c(cccc2OC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000414152077 375798468 /nfs/dbraw/zinc/79/84/68/375798468.db2.gz QOMIQKGZEDZZAX-CQSZACIVSA-N 1 2 299.374 2.128 20 30 CEEDLO C[C@@H]1CCN(c2ccnc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000287865100 376330979 /nfs/dbraw/zinc/33/09/79/376330979.db2.gz NCGPRPGOPSJUTP-IUODEOHRSA-N 1 2 267.336 2.237 20 30 CEEDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)cc1 ZINC000287707383 376298012 /nfs/dbraw/zinc/29/80/12/376298012.db2.gz UTOCMYNUPGTGGL-NSHDSACASA-N 1 2 268.320 2.091 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1nc2ccccn2c1Br ZINC000289577817 376407527 /nfs/dbraw/zinc/40/75/27/376407527.db2.gz SXXTUZBPGHGTQG-VIFPVBQESA-N 1 2 278.153 2.208 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000289382083 376393745 /nfs/dbraw/zinc/39/37/45/376393745.db2.gz MOMFDBZBKYBFGF-MRVPVSSYSA-N 1 2 284.153 2.275 20 30 CEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)Cc1c[nH+]cn1C ZINC000556834508 376500671 /nfs/dbraw/zinc/50/06/71/376500671.db2.gz URWGXJWPEBDADS-OAHLLOKOSA-N 1 2 283.375 2.266 20 30 CEEDLO N#Cc1ccnc(NCc2ccc(N)[nH+]c2)c1Cl ZINC000308391402 376580830 /nfs/dbraw/zinc/58/08/30/376580830.db2.gz MFHCILOBWCWASF-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO C[C@@H]1CCN(c2cccnc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000290535608 376824726 /nfs/dbraw/zinc/82/47/26/376824726.db2.gz DRVQRVTXVHAJAP-IUODEOHRSA-N 1 2 267.336 2.237 20 30 CEEDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCOCC1 ZINC000328796491 376899614 /nfs/dbraw/zinc/89/96/14/376899614.db2.gz UUKXXRVEJSGLOZ-NSHDSACASA-N 1 2 265.357 2.124 20 30 CEEDLO N#C[C@@H]1CC[C@@H](Nc2cccc(CN3CCOCC3)[nH+]2)C1 ZINC000562463597 376902359 /nfs/dbraw/zinc/90/23/59/376902359.db2.gz WJWUQDONKRUTQV-ZIAGYGMSSA-N 1 2 286.379 2.018 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC1CC(C)C1)CCC2 ZINC000328702111 376881843 /nfs/dbraw/zinc/88/18/43/376881843.db2.gz JMRXBCBMFSPIJE-YXMLORGKSA-N 1 2 276.384 2.371 20 30 CEEDLO N#Cc1cc(Oc2cccc(-n3cc[nH+]c3)c2)ncn1 ZINC000562441044 376893751 /nfs/dbraw/zinc/89/37/51/376893751.db2.gz OVMVUZIYGIMGOH-UHFFFAOYSA-N 1 2 263.260 2.326 20 30 CEEDLO CCc1nn(C)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328783409 376896628 /nfs/dbraw/zinc/89/66/28/376896628.db2.gz JXFRIFAOPOKFNQ-SNVBAGLBSA-N 1 2 273.340 2.030 20 30 CEEDLO C[C@@H]1C[C@H](CNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000328857074 376910750 /nfs/dbraw/zinc/91/07/50/376910750.db2.gz ULMMWQLLOAEHQT-VXGBXAGGSA-N 1 2 265.357 2.124 20 30 CEEDLO C[C@](C#N)(NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000329274673 376936441 /nfs/dbraw/zinc/93/64/41/376936441.db2.gz ILUNFGUOVJXGKX-IUODEOHRSA-N 1 2 287.367 2.195 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc2c1OCO2)[NH+]1CCSCC1 ZINC000329291680 376940266 /nfs/dbraw/zinc/94/02/66/376940266.db2.gz ITOSUDJVUJAGTH-JTQLQIEISA-N 1 2 294.376 2.441 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329462822 376964537 /nfs/dbraw/zinc/96/45/37/376964537.db2.gz QGYHNHWUSNDPOE-JTQLQIEISA-N 1 2 281.381 2.232 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCOCC2(CC2)C1 ZINC000329462822 376964543 /nfs/dbraw/zinc/96/45/43/376964543.db2.gz QGYHNHWUSNDPOE-JTQLQIEISA-N 1 2 281.381 2.232 20 30 CEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000290983556 377015291 /nfs/dbraw/zinc/01/52/91/377015291.db2.gz YXDQWRHZQIGFDW-BBRMVZONSA-N 1 2 291.395 2.284 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000562774365 376996709 /nfs/dbraw/zinc/99/67/09/376996709.db2.gz FRNCTNRTKIMAMY-QGZVFWFLSA-N 1 2 272.392 2.455 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000562774365 376996718 /nfs/dbraw/zinc/99/67/18/376996718.db2.gz FRNCTNRTKIMAMY-QGZVFWFLSA-N 1 2 272.392 2.455 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2ccoc2c1 ZINC000563009302 377058094 /nfs/dbraw/zinc/05/80/94/377058094.db2.gz LCRZXZZISQBUCB-CQSZACIVSA-N 1 2 273.336 2.051 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2ccoc2c1 ZINC000563009302 377058100 /nfs/dbraw/zinc/05/81/00/377058100.db2.gz LCRZXZZISQBUCB-CQSZACIVSA-N 1 2 273.336 2.051 20 30 CEEDLO N#Cc1c2c(cnc1N1CCC[C@@H]1Cn1cc[nH+]c1)CCC2 ZINC000563019116 377062074 /nfs/dbraw/zinc/06/20/74/377062074.db2.gz BFUMJXLIYBITAH-CQSZACIVSA-N 1 2 293.374 2.307 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000330199338 377066777 /nfs/dbraw/zinc/06/67/77/377066777.db2.gz VGYCEDHVCIQREK-JHJVBQTASA-N 1 2 276.384 2.232 20 30 CEEDLO C[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000330199338 377066784 /nfs/dbraw/zinc/06/67/84/377066784.db2.gz VGYCEDHVCIQREK-JHJVBQTASA-N 1 2 276.384 2.232 20 30 CEEDLO N#C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC000330264810 377078643 /nfs/dbraw/zinc/07/86/43/377078643.db2.gz YJFVITJGSVHJSU-QLFBSQMISA-N 1 2 269.348 2.344 20 30 CEEDLO N#C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC000330264810 377078650 /nfs/dbraw/zinc/07/86/50/377078650.db2.gz YJFVITJGSVHJSU-QLFBSQMISA-N 1 2 269.348 2.344 20 30 CEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000330269269 377082049 /nfs/dbraw/zinc/08/20/49/377082049.db2.gz JEVMEXFIEPFQGZ-ZDUSSCGKSA-N 1 2 282.347 2.175 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563200318 377124213 /nfs/dbraw/zinc/12/42/13/377124213.db2.gz PCOZTZNWYQNCES-GFCCVEGCSA-N 1 2 261.369 2.164 20 30 CEEDLO COCC[C@@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000291126415 377082951 /nfs/dbraw/zinc/08/29/51/377082951.db2.gz BHCPWJZUBOGHEI-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO COCC[C@@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000291126415 377082955 /nfs/dbraw/zinc/08/29/55/377082955.db2.gz BHCPWJZUBOGHEI-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291260678 377146489 /nfs/dbraw/zinc/14/64/89/377146489.db2.gz MXQURNMDOIWOHH-CYBMUJFWSA-N 1 2 266.291 2.008 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291260678 377146495 /nfs/dbraw/zinc/14/64/95/377146495.db2.gz MXQURNMDOIWOHH-CYBMUJFWSA-N 1 2 266.291 2.008 20 30 CEEDLO CC[N@H+](C[C@H](C)OC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000291350119 377186107 /nfs/dbraw/zinc/18/61/07/377186107.db2.gz XUJFKYNXCQIYNP-SWLSCSKDSA-N 1 2 290.363 2.129 20 30 CEEDLO CC[N@@H+](C[C@H](C)OC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000291350119 377186115 /nfs/dbraw/zinc/18/61/15/377186115.db2.gz XUJFKYNXCQIYNP-SWLSCSKDSA-N 1 2 290.363 2.129 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)NCCCCC#N)ccn12 ZINC000564665412 377427643 /nfs/dbraw/zinc/42/76/43/377427643.db2.gz JWVFDSHQZZRSGC-UHFFFAOYSA-N 1 2 256.309 2.066 20 30 CEEDLO C=CCOc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000564737821 377443975 /nfs/dbraw/zinc/44/39/75/377443975.db2.gz NXBVRBHYWUMPMX-CYBMUJFWSA-N 1 2 299.374 2.470 20 30 CEEDLO C=CCOc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000564737821 377443980 /nfs/dbraw/zinc/44/39/80/377443980.db2.gz NXBVRBHYWUMPMX-CYBMUJFWSA-N 1 2 299.374 2.470 20 30 CEEDLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331537265 377465052 /nfs/dbraw/zinc/46/50/52/377465052.db2.gz LPVHQWDGZSUMFO-DYVFJYSZSA-N 1 2 294.358 2.483 20 30 CEEDLO C[C@H](c1cnccn1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331537265 377465056 /nfs/dbraw/zinc/46/50/56/377465056.db2.gz LPVHQWDGZSUMFO-DYVFJYSZSA-N 1 2 294.358 2.483 20 30 CEEDLO CC(=O)c1ccc(C#N)cc1N(C)Cc1[nH]cc[nH+]1 ZINC000428119823 377484314 /nfs/dbraw/zinc/48/43/14/377484314.db2.gz JHESRLNMOUFFKU-UHFFFAOYSA-N 1 2 254.293 2.120 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429700989 377520539 /nfs/dbraw/zinc/52/05/39/377520539.db2.gz STGALNVQEYERCX-INMHGKMJSA-N 1 2 284.407 2.452 20 30 CEEDLO CCN1CC[N@H+](Cc2ccccc2C#N)C[C@H]1c1ncc[nH]1 ZINC000332317724 377566649 /nfs/dbraw/zinc/56/66/49/377566649.db2.gz KRSGTYWNMRKPLD-INIZCTEOSA-N 1 2 295.390 2.160 20 30 CEEDLO CCN1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1c1ncc[nH]1 ZINC000332317724 377566653 /nfs/dbraw/zinc/56/66/53/377566653.db2.gz KRSGTYWNMRKPLD-INIZCTEOSA-N 1 2 295.390 2.160 20 30 CEEDLO COc1ccc(-n2cc(C[NH2+]CC3(C#N)CC3)cn2)cc1 ZINC000565932392 377707722 /nfs/dbraw/zinc/70/77/22/377707722.db2.gz GZTKHUUFJYMXHG-UHFFFAOYSA-N 1 2 282.347 2.274 20 30 CEEDLO C[N@H+](CC(=O)N1CCc2sccc2C1)CC(C)(C)C#N ZINC000433297820 377785533 /nfs/dbraw/zinc/78/55/33/377785533.db2.gz MMSRFPSZTQXFLK-UHFFFAOYSA-N 1 2 291.420 2.114 20 30 CEEDLO C[N@@H+](CC(=O)N1CCc2sccc2C1)CC(C)(C)C#N ZINC000433297820 377785537 /nfs/dbraw/zinc/78/55/37/377785537.db2.gz MMSRFPSZTQXFLK-UHFFFAOYSA-N 1 2 291.420 2.114 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)CC(C)(C)C#N ZINC000433287066 377783511 /nfs/dbraw/zinc/78/35/11/377783511.db2.gz KQUSSJSZVWTMJJ-CQSZACIVSA-N 1 2 299.418 2.441 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)CC(C)(C)C#N ZINC000433287066 377783518 /nfs/dbraw/zinc/78/35/18/377783518.db2.gz KQUSSJSZVWTMJJ-CQSZACIVSA-N 1 2 299.418 2.441 20 30 CEEDLO Cn1ncc(C[N@H+](C)CC(C)(C)C#N)c1C(F)(F)F ZINC000433301082 377784680 /nfs/dbraw/zinc/78/46/80/377784680.db2.gz VAOOUSTXXINEKI-UHFFFAOYSA-N 1 2 274.290 2.420 20 30 CEEDLO Cn1ncc(C[N@@H+](C)CC(C)(C)C#N)c1C(F)(F)F ZINC000433301082 377784688 /nfs/dbraw/zinc/78/46/88/377784688.db2.gz VAOOUSTXXINEKI-UHFFFAOYSA-N 1 2 274.290 2.420 20 30 CEEDLO Cc1nnc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)c1C ZINC000333694856 377829640 /nfs/dbraw/zinc/82/96/40/377829640.db2.gz MZJXPXSTUAZIFC-UFBFGSQYSA-N 1 2 268.324 2.280 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(O)c2Cl)C1=O ZINC000294729405 378015909 /nfs/dbraw/zinc/01/59/09/378015909.db2.gz PXKZYNUNEOCODV-GFCCVEGCSA-N 1 2 294.782 2.264 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)C1=O ZINC000294729405 378015912 /nfs/dbraw/zinc/01/59/12/378015912.db2.gz PXKZYNUNEOCODV-GFCCVEGCSA-N 1 2 294.782 2.264 20 30 CEEDLO CC[C@H](NC(=O)c1ccc(CC#N)cc1)c1[nH]cc[nH+]1 ZINC000442805255 378000587 /nfs/dbraw/zinc/00/05/87/378000587.db2.gz XYVDNIRMKXVGPQ-ZDUSSCGKSA-N 1 2 268.320 2.357 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C#N)cc1C ZINC000295813444 378314330 /nfs/dbraw/zinc/31/43/30/378314330.db2.gz STJRDSFELKSIFS-UHFFFAOYSA-N 1 2 268.320 2.013 20 30 CEEDLO C=CC[N@H+](Cc1cccs1)C[C@@H](C)S(C)(=O)=O ZINC000450220638 378320927 /nfs/dbraw/zinc/32/09/27/378320927.db2.gz JTVIXZVSTGAWTA-LLVKDONJSA-N 1 2 273.423 2.169 20 30 CEEDLO C=CC[N@@H+](Cc1cccs1)C[C@@H](C)S(C)(=O)=O ZINC000450220638 378320933 /nfs/dbraw/zinc/32/09/33/378320933.db2.gz JTVIXZVSTGAWTA-LLVKDONJSA-N 1 2 273.423 2.169 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CCC1 ZINC000450404023 378397087 /nfs/dbraw/zinc/39/70/87/378397087.db2.gz MBPUQZJQNYBQBP-CQSZACIVSA-N 1 2 287.363 2.054 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CCC1 ZINC000450404023 378397095 /nfs/dbraw/zinc/39/70/95/378397095.db2.gz MBPUQZJQNYBQBP-CQSZACIVSA-N 1 2 287.363 2.054 20 30 CEEDLO C#CCO[C@@H](C)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000295994107 378385187 /nfs/dbraw/zinc/38/51/87/378385187.db2.gz NVIQQKZYFNYQGN-NSHDSACASA-N 1 2 282.303 2.019 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000296172828 378440965 /nfs/dbraw/zinc/44/09/65/378440965.db2.gz BMUAYWUIPGQFCI-LBPRGKRZSA-N 1 2 297.362 2.335 20 30 CEEDLO C#CCn1ccc(CN(CC)C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000278708128 194113899 /nfs/dbraw/zinc/11/38/99/194113899.db2.gz HUZWSIWFXVOYTI-UHFFFAOYSA-N 1 2 297.362 2.274 20 30 CEEDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000299629704 379078758 /nfs/dbraw/zinc/07/87/58/379078758.db2.gz SAPSKIJIWJRMAE-GFCCVEGCSA-N 1 2 268.320 2.022 20 30 CEEDLO Cc1cc(C)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000516071547 379256438 /nfs/dbraw/zinc/25/64/38/379256438.db2.gz LMTQYHINUWZECK-KRWDZBQOSA-N 1 2 287.407 2.114 20 30 CEEDLO C[C@H](CC(=O)Nc1sccc1C#N)n1cc[nH+]c1 ZINC000516297842 379274371 /nfs/dbraw/zinc/27/43/71/379274371.db2.gz QHFVWVLHRNMNOK-SECBINFHSA-N 1 2 260.322 2.406 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000278931368 194217784 /nfs/dbraw/zinc/21/77/84/194217784.db2.gz MOOIVUHOIFTZQA-CQSZACIVSA-N 1 2 296.798 2.262 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000278931368 194217785 /nfs/dbraw/zinc/21/77/85/194217785.db2.gz MOOIVUHOIFTZQA-CQSZACIVSA-N 1 2 296.798 2.262 20 30 CEEDLO CC(C)N1C(=O)C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000353700388 220267656 /nfs/dbraw/zinc/26/76/56/220267656.db2.gz WOIBOKCZKPLICI-UHFFFAOYSA-N 1 2 291.420 2.451 20 30 CEEDLO CC(C)N1C(=O)C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000353700388 220267658 /nfs/dbraw/zinc/26/76/58/220267658.db2.gz WOIBOKCZKPLICI-UHFFFAOYSA-N 1 2 291.420 2.451 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000267059485 190300746 /nfs/dbraw/zinc/30/07/46/190300746.db2.gz GNZJGIGUGXTAFJ-UHFFFAOYSA-N 1 2 273.380 2.082 20 30 CEEDLO CO[C@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@@H]1OC ZINC000488059516 380090277 /nfs/dbraw/zinc/09/02/77/380090277.db2.gz BVXWRRMEJJAVQX-GJZGRUSLSA-N 1 2 279.767 2.037 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000528656801 380044163 /nfs/dbraw/zinc/04/41/63/380044163.db2.gz TVMFHSWTYSPGEY-UHFFFAOYSA-N 1 2 276.384 2.485 20 30 CEEDLO COCc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C#N ZINC000529813959 380187382 /nfs/dbraw/zinc/18/73/82/380187382.db2.gz GELYYHAGETUNDM-GFCCVEGCSA-N 1 2 298.346 2.491 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000540533301 380253609 /nfs/dbraw/zinc/25/36/09/380253609.db2.gz XJUYKFKRLVOACV-GFCCVEGCSA-N 1 2 285.351 2.137 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(CC#N)CC2)n1C1CC1 ZINC000542878304 380320395 /nfs/dbraw/zinc/32/03/95/380320395.db2.gz GHHNAGPMRZMBRG-UHFFFAOYSA-N 1 2 259.357 2.047 20 30 CEEDLO C#CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000491777752 380349035 /nfs/dbraw/zinc/34/90/35/380349035.db2.gz HSTRREGBRGGKGI-UHFFFAOYSA-N 1 2 295.379 2.087 20 30 CEEDLO C#CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000491777752 380349041 /nfs/dbraw/zinc/34/90/41/380349041.db2.gz HSTRREGBRGGKGI-UHFFFAOYSA-N 1 2 295.379 2.087 20 30 CEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(Cl)c1 ZINC000334429219 380399782 /nfs/dbraw/zinc/39/97/82/380399782.db2.gz YSHPHPSDUPUAKJ-RYUDHWBXSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(Cl)c1 ZINC000334429219 380399786 /nfs/dbraw/zinc/39/97/86/380399786.db2.gz YSHPHPSDUPUAKJ-RYUDHWBXSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1cscc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334474165 380462803 /nfs/dbraw/zinc/46/28/03/380462803.db2.gz MHRYWRNSDNAVRE-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO Cn1c2c(cccc2F)[nH+]c1N1CCC(C#N)CC1 ZINC000334554853 380583065 /nfs/dbraw/zinc/58/30/65/380583065.db2.gz DXRHCBQBYPDFIR-UHFFFAOYSA-N 1 2 258.300 2.452 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000550316058 380622953 /nfs/dbraw/zinc/62/29/53/380622953.db2.gz QJFKQHLCRWMCDW-QWRGUYRKSA-N 1 2 258.321 2.185 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000550316058 380622959 /nfs/dbraw/zinc/62/29/59/380622959.db2.gz QJFKQHLCRWMCDW-QWRGUYRKSA-N 1 2 258.321 2.185 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000554869751 380799771 /nfs/dbraw/zinc/79/97/71/380799771.db2.gz ISOGIPMCPVZRCC-ZIAGYGMSSA-N 1 2 269.385 2.025 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC1CCC(C#N)CC1 ZINC000493594684 381078458 /nfs/dbraw/zinc/07/84/58/381078458.db2.gz YYVJMPBMMCTMLD-FPLPWBNLSA-N 1 2 286.379 2.362 20 30 CEEDLO Cc1cc(C)cc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493692901 381132596 /nfs/dbraw/zinc/13/25/96/381132596.db2.gz MQWJLQZMLJBTKM-DKRLNXSXSA-N 1 2 285.391 2.277 20 30 CEEDLO CO[C@@H](C)c1noc(C[N@H+](C)CCC(C)(C)C#N)n1 ZINC000336798201 262396950 /nfs/dbraw/zinc/39/69/50/262396950.db2.gz DBYHPVZYMVMIDR-JTQLQIEISA-N 1 2 266.345 2.149 20 30 CEEDLO CO[C@@H](C)c1noc(C[N@@H+](C)CCC(C)(C)C#N)n1 ZINC000336798201 262396951 /nfs/dbraw/zinc/39/69/51/262396951.db2.gz DBYHPVZYMVMIDR-JTQLQIEISA-N 1 2 266.345 2.149 20 30 CEEDLO Cc1noc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000246501124 394516747 /nfs/dbraw/zinc/51/67/47/394516747.db2.gz BQHBWVIUXWYXBW-OLZOCXBDSA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1noc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000246501124 394516752 /nfs/dbraw/zinc/51/67/52/394516752.db2.gz BQHBWVIUXWYXBW-OLZOCXBDSA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1cncc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000329489243 394566626 /nfs/dbraw/zinc/56/66/26/394566626.db2.gz USKLNQGGLLFCSC-LLVKDONJSA-N 1 2 256.309 2.437 20 30 CEEDLO COc1cccc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000329490743 394566997 /nfs/dbraw/zinc/56/69/97/394566997.db2.gz YXTNTVPPVGDDJH-UHFFFAOYSA-N 1 2 290.363 2.396 20 30 CEEDLO COc1cccc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000329490743 394566999 /nfs/dbraw/zinc/56/69/99/394566999.db2.gz YXTNTVPPVGDDJH-UHFFFAOYSA-N 1 2 290.363 2.396 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1snnc1C1CC1 ZINC000329581776 394574512 /nfs/dbraw/zinc/57/45/12/394574512.db2.gz QDQJXGLUBWLGJL-MRVPVSSYSA-N 1 2 289.364 2.001 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1snnc1C1CC1 ZINC000329581776 394574514 /nfs/dbraw/zinc/57/45/14/394574514.db2.gz QDQJXGLUBWLGJL-MRVPVSSYSA-N 1 2 289.364 2.001 20 30 CEEDLO Cc1noc(C2CC2)c1[NH+]=C([O-])N[C@H](C)Cn1cc[nH+]c1 ZINC000329635513 394578246 /nfs/dbraw/zinc/57/82/46/394578246.db2.gz XQRPKXLZWUFSBG-SECBINFHSA-N 1 2 289.339 2.472 20 30 CEEDLO O=C(NC[C@@H]1CCCS1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329767877 394584383 /nfs/dbraw/zinc/58/43/83/394584383.db2.gz FXOMEFUADIFILM-RYUDHWBXSA-N 1 2 294.424 2.399 20 30 CEEDLO Cc1noc(C2CC2)c1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000329804255 394586539 /nfs/dbraw/zinc/58/65/39/394586539.db2.gz LVBRCCKSFRVCMS-UHFFFAOYSA-N 1 2 289.339 2.271 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413278454 394517712 /nfs/dbraw/zinc/51/77/12/394517712.db2.gz YWONKUIGTIPLLR-MNOVXSKESA-N 1 2 250.346 2.036 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413278454 394517715 /nfs/dbraw/zinc/51/77/15/394517715.db2.gz YWONKUIGTIPLLR-MNOVXSKESA-N 1 2 250.346 2.036 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355761812 394524076 /nfs/dbraw/zinc/52/40/76/394524076.db2.gz CGXWNHYKHCYHOO-GOEBONIOSA-N 1 2 294.439 2.491 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355761812 394524080 /nfs/dbraw/zinc/52/40/80/394524080.db2.gz CGXWNHYKHCYHOO-GOEBONIOSA-N 1 2 294.439 2.491 20 30 CEEDLO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000355785671 394531110 /nfs/dbraw/zinc/53/11/10/394531110.db2.gz APROKNNOLIRFNC-ZDUSSCGKSA-N 1 2 288.738 2.377 20 30 CEEDLO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000355785671 394531112 /nfs/dbraw/zinc/53/11/12/394531112.db2.gz APROKNNOLIRFNC-ZDUSSCGKSA-N 1 2 288.738 2.377 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCS1 ZINC000328917996 394556552 /nfs/dbraw/zinc/55/65/52/394556552.db2.gz BCPLOSOSXHILER-KCJUWKMLSA-N 1 2 251.355 2.119 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCS1 ZINC000328917996 394556557 /nfs/dbraw/zinc/55/65/57/394556557.db2.gz BCPLOSOSXHILER-KCJUWKMLSA-N 1 2 251.355 2.119 20 30 CEEDLO CCC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC000328912074 394556592 /nfs/dbraw/zinc/55/65/92/394556592.db2.gz OSLNSKQHUQHKDM-LBPRGKRZSA-N 1 2 277.368 2.361 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)COC2 ZINC000328928825 394557122 /nfs/dbraw/zinc/55/71/22/394557122.db2.gz GVIFGSPTVABIJW-CYBMUJFWSA-N 1 2 283.331 2.302 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)COC2 ZINC000328928825 394557125 /nfs/dbraw/zinc/55/71/25/394557125.db2.gz GVIFGSPTVABIJW-CYBMUJFWSA-N 1 2 283.331 2.302 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(C(F)F)CC2)C1 ZINC000329919421 394595219 /nfs/dbraw/zinc/59/52/19/394595219.db2.gz DFWXAWWHPCGROH-SNVBAGLBSA-N 1 2 298.337 2.169 20 30 CEEDLO CC[C@H](NC(=O)Nc1cc[nH+]c(C)c1)C1CCOCC1 ZINC000330572487 394619803 /nfs/dbraw/zinc/61/98/03/394619803.db2.gz GABCZQDVEKWDSG-AWEZNQCLSA-N 1 2 277.368 2.343 20 30 CEEDLO C=C1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000264485837 394640465 /nfs/dbraw/zinc/64/04/65/394640465.db2.gz RIJHYZLTAFWVDN-UHFFFAOYSA-N 1 2 269.348 2.086 20 30 CEEDLO CCCN(CC#N)CCc1[nH+]c2ccccc2n1C ZINC000265495311 394649187 /nfs/dbraw/zinc/64/91/87/394649187.db2.gz LLKACRLDHVLDCF-UHFFFAOYSA-N 1 2 256.353 2.351 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334343985 394676428 /nfs/dbraw/zinc/67/64/28/394676428.db2.gz RWFFSBOIQVTACF-QWHCGFSZSA-N 1 2 286.379 2.085 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000268294830 394692293 /nfs/dbraw/zinc/69/22/93/394692293.db2.gz KLCSLRFENRVHAH-HUUCEWRRSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000268294830 394692296 /nfs/dbraw/zinc/69/22/96/394692296.db2.gz KLCSLRFENRVHAH-HUUCEWRRSA-N 1 2 276.380 2.277 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000271128580 394747818 /nfs/dbraw/zinc/74/78/18/394747818.db2.gz MICDKJJBJRNHDS-GFCCVEGCSA-N 1 2 269.352 2.074 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000271128580 394747819 /nfs/dbraw/zinc/74/78/19/394747819.db2.gz MICDKJJBJRNHDS-GFCCVEGCSA-N 1 2 269.352 2.074 20 30 CEEDLO C=CCN(CCC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000359387956 394750835 /nfs/dbraw/zinc/75/08/35/394750835.db2.gz ZKZQUMDSINWGES-UHFFFAOYSA-N 1 2 280.331 2.414 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360003924 394783457 /nfs/dbraw/zinc/78/34/57/394783457.db2.gz LHYHOPGQPHUWNE-CQSZACIVSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C(CNC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000360206885 394793505 /nfs/dbraw/zinc/79/35/05/394793505.db2.gz CPVMIBABFJLNIO-UHFFFAOYSA-N 1 2 255.321 2.103 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H](C)c1ccccc1)C(=O)OC ZINC000361110335 394816111 /nfs/dbraw/zinc/81/61/11/394816111.db2.gz PFSDUJORAUSIOI-ZFWWWQNUSA-N 1 2 277.364 2.124 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)OC ZINC000361110711 394816531 /nfs/dbraw/zinc/81/65/31/394816531.db2.gz HONLRAGEJGWKPV-IUODEOHRSA-N 1 2 295.354 2.263 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)c1cc(C)n(CC)c1C ZINC000361995651 394840037 /nfs/dbraw/zinc/84/00/37/394840037.db2.gz HAKBSHUSRZWEIL-UHFFFAOYSA-N 1 2 278.396 2.442 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)c1cc(C)n(CC)c1C ZINC000361995651 394840039 /nfs/dbraw/zinc/84/00/39/394840039.db2.gz HAKBSHUSRZWEIL-UHFFFAOYSA-N 1 2 278.396 2.442 20 30 CEEDLO N#CCCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361985544 394840300 /nfs/dbraw/zinc/84/03/00/394840300.db2.gz MUKNEOPWTUIEOZ-OAHLLOKOSA-N 1 2 260.337 2.070 20 30 CEEDLO N#CCCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361985544 394840305 /nfs/dbraw/zinc/84/03/05/394840305.db2.gz MUKNEOPWTUIEOZ-OAHLLOKOSA-N 1 2 260.337 2.070 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362052887 394843073 /nfs/dbraw/zinc/84/30/73/394843073.db2.gz GTJNFXQYJOLQGM-UHFFFAOYSA-N 1 2 298.346 2.243 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362052887 394843079 /nfs/dbraw/zinc/84/30/79/394843079.db2.gz GTJNFXQYJOLQGM-UHFFFAOYSA-N 1 2 298.346 2.243 20 30 CEEDLO C=CCCCCCN(C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363708066 394883604 /nfs/dbraw/zinc/88/36/04/394883604.db2.gz COZMILIRBLMQAS-UHFFFAOYSA-N 1 2 294.439 2.446 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000362169729 394846376 /nfs/dbraw/zinc/84/63/76/394846376.db2.gz KGPKJOFSUUTPDN-MGPQQGTHSA-N 1 2 265.401 2.400 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000362169729 394846382 /nfs/dbraw/zinc/84/63/82/394846382.db2.gz KGPKJOFSUUTPDN-MGPQQGTHSA-N 1 2 265.401 2.400 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000362378500 394857253 /nfs/dbraw/zinc/85/72/53/394857253.db2.gz FWNZRKSEYNGMOX-LBPRGKRZSA-N 1 2 276.384 2.302 20 30 CEEDLO C#C[C@@H](NC(=O)NCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000282190881 394912744 /nfs/dbraw/zinc/91/27/44/394912744.db2.gz 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/nfs/dbraw/zinc/05/50/58/395055058.db2.gz GSCXLPLRQWKSPP-INIZCTEOSA-N 1 2 273.380 2.427 20 30 CEEDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC#N)CC2)cc1 ZINC000373479744 395061669 /nfs/dbraw/zinc/06/16/69/395061669.db2.gz KIWUGOPSZWNYJF-UHFFFAOYSA-N 1 2 287.363 2.036 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1 ZINC000289948892 395091612 /nfs/dbraw/zinc/09/16/12/395091612.db2.gz ZXIWFZNYBIYLSS-ACJLOTCBSA-N 1 2 261.390 2.011 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1 ZINC000289948892 395091613 /nfs/dbraw/zinc/09/16/13/395091613.db2.gz ZXIWFZNYBIYLSS-ACJLOTCBSA-N 1 2 261.390 2.011 20 30 CEEDLO C=CCOc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC000343225754 395035034 /nfs/dbraw/zinc/03/50/34/395035034.db2.gz PMBSLLKWHDQMIP-UHFFFAOYSA-N 1 2 255.321 2.384 20 30 CEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000343312448 395035875 /nfs/dbraw/zinc/03/58/75/395035875.db2.gz BNPQGTSIZYJQIW-UHFFFAOYSA-N 1 2 269.348 2.310 20 30 CEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000343312448 395035880 /nfs/dbraw/zinc/03/58/80/395035880.db2.gz BNPQGTSIZYJQIW-UHFFFAOYSA-N 1 2 269.348 2.310 20 30 CEEDLO Cc1cn2c([nH+]1)CN(CC#Cc1ccc(F)cc1)CC2 ZINC000376287076 395115402 /nfs/dbraw/zinc/11/54/02/395115402.db2.gz TVRDUERBNJUBAP-UHFFFAOYSA-N 1 2 269.323 2.198 20 30 CEEDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(C#N)CC2)c1O ZINC000175612216 395133070 /nfs/dbraw/zinc/13/30/70/395133070.db2.gz QLGRENGTXCAUFX-UHFFFAOYSA-N 1 2 276.311 2.469 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000174690906 395127282 /nfs/dbraw/zinc/12/72/82/395127282.db2.gz GAIMDIBYFICTNN-UHFFFAOYSA-N 1 2 262.309 2.192 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000174690906 395127288 /nfs/dbraw/zinc/12/72/88/395127288.db2.gz GAIMDIBYFICTNN-UHFFFAOYSA-N 1 2 262.309 2.192 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C ZINC000348651580 395148860 /nfs/dbraw/zinc/14/88/60/395148860.db2.gz UPUVQPFCARYREM-UHFFFAOYSA-N 1 2 289.379 2.392 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C ZINC000348651580 395148867 /nfs/dbraw/zinc/14/88/67/395148867.db2.gz UPUVQPFCARYREM-UHFFFAOYSA-N 1 2 289.379 2.392 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000293354432 395231074 /nfs/dbraw/zinc/23/10/74/395231074.db2.gz ZLUMVNOKJFRUPF-SNVBAGLBSA-N 1 2 265.744 2.017 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000293354432 395231077 /nfs/dbraw/zinc/23/10/77/395231077.db2.gz ZLUMVNOKJFRUPF-SNVBAGLBSA-N 1 2 265.744 2.017 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)c2ccc(C#N)nn2)c1C ZINC000179287747 395189844 /nfs/dbraw/zinc/18/98/44/395189844.db2.gz CWLWPTXWCGVIEZ-UHFFFAOYSA-N 1 2 283.335 2.005 20 30 CEEDLO C=CCN(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C ZINC000292308742 395192068 /nfs/dbraw/zinc/19/20/68/395192068.db2.gz LRNWEFHPVASCCJ-UHFFFAOYSA-N 1 2 284.363 2.318 20 30 CEEDLO CC#CC[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000292976781 395211518 /nfs/dbraw/zinc/21/15/18/395211518.db2.gz AZWUQQMFDCLWSG-MRXNPFEDSA-N 1 2 281.359 2.009 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 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CC(C)(C#N)CCC[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353011139 395284111 /nfs/dbraw/zinc/28/41/11/395284111.db2.gz YBUXBYPSGPUESL-UHFFFAOYSA-N 1 2 291.317 2.023 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353011139 395284114 /nfs/dbraw/zinc/28/41/14/395284114.db2.gz YBUXBYPSGPUESL-UHFFFAOYSA-N 1 2 291.317 2.023 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)[C@@H](C)C2)cc1 ZINC000353800904 395308732 /nfs/dbraw/zinc/30/87/32/395308732.db2.gz BUWFVTURTCUGLS-ORAYPTAESA-N 1 2 279.405 2.204 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)[C@@H](C)C2)cc1 ZINC000353800904 395308736 /nfs/dbraw/zinc/30/87/36/395308736.db2.gz BUWFVTURTCUGLS-ORAYPTAESA-N 1 2 279.405 2.204 20 30 CEEDLO COc1cc2c(cc1C[N@H+](C)CC(C)(C)C#N)OCO2 ZINC000354007840 395313036 /nfs/dbraw/zinc/31/30/36/395313036.db2.gz AZUUTVJIKOPWTD-UHFFFAOYSA-N 1 2 276.336 2.405 20 30 CEEDLO COc1cc2c(cc1C[N@@H+](C)CC(C)(C)C#N)OCO2 ZINC000354007840 395313041 /nfs/dbraw/zinc/31/30/41/395313041.db2.gz AZUUTVJIKOPWTD-UHFFFAOYSA-N 1 2 276.336 2.405 20 30 CEEDLO COC(=O)C[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411313207 395327125 /nfs/dbraw/zinc/32/71/25/395327125.db2.gz XGLAQSRMFHFPDV-UHFFFAOYSA-N 1 2 264.369 2.488 20 30 CEEDLO COC(=O)C[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411313207 395327129 /nfs/dbraw/zinc/32/71/29/395327129.db2.gz XGLAQSRMFHFPDV-UHFFFAOYSA-N 1 2 264.369 2.488 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(C)C ZINC000352922149 395276789 /nfs/dbraw/zinc/27/67/89/395276789.db2.gz OFSGWZPBBFLMCC-AWEZNQCLSA-N 1 2 292.427 2.319 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N(C)C ZINC000352922149 395276791 /nfs/dbraw/zinc/27/67/91/395276791.db2.gz OFSGWZPBBFLMCC-AWEZNQCLSA-N 1 2 292.427 2.319 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000355212347 395367876 /nfs/dbraw/zinc/36/78/76/395367876.db2.gz DCJULCUKBTXDHR-UHFFFAOYSA-N 1 2 295.371 2.490 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000192224279 395376607 /nfs/dbraw/zinc/37/66/07/395376607.db2.gz AZCQPMXAMAVWRG-NSHDSACASA-N 1 2 264.756 2.082 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000192224279 395376610 /nfs/dbraw/zinc/37/66/10/395376610.db2.gz AZCQPMXAMAVWRG-NSHDSACASA-N 1 2 264.756 2.082 20 30 CEEDLO N#Cc1cncc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000420582905 395380452 /nfs/dbraw/zinc/38/04/52/395380452.db2.gz ICKKMFGEFVOMKE-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000411398585 395328704 /nfs/dbraw/zinc/32/87/04/395328704.db2.gz CQAKQKMSAOENIT-PBFPGSCMSA-N 1 2 294.358 2.024 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000411398585 395328708 /nfs/dbraw/zinc/32/87/08/395328708.db2.gz CQAKQKMSAOENIT-PBFPGSCMSA-N 1 2 294.358 2.024 20 30 CEEDLO COc1ccc(C[N@@H+]2CCc3nc(C)ncc3C2)cc1C#N ZINC000532744838 395461209 /nfs/dbraw/zinc/46/12/09/395461209.db2.gz SROIEANOYLWLQK-UHFFFAOYSA-N 1 2 294.358 2.224 20 30 CEEDLO COc1ccc(C[N@H+]2CCc3nc(C)ncc3C2)cc1C#N ZINC000532744838 395461210 /nfs/dbraw/zinc/46/12/10/395461210.db2.gz SROIEANOYLWLQK-UHFFFAOYSA-N 1 2 294.358 2.224 20 30 CEEDLO CNc1[nH+]cnc2c1cnn2Cc1ccc(Cl)cc1C#N ZINC000194414887 395435656 /nfs/dbraw/zinc/43/56/56/395435656.db2.gz VEFBVOVYMJDTGB-UHFFFAOYSA-N 1 2 298.737 2.441 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2nc3ccccc3n2CC)nn1 ZINC000567661372 395534928 /nfs/dbraw/zinc/53/49/28/395534928.db2.gz HMAYYHDZPJPSOS-UHFFFAOYSA-N 1 2 296.378 2.124 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000569884672 395581045 /nfs/dbraw/zinc/58/10/45/395581045.db2.gz XQOJRIJPDPNBNJ-UHFFFAOYSA-N 1 2 270.311 2.405 20 30 CEEDLO Cc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)ncc1C#N ZINC000457604992 395636467 /nfs/dbraw/zinc/63/64/67/395636467.db2.gz QXWNVZHUJJNQET-UHFFFAOYSA-N 1 2 297.362 2.044 20 30 CEEDLO Cc1ccc2ncc(C#N)c(NCc3[nH+]ccn3C)c2c1 ZINC000488056815 395667812 /nfs/dbraw/zinc/66/78/12/395667812.db2.gz ZQMCRFZDSDJGJR-UHFFFAOYSA-N 1 2 277.331 2.182 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000491475443 395669905 /nfs/dbraw/zinc/66/99/05/395669905.db2.gz WWMKXSATUVNZBZ-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000491475443 395669906 /nfs/dbraw/zinc/66/99/06/395669906.db2.gz WWMKXSATUVNZBZ-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCc1ccc(CC)s1)C1CC1 ZINC000491724608 395670446 /nfs/dbraw/zinc/67/04/46/395670446.db2.gz GFFLTQDRQKKPJY-UHFFFAOYSA-N 1 2 276.405 2.024 20 30 CEEDLO C#CC[N@H+](CC(=O)NCc1ccc(CC)s1)C1CC1 ZINC000491724608 395670447 /nfs/dbraw/zinc/67/04/47/395670447.db2.gz GFFLTQDRQKKPJY-UHFFFAOYSA-N 1 2 276.405 2.024 20 30 CEEDLO N#Cc1ccc(CN(C(=O)C=Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC000492815874 395671227 /nfs/dbraw/zinc/67/12/27/395671227.db2.gz YUIUJFQXQGYBQN-YVMONPNESA-N 1 2 292.342 2.486 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000493562128 395671520 /nfs/dbraw/zinc/67/15/20/395671520.db2.gz VHRIKFCYDDJZGC-AATRIKPKSA-N 1 2 293.326 2.291 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000120535252 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CC[C@H](NC(=O)Cc1c(F)cccc1C#N)c1[nH]cc[nH+]1 ZINC000354767424 154354585 /nfs/dbraw/zinc/35/45/85/154354585.db2.gz IWDKUZCLXASDSO-ZDUSSCGKSA-N 1 2 286.310 2.230 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375954685 157165693 /nfs/dbraw/zinc/16/56/93/157165693.db2.gz NVJNJNGEUUGQLO-VLXJIEOASA-N 1 2 276.405 2.320 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375954685 157165697 /nfs/dbraw/zinc/16/56/97/157165697.db2.gz NVJNJNGEUUGQLO-VLXJIEOASA-N 1 2 276.405 2.320 20 30 CEEDLO C[C@@H]1CCN(c2cc(C#N)ccn2)C[C@@H]1n1cc[nH+]c1 ZINC000376397044 157218649 /nfs/dbraw/zinc/21/86/49/157218649.db2.gz QLJYVRQTGGZOAE-OCCSQVGLSA-N 1 2 267.336 2.237 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)c2cc(C#N)c[nH]2)c[nH+]1 ZINC000175332485 165133962 /nfs/dbraw/zinc/13/39/62/165133962.db2.gz VPJPPDIXENQUPK-UHFFFAOYSA-N 1 2 297.362 2.058 20 30 CEEDLO N#Cc1ccc(NCCCNc2cccc[nH+]2)cn1 ZINC000180410940 165309525 /nfs/dbraw/zinc/30/95/25/165309525.db2.gz 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C=CCN1CC[C@@H]([N@H+]2CC(C)(C)[C@@H]2c2cccnc2)C1=O ZINC000664822399 415489192 /nfs/dbraw/zinc/48/91/92/415489192.db2.gz IKFCGNYKQDSWHC-CABCVRRESA-N 1 2 285.391 2.251 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1csc(C2CCCC2)n1 ZINC000662165578 415669016 /nfs/dbraw/zinc/66/90/16/415669016.db2.gz JMGCKKCTRHEFBN-LLVKDONJSA-N 1 2 252.383 2.437 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695538 176001962 /nfs/dbraw/zinc/00/19/62/176001962.db2.gz MUWYUQFPJLHMLL-IJEWVQPXSA-N 1 2 288.391 2.139 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695538 176001963 /nfs/dbraw/zinc/00/19/63/176001963.db2.gz MUWYUQFPJLHMLL-IJEWVQPXSA-N 1 2 288.391 2.139 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N3CCC(C#N)CC3)cc2n1C ZINC000334893855 225353213 /nfs/dbraw/zinc/35/32/13/225353213.db2.gz DSOASGYYKHWKTJ-UHFFFAOYSA-N 1 2 282.347 2.258 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000575224750 335083831 /nfs/dbraw/zinc/08/38/31/335083831.db2.gz 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260142312 /nfs/dbraw/zinc/14/23/12/260142312.db2.gz KBBMCQYNFULLEB-CYBMUJFWSA-N 1 2 271.368 2.002 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nnnn1C ZINC000298080502 260142313 /nfs/dbraw/zinc/14/23/13/260142313.db2.gz KBBMCQYNFULLEB-CYBMUJFWSA-N 1 2 271.368 2.002 20 30 CEEDLO N#CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000142093028 260296326 /nfs/dbraw/zinc/29/63/26/260296326.db2.gz QZAZATYSQZBOSD-UHFFFAOYSA-N 1 2 268.320 2.472 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000127666946 260803623 /nfs/dbraw/zinc/80/36/23/260803623.db2.gz UGCKCXCQYVBPAT-UHFFFAOYSA-N 1 2 269.352 2.218 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000127666946 260803624 /nfs/dbraw/zinc/80/36/24/260803624.db2.gz UGCKCXCQYVBPAT-UHFFFAOYSA-N 1 2 269.352 2.218 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCCO[C@H]2CCOC2)c1O ZINC000129350460 260835587 /nfs/dbraw/zinc/83/55/87/260835587.db2.gz IAFMNJXSDUPNOX-MPMPPSQCSA-N 1 2 293.363 2.405 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000130296712 260852857 /nfs/dbraw/zinc/85/28/57/260852857.db2.gz MBFXYPQEXWLZAV-CYBMUJFWSA-N 1 2 271.364 2.010 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000249900992 261260555 /nfs/dbraw/zinc/26/05/55/261260555.db2.gz SYRXAHIDJNLPSS-UONOGXRCSA-N 1 2 290.411 2.199 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000104678462 261296912 /nfs/dbraw/zinc/29/69/12/261296912.db2.gz VDVJMDMZTJUOGO-JQWIXIFHSA-N 1 2 293.333 2.314 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104678462 261296915 /nfs/dbraw/zinc/29/69/15/261296915.db2.gz VDVJMDMZTJUOGO-JQWIXIFHSA-N 1 2 293.333 2.314 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1nccn1CC(F)(F)F ZINC000184093720 262009304 /nfs/dbraw/zinc/00/93/04/262009304.db2.gz WJXADWHAUURNJA-SECBINFHSA-N 1 2 260.263 2.227 20 30 CEEDLO CC[C@H](CC#N)NCc1[nH+]ccn1CC(F)(F)F ZINC000184093720 262009305 /nfs/dbraw/zinc/00/93/05/262009305.db2.gz WJXADWHAUURNJA-SECBINFHSA-N 1 2 260.263 2.227 20 30 CEEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccn(C)n1 ZINC000459786556 269879759 /nfs/dbraw/zinc/87/97/59/269879759.db2.gz KLZIRELTDGXTHZ-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO Cc1cc(C2=CC[N@H+](CCC#N)CC2)cc([N+](=O)[O-])c1N ZINC000364356431 262216077 /nfs/dbraw/zinc/21/60/77/262216077.db2.gz HZHJCQSPCQBXTD-UHFFFAOYSA-N 1 2 286.335 2.488 20 30 CEEDLO Cc1cc(C2=CC[N@@H+](CCC#N)CC2)cc([N+](=O)[O-])c1N ZINC000364356431 262216079 /nfs/dbraw/zinc/21/60/79/262216079.db2.gz HZHJCQSPCQBXTD-UHFFFAOYSA-N 1 2 286.335 2.488 20 30 CEEDLO N#C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC000492919118 262248640 /nfs/dbraw/zinc/24/86/40/262248640.db2.gz GVPHTDLLJGUAMP-LREFGLRZSA-N 1 2 292.342 2.189 20 30 CEEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccccc1 ZINC000365273410 262357852 /nfs/dbraw/zinc/35/78/52/262357852.db2.gz KHDDSQFMKPDCKD-IRXDYDNUSA-N 1 2 283.371 2.108 20 30 CEEDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccccc1 ZINC000365273410 262357854 /nfs/dbraw/zinc/35/78/54/262357854.db2.gz KHDDSQFMKPDCKD-IRXDYDNUSA-N 1 2 283.371 2.108 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCn1cc[nH+]c1 ZINC000413050938 262754148 /nfs/dbraw/zinc/75/41/48/262754148.db2.gz KDUKLQANXHRRTK-INIZCTEOSA-N 1 2 298.390 2.370 20 30 CEEDLO CC1(C#N)CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000272515427 263005709 /nfs/dbraw/zinc/00/57/09/263005709.db2.gz KBCVNNPTWYTTIV-UHFFFAOYSA-N 1 2 282.347 2.029 20 30 CEEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000274359178 263023623 /nfs/dbraw/zinc/02/36/23/263023623.db2.gz SYSLERNKDJBOMZ-OAHLLOKOSA-N 1 2 270.336 2.392 20 30 CEEDLO CCC(O)(CC)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000276446854 263036782 /nfs/dbraw/zinc/03/67/82/263036782.db2.gz VIJHZOPTMGEVEW-OQLLNIDSSA-N 1 2 267.325 2.164 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)CC(C)(C)C#N)cn21 ZINC000279214772 263053846 /nfs/dbraw/zinc/05/38/46/263053846.db2.gz HJJVAPYDPHBPNN-UHFFFAOYSA-N 1 2 270.336 2.199 20 30 CEEDLO CC(C)(C#N)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279245782 263054088 /nfs/dbraw/zinc/05/40/88/263054088.db2.gz QZEKLQCVVOBWIN-UHFFFAOYSA-N 1 2 260.341 2.056 20 30 CEEDLO CC[C@@H](C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000279628750 263056390 /nfs/dbraw/zinc/05/63/90/263056390.db2.gz BOUZKUULBQMFSI-VIFPVBQESA-N 1 2 292.289 2.041 20 30 CEEDLO COc1cc2c(cc1F)[nH+]ccc2N1CCO[C@@H](C#N)C1 ZINC000280681786 263063658 /nfs/dbraw/zinc/06/36/58/263063658.db2.gz ILHXKPSBEKJSIG-JTQLQIEISA-N 1 2 287.294 2.111 20 30 CEEDLO CC(=O)N1CCC[C@@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000280915268 263064960 /nfs/dbraw/zinc/06/49/60/263064960.db2.gz GTYMZXNJSDOOEX-RKPNYOAGSA-N 1 2 260.337 2.070 20 30 CEEDLO Cc1ccc(CCCO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284396867 263086583 /nfs/dbraw/zinc/08/65/83/263086583.db2.gz MUNWVZNBDMQIMU-CQSZACIVSA-N 1 2 262.353 2.395 20 30 CEEDLO COc1cc[nH+]cc1CO/N=C1/CCCOCC1 ZINC000288713895 263105709 /nfs/dbraw/zinc/10/57/09/263105709.db2.gz VLSDAMBQDICSHQ-QINSGFPZSA-N 1 2 250.298 2.163 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288767566 263105951 /nfs/dbraw/zinc/10/59/51/263105951.db2.gz JIJPMKSNYURPRC-MRXNPFEDSA-N 1 2 289.379 2.082 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288767566 263105952 /nfs/dbraw/zinc/10/59/52/263105952.db2.gz JIJPMKSNYURPRC-MRXNPFEDSA-N 1 2 289.379 2.082 20 30 CEEDLO COc1cccc(OC)c1OCCCC[N@H+](C)CC#N ZINC000290350180 263116302 /nfs/dbraw/zinc/11/63/02/263116302.db2.gz QBRAEIUZFXDREW-UHFFFAOYSA-N 1 2 278.352 2.318 20 30 CEEDLO COc1cccc(OC)c1OCCCC[N@@H+](C)CC#N ZINC000290350180 263116303 /nfs/dbraw/zinc/11/63/03/263116303.db2.gz QBRAEIUZFXDREW-UHFFFAOYSA-N 1 2 278.352 2.318 20 30 CEEDLO COCC(C)(C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000291807665 263125679 /nfs/dbraw/zinc/12/56/79/263125679.db2.gz COKQOQIHZFGRBA-OVCLIPMQSA-N 1 2 251.326 2.492 20 30 CEEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000294907044 263169134 /nfs/dbraw/zinc/16/91/34/263169134.db2.gz FXCWKKKITPMABQ-UONOGXRCSA-N 1 2 281.363 2.439 20 30 CEEDLO N#CCC[N@@H+](Cc1cnn(CC(F)F)c1)CC1CC1 ZINC000295243657 263175000 /nfs/dbraw/zinc/17/50/00/263175000.db2.gz FDPQCIRKFHQVNA-UHFFFAOYSA-N 1 2 268.311 2.274 20 30 CEEDLO N#CCC[N@H+](Cc1cnn(CC(F)F)c1)CC1CC1 ZINC000295243657 263175001 /nfs/dbraw/zinc/17/50/01/263175001.db2.gz FDPQCIRKFHQVNA-UHFFFAOYSA-N 1 2 268.311 2.274 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000295720450 263181696 /nfs/dbraw/zinc/18/16/96/263181696.db2.gz KOWRQEKCGNJNLU-UHFFFAOYSA-N 1 2 294.358 2.388 20 30 CEEDLO CC(=O)NC1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000299671857 263251568 /nfs/dbraw/zinc/25/15/68/263251568.db2.gz SHRBNWSPZZRAKB-MHWRWJLKSA-N 1 2 260.337 2.258 20 30 CEEDLO C=CCCCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341914706 263366174 /nfs/dbraw/zinc/36/61/74/263366174.db2.gz CQGBZLCSBNQAAE-ZDUSSCGKSA-N 1 2 270.442 2.238 20 30 CEEDLO Cc1nc(N2CCC(F)(C#N)CC2)c2c([nH+]1)CCCC2 ZINC000343226357 263793252 /nfs/dbraw/zinc/79/32/52/263793252.db2.gz QQTHAQMSGIHDCY-UHFFFAOYSA-N 1 2 274.343 2.496 20 30 CEEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)sc1C 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COc1ccc(C#N)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331361621 264210283 /nfs/dbraw/zinc/21/02/83/264210283.db2.gz ZHOZOWWNEDVULP-TZMCWYRMSA-N 1 2 255.321 2.349 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CC[C@H]1SC)C(=O)OCC ZINC000425367868 264213008 /nfs/dbraw/zinc/21/30/08/264213008.db2.gz IWTUEHPTWILAFC-GRYCIOLGSA-N 1 2 257.399 2.368 20 30 CEEDLO C=CCC[C@@H](NCc1c[nH+]cn1C(C)C)C(=O)OCC ZINC000425369015 264213390 /nfs/dbraw/zinc/21/33/90/264213390.db2.gz KZGQMMNBBJJGRW-CQSZACIVSA-N 1 2 279.384 2.452 20 30 CEEDLO C=C[C@](C)(O)CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000290439445 264786413 /nfs/dbraw/zinc/78/64/13/264786413.db2.gz IQCRLYPPSDJQOE-KRWDZBQOSA-N 1 2 299.374 2.090 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(C)(C#N)C1)C2 ZINC000519263207 265378257 /nfs/dbraw/zinc/37/82/57/265378257.db2.gz OZOOMZIYRAPUQB-LLVKDONJSA-N 1 2 286.379 2.010 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(C)(C#N)C1)CC2 ZINC000519263207 265378260 /nfs/dbraw/zinc/37/82/60/265378260.db2.gz 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/nfs/dbraw/zinc/26/37/93/267263793.db2.gz NPDXDWZGITVEGB-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO CCn1nccc1C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000448510271 267263796 /nfs/dbraw/zinc/26/37/96/267263796.db2.gz NPDXDWZGITVEGB-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO C=CCOc1ccccc1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000369925418 267276944 /nfs/dbraw/zinc/27/69/44/267276944.db2.gz WAIWWOWZSQACPL-UHFFFAOYSA-N 1 2 297.358 2.412 20 30 CEEDLO C[NH+](C)Cc1csc(NC(=O)c2cc(C#N)cs2)n1 ZINC000457320298 267284614 /nfs/dbraw/zinc/28/46/14/267284614.db2.gz ZRTITGHUHAJPBE-UHFFFAOYSA-N 1 2 292.389 2.390 20 30 CEEDLO CN(C)c1ccc(CNC(=O)c2cscc2C#N)c[nH+]1 ZINC000432403832 267293041 /nfs/dbraw/zinc/29/30/41/267293041.db2.gz CISRDFVZJFPSRU-UHFFFAOYSA-N 1 2 286.360 2.011 20 30 CEEDLO C#CCCNC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376166289 267945621 /nfs/dbraw/zinc/94/56/21/267945621.db2.gz LGNWGUIAUWWRPT-HNNXBMFYSA-N 1 2 293.370 2.252 20 30 CEEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ncn1 ZINC000525892652 268190311 /nfs/dbraw/zinc/19/03/11/268190311.db2.gz VAGYSZPRWOCHAZ-UHFFFAOYSA-N 1 2 266.308 2.087 20 30 CEEDLO Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000425267224 271150298 /nfs/dbraw/zinc/15/02/98/271150298.db2.gz KZRRKBREUVDGJM-NFAWXSAZSA-N 1 2 271.364 2.249 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000058453719 279645474 /nfs/dbraw/zinc/64/54/74/279645474.db2.gz NNPHZWVCVQNSPT-UHFFFAOYSA-N 1 2 283.335 2.275 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)Cc1cccc(C#N)c1 ZINC000158706181 289239490 /nfs/dbraw/zinc/23/94/90/289239490.db2.gz WRDYSYROJRNEFX-BQYQJAHWSA-N 1 2 294.358 2.446 20 30 CEEDLO Cn1cccc1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000162376303 294397499 /nfs/dbraw/zinc/39/74/99/294397499.db2.gz XHJGAHFRBRJHMF-QGZVFWFLSA-N 1 2 281.359 2.470 20 30 CEEDLO Cn1cccc1[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000162376303 294397500 /nfs/dbraw/zinc/39/75/00/294397500.db2.gz XHJGAHFRBRJHMF-QGZVFWFLSA-N 1 2 281.359 2.470 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCSC[C@@H]2C)c1C#N ZINC000535964011 298192437 /nfs/dbraw/zinc/19/24/37/298192437.db2.gz OFCXDWOKEXKHTG-NSHDSACASA-N 1 2 290.388 2.282 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCSC[C@@H]2C)c1C#N ZINC000535964011 298192438 /nfs/dbraw/zinc/19/24/38/298192438.db2.gz OFCXDWOKEXKHTG-NSHDSACASA-N 1 2 290.388 2.282 20 30 CEEDLO C[C@@H]1C[NH+](CCSc2cccnc2C#N)C[C@@H](C)O1 ZINC000570584051 314047048 /nfs/dbraw/zinc/04/70/48/314047048.db2.gz RJYXQTNAQXVMNS-VXGBXAGGSA-N 1 2 277.393 2.155 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000160327431 327843038 /nfs/dbraw/zinc/84/30/38/327843038.db2.gz KRDXPHOQGLPIEP-UHFFFAOYSA-N 1 2 294.757 2.260 20 30 CEEDLO CC1CC(C#N)(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000531809262 328036675 /nfs/dbraw/zinc/03/66/75/328036675.db2.gz UYEUWIFBFDEXHM-UHFFFAOYSA-N 1 2 298.390 2.238 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000412042709 328102751 /nfs/dbraw/zinc/10/27/51/328102751.db2.gz OYMMOCODABBXBL-WDEREUQCSA-N 1 2 282.413 2.002 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000366571201 328110118 /nfs/dbraw/zinc/11/01/18/328110118.db2.gz HZMAINMOFFEEFS-ZIAGYGMSSA-N 1 2 286.375 2.184 20 30 CEEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293170633 328274644 /nfs/dbraw/zinc/27/46/44/328274644.db2.gz RWXBFULTSNAEPS-KGLIPLIRSA-N 1 2 292.404 2.214 20 30 CEEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293170633 328274646 /nfs/dbraw/zinc/27/46/46/328274646.db2.gz RWXBFULTSNAEPS-KGLIPLIRSA-N 1 2 292.404 2.214 20 30 CEEDLO C[C@H](C#N)[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186006243 329335769 /nfs/dbraw/zinc/33/57/69/329335769.db2.gz CTCUWLPAGFOCPC-XQHKEYJVSA-N 1 2 279.384 2.134 20 30 CEEDLO CC#CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000283387852 328513147 /nfs/dbraw/zinc/51/31/47/328513147.db2.gz SATJSUGKSXVIGK-ZDUSSCGKSA-N 1 2 272.348 2.042 20 30 CEEDLO C[C@H](CC(=O)N(CCC#N)Cc1ccco1)n1cc[nH+]c1 ZINC000556687351 326958783 /nfs/dbraw/zinc/95/87/83/326958783.db2.gz GNBVXGMRAAGOHH-CYBMUJFWSA-N 1 2 286.335 2.370 20 30 CEEDLO COc1cc2c(c(C[NH2+]CC3(C#N)CC3)c1)O[C@@H](C)C2 ZINC000555709891 327249540 /nfs/dbraw/zinc/24/95/40/327249540.db2.gz QDOBHRTTXXIJSU-NSHDSACASA-N 1 2 272.348 2.412 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000583389136 327339368 /nfs/dbraw/zinc/33/93/68/327339368.db2.gz BZVVGHACSSYLRU-DGCLKSJQSA-N 1 2 275.327 2.213 20 30 CEEDLO C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1[nH]cc[nH+]1 ZINC000569970519 327558973 /nfs/dbraw/zinc/55/89/73/327558973.db2.gz PIDSBWBTHRBZON-LLVKDONJSA-N 1 2 280.331 2.456 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377717157 329026749 /nfs/dbraw/zinc/02/67/49/329026749.db2.gz DMOSPJACTRCNMS-QLFBSQMISA-N 1 2 273.380 2.463 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377717157 329026751 /nfs/dbraw/zinc/02/67/51/329026751.db2.gz DMOSPJACTRCNMS-QLFBSQMISA-N 1 2 273.380 2.463 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074205 329038706 /nfs/dbraw/zinc/03/87/06/329038706.db2.gz IQIZFKYWHYIWPK-LBPRGKRZSA-N 1 2 277.368 2.097 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074205 329038707 /nfs/dbraw/zinc/03/87/07/329038707.db2.gz IQIZFKYWHYIWPK-LBPRGKRZSA-N 1 2 277.368 2.097 20 30 CEEDLO C#CCOc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000378405861 329049130 /nfs/dbraw/zinc/04/91/30/329049130.db2.gz SLOOHVLHJIMTEP-HNNXBMFYSA-N 1 2 295.342 2.399 20 30 CEEDLO CC#CCCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000185340915 329270840 /nfs/dbraw/zinc/27/08/40/329270840.db2.gz PYUHOMVXPFKWCI-UHFFFAOYSA-N 1 2 285.391 2.360 20 30 CEEDLO N#CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000582901864 329283501 /nfs/dbraw/zinc/28/35/01/329283501.db2.gz NBWUEQPLNBGGEO-UHFFFAOYSA-N 1 2 256.256 2.133 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000185520053 329326139 /nfs/dbraw/zinc/32/61/39/329326139.db2.gz UCLNMJYKMIWZDV-HOTGVXAUSA-N 1 2 294.439 2.302 20 30 CEEDLO C[C@H](C#N)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186006243 329335768 /nfs/dbraw/zinc/33/57/68/329335768.db2.gz CTCUWLPAGFOCPC-XQHKEYJVSA-N 1 2 279.384 2.134 20 30 CEEDLO CC[N@H+](CCCCCS(=O)(=O)CC)C[C@H](C)C#N ZINC000190494653 329397887 /nfs/dbraw/zinc/39/78/87/329397887.db2.gz CUBZJOFPFVXZAO-CYBMUJFWSA-N 1 2 274.430 2.073 20 30 CEEDLO CC[N@@H+](CCCCCS(=O)(=O)CC)C[C@H](C)C#N ZINC000190494653 329397888 /nfs/dbraw/zinc/39/78/88/329397888.db2.gz CUBZJOFPFVXZAO-CYBMUJFWSA-N 1 2 274.430 2.073 20 30 CEEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000124658456 329572524 /nfs/dbraw/zinc/57/25/24/329572524.db2.gz GDUVKDNPNXMTRP-LBPRGKRZSA-N 1 2 291.782 2.459 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000130648897 329626844 /nfs/dbraw/zinc/62/68/44/329626844.db2.gz BWPGZONQVBSFFV-CYBMUJFWSA-N 1 2 265.316 2.066 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000133135236 329651151 /nfs/dbraw/zinc/65/11/51/329651151.db2.gz 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C=CC1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000335008205 526972178 /nfs/dbraw/zinc/97/21/78/526972178.db2.gz IMPNJOBWEVYQRC-AWEZNQCLSA-N 1 2 280.318 2.389 20 30 CEEDLO CC[N@H+](CC(=O)N1CCCCCC1)CC1(C#N)CC1 ZINC000353198211 527895983 /nfs/dbraw/zinc/89/59/83/527895983.db2.gz YKGNTMKLLLSPIU-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)CC1(C#N)CC1 ZINC000353198211 527895989 /nfs/dbraw/zinc/89/59/89/527895989.db2.gz YKGNTMKLLLSPIU-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO CCOC(=O)c1coc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000353440936 528323696 /nfs/dbraw/zinc/32/36/96/528323696.db2.gz QZBLFQIOVCXKKN-NSHDSACASA-N 1 2 264.325 2.438 20 30 CEEDLO CCOC(=O)c1coc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000353440936 528323703 /nfs/dbraw/zinc/32/37/03/528323703.db2.gz QZBLFQIOVCXKKN-NSHDSACASA-N 1 2 264.325 2.438 20 30 CEEDLO N#CCCCC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000726603357 574427866 /nfs/dbraw/zinc/42/78/66/574427866.db2.gz ZKSGGEMUAHQOFG-LBPRGKRZSA-N 1 2 276.340 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AAQOFHXXGOQCKW-BOPFTXTBSA-N 1 2 296.330 2.105 20 30 CEEDLO CCC[C@H]1CC(=O)N(C[N@H+](CCC#N)CC(C)C)C1 ZINC000743357412 575050257 /nfs/dbraw/zinc/05/02/57/575050257.db2.gz WIPMCZQELNLLKI-AWEZNQCLSA-N 1 2 265.401 2.464 20 30 CEEDLO CCC[C@H]1CC(=O)N(C[N@@H+](CCC#N)CC(C)C)C1 ZINC000743357412 575050258 /nfs/dbraw/zinc/05/02/58/575050258.db2.gz WIPMCZQELNLLKI-AWEZNQCLSA-N 1 2 265.401 2.464 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000743854767 575111150 /nfs/dbraw/zinc/11/11/50/575111150.db2.gz LTTHWFKOMSTNGO-IRXDYDNUSA-N 1 2 286.419 2.126 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000743854767 575111151 /nfs/dbraw/zinc/11/11/51/575111151.db2.gz LTTHWFKOMSTNGO-IRXDYDNUSA-N 1 2 286.419 2.126 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)C#Cc2ccccc2)c1C ZINC000747369894 575169848 /nfs/dbraw/zinc/16/98/48/575169848.db2.gz BLLWNRQLQPUDKL-UHFFFAOYSA-N 1 2 294.354 2.375 20 30 CEEDLO Oc1ccc(/C=[NH+]/C[C@H]2COc3ccccc3C2)c(O)c1O ZINC000747713193 575174079 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C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000949457462 613318702 /nfs/dbraw/zinc/31/87/02/613318702.db2.gz PRDSCJJWSQYABT-MIFYACCESA-N 1 2 262.397 2.143 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnoc2CC)C1 ZINC000970515874 613372613 /nfs/dbraw/zinc/37/26/13/613372613.db2.gz MGFQVVJAQKKIEZ-JTQLQIEISA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccoc2)C1 ZINC000965932355 613375794 /nfs/dbraw/zinc/37/57/94/613375794.db2.gz WUMRLECRISHIAD-BXUZGUMPSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccoc2)C1 ZINC000965932355 613375795 /nfs/dbraw/zinc/37/57/95/613375795.db2.gz WUMRLECRISHIAD-BXUZGUMPSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000965068746 613377494 /nfs/dbraw/zinc/37/74/94/613377494.db2.gz UDDNTPZCMFKNFX-GWCFXTLKSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000965068746 613377495 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C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccn2)C(C)(C)C1 ZINC000972746386 613379824 /nfs/dbraw/zinc/37/98/24/613379824.db2.gz HKVHYQQQCCIRHR-CYBMUJFWSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccn2C)C(C)(C)C1 ZINC000972817886 613381167 /nfs/dbraw/zinc/38/11/67/613381167.db2.gz OZOAJOOGOKBBJC-ZDUSSCGKSA-N 1 2 295.814 2.218 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccn2C)C(C)(C)C1 ZINC000972817886 613381168 /nfs/dbraw/zinc/38/11/68/613381168.db2.gz OZOAJOOGOKBBJC-ZDUSSCGKSA-N 1 2 295.814 2.218 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccc(C)s2)CC1 ZINC000957929004 613562124 /nfs/dbraw/zinc/56/21/24/613562124.db2.gz SENQGGBEDNWHJF-UHFFFAOYSA-N 1 2 290.432 2.157 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(F)c(C)c2)C1 ZINC000951592435 613657419 /nfs/dbraw/zinc/65/74/19/613657419.db2.gz RKPXEGQBQUWYKR-UHFFFAOYSA-N 1 2 276.355 2.466 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cn2cc(C)c3ccccc32)CC1 ZINC000951695566 613709756 /nfs/dbraw/zinc/70/97/56/613709756.db2.gz BRERKIDLYNQJOE-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/72/50/19/613725019.db2.gz XDRCSZMWVLVBML-QGZVFWFLSA-N 1 2 294.439 2.302 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC000972684753 613725021 /nfs/dbraw/zinc/72/50/21/613725021.db2.gz XDRCSZMWVLVBML-QGZVFWFLSA-N 1 2 294.439 2.302 20 30 CEEDLO C=CCCCN(CC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000890809043 622995123 /nfs/dbraw/zinc/99/51/23/622995123.db2.gz IEUARZRWMIOGGB-SQFISAMPSA-N 1 2 280.412 2.080 20 30 CEEDLO C=CC(C)(C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000891267150 623342240 /nfs/dbraw/zinc/34/22/40/623342240.db2.gz PMRPWHBJTRNKMZ-HNNXBMFYSA-N 1 2 288.391 2.350 20 30 CEEDLO C=CC(C)(C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000891267150 623342247 /nfs/dbraw/zinc/34/22/47/623342247.db2.gz PMRPWHBJTRNKMZ-HNNXBMFYSA-N 1 2 288.391 2.350 20 30 CEEDLO CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)c1cccc(C#N)c1O ZINC000926139382 623532111 /nfs/dbraw/zinc/53/21/11/623532111.db2.gz ZBDALBUGXBXZRY-WSHAHDTKSA-N 1 2 280.393 2.072 20 30 CEEDLO C[C@H](C#N)C[N@H+](C1CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892192937 624400511 /nfs/dbraw/zinc/40/05/11/624400511.db2.gz BEWNKISSMZFEDB-KWCYVHTRSA-N 1 2 282.359 2.244 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C1CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892192937 624400513 /nfs/dbraw/zinc/40/05/13/624400513.db2.gz BEWNKISSMZFEDB-KWCYVHTRSA-N 1 2 282.359 2.244 20 30 CEEDLO C=C1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000892230488 624440120 /nfs/dbraw/zinc/44/01/20/624440120.db2.gz ZYGMIPFMPHSICD-UHFFFAOYSA-N 1 2 262.357 2.025 20 30 CEEDLO Cc1cc(F)c(C#N)c(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000892244445 624450487 /nfs/dbraw/zinc/45/04/87/624450487.db2.gz JDDDDEIQAIBUIX-LBPRGKRZSA-N 1 2 277.343 2.138 20 30 CEEDLO Cc1cc(F)c(C#N)c(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000892244445 624450490 /nfs/dbraw/zinc/45/04/90/624450490.db2.gz JDDDDEIQAIBUIX-LBPRGKRZSA-N 1 2 277.343 2.138 20 30 CEEDLO C[C@@](CO)([NH2+]CCC#N)c1cccc(Br)c1 ZINC000934496497 624540291 /nfs/dbraw/zinc/54/02/91/624540291.db2.gz 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/nfs/dbraw/zinc/52/71/01/634527101.db2.gz AVIICAOZKNKLMB-UHFFFAOYSA-N 1 2 283.331 2.057 20 30 CEEDLO CNC(=S)N(C)[NH+]=C1CCCNc2ccccc21 ZINC000841647113 627682657 /nfs/dbraw/zinc/68/26/57/627682657.db2.gz WBIZQPBBOXQHJH-UHFFFAOYSA-N 1 2 262.382 2.033 20 30 CEEDLO Nc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c[nH+]1 ZINC000821028151 634608168 /nfs/dbraw/zinc/60/81/68/634608168.db2.gz PKQUOQJOPXTMBZ-RJRFIUFISA-N 1 2 282.299 2.331 20 30 CEEDLO N#CCCCC[NH2+]Cc1ncc(Br)cc1O ZINC000892930096 627856489 /nfs/dbraw/zinc/85/64/89/627856489.db2.gz QOVLMEFNRNHPRO-UHFFFAOYSA-N 1 2 284.157 2.333 20 30 CEEDLO N#CC[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000821195678 634651412 /nfs/dbraw/zinc/65/14/12/634651412.db2.gz CRYUJBGUFDQKOQ-JQWIXIFHSA-N 1 2 268.320 2.375 20 30 CEEDLO Cc1cc(C[N@@H+]2Cc3nc(C)[nH]c(=O)c3C2)ccc1C#N ZINC000931313241 628514186 /nfs/dbraw/zinc/51/41/86/628514186.db2.gz FLXRBCGVAXALKN-UHFFFAOYSA-N 1 2 280.331 2.187 20 30 CEEDLO Cc1cc(C[N@H+]2Cc3nc(C)[nH]c(=O)c3C2)ccc1C#N ZINC000931313241 628514188 /nfs/dbraw/zinc/51/41/88/628514188.db2.gz FLXRBCGVAXALKN-UHFFFAOYSA-N 1 2 280.331 2.187 20 30 CEEDLO C=CCOCCCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000893476319 628643241 /nfs/dbraw/zinc/64/32/41/628643241.db2.gz XYVFCKHDVCEUGW-UHFFFAOYSA-N 1 2 292.379 2.288 20 30 CEEDLO CC#CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794637 628846092 /nfs/dbraw/zinc/84/60/92/628846092.db2.gz NTDLQJHVXJQTEN-INIZCTEOSA-N 1 2 251.333 2.381 20 30 CEEDLO CC#CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794637 628846096 /nfs/dbraw/zinc/84/60/96/628846096.db2.gz NTDLQJHVXJQTEN-INIZCTEOSA-N 1 2 251.333 2.381 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1csc(C#N)c1 ZINC000893930342 629049847 /nfs/dbraw/zinc/04/98/47/629049847.db2.gz YWEGILZSWGCELV-XBFCOCLRSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1csc(C#N)c1 ZINC000893930342 629049850 /nfs/dbraw/zinc/04/98/50/629049850.db2.gz YWEGILZSWGCELV-XBFCOCLRSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@H]1[C@@H](C[N@H+](CCC#N)CCC(C)C)C1(F)F ZINC000894003841 629083515 /nfs/dbraw/zinc/08/35/15/629083515.db2.gz SSSXMNOKIOSLGQ-VXGBXAGGSA-N 1 2 288.338 2.302 20 30 CEEDLO COC(=O)[C@H]1[C@@H](C[N@@H+](CCC#N)CCC(C)C)C1(F)F ZINC000894003841 629083518 /nfs/dbraw/zinc/08/35/18/629083518.db2.gz SSSXMNOKIOSLGQ-VXGBXAGGSA-N 1 2 288.338 2.302 20 30 CEEDLO C=CC(C)(C)CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894058699 629107637 /nfs/dbraw/zinc/10/76/37/629107637.db2.gz QNYHRBPTBKNRDP-NSHDSACASA-N 1 2 264.373 2.284 20 30 CEEDLO C=CC(C)(C)CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894058699 629107638 /nfs/dbraw/zinc/10/76/38/629107638.db2.gz QNYHRBPTBKNRDP-NSHDSACASA-N 1 2 264.373 2.284 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OCC)C(=O)OC ZINC000878691601 629264274 /nfs/dbraw/zinc/26/42/74/629264274.db2.gz GDYZXVOXPCNXRM-FRRDWIJNSA-N 1 2 255.358 2.041 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)Nc1[nH+]cnc2c1cnn2C ZINC000794788391 629319906 /nfs/dbraw/zinc/31/99/06/629319906.db2.gz SREYPUUWJSPNIT-CQSZACIVSA-N 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631460085 /nfs/dbraw/zinc/46/00/85/631460085.db2.gz QALXZFRNXZORJB-HNNXBMFYSA-N 1 2 280.368 2.125 20 30 CEEDLO CC(C)(C)n1cc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000897632589 631838743 /nfs/dbraw/zinc/83/87/43/631838743.db2.gz NZSVPUUORVLEQO-UHFFFAOYSA-N 1 2 275.381 2.256 20 30 CEEDLO N#CC[C@@H](O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000809576253 632104166 /nfs/dbraw/zinc/10/41/66/632104166.db2.gz SQCUNCQCLYJMNK-WBVHZDCISA-N 1 2 281.359 2.168 20 30 CEEDLO N#CC[C@@H](O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000809576253 632104168 /nfs/dbraw/zinc/10/41/68/632104168.db2.gz SQCUNCQCLYJMNK-WBVHZDCISA-N 1 2 281.359 2.168 20 30 CEEDLO CC[C@H]([NH2+]C[C@H](O)CC#N)c1nc(C(F)(F)F)cs1 ZINC000809578849 632105461 /nfs/dbraw/zinc/10/54/61/632105461.db2.gz SHAYHQHURKIRRB-SFYZADRCSA-N 1 2 293.314 2.477 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898192184 632107235 /nfs/dbraw/zinc/10/72/35/632107235.db2.gz CZNGHWYLBWDLAS-CABCVRRESA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898192184 632107237 /nfs/dbraw/zinc/10/72/37/632107237.db2.gz CZNGHWYLBWDLAS-CABCVRRESA-N 1 2 265.328 2.156 20 30 CEEDLO N#Cc1csc(C[NH2+]CC#Cc2ccccc2)n1 ZINC000810146624 632187362 /nfs/dbraw/zinc/18/73/62/632187362.db2.gz UGSXJRWXAUMYCW-UHFFFAOYSA-N 1 2 253.330 2.156 20 30 CEEDLO C#CCCc1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000810290787 632202479 /nfs/dbraw/zinc/20/24/79/632202479.db2.gz YTZHBLIDCFRREV-UHFFFAOYSA-N 1 2 292.342 2.471 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC000989883502 632257534 /nfs/dbraw/zinc/25/75/34/632257534.db2.gz KARWGPXUSXYXND-BXKDBHETSA-N 1 2 278.730 2.117 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC000989883502 632257538 /nfs/dbraw/zinc/25/75/38/632257538.db2.gz KARWGPXUSXYXND-BXKDBHETSA-N 1 2 278.730 2.117 20 30 CEEDLO C=CCNC(=S)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814714829 632884201 /nfs/dbraw/zinc/88/42/01/632884201.db2.gz CNAGDGCJZJEKRX-SNVBAGLBSA-N 1 2 286.404 2.344 20 30 CEEDLO CC(=[NH+]N[C@H]1CCCOC1)c1cc(F)c(N)c(F)c1 ZINC000814908254 632922264 /nfs/dbraw/zinc/92/22/64/632922264.db2.gz LMJCKHPTWUVFHA-JTQLQIEISA-N 1 2 269.295 2.040 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1c(F)cccc1F ZINC000815169392 632975623 /nfs/dbraw/zinc/97/56/23/632975623.db2.gz BVDFFICFWPEOKQ-JTQLQIEISA-N 1 2 254.280 2.325 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1c(F)cccc1F ZINC000815169392 632975625 /nfs/dbraw/zinc/97/56/25/632975625.db2.gz BVDFFICFWPEOKQ-JTQLQIEISA-N 1 2 254.280 2.325 20 30 CEEDLO CCCN1C[C@H](C/[NH+]=C/c2ccccc2O)CC1=O ZINC000817708430 633724317 /nfs/dbraw/zinc/72/43/17/633724317.db2.gz XODGRHYMFSWVHA-SEJMYLSOSA-N 1 2 260.337 2.070 20 30 CEEDLO CC(C)Cc1ccc(C=NNc2[nH+]ccn2C)cn1 ZINC000901236777 634000788 /nfs/dbraw/zinc/00/07/88/634000788.db2.gz WIAUVQIUXQAZFS-UHFFFAOYSA-N 1 2 257.341 2.460 20 30 CEEDLO Cc1nn(C(C)C)c(C)c1C=NNCCCn1cc[nH+]c1 ZINC000901262490 634025672 /nfs/dbraw/zinc/02/56/72/634025672.db2.gz ZBPIJJAASWESDN-UHFFFAOYSA-N 1 2 288.399 2.291 20 30 CEEDLO Cn1c[nH+]cc1/C=C1/S/C(=N/C2CCCCC2)NC1=O ZINC000901432494 634112215 /nfs/dbraw/zinc/11/22/15/634112215.db2.gz YLLUPNUNZQBKBI-KPKJPENVSA-N 1 2 290.392 2.313 20 30 CEEDLO COc1cc2c(cc1OC)C(=O)/C(=C/c1c[nH+]cn1C)C2 ZINC000901500674 634146109 /nfs/dbraw/zinc/14/61/09/634146109.db2.gz DJDWGVDTIOPHSU-VZUCSPMQSA-N 1 2 284.315 2.260 20 30 CEEDLO CCn1c[nH+]cc1C=C1CCc2[nH]c(=O)ccc2C1=O ZINC000901485627 634153393 /nfs/dbraw/zinc/15/33/93/634153393.db2.gz MNMSADSZFWPCMN-JXMROGBWSA-N 1 2 269.304 2.216 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2cccnc21 ZINC000901618008 634213827 /nfs/dbraw/zinc/21/38/27/634213827.db2.gz AILHKIVLXAONPR-JSGCOSHPSA-N 1 2 254.337 2.492 20 30 CEEDLO Cc1cc(N=NCc2c[nH+]cn2C(C)C)nc(C)n1 ZINC000819806156 634268033 /nfs/dbraw/zinc/26/80/33/634268033.db2.gz LGDCGTLZMSOURU-UHFFFAOYSA-N 1 2 258.329 2.317 20 30 CEEDLO Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c(C#N)cn1 ZINC000819920065 634282132 /nfs/dbraw/zinc/28/21/32/634282132.db2.gz FORWMFKBTNPYQI-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c(C#N)cn1 ZINC000819920065 634282143 /nfs/dbraw/zinc/28/21/43/634282143.db2.gz FORWMFKBTNPYQI-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO C=C(Cl)CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000820115679 634335758 /nfs/dbraw/zinc/33/57/58/634335758.db2.gz KOFDMAKNNGNKJM-MRVPVSSYSA-N 1 2 281.665 2.245 20 30 CEEDLO C[C@@H](NCc1nc(C#N)cs1)c1cn2c([nH+]1)CCCC2 ZINC000903262333 635034746 /nfs/dbraw/zinc/03/47/46/635034746.db2.gz DEDSNQZEXQAWTI-SNVBAGLBSA-N 1 2 287.392 2.398 20 30 CEEDLO C#CCN(CC(=O)OC(C)(C)C)Cc1cccc2[nH+]ccn21 ZINC000826991002 636179258 /nfs/dbraw/zinc/17/92/58/636179258.db2.gz QWRVBLKPMCXMBE-UHFFFAOYSA-N 1 2 299.374 2.111 20 30 CEEDLO CC(=NN[C@@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905463114 636293880 /nfs/dbraw/zinc/29/38/80/636293880.db2.gz ZQVUMTHLNOZKGE-OAHLLOKOSA-N 1 2 284.363 2.365 20 30 CEEDLO C#CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C(C)C ZINC000905748540 636409913 /nfs/dbraw/zinc/40/99/13/636409913.db2.gz 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267.402 2.073 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCCC(=O)OC)c(O)c1 ZINC000920944885 641213492 /nfs/dbraw/zinc/21/34/92/641213492.db2.gz UGOUWSARALADEN-GDNBJRDFSA-N 1 2 265.309 2.163 20 30 CEEDLO CC(=O)C1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000846936959 641490365 /nfs/dbraw/zinc/49/03/65/641490365.db2.gz DOAURCUONCUUOW-UHFFFAOYSA-N 1 2 287.319 2.267 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccnc1Cl ZINC000846987399 641510379 /nfs/dbraw/zinc/51/03/79/641510379.db2.gz NBVHVPDSYMSFOQ-VHSXEESVSA-N 1 2 280.759 2.344 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)ncnc2N(C)C)C1 ZINC000847019054 641524889 /nfs/dbraw/zinc/52/48/89/641524889.db2.gz OEUSURMVZOVWDR-LLVKDONJSA-N 1 2 278.787 2.041 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)ncnc2N(C)C)C1 ZINC000847019054 641524894 /nfs/dbraw/zinc/52/48/94/641524894.db2.gz OEUSURMVZOVWDR-LLVKDONJSA-N 1 2 278.787 2.041 20 30 CEEDLO NC(Cc1ccccc1)=[NH+]OCCOCC(F)(F)F ZINC000181589139 641573173 /nfs/dbraw/zinc/57/31/73/641573173.db2.gz 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C=CC[N@H+](CN1C(=O)C[C@H]1c1ccccc1)[C@@H](C)COC ZINC000853532918 643804344 /nfs/dbraw/zinc/80/43/44/643804344.db2.gz PRSMEISNSOQKAP-HOCLYGCPSA-N 1 2 288.391 2.440 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@H]1c1ccccc1)[C@@H](C)COC ZINC000853532918 643804347 /nfs/dbraw/zinc/80/43/47/643804347.db2.gz PRSMEISNSOQKAP-HOCLYGCPSA-N 1 2 288.391 2.440 20 30 CEEDLO N#CC1(COC(=O)c2ccc(N)c(-n3cc[nH+]c3)c2)CCC1 ZINC000838098010 643841720 /nfs/dbraw/zinc/84/17/20/643841720.db2.gz SUMPVKOKIQZLLG-UHFFFAOYSA-N 1 2 296.330 2.305 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCc1cn(CC)nn1 ZINC000853821347 643910421 /nfs/dbraw/zinc/91/04/21/643910421.db2.gz BGFQHGVQPBXKAW-UHFFFAOYSA-N 1 2 285.351 2.097 20 30 CEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)C(=O)OC ZINC000839168138 644176609 /nfs/dbraw/zinc/17/66/09/644176609.db2.gz ISJZBZXOGPBHJB-JYJNAYRXSA-N 1 2 271.360 2.477 20 30 CEEDLO C#CC[C@@H]([NH2+]C1CCC(CCC)CC1)C(=O)OC ZINC000839168927 644177522 /nfs/dbraw/zinc/17/75/22/644177522.db2.gz ORRVGZJCWBHFPP-JXQTWKCFSA-N 1 2 251.370 2.500 20 30 CEEDLO C=C[C@@H](C)ONC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855026678 644233556 /nfs/dbraw/zinc/23/35/56/644233556.db2.gz MNFYXKYOFHEEMQ-GDBMZVCRSA-N 1 2 288.391 2.488 20 30 CEEDLO C#CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000753968649 644305988 /nfs/dbraw/zinc/30/59/88/644305988.db2.gz NWMASSXPDQPICH-ZDUSSCGKSA-N 1 2 294.757 2.365 20 30 CEEDLO C#CC[N@@H+](C/C=C\C(=O)OCC)Cc1ccc(F)cc1 ZINC000756091366 644602949 /nfs/dbraw/zinc/60/29/49/644602949.db2.gz GIVUMAMDNCLKTC-WAYWQWQTSA-N 1 2 275.323 2.380 20 30 CEEDLO C#CC[N@H+](C/C=C\C(=O)OCC)Cc1ccc(F)cc1 ZINC000756091366 644602952 /nfs/dbraw/zinc/60/29/52/644602952.db2.gz GIVUMAMDNCLKTC-WAYWQWQTSA-N 1 2 275.323 2.380 20 30 CEEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000756644985 644677824 /nfs/dbraw/zinc/67/78/24/644677824.db2.gz MMQNHRDRHHYVIK-GFCCVEGCSA-N 1 2 293.436 2.317 20 30 CEEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000756644985 644677830 /nfs/dbraw/zinc/67/78/30/644677830.db2.gz MMQNHRDRHHYVIK-GFCCVEGCSA-N 1 2 293.436 2.317 20 30 CEEDLO C(=[NH+]NC1CCOCC1)c1ccc(N2CCCCC2)o1 ZINC000757588940 644822114 /nfs/dbraw/zinc/82/21/14/644822114.db2.gz BSPSFXQCFNAFQQ-UHFFFAOYSA-N 1 2 277.368 2.372 20 30 CEEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000757885381 644853898 /nfs/dbraw/zinc/85/38/98/644853898.db2.gz IIAPBPWJRIWZFV-UHFFFAOYSA-N 1 2 276.405 2.196 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)C1 ZINC000758252014 644909307 /nfs/dbraw/zinc/90/93/07/644909307.db2.gz AIDIQXOQFHHKSY-UHFFFAOYSA-N 1 2 299.365 2.114 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)C1 ZINC000758252014 644909311 /nfs/dbraw/zinc/90/93/11/644909311.db2.gz AIDIQXOQFHHKSY-UHFFFAOYSA-N 1 2 299.365 2.114 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)ccc1F ZINC000758708381 644952635 /nfs/dbraw/zinc/95/26/35/644952635.db2.gz LYXSVSNSSSEDTH-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc1F ZINC000758708381 644952638 /nfs/dbraw/zinc/95/26/38/644952638.db2.gz LYXSVSNSSSEDTH-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCC2(C)OCCO2)c(O)c1 ZINC000758814421 644959792 /nfs/dbraw/zinc/95/97/92/644959792.db2.gz FSWZUFGEMDHEEU-LFIBNONCSA-N 1 2 279.336 2.363 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cc(O)ccc1Cl)[C@H]1CCCO1 ZINC000859258502 645439503 /nfs/dbraw/zinc/43/95/03/645439503.db2.gz OYAZDKDRPLVWLU-UONOGXRCSA-N 1 2 265.740 2.316 20 30 CEEDLO Cc1nn(C[NH+]2CCC(C#N)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764947427 645713534 /nfs/dbraw/zinc/71/35/34/645713534.db2.gz NWNGPJFXOOCIRB-UHFFFAOYSA-N 1 2 299.334 2.446 20 30 CEEDLO COc1cccc([C@@H](O)C2CC[NH+](CCC#N)CC2)c1 ZINC000860144827 645715151 /nfs/dbraw/zinc/71/51/51/645715151.db2.gz XFEDGLRCMZZIRT-INIZCTEOSA-N 1 2 274.364 2.354 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000878210844 651037469 /nfs/dbraw/zinc/03/74/69/651037469.db2.gz VUDHCOGBAPGYNT-CQSZACIVSA-N 1 2 291.347 2.023 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000878210844 651037471 /nfs/dbraw/zinc/03/74/71/651037471.db2.gz VUDHCOGBAPGYNT-CQSZACIVSA-N 1 2 291.347 2.023 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCCOC2)ccc1F ZINC000769876563 646329442 /nfs/dbraw/zinc/32/94/42/646329442.db2.gz FPIJVUIFWSVEHV-LLVKDONJSA-N 1 2 266.316 2.198 20 30 CEEDLO C=CCOc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000771902222 646567866 /nfs/dbraw/zinc/56/78/66/646567866.db2.gz WKLCPEHBFCFIRU-UHFFFAOYSA-N 1 2 272.304 2.305 20 30 CEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccccc2C)CC1 ZINC000772123427 646596852 /nfs/dbraw/zinc/59/68/52/646596852.db2.gz RFTVEUNVOXAJNW-UHFFFAOYSA-N 1 2 299.370 2.066 20 30 CEEDLO CN(C)c1c(C=[NH+]OC[C@H]2CCOC2)ccc(F)c1F ZINC000863107361 646638360 /nfs/dbraw/zinc/63/83/60/646638360.db2.gz NISODBVSJBRESB-JTQLQIEISA-N 1 2 284.306 2.418 20 30 CEEDLO c1ccc(N2CCC(=NOC3CCOCC3)CC2)[nH+]c1 ZINC000774435354 646847209 /nfs/dbraw/zinc/84/72/09/646847209.db2.gz TWANNCHFIHCYQY-UHFFFAOYSA-N 1 2 275.352 2.233 20 30 CEEDLO Clc1cccc(C#CC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000119766133 646865099 /nfs/dbraw/zinc/86/50/99/646865099.db2.gz AWBFXDZEWNKTBT-UHFFFAOYSA-N 1 2 277.751 2.140 20 30 CEEDLO Clc1cccc(C#CC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000119766133 646865104 /nfs/dbraw/zinc/86/51/04/646865104.db2.gz AWBFXDZEWNKTBT-UHFFFAOYSA-N 1 2 277.751 2.140 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)[C@@H]1CCCO1 ZINC000775340862 646942585 /nfs/dbraw/zinc/94/25/85/646942585.db2.gz IQPARHZWOYUCAW-SJORKVTESA-N 1 2 295.386 2.202 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)[C@H]1CCCO1 ZINC000775571618 646967220 /nfs/dbraw/zinc/96/72/20/646967220.db2.gz IRCRYTOIDWCQGH-JLJPHGGASA-N 1 2 296.374 2.099 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000775795774 646994098 /nfs/dbraw/zinc/99/40/98/646994098.db2.gz PTVGBLNLUXQUFV-KBPBESRZSA-N 1 2 299.399 2.476 20 30 CEEDLO C=C(C)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000864530919 647037499 /nfs/dbraw/zinc/03/74/99/647037499.db2.gz PPQRNVGXZUXEHW-HNNXBMFYSA-N 1 2 285.347 2.381 20 30 CEEDLO C=CC[C@H](CO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776256429 647043287 /nfs/dbraw/zinc/04/32/87/647043287.db2.gz OPMLSGCQUKZCLM-VIFPVBQESA-N 1 2 273.735 2.459 20 30 CEEDLO C#CCCCCCC(=O)NCCNc1cccc[nH+]1 ZINC000780340473 647418643 /nfs/dbraw/zinc/41/86/43/647418643.db2.gz XYKOVYYNZSUKBH-UHFFFAOYSA-N 1 2 259.353 2.193 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780498506 647434332 /nfs/dbraw/zinc/43/43/32/647434332.db2.gz NNALCBGNYKCXJB-LBPRGKRZSA-N 1 2 281.429 2.321 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780498506 647434335 /nfs/dbraw/zinc/43/43/35/647434335.db2.gz NNALCBGNYKCXJB-LBPRGKRZSA-N 1 2 281.429 2.321 20 30 CEEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865733603 647444060 /nfs/dbraw/zinc/44/40/60/647444060.db2.gz NFXRMZSTSUTAAG-AWEZNQCLSA-N 1 2 277.368 2.038 20 30 CEEDLO Cn1c2ccccc2[nH+]c1NCc1ccc(C#N)cn1 ZINC000780611539 647450934 /nfs/dbraw/zinc/45/09/34/647450934.db2.gz RBZBIJAAYQYEDW-UHFFFAOYSA-N 1 2 263.304 2.452 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866241290 647689641 /nfs/dbraw/zinc/68/96/41/647689641.db2.gz APCJNHIUPIEOCJ-AAEUAGOBSA-N 1 2 260.337 2.484 20 30 CEEDLO Cc1nc(N[C@H]2Cc3ccc(C#N)cc3C2)cc[nH+]1 ZINC000866259467 647699957 /nfs/dbraw/zinc/69/99/57/647699957.db2.gz MQYIRSUGYNVCQT-AWEZNQCLSA-N 1 2 250.305 2.236 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1O ZINC000866259174 647700660 /nfs/dbraw/zinc/70/06/60/647700660.db2.gz JDYGFHKNCKZROD-AAEUAGOBSA-N 1 2 271.364 2.151 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(C#N)c1O ZINC000866266582 647705137 /nfs/dbraw/zinc/70/51/37/647705137.db2.gz KWGHCCJWPYRVLB-GDLCADMTSA-N 1 2 260.337 2.218 20 30 CEEDLO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866267827 647706408 /nfs/dbraw/zinc/70/64/08/647706408.db2.gz UOMDQETVPZGBIG-GXTWGEPZSA-N 1 2 290.363 2.110 20 30 CEEDLO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866270066 647708460 /nfs/dbraw/zinc/70/84/60/647708460.db2.gz IUNLYNJRFASRQX-OUJBWJOFSA-N 1 2 280.393 2.027 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(C#N)c1O ZINC000866285270 647717042 /nfs/dbraw/zinc/71/70/42/647717042.db2.gz LPQHTYDGDYQINX-ZWNOBZJWSA-N 1 2 282.347 2.195 20 30 CEEDLO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc(C#N)c1O ZINC000866294382 647720523 /nfs/dbraw/zinc/72/05/23/647720523.db2.gz HWONSFHYCLXTBP-NSHDSACASA-N 1 2 289.379 2.219 20 30 CEEDLO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C#N)c1O ZINC000866310297 647729689 /nfs/dbraw/zinc/72/96/89/647729689.db2.gz MKBUFGCUEWYINB-MFKMUULPSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H](CCCCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866363945 647756440 /nfs/dbraw/zinc/75/64/40/647756440.db2.gz OFFWBOMRXMXWLI-NEPJUHHUSA-N 1 2 262.353 2.466 20 30 CEEDLO C[C@@H]([NH2+]CC1=CCOCC1)c1cccc(C#N)c1O ZINC000866366379 647758727 /nfs/dbraw/zinc/75/87/27/647758727.db2.gz MHGLBERDCOEAMY-LLVKDONJSA-N 1 2 258.321 2.261 20 30 CEEDLO C[C@H](CCO)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866365421 647758763 /nfs/dbraw/zinc/75/87/63/647758763.db2.gz GNUXOIKLHDPSRF-RYUDHWBXSA-N 1 2 262.353 2.323 20 30 CEEDLO Cc1ncc(C[NH2+][C@H](C)c2cccc(C#N)c2O)o1 ZINC000866370905 647761455 /nfs/dbraw/zinc/76/14/55/647761455.db2.gz BSBQTKXDMLKPEI-SECBINFHSA-N 1 2 257.293 2.411 20 30 CEEDLO CCn1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866373054 647762605 /nfs/dbraw/zinc/76/26/05/647762605.db2.gz LKCDSYRLIIHJKC-LLVKDONJSA-N 1 2 270.336 2.331 20 30 CEEDLO N#Cc1ccc(C(=O)OCCCn2cc[nH+]c2)s1 ZINC000783998099 647784928 /nfs/dbraw/zinc/78/49/28/647784928.db2.gz MPWHWTYNTIGCJB-UHFFFAOYSA-N 1 2 261.306 2.063 20 30 CEEDLO Cc1ccc(NC(=O)CC(C)(C)C#N)c(N(C)C)[nH+]1 ZINC000784360354 647841471 /nfs/dbraw/zinc/84/14/71/647841471.db2.gz JMMWXZZXQLQYSZ-UHFFFAOYSA-N 1 2 260.341 2.334 20 30 CEEDLO C[C@H]1CC[N@H+](CCCC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789067 647964305 /nfs/dbraw/zinc/96/43/05/647964305.db2.gz XXVHCACYFIIGSD-DCAQKATOSA-N 1 2 291.317 2.068 20 30 CEEDLO C[C@H]1CC[N@@H+](CCCC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789067 647964306 /nfs/dbraw/zinc/96/43/06/647964306.db2.gz XXVHCACYFIIGSD-DCAQKATOSA-N 1 2 291.317 2.068 20 30 CEEDLO Cc1nc(CCO[NH+]=C(N)c2ccc(F)cc2)cs1 ZINC000790488830 648422267 /nfs/dbraw/zinc/42/22/67/648422267.db2.gz GCTCFRPNQDLFMW-UHFFFAOYSA-N 1 2 279.340 2.470 20 30 CEEDLO C=CCCCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000790504845 648423735 /nfs/dbraw/zinc/42/37/35/648423735.db2.gz NERLBDRHOYCSNL-UHFFFAOYSA-N 1 2 277.368 2.472 20 30 CEEDLO N#Cc1ccc(CCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791644970 648551880 /nfs/dbraw/zinc/55/18/80/648551880.db2.gz WYTFYSQENVDEHF-UHFFFAOYSA-N 1 2 281.315 2.211 20 30 CEEDLO C=CCCC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870149319 648713528 /nfs/dbraw/zinc/71/35/28/648713528.db2.gz HYJGDIWPVPJBHN-HNNXBMFYSA-N 1 2 274.364 2.134 20 30 CEEDLO CCc1[nH+]ccn1[C@@H](C)CC(=O)NOc1cccc(C#N)c1 ZINC000870690096 648880537 /nfs/dbraw/zinc/88/05/37/648880537.db2.gz JJYPBGPELKDXSS-LBPRGKRZSA-N 1 2 298.346 2.378 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@](C)(O)CC2)c1=S ZINC000794674359 648901727 /nfs/dbraw/zinc/90/17/27/648901727.db2.gz ZVAVQLIXHBOYDV-AWEZNQCLSA-N 1 2 296.440 2.103 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@](C)(O)CC2)c1=S ZINC000794674359 648901728 /nfs/dbraw/zinc/90/17/28/648901728.db2.gz ZVAVQLIXHBOYDV-AWEZNQCLSA-N 1 2 296.440 2.103 20 30 CEEDLO CC(C)(C)c1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000123357898 648933246 /nfs/dbraw/zinc/93/32/46/648933246.db2.gz RKHAJHPUNRVULN-UHFFFAOYSA-N 1 2 288.351 2.399 20 30 CEEDLO Cc1nonc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000872136733 649289219 /nfs/dbraw/zinc/28/92/19/649289219.db2.gz ONAHWLJAVGCYBP-MRVPVSSYSA-N 1 2 260.272 2.240 20 30 CEEDLO C(=NNCCCn1cc[nH+]c1)c1cc2c([nH]1)CCCC2 ZINC000872387429 649376713 /nfs/dbraw/zinc/37/67/13/649376713.db2.gz MZFWPJPHWVHJAD-UHFFFAOYSA-N 1 2 271.368 2.104 20 30 CEEDLO Cc1c(C=NNCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000872387001 649376949 /nfs/dbraw/zinc/37/69/49/649376949.db2.gz BUFNHAYRKDHZCE-UHFFFAOYSA-N 1 2 287.323 2.114 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872600729 649436785 /nfs/dbraw/zinc/43/67/85/649436785.db2.gz MSZIGYOTRHGPCY-OAHLLOKOSA-N 1 2 258.365 2.153 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872600729 649436788 /nfs/dbraw/zinc/43/67/88/649436788.db2.gz MSZIGYOTRHGPCY-OAHLLOKOSA-N 1 2 258.365 2.153 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2c(cccc2OC)C1 ZINC000878400318 651085250 /nfs/dbraw/zinc/08/52/50/651085250.db2.gz BHQWJHJLMYACMD-AWEZNQCLSA-N 1 2 275.348 2.171 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2c(cccc2OC)C1 ZINC000878400318 651085251 /nfs/dbraw/zinc/08/52/51/651085251.db2.gz BHQWJHJLMYACMD-AWEZNQCLSA-N 1 2 275.348 2.171 20 30 CEEDLO Cc1cc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc(Cl)n1 ZINC000878773410 651183459 /nfs/dbraw/zinc/18/34/59/651183459.db2.gz XIKCAAWSPLEGGT-BETUJISGSA-N 1 2 292.814 2.462 20 30 CEEDLO Cc1cc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc(Cl)n1 ZINC000878773410 651183461 /nfs/dbraw/zinc/18/34/61/651183461.db2.gz XIKCAAWSPLEGGT-BETUJISGSA-N 1 2 292.814 2.462 20 30 CEEDLO C=C(Cl)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000879446262 651305254 /nfs/dbraw/zinc/30/52/54/651305254.db2.gz YGVAGIQEMJXBLA-UHFFFAOYSA-N 1 2 266.772 2.262 20 30 CEEDLO C[C@]1(C(F)(F)F)C[N@H+](CCCSCC#N)CCO1 ZINC000879504838 651313583 /nfs/dbraw/zinc/31/35/83/651313583.db2.gz OWWJFGMWPOUITO-SNVBAGLBSA-N 1 2 282.331 2.286 20 30 CEEDLO C[C@]1(C(F)(F)F)C[N@@H+](CCCSCC#N)CCO1 ZINC000879504838 651313584 /nfs/dbraw/zinc/31/35/84/651313584.db2.gz OWWJFGMWPOUITO-SNVBAGLBSA-N 1 2 282.331 2.286 20 30 CEEDLO Cc1ccc(NCCCCn2cc[nH+]c2)c(C#N)n1 ZINC000882160711 651985295 /nfs/dbraw/zinc/98/52/95/651985295.db2.gz UVOXLGMEASKSQQ-UHFFFAOYSA-N 1 2 255.325 2.351 20 30 CEEDLO C=C(C)C[C@@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000883006027 652320120 /nfs/dbraw/zinc/32/01/20/652320120.db2.gz HDTGCWWPTLDRKQ-NSHDSACASA-N 1 2 279.388 2.010 20 30 CEEDLO C=C(C)C[C@@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000883006027 652320126 /nfs/dbraw/zinc/32/01/26/652320126.db2.gz HDTGCWWPTLDRKQ-NSHDSACASA-N 1 2 279.388 2.010 20 30 CEEDLO C[C@H](C#N)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883602467 652511811 /nfs/dbraw/zinc/51/18/11/652511811.db2.gz TZLLXEODIIPQRG-UKRRQHHQSA-N 1 2 297.362 2.083 20 30 CEEDLO N#CCCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883606107 652512960 /nfs/dbraw/zinc/51/29/60/652512960.db2.gz ISBUHQNUBZXRLS-HNNXBMFYSA-N 1 2 297.362 2.227 20 30 CEEDLO C=CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771670 652556145 /nfs/dbraw/zinc/55/61/45/652556145.db2.gz KUXBEBACIVYGBT-HNNXBMFYSA-N 1 2 284.363 2.500 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnco2)[C@H]1CC ZINC001087677416 805770953 /nfs/dbraw/zinc/77/09/53/805770953.db2.gz OWUFGYIUZMCSMF-WDEREUQCSA-N 1 2 283.759 2.010 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H]1CC ZINC001087677416 805770957 /nfs/dbraw/zinc/77/09/57/805770957.db2.gz OWUFGYIUZMCSMF-WDEREUQCSA-N 1 2 283.759 2.010 20 30 CEEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2CCCCCCC2)C1 ZINC001271319343 805913818 /nfs/dbraw/zinc/91/38/18/805913818.db2.gz BKQLTMGLIUBGQE-UHFFFAOYSA-N 1 2 294.439 2.086 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC[C@H](OC)C2)C1 ZINC001042874084 806926190 /nfs/dbraw/zinc/92/61/90/806926190.db2.gz HUXBHXTVFQFSPM-HOCLYGCPSA-N 1 2 294.439 2.300 20 30 CEEDLO CCN(CC(C)(C)O)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001167156164 802545123 /nfs/dbraw/zinc/54/51/23/802545123.db2.gz AFRHXZDVFBXDOB-UHFFFAOYSA-N 1 2 258.325 2.032 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143381956 802820248 /nfs/dbraw/zinc/82/02/48/802820248.db2.gz RMDNYKWFAGYTQP-UHFFFAOYSA-N 1 2 260.356 2.193 20 30 CEEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC001117674858 814935843 /nfs/dbraw/zinc/93/58/43/814935843.db2.gz UQZLBUHLAISRLQ-IUODEOHRSA-N 1 2 282.347 2.388 20 30 CEEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001267261617 803304786 /nfs/dbraw/zinc/30/47/86/803304786.db2.gz WERZPIFSGXTVIA-CYBMUJFWSA-N 1 2 277.368 2.030 20 30 CEEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001267261617 803304793 /nfs/dbraw/zinc/30/47/93/803304793.db2.gz WERZPIFSGXTVIA-CYBMUJFWSA-N 1 2 277.368 2.030 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038349120 803672104 /nfs/dbraw/zinc/67/21/04/803672104.db2.gz IVIZKKZWWRKWQA-OAHLLOKOSA-N 1 2 285.391 2.032 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038349120 803672108 /nfs/dbraw/zinc/67/21/08/803672108.db2.gz IVIZKKZWWRKWQA-OAHLLOKOSA-N 1 2 285.391 2.032 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001038372557 803825413 /nfs/dbraw/zinc/82/54/13/803825413.db2.gz SUNYTKCJOJHMOY-NSHDSACASA-N 1 2 296.317 2.353 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001038372557 803825422 /nfs/dbraw/zinc/82/54/22/803825422.db2.gz SUNYTKCJOJHMOY-NSHDSACASA-N 1 2 296.317 2.353 20 30 CEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC)C1 ZINC001027256603 803997397 /nfs/dbraw/zinc/99/73/97/803997397.db2.gz GIFDJFOADYGWLE-LLVKDONJSA-N 1 2 289.217 2.228 20 30 CEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)CC)C1 ZINC001027256603 803997404 /nfs/dbraw/zinc/99/74/04/803997404.db2.gz GIFDJFOADYGWLE-LLVKDONJSA-N 1 2 289.217 2.228 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC001027754245 804239054 /nfs/dbraw/zinc/23/90/54/804239054.db2.gz NJRZBJYLRAHYBP-GFCCVEGCSA-N 1 2 268.744 2.226 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC001027754245 804239065 /nfs/dbraw/zinc/23/90/65/804239065.db2.gz NJRZBJYLRAHYBP-GFCCVEGCSA-N 1 2 268.744 2.226 20 30 CEEDLO Cc1ccnc(NCc2nc(C[NH+](C)C)cs2)c1C#N ZINC000722379830 804402871 /nfs/dbraw/zinc/40/28/71/804402871.db2.gz CVNNMXIJNNQEMJ-UHFFFAOYSA-N 1 2 287.392 2.392 20 30 CEEDLO CCCCCCC[NH+]1CC(NC(=O)C(C)(F)F)C1 ZINC001268238733 804566490 /nfs/dbraw/zinc/56/64/90/804566490.db2.gz GYADJFICNUWULU-UHFFFAOYSA-N 1 2 262.344 2.412 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+](CCOCC(C)C)C1 ZINC001268445699 804671848 /nfs/dbraw/zinc/67/18/48/804671848.db2.gz AVIYTHMKZXJOFV-MRXNPFEDSA-N 1 2 282.428 2.062 20 30 CEEDLO C=C(C)CCC(=O)N(CC)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC001268451746 804687333 /nfs/dbraw/zinc/68/73/33/804687333.db2.gz QXCIHZZWVMWHDL-LBPRGKRZSA-N 1 2 294.399 2.233 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CCCc2cccs2)C1 ZINC001268481401 804731931 /nfs/dbraw/zinc/73/19/31/804731931.db2.gz CNSVMFQWSLDHJP-UHFFFAOYSA-N 1 2 278.421 2.447 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)CC(C)(C)CC(F)F)C1 ZINC001269825011 805262216 /nfs/dbraw/zinc/26/22/16/805262216.db2.gz BWRIYPHCERRODS-UHFFFAOYSA-N 1 2 274.355 2.387 20 30 CEEDLO C=CC(C)(C)CCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001119232951 815077303 /nfs/dbraw/zinc/07/73/03/815077303.db2.gz MTIOUSPHWYOAKG-UHFFFAOYSA-N 1 2 276.384 2.401 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2CCCC3)C1 ZINC001030362819 807155115 /nfs/dbraw/zinc/15/51/15/807155115.db2.gz CZABXSURWASFGE-UHFFFAOYSA-N 1 2 282.387 2.003 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001030498791 807207519 /nfs/dbraw/zinc/20/75/19/807207519.db2.gz PXCHVGSXGLKUOX-UHFFFAOYSA-N 1 2 285.347 2.126 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001030508428 807211607 /nfs/dbraw/zinc/21/16/07/807211607.db2.gz YJJZYTATYHCQHN-UHFFFAOYSA-N 1 2 295.386 2.154 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001030687138 807317782 /nfs/dbraw/zinc/31/77/82/807317782.db2.gz PLEFOFNIULLFDE-UHFFFAOYSA-N 1 2 299.349 2.364 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2nccc3ccccc32)C1 ZINC001030863143 807440378 /nfs/dbraw/zinc/44/03/78/807440378.db2.gz GRENPNPGBUOZOP-UHFFFAOYSA-N 1 2 281.359 2.225 20 30 CEEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)CC1 ZINC001030900550 807469424 /nfs/dbraw/zinc/46/94/24/807469424.db2.gz TWILJSAYKLWRSY-XJKSGUPXSA-N 1 2 292.423 2.101 20 30 CEEDLO C#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001089296251 807546732 /nfs/dbraw/zinc/54/67/32/807546732.db2.gz APVGALXPRZUANT-CHWSQXEVSA-N 1 2 288.395 2.284 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001031010224 807583585 /nfs/dbraw/zinc/58/35/85/807583585.db2.gz RNVZZUDMKIQTRS-ZSHCYNCHSA-N 1 2 274.408 2.027 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001031086301 807641653 /nfs/dbraw/zinc/64/16/53/807641653.db2.gz NHOSGSMZVFUQSY-DLBZAZTESA-N 1 2 284.403 2.475 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ocnc2CC)C1 ZINC001046601979 807674244 /nfs/dbraw/zinc/67/42/44/807674244.db2.gz KBEPXIXFQUQRKW-CQSZACIVSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ocnc2CC)C1 ZINC001046601979 807674252 /nfs/dbraw/zinc/67/42/52/807674252.db2.gz KBEPXIXFQUQRKW-CQSZACIVSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001031268004 807861150 /nfs/dbraw/zinc/86/11/50/807861150.db2.gz BGUOIAXXZMUSGX-UHFFFAOYSA-N 1 2 297.402 2.395 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001031287499 807869758 /nfs/dbraw/zinc/86/97/58/807869758.db2.gz CMHOCTCXOXALBJ-UHFFFAOYSA-N 1 2 278.302 2.062 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001031334028 807918573 /nfs/dbraw/zinc/91/85/73/807918573.db2.gz DWUDVXXMIJSGDP-UHFFFAOYSA-N 1 2 278.783 2.259 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC(C)(C)C2)C1 ZINC001031645755 808037292 /nfs/dbraw/zinc/03/72/92/808037292.db2.gz QXCUHULOQMMIEE-UHFFFAOYSA-N 1 2 270.804 2.223 20 30 CEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001032563114 808702600 /nfs/dbraw/zinc/70/26/00/808702600.db2.gz OBIFHZZKMBWSSZ-WTIVYXKASA-N 1 2 268.788 2.236 20 30 CEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001032563114 808702604 /nfs/dbraw/zinc/70/26/04/808702604.db2.gz OBIFHZZKMBWSSZ-WTIVYXKASA-N 1 2 268.788 2.236 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001032684526 808785617 /nfs/dbraw/zinc/78/56/17/808785617.db2.gz AXDPXTXLHVCZTH-JLSDUUJJSA-N 1 2 296.414 2.271 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(CC)cc1 ZINC001032684526 808785619 /nfs/dbraw/zinc/78/56/19/808785619.db2.gz AXDPXTXLHVCZTH-JLSDUUJJSA-N 1 2 296.414 2.271 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CC(C)C)CC2)C1 ZINC001107989806 808797351 /nfs/dbraw/zinc/79/73/51/808797351.db2.gz ZWVNQMDWLXUEOS-MRXNPFEDSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CC(C)C)CC2)C1 ZINC001107989806 808797356 /nfs/dbraw/zinc/79/73/56/808797356.db2.gz ZWVNQMDWLXUEOS-MRXNPFEDSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001108037678 808945006 /nfs/dbraw/zinc/94/50/06/808945006.db2.gz GYODZPAOTDDDEQ-PBHICJAKSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001108037678 808945011 /nfs/dbraw/zinc/94/50/11/808945011.db2.gz GYODZPAOTDDDEQ-PBHICJAKSA-N 1 2 296.455 2.452 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033185228 809227114 /nfs/dbraw/zinc/22/71/14/809227114.db2.gz CIXAJLCONLLLQW-MNOVXSKESA-N 1 2 292.757 2.317 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033185228 809227119 /nfs/dbraw/zinc/22/71/19/809227119.db2.gz CIXAJLCONLLLQW-MNOVXSKESA-N 1 2 292.757 2.317 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC001033272984 809255769 /nfs/dbraw/zinc/25/57/69/809255769.db2.gz SJNGKKHTWMFKRV-LLVKDONJSA-N 1 2 285.750 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC001033272984 809255775 /nfs/dbraw/zinc/25/57/75/809255775.db2.gz SJNGKKHTWMFKRV-LLVKDONJSA-N 1 2 285.750 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2[nH]cnc2C)C1 ZINC001034054615 809484496 /nfs/dbraw/zinc/48/44/96/809484496.db2.gz OFNCBQKJWBEVCM-GFCCVEGCSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2[nH]cnc2C)C1 ZINC001034054615 809484505 /nfs/dbraw/zinc/48/45/05/809484505.db2.gz OFNCBQKJWBEVCM-GFCCVEGCSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035496034 809788072 /nfs/dbraw/zinc/78/80/72/809788072.db2.gz KEPZVVRFORHAJQ-CABCVRRESA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035496034 809788076 /nfs/dbraw/zinc/78/80/76/809788076.db2.gz KEPZVVRFORHAJQ-CABCVRRESA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001035584994 809790724 /nfs/dbraw/zinc/79/07/24/809790724.db2.gz AUTWVDQAZDHRQW-INIZCTEOSA-N 1 2 288.391 2.002 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001035584994 809790728 /nfs/dbraw/zinc/79/07/28/809790728.db2.gz AUTWVDQAZDHRQW-INIZCTEOSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CC[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375515348 810136593 /nfs/dbraw/zinc/13/65/93/810136593.db2.gz RFWPJNMORIHIBY-CHWSQXEVSA-N 1 2 276.384 2.274 20 30 CEEDLO C=CC[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375515350 810136876 /nfs/dbraw/zinc/13/68/76/810136876.db2.gz RFWPJNMORIHIBY-QWHCGFSZSA-N 1 2 276.384 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001015150998 810263337 /nfs/dbraw/zinc/26/33/37/810263337.db2.gz XWIYBNCGPORZIF-HNNXBMFYSA-N 1 2 292.810 2.481 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001015150998 810263343 /nfs/dbraw/zinc/26/33/43/810263343.db2.gz XWIYBNCGPORZIF-HNNXBMFYSA-N 1 2 292.810 2.481 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2conc2CC)C1 ZINC001080396981 810277706 /nfs/dbraw/zinc/27/77/06/810277706.db2.gz NFRMWWOCTONHGK-NOZJJQNGSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2conc2CC)C1 ZINC001080396981 810277712 /nfs/dbraw/zinc/27/77/12/810277712.db2.gz NFRMWWOCTONHGK-NOZJJQNGSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC001080826356 810312885 /nfs/dbraw/zinc/31/28/85/810312885.db2.gz FEHRWYKRGZJUKA-MWLCHTKSSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC001080826356 810312892 /nfs/dbraw/zinc/31/28/92/810312892.db2.gz FEHRWYKRGZJUKA-MWLCHTKSSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001015737121 810343232 /nfs/dbraw/zinc/34/32/32/810343232.db2.gz WIGWBRJAACOJHG-JHJVBQTASA-N 1 2 294.782 2.326 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001015737121 810343236 /nfs/dbraw/zinc/34/32/36/810343236.db2.gz WIGWBRJAACOJHG-JHJVBQTASA-N 1 2 294.782 2.326 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001015764014 810349969 /nfs/dbraw/zinc/34/99/69/810349969.db2.gz PSBLPSFBEVCRLK-LBPRGKRZSA-N 1 2 281.787 2.188 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001015764014 810349970 /nfs/dbraw/zinc/34/99/70/810349970.db2.gz PSBLPSFBEVCRLK-LBPRGKRZSA-N 1 2 281.787 2.188 20 30 CEEDLO Cc1nc(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)no1 ZINC001172313628 815365873 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CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001017334426 810511687 /nfs/dbraw/zinc/51/16/87/810511687.db2.gz DTCOZPUJNYRIIP-OKILXGFUSA-N 1 2 274.389 2.060 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001017334426 810511693 /nfs/dbraw/zinc/51/16/93/810511693.db2.gz DTCOZPUJNYRIIP-OKILXGFUSA-N 1 2 274.389 2.060 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Cl ZINC001017511594 810528993 /nfs/dbraw/zinc/52/89/93/810528993.db2.gz HXFRSHRCVODBAK-PHIMTYICSA-N 1 2 280.755 2.408 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Cl ZINC001017511594 810529001 /nfs/dbraw/zinc/52/90/01/810529001.db2.gz HXFRSHRCVODBAK-PHIMTYICSA-N 1 2 280.755 2.408 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017665577 810541929 /nfs/dbraw/zinc/54/19/29/810541929.db2.gz SNFQPKIVVARSLH-SOUVJXGZSA-N 1 2 276.424 2.367 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017665577 810541937 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C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1C1CC1 ZINC001017930789 810573659 /nfs/dbraw/zinc/57/36/59/810573659.db2.gz HOQUWMIMVYGQNO-BETUJISGSA-N 1 2 287.363 2.027 20 30 CEEDLO CC(C)c1nnc(C[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000822279761 810580482 /nfs/dbraw/zinc/58/04/82/810580482.db2.gz DLMUFRARMYHVDK-UHFFFAOYSA-N 1 2 254.337 2.069 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001018119329 810589026 /nfs/dbraw/zinc/58/90/26/810589026.db2.gz LRYVJIUGVFOPOH-YYIAUSFCSA-N 1 2 286.419 2.121 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001018119329 810589028 /nfs/dbraw/zinc/58/90/28/810589028.db2.gz LRYVJIUGVFOPOH-YYIAUSFCSA-N 1 2 286.419 2.121 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1C ZINC001018197756 810595869 /nfs/dbraw/zinc/59/58/69/810595869.db2.gz VDRYYLUUOWEDDB-GASCZTMLSA-N 1 2 286.350 2.056 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1C ZINC001018197756 810595872 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C=CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC#CC ZINC001038429536 810839802 /nfs/dbraw/zinc/83/98/02/810839802.db2.gz ZDNYDNYOVJYWSU-OAHLLOKOSA-N 1 2 298.386 2.079 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2ccoc21 ZINC001038426258 810839859 /nfs/dbraw/zinc/83/98/59/810839859.db2.gz UJSVUGFNRBITFN-ZDUSSCGKSA-N 1 2 286.306 2.009 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2ccoc21 ZINC001038426258 810839866 /nfs/dbraw/zinc/83/98/66/810839866.db2.gz UJSVUGFNRBITFN-ZDUSSCGKSA-N 1 2 286.306 2.009 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccc(C)cc21 ZINC001085694797 810878263 /nfs/dbraw/zinc/87/82/63/810878263.db2.gz QCQIPJBDHXXAIG-CYBMUJFWSA-N 1 2 298.390 2.204 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccc(C)cc21 ZINC001085694797 810878271 /nfs/dbraw/zinc/87/82/71/810878271.db2.gz QCQIPJBDHXXAIG-CYBMUJFWSA-N 1 2 298.390 2.204 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2ccco2)o1 ZINC001085715779 810888745 /nfs/dbraw/zinc/88/87/45/810888745.db2.gz UIXOSEVINUEELZ-CYBMUJFWSA-N 1 2 298.342 2.319 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2ccco2)o1 ZINC001085715779 810888750 /nfs/dbraw/zinc/88/87/50/810888750.db2.gz UIXOSEVINUEELZ-CYBMUJFWSA-N 1 2 298.342 2.319 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2ccsc2c1 ZINC001085761499 810902930 /nfs/dbraw/zinc/90/29/30/810902930.db2.gz LHNZRVQNCCZREH-ZDUSSCGKSA-N 1 2 299.399 2.076 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2ccsc2c1 ZINC001085761499 810902934 /nfs/dbraw/zinc/90/29/34/810902934.db2.gz LHNZRVQNCCZREH-ZDUSSCGKSA-N 1 2 299.399 2.076 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1CC ZINC001085802580 810920922 /nfs/dbraw/zinc/92/09/22/810920922.db2.gz XIHOAZJBNIDUMP-AWEZNQCLSA-N 1 2 274.364 2.012 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1CC ZINC001085802580 810920926 /nfs/dbraw/zinc/92/09/26/810920926.db2.gz XIHOAZJBNIDUMP-AWEZNQCLSA-N 1 2 274.364 2.012 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1Cl ZINC001085799889 810922810 /nfs/dbraw/zinc/92/28/10/810922810.db2.gz FMAIIIFDOVQAME-ZDUSSCGKSA-N 1 2 290.794 2.428 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1Cl ZINC001085799889 810922820 /nfs/dbraw/zinc/92/28/20/810922820.db2.gz FMAIIIFDOVQAME-ZDUSSCGKSA-N 1 2 290.794 2.428 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038929077 810948426 /nfs/dbraw/zinc/94/84/26/810948426.db2.gz GJTQUFVSGJEPNF-CQSZACIVSA-N 1 2 292.329 2.452 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038929077 810948435 /nfs/dbraw/zinc/94/84/35/810948435.db2.gz GJTQUFVSGJEPNF-CQSZACIVSA-N 1 2 292.329 2.452 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001038988837 810965159 /nfs/dbraw/zinc/96/51/59/810965159.db2.gz DYVBZKURKPIPDB-HNNXBMFYSA-N 1 2 278.355 2.277 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001038988837 810965161 /nfs/dbraw/zinc/96/51/61/810965161.db2.gz DYVBZKURKPIPDB-HNNXBMFYSA-N 1 2 278.355 2.277 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039053336 810975379 /nfs/dbraw/zinc/97/53/79/810975379.db2.gz ZVTPWFCGKCNNTC-ISXOHVOVSA-N 1 2 274.408 2.171 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039053336 810975382 /nfs/dbraw/zinc/97/53/82/810975382.db2.gz ZVTPWFCGKCNNTC-ISXOHVOVSA-N 1 2 274.408 2.171 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039046172 810975609 /nfs/dbraw/zinc/97/56/09/810975609.db2.gz KWGRXCHUGMLCAB-QGZVFWFLSA-N 1 2 282.387 2.391 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039046172 810975615 /nfs/dbraw/zinc/97/56/15/810975615.db2.gz KWGRXCHUGMLCAB-QGZVFWFLSA-N 1 2 282.387 2.391 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000713 811000477 /nfs/dbraw/zinc/00/04/77/811000477.db2.gz PEHXVVBTRLYCFU-ZDUSSCGKSA-N 1 2 282.343 2.212 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000713 811000483 /nfs/dbraw/zinc/00/04/83/811000483.db2.gz PEHXVVBTRLYCFU-ZDUSSCGKSA-N 1 2 282.343 2.212 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(C)(C)C)C1 ZINC001108290182 811199622 /nfs/dbraw/zinc/19/96/22/811199622.db2.gz XYVYHODRMSSUCO-MRXNPFEDSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(C)(C)C)C1 ZINC001108290182 811199627 /nfs/dbraw/zinc/19/96/27/811199627.db2.gz XYVYHODRMSSUCO-MRXNPFEDSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108308113 811220517 /nfs/dbraw/zinc/22/05/17/811220517.db2.gz FYVNXPOTMBVVGL-GOEBONIOSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108308113 811220522 /nfs/dbraw/zinc/22/05/22/811220522.db2.gz FYVNXPOTMBVVGL-GOEBONIOSA-N 1 2 282.428 2.062 20 30 CEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCOC(C)C)C(=O)OCC ZINC001172440141 815437378 /nfs/dbraw/zinc/43/73/78/815437378.db2.gz DKCXMAQEIUHKOF-GZBFAFLISA-N 1 2 269.385 2.287 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CC=C(C)C)C1 ZINC001042741999 811325394 /nfs/dbraw/zinc/32/53/94/811325394.db2.gz ZFCFJVLFTFXYEZ-CVEARBPZSA-N 1 2 292.423 2.076 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(CCC)s2)C1 ZINC001042804651 811331593 /nfs/dbraw/zinc/33/15/93/811331593.db2.gz KRNDZHFSQOXNMR-UHFFFAOYSA-N 1 2 290.432 2.480 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(F)c2F)C1 ZINC001043676148 811394037 /nfs/dbraw/zinc/39/40/37/811394037.db2.gz IKIVJJYRXQGVRW-UHFFFAOYSA-N 1 2 280.318 2.297 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(Cl)c(C)c2)C1 ZINC001043730275 811400699 /nfs/dbraw/zinc/40/06/99/811400699.db2.gz WFQOWHNXKCPJJV-UHFFFAOYSA-N 1 2 290.794 2.428 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001043981152 811424142 /nfs/dbraw/zinc/42/41/42/811424142.db2.gz FFWDHQLMYLAKLV-OAHLLOKOSA-N 1 2 276.355 2.416 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001044157738 811447858 /nfs/dbraw/zinc/44/78/58/811447858.db2.gz SBCSQERGVFELOH-ZBFHGGJFSA-N 1 2 294.439 2.156 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001044243711 811458873 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C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C)n2)C1 ZINC001046156170 811697447 /nfs/dbraw/zinc/69/74/47/811697447.db2.gz UASKORZUXFDQNV-HNNXBMFYSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]ccc2C)C1 ZINC001046279557 811727227 /nfs/dbraw/zinc/72/72/27/811727227.db2.gz BIFCZIOGRQZVDW-AWEZNQCLSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]ccc2C)C1 ZINC001046279557 811727234 /nfs/dbraw/zinc/72/72/34/811727234.db2.gz BIFCZIOGRQZVDW-AWEZNQCLSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCSC)C2 ZINC001108898477 811787359 /nfs/dbraw/zinc/78/73/59/811787359.db2.gz QISZYCKQYYOOCB-WOPDTQHZSA-N 1 2 288.844 2.214 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCSC)C2 ZINC001108898477 811787364 /nfs/dbraw/zinc/78/73/64/811787364.db2.gz QISZYCKQYYOOCB-WOPDTQHZSA-N 1 2 288.844 2.214 20 30 CEEDLO COC(=O)N1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001172732400 815495905 /nfs/dbraw/zinc/49/59/05/815495905.db2.gz 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C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnco1 ZINC001054048918 812525577 /nfs/dbraw/zinc/52/55/77/812525577.db2.gz LTKPKPKKLJCAGJ-OAHLLOKOSA-N 1 2 297.358 2.017 20 30 CEEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnco1 ZINC001054048918 812525583 /nfs/dbraw/zinc/52/55/83/812525583.db2.gz LTKPKPKKLJCAGJ-OAHLLOKOSA-N 1 2 297.358 2.017 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccns3)cc2C1 ZINC001054267126 812557712 /nfs/dbraw/zinc/55/77/12/812557712.db2.gz ASLGGNQVKQWMDC-UHFFFAOYSA-N 1 2 297.383 2.022 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccns3)cc2C1 ZINC001054267126 812557717 /nfs/dbraw/zinc/55/77/17/812557717.db2.gz ASLGGNQVKQWMDC-UHFFFAOYSA-N 1 2 297.383 2.022 20 30 CEEDLO CC(C)(C)OC(=O)NC1(C)C[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254671005 812568678 /nfs/dbraw/zinc/56/86/78/812568678.db2.gz NVBOJASNJMTYKI-NEPJUHHUSA-N 1 2 279.384 2.278 20 30 CEEDLO N#Cc1cncc(Nc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001212693409 815546177 /nfs/dbraw/zinc/54/61/77/815546177.db2.gz VGTVMYOOUBQHPM-UHFFFAOYSA-N 1 2 276.303 2.337 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)NCc2cc[nH+]c(NCC)c2)C1 ZINC001123724567 815549768 /nfs/dbraw/zinc/54/97/68/815549768.db2.gz KCPUTIRXOYHIHS-CYBMUJFWSA-N 1 2 286.379 2.068 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCOCC)CC[C@@H]1C ZINC001131875155 812744749 /nfs/dbraw/zinc/74/47/49/812744749.db2.gz IXUMXRGPRRVMAQ-STQMWFEESA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCOCC)CC[C@@H]1C ZINC001131875155 812744752 /nfs/dbraw/zinc/74/47/52/812744752.db2.gz IXUMXRGPRRVMAQ-STQMWFEESA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COC(C)C)CC[C@H]1C ZINC001131891145 812747935 /nfs/dbraw/zinc/74/79/35/812747935.db2.gz FLYSYOODMSJSLC-CHWSQXEVSA-N 1 2 288.819 2.133 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COC(C)C)CC[C@H]1C ZINC001131891145 812747938 /nfs/dbraw/zinc/74/79/38/812747938.db2.gz FLYSYOODMSJSLC-CHWSQXEVSA-N 1 2 288.819 2.133 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001056766599 812748275 /nfs/dbraw/zinc/74/82/75/812748275.db2.gz AYBMITPLYDDSKI-CZUORRHYSA-N 1 2 288.395 2.400 20 30 CEEDLO C#CCCCCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001132401855 812838818 /nfs/dbraw/zinc/83/88/18/812838818.db2.gz HIWPNXUSBXDMBA-AWEZNQCLSA-N 1 2 291.395 2.334 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](CC)CC#N)C1 ZINC001255177035 813025488 /nfs/dbraw/zinc/02/54/88/813025488.db2.gz LDDCEYBMOKENEJ-QWHCGFSZSA-N 1 2 265.357 2.055 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](CC)CC#N)C1 ZINC001255177035 813025494 /nfs/dbraw/zinc/02/54/94/813025494.db2.gz LDDCEYBMOKENEJ-QWHCGFSZSA-N 1 2 265.357 2.055 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001133378988 813042777 /nfs/dbraw/zinc/04/27/77/813042777.db2.gz QIKONAGOYKFJFA-HNNXBMFYSA-N 1 2 279.384 2.100 20 30 CEEDLO Cc1[nH+]c(N2C[C@@H]3CCCC(=O)[C@H]3C2)ccc1CC#N ZINC001159008947 813176425 /nfs/dbraw/zinc/17/64/25/813176425.db2.gz FADARMQHSVFDAR-KBPBESRZSA-N 1 2 269.348 2.262 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnc2)CC[C@H]1C ZINC001071293273 813350617 /nfs/dbraw/zinc/35/06/17/813350617.db2.gz CALJUYRGSXKWLO-OCCSQVGLSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2)CC[C@H]1C ZINC001071293273 813350622 /nfs/dbraw/zinc/35/06/22/813350622.db2.gz CALJUYRGSXKWLO-OCCSQVGLSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)on2)CC[C@@H]1C ZINC001071330676 813367446 /nfs/dbraw/zinc/36/74/46/813367446.db2.gz XOVWPNIXTJWNCQ-CMPLNLGQSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)on2)CC[C@@H]1C ZINC001071330676 813367453 /nfs/dbraw/zinc/36/74/53/813367453.db2.gz XOVWPNIXTJWNCQ-CMPLNLGQSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)on2)CC[C@H]1C ZINC001071330678 813367584 /nfs/dbraw/zinc/36/75/84/813367584.db2.gz XOVWPNIXTJWNCQ-PWSUYJOCSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)on2)CC[C@H]1C ZINC001071330678 813367588 /nfs/dbraw/zinc/36/75/88/813367588.db2.gz XOVWPNIXTJWNCQ-PWSUYJOCSA-N 1 2 297.786 2.318 20 30 CEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2cccc3nc[nH]c32)CC[C@@H]1C ZINC001071924189 813513090 /nfs/dbraw/zinc/51/30/90/813513090.db2.gz SYYOCMWUQKPIOK-QWHCGFSZSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc3nc[nH]c32)CC[C@@H]1C ZINC001071924189 813513094 /nfs/dbraw/zinc/51/30/94/813513094.db2.gz SYYOCMWUQKPIOK-QWHCGFSZSA-N 1 2 298.390 2.332 20 30 CEEDLO C=C[C@H]1C[C@]1(Nc1ccc2[nH+]cn(C)c2c1)C(=O)OCC ZINC001170915334 813637345 /nfs/dbraw/zinc/63/73/45/813637345.db2.gz CEGRUTNAIKZWLL-MEDUHNTESA-N 1 2 285.347 2.493 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H]1CO ZINC001143717961 813865302 /nfs/dbraw/zinc/86/53/02/813865302.db2.gz JCZGHFKJPWLHBX-NSHDSACASA-N 1 2 250.729 2.168 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1CO ZINC001143717961 813865308 /nfs/dbraw/zinc/86/53/08/813865308.db2.gz JCZGHFKJPWLHBX-NSHDSACASA-N 1 2 250.729 2.168 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC2(COC2)C1 ZINC001143719288 813865326 /nfs/dbraw/zinc/86/53/26/813865326.db2.gz VHBXOULVJVLWCZ-UHFFFAOYSA-N 1 2 262.740 2.434 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC2(COC2)C1 ZINC001143719288 813865333 /nfs/dbraw/zinc/86/53/33/813865333.db2.gz VHBXOULVJVLWCZ-UHFFFAOYSA-N 1 2 262.740 2.434 20 30 CEEDLO N#Cc1cncc(C[N@@H+]2CCc3cc(CO)ccc3C2)c1 ZINC001144074377 813949105 /nfs/dbraw/zinc/94/91/05/813949105.db2.gz LABFRXUJJOPXPE-UHFFFAOYSA-N 1 2 279.343 2.004 20 30 CEEDLO N#Cc1cncc(C[N@H+]2CCc3cc(CO)ccc3C2)c1 ZINC001144074377 813949114 /nfs/dbraw/zinc/94/91/14/813949114.db2.gz LABFRXUJJOPXPE-UHFFFAOYSA-N 1 2 279.343 2.004 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cn1)Cc1cccc2c1OCO2 ZINC001144169742 813979195 /nfs/dbraw/zinc/97/91/95/813979195.db2.gz UDXDGVJLDIYZHL-UHFFFAOYSA-N 1 2 281.315 2.314 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cn1)Cc1cccc2c1OCO2 ZINC001144169742 813979199 /nfs/dbraw/zinc/97/91/99/813979199.db2.gz UDXDGVJLDIYZHL-UHFFFAOYSA-N 1 2 281.315 2.314 20 30 CEEDLO 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20 30 CEEDLO C=CCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC001112399016 814667541 /nfs/dbraw/zinc/66/75/41/814667541.db2.gz ZDYLPGZLMIISCR-JSGCOSHPSA-N 1 2 288.395 2.082 20 30 CEEDLO C#CCOCC[N@H+](C)Cc1csc(C2CC2)n1 ZINC001116396595 814851007 /nfs/dbraw/zinc/85/10/07/814851007.db2.gz HFHZSEXUODKFFW-UHFFFAOYSA-N 1 2 250.367 2.102 20 30 CEEDLO C#CCOCC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC001116396595 814851001 /nfs/dbraw/zinc/85/10/01/814851001.db2.gz HFHZSEXUODKFFW-UHFFFAOYSA-N 1 2 250.367 2.102 20 30 CEEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001137594719 815649469 /nfs/dbraw/zinc/64/94/69/815649469.db2.gz NWCGQHLPIVCKKY-GJZGRUSLSA-N 1 2 294.420 2.469 20 30 CEEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001137594719 815649474 /nfs/dbraw/zinc/64/94/74/815649474.db2.gz NWCGQHLPIVCKKY-GJZGRUSLSA-N 1 2 294.420 2.469 20 30 CEEDLO CC1(C#N)CCC([N@@H+]2CCC[C@@H](F)C(=O)C2)CC1 ZINC001173592486 815755397 /nfs/dbraw/zinc/75/53/97/815755397.db2.gz QEJPSZYPQPFHQU-MBHSVXNSSA-N 1 2 252.333 2.462 20 30 CEEDLO CC1(C#N)CCC([N@H+]2CCC[C@@H](F)C(=O)C2)CC1 ZINC001173592486 815755399 /nfs/dbraw/zinc/75/53/99/815755399.db2.gz QEJPSZYPQPFHQU-MBHSVXNSSA-N 1 2 252.333 2.462 20 30 CEEDLO C#CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1OC ZINC001138745495 815888178 /nfs/dbraw/zinc/88/81/78/815888178.db2.gz BYLMOKGGIDYFDA-UHFFFAOYSA-N 1 2 253.729 2.422 20 30 CEEDLO C#CC[N@H+](C)Cc1cc(Cl)cc(OC)c1OC ZINC001138745495 815888180 /nfs/dbraw/zinc/88/81/80/815888180.db2.gz BYLMOKGGIDYFDA-UHFFFAOYSA-N 1 2 253.729 2.422 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c1)C2 ZINC001095308522 816023715 /nfs/dbraw/zinc/02/37/15/816023715.db2.gz RKZBTHNSNJCSNZ-RDBSUJKOSA-N 1 2 293.798 2.113 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c1)C2 ZINC001095308522 816023720 /nfs/dbraw/zinc/02/37/20/816023720.db2.gz RKZBTHNSNJCSNZ-RDBSUJKOSA-N 1 2 293.798 2.113 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(C)ccc2OCC)CC1 ZINC001139607475 816061270 /nfs/dbraw/zinc/06/12/70/816061270.db2.gz 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/nfs/dbraw/zinc/09/39/15/816093915.db2.gz APZWUKZXBMKWFV-UHFFFAOYSA-N 1 2 271.320 2.300 20 30 CEEDLO COC(=O)c1cccc2[nH]cc(C[N@@H+](C)CCC#N)c21 ZINC001139715643 816093917 /nfs/dbraw/zinc/09/39/17/816093917.db2.gz APZWUKZXBMKWFV-UHFFFAOYSA-N 1 2 271.320 2.300 20 30 CEEDLO Cn1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C#N)n1 ZINC001175710723 816277584 /nfs/dbraw/zinc/27/75/84/816277584.db2.gz KTWHIGGCUSUYDZ-UHFFFAOYSA-N 1 2 282.229 2.031 20 30 CEEDLO Cn1cnc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175711164 816277898 /nfs/dbraw/zinc/27/78/98/816277898.db2.gz QNWOPMVZMSWFGX-UHFFFAOYSA-N 1 2 282.229 2.031 20 30 CEEDLO CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599500 816296883 /nfs/dbraw/zinc/29/68/83/816296883.db2.gz FYPXRZLDOOMLHF-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599500 816296888 /nfs/dbraw/zinc/29/68/88/816296888.db2.gz FYPXRZLDOOMLHF-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO N#Cc1ccc(Cl)c(CN2CCn3c[nH+]cc3C2)c1 ZINC001140602042 816298801 /nfs/dbraw/zinc/29/88/01/816298801.db2.gz ASYLSQAVSSMQKC-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO C#Cc1cc(Nc2cc(C(=O)N(C)C)ccc2F)cc[nH+]1 ZINC001176043409 816316552 /nfs/dbraw/zinc/31/65/52/816316552.db2.gz MGSDAXRTOMHZPB-UHFFFAOYSA-N 1 2 283.306 2.069 20 30 CEEDLO N#Cc1cccc(CN2CCn3c[nH+]cc3C2)c1Cl ZINC001140809946 816371806 /nfs/dbraw/zinc/37/18/06/816371806.db2.gz NUPOTJSCMHCLAR-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001141166429 816493598 /nfs/dbraw/zinc/49/35/98/816493598.db2.gz NIDKSHBJUVBXDE-OAHLLOKOSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001141166429 816493603 /nfs/dbraw/zinc/49/36/03/816493603.db2.gz NIDKSHBJUVBXDE-OAHLLOKOSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1cc[nH]c1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177616466 816594559 /nfs/dbraw/zinc/59/45/59/816594559.db2.gz QJIZYBMNINIYDL-CYBMUJFWSA-N 1 2 284.319 2.082 20 30 CEEDLO N#Cc1cc[nH]c1NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177616466 816594565 /nfs/dbraw/zinc/59/45/65/816594565.db2.gz QJIZYBMNINIYDL-CYBMUJFWSA-N 1 2 284.319 2.082 20 30 CEEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CO ZINC001141897440 816597235 /nfs/dbraw/zinc/59/72/35/816597235.db2.gz RQVOJUVTQZMQJX-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CO ZINC001141897440 816597240 /nfs/dbraw/zinc/59/72/40/816597240.db2.gz RQVOJUVTQZMQJX-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO Cc1cc(C#N)c(NC(=O)[C@@H](C)n2cc[nH+]c2)s1 ZINC001177921607 816643772 /nfs/dbraw/zinc/64/37/72/816643772.db2.gz HSZFLGLRRKWURR-SECBINFHSA-N 1 2 260.322 2.324 20 30 CEEDLO C=CC[N@@H+](C)Cc1cnn(C(=O)OC(C)(C)C)c1 ZINC001142796898 816729686 /nfs/dbraw/zinc/72/96/86/816729686.db2.gz JJLXFVJXQTVKHO-UHFFFAOYSA-N 1 2 251.330 2.284 20 30 CEEDLO C=CC[N@H+](C)Cc1cnn(C(=O)OC(C)(C)C)c1 ZINC001142796898 816729693 /nfs/dbraw/zinc/72/96/93/816729693.db2.gz JJLXFVJXQTVKHO-UHFFFAOYSA-N 1 2 251.330 2.284 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)nn23)C1 ZINC001142997109 816768392 /nfs/dbraw/zinc/76/83/92/816768392.db2.gz MXVZGWZKLUBSIC-LLVKDONJSA-N 1 2 274.755 2.228 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)nn23)C1 ZINC001142997109 816768397 /nfs/dbraw/zinc/76/83/97/816768397.db2.gz MXVZGWZKLUBSIC-LLVKDONJSA-N 1 2 274.755 2.228 20 30 CEEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178696911 816783338 /nfs/dbraw/zinc/78/33/38/816783338.db2.gz PFFHUYKHFMWXNF-CYBMUJFWSA-N 1 2 291.326 2.129 20 30 CEEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001178696911 816783342 /nfs/dbraw/zinc/78/33/42/816783342.db2.gz PFFHUYKHFMWXNF-CYBMUJFWSA-N 1 2 291.326 2.129 20 30 CEEDLO COC(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164975 816795530 /nfs/dbraw/zinc/79/55/30/816795530.db2.gz ROQBVOSPYGPSMN-NSHDSACASA-N 1 2 294.301 2.221 20 30 CEEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164975 816795536 /nfs/dbraw/zinc/79/55/36/816795536.db2.gz ROQBVOSPYGPSMN-NSHDSACASA-N 1 2 294.301 2.221 20 30 CEEDLO CC(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143176213 816799760 /nfs/dbraw/zinc/79/97/60/816799760.db2.gz VVILRHKRTLODCN-NSHDSACASA-N 1 2 264.275 2.247 20 30 CEEDLO CC(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143176213 816799764 /nfs/dbraw/zinc/79/97/64/816799764.db2.gz VVILRHKRTLODCN-NSHDSACASA-N 1 2 264.275 2.247 20 30 CEEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000121180325 365532646 /nfs/dbraw/zinc/53/26/46/365532646.db2.gz RWCNLHHQBZBMTG-UHFFFAOYSA-N 1 2 273.292 2.083 20 30 CEEDLO C=CC[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000121180325 365532651 /nfs/dbraw/zinc/53/26/51/365532651.db2.gz RWCNLHHQBZBMTG-UHFFFAOYSA-N 1 2 273.292 2.083 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000336262026 365540451 /nfs/dbraw/zinc/54/04/51/365540451.db2.gz MDEPSUQFTJQDET-AWEZNQCLSA-N 1 2 269.348 2.444 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CC)CCC#N ZINC000080042238 343998002 /nfs/dbraw/zinc/99/80/02/343998002.db2.gz RSBGFUQGARGMOO-UHFFFAOYSA-N 1 2 284.363 2.361 20 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PRJJJFNPVHDJOM-SNVBAGLBSA-N 1 2 293.367 2.073 20 30 CEEDLO O=C(NCc1cn2ccccc2n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328939872 539188423 /nfs/dbraw/zinc/18/84/23/539188423.db2.gz SCPVXZSYGOKPAZ-GFCCVEGCSA-N 1 2 295.346 2.250 20 30 CEEDLO CN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@@H]1CCC[C@H]1C#N ZINC000601820826 346909510 /nfs/dbraw/zinc/90/95/10/346909510.db2.gz TVWYGRJWSXHACL-QWHCGFSZSA-N 1 2 299.365 2.114 20 30 CEEDLO COCC#CC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000677819265 539270087 /nfs/dbraw/zinc/27/00/87/539270087.db2.gz VPWIOFOERMXCIS-AWEZNQCLSA-N 1 2 272.373 2.472 20 30 CEEDLO CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1[nH]cc[nH+]1 ZINC000354771831 529669384 /nfs/dbraw/zinc/66/93/84/529669384.db2.gz PLMQOFMTYOZIRL-GFCCVEGCSA-N 1 2 272.283 2.302 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCCCCC1 ZINC000042454433 362096644 /nfs/dbraw/zinc/09/66/44/362096644.db2.gz WVTNGGNTCNIXAT-CYBMUJFWSA-N 1 2 251.374 2.013 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCCCCC1 ZINC000042454433 362096647 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365795879 /nfs/dbraw/zinc/79/58/79/365795879.db2.gz PGUTYLZWDRODPT-UHFFFAOYSA-N 1 2 263.337 2.246 20 30 CEEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)OCC)c1 ZINC000128558058 365795885 /nfs/dbraw/zinc/79/58/85/365795885.db2.gz PGUTYLZWDRODPT-UHFFFAOYSA-N 1 2 263.337 2.246 20 30 CEEDLO Cc1nnsc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602024451 346963281 /nfs/dbraw/zinc/96/32/81/346963281.db2.gz MVFJDVVFWZAEGX-UHFFFAOYSA-N 1 2 262.313 2.147 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000067942408 343749633 /nfs/dbraw/zinc/74/96/33/343749633.db2.gz WPJYSEUVYMNSRO-HOTGVXAUSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000067942408 343749637 /nfs/dbraw/zinc/74/96/37/343749637.db2.gz WPJYSEUVYMNSRO-HOTGVXAUSA-N 1 2 299.374 2.140 20 30 CEEDLO CC(C)C[C@H](C(=O)N(CCC#N)CCC#N)n1cc[nH+]c1 ZINC000602079547 346969799 /nfs/dbraw/zinc/96/97/99/346969799.db2.gz RVBGRWLVTSWQDY-CQSZACIVSA-N 1 2 287.367 2.126 20 30 CEEDLO 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CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833524 345890379 /nfs/dbraw/zinc/89/03/79/345890379.db2.gz CONKXHQZJUMOJP-MRXNPFEDSA-N 1 2 279.428 2.363 20 30 CEEDLO CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833524 345890382 /nfs/dbraw/zinc/89/03/82/345890382.db2.gz CONKXHQZJUMOJP-MRXNPFEDSA-N 1 2 279.428 2.363 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CC[S@](=O)c2ccccc2)C1 ZINC000595838389 345894106 /nfs/dbraw/zinc/89/41/06/345894106.db2.gz BHZCHVPXWIKIRC-KDOFPFPSSA-N 1 2 262.378 2.030 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CC[S@](=O)c2ccccc2)C1 ZINC000595838389 345894108 /nfs/dbraw/zinc/89/41/08/345894108.db2.gz BHZCHVPXWIKIRC-KDOFPFPSSA-N 1 2 262.378 2.030 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595842073 345895929 /nfs/dbraw/zinc/89/59/29/345895929.db2.gz XSLGTPNZFITUHF-AWEZNQCLSA-N 1 2 275.308 2.209 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595842073 345895932 /nfs/dbraw/zinc/89/59/32/345895932.db2.gz XSLGTPNZFITUHF-AWEZNQCLSA-N 1 2 275.308 2.209 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H](C)O1 ZINC000595781917 345875343 /nfs/dbraw/zinc/87/53/43/345875343.db2.gz WCPVZFFBXWUVFI-ZJUUUORDSA-N 1 2 251.355 2.014 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H](C)O1 ZINC000595781917 345875347 /nfs/dbraw/zinc/87/53/47/345875347.db2.gz WCPVZFFBXWUVFI-ZJUUUORDSA-N 1 2 251.355 2.014 20 30 CEEDLO CCN(CC(C)C[N@H+](CC)[C@@H](C)C#N)[C@@H](C)C#N ZINC000595817050 345884666 /nfs/dbraw/zinc/88/46/66/345884666.db2.gz FYLOHVKYXRDNEG-KBPBESRZSA-N 1 2 250.390 2.090 20 30 CEEDLO CCN(CC(C)C[N@@H+](CC)[C@@H](C)C#N)[C@@H](C)C#N ZINC000595817050 345884667 /nfs/dbraw/zinc/88/46/67/345884667.db2.gz FYLOHVKYXRDNEG-KBPBESRZSA-N 1 2 250.390 2.090 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1cccc(OC)c1)[C@H](C)C#N ZINC000595818716 345884869 /nfs/dbraw/zinc/88/48/69/345884869.db2.gz XURJPWRJTNXIMK-GFCCVEGCSA-N 1 2 275.352 2.258 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@H](C)C#N ZINC000595818716 345884872 /nfs/dbraw/zinc/88/48/72/345884872.db2.gz XURJPWRJTNXIMK-GFCCVEGCSA-N 1 2 275.352 2.258 20 30 CEEDLO Cc1cc(NCCCn2cc[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596050957 345928147 /nfs/dbraw/zinc/92/81/47/345928147.db2.gz IAUTUXLGEQQDQG-UHFFFAOYSA-N 1 2 285.307 2.474 20 30 CEEDLO N#CCSCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885389 345905869 /nfs/dbraw/zinc/90/58/69/345905869.db2.gz HDLXADYBVLFCSF-JTQLQIEISA-N 1 2 282.331 2.286 20 30 CEEDLO N#CCSCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885389 345905872 /nfs/dbraw/zinc/90/58/72/345905872.db2.gz HDLXADYBVLFCSF-JTQLQIEISA-N 1 2 282.331 2.286 20 30 CEEDLO C[C@]1(C(F)F)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595917074 345912631 /nfs/dbraw/zinc/91/26/31/345912631.db2.gz MZCSFCCPRRVYCM-CQSZACIVSA-N 1 2 266.291 2.414 20 30 CEEDLO C[C@]1(C(F)F)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595917074 345912633 /nfs/dbraw/zinc/91/26/33/345912633.db2.gz MZCSFCCPRRVYCM-CQSZACIVSA-N 1 2 266.291 2.414 20 30 CEEDLO C[C@]1(C(F)F)C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595918338 345912817 /nfs/dbraw/zinc/91/28/17/345912817.db2.gz WUWVBCLMGBQCBN-OAHLLOKOSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@]1(C(F)F)C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595918338 345912819 /nfs/dbraw/zinc/91/28/19/345912819.db2.gz WUWVBCLMGBQCBN-OAHLLOKOSA-N 1 2 296.317 2.293 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596215740 345971553 /nfs/dbraw/zinc/97/15/53/345971553.db2.gz HOGWQTPTYUYVKY-CZUORRHYSA-N 1 2 290.363 2.190 20 30 CEEDLO C[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)c2[nH+]ccn21 ZINC000596256578 345982347 /nfs/dbraw/zinc/98/23/47/345982347.db2.gz CSAZXVQYFIEQQW-NKWVEPMBSA-N 1 2 279.756 2.404 20 30 CEEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(OC)c1OC ZINC000597229544 346155494 /nfs/dbraw/zinc/15/54/94/346155494.db2.gz MDIHRNBAZCFGFI-MRXNPFEDSA-N 1 2 290.363 2.448 20 30 CEEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(OC)c1OC ZINC000597229544 346155495 /nfs/dbraw/zinc/15/54/95/346155495.db2.gz MDIHRNBAZCFGFI-MRXNPFEDSA-N 1 2 290.363 2.448 20 30 CEEDLO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231097 346155767 /nfs/dbraw/zinc/15/57/67/346155767.db2.gz KVUPJAHCXHCPKK-INIZCTEOSA-N 1 2 271.364 2.124 20 30 CEEDLO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231097 346155770 /nfs/dbraw/zinc/15/57/70/346155770.db2.gz KVUPJAHCXHCPKK-INIZCTEOSA-N 1 2 271.364 2.124 20 30 CEEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000597400547 346181963 /nfs/dbraw/zinc/18/19/63/346181963.db2.gz YWMMWOIVMSKIFL-ZDUSSCGKSA-N 1 2 289.354 2.020 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000598674338 346397711 /nfs/dbraw/zinc/39/77/11/346397711.db2.gz QHBUHBRMYUAPMN-AWEZNQCLSA-N 1 2 268.364 2.375 20 30 CEEDLO Cc1cc(NC[C@H]2CCC[N@@H+]2CC(F)F)cc(C#N)n1 ZINC000599134554 346465196 /nfs/dbraw/zinc/46/51/96/346465196.db2.gz WLMBGMADRTUNBT-CYBMUJFWSA-N 1 2 280.322 2.403 20 30 CEEDLO Cc1cc(NC[C@H]2CCC[N@H+]2CC(F)F)cc(C#N)n1 ZINC000599134554 346465199 /nfs/dbraw/zinc/46/51/99/346465199.db2.gz WLMBGMADRTUNBT-CYBMUJFWSA-N 1 2 280.322 2.403 20 30 CEEDLO COc1c(C)[nH+]cnc1N1CCc2c(CC#N)cccc2C1 ZINC000599195046 346477392 /nfs/dbraw/zinc/47/73/92/346477392.db2.gz MAYSJGOOQQINHL-UHFFFAOYSA-N 1 2 294.358 2.422 20 30 CEEDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599250714 346483630 /nfs/dbraw/zinc/48/36/30/346483630.db2.gz RLWHSHQULGKFIE-HNNXBMFYSA-N 1 2 272.348 2.394 20 30 CEEDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599250714 346483632 /nfs/dbraw/zinc/48/36/32/346483632.db2.gz RLWHSHQULGKFIE-HNNXBMFYSA-N 1 2 272.348 2.394 20 30 CEEDLO N#CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CCCC1 ZINC000599297669 346493162 /nfs/dbraw/zinc/49/31/62/346493162.db2.gz PMPULEDKARSMOM-MRXNPFEDSA-N 1 2 299.374 2.066 20 30 CEEDLO N#CC[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CCCC1 ZINC000599297669 346493165 /nfs/dbraw/zinc/49/31/65/346493165.db2.gz PMPULEDKARSMOM-MRXNPFEDSA-N 1 2 299.374 2.066 20 30 CEEDLO C=CCC[C@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599657987 346556994 /nfs/dbraw/zinc/55/69/94/346556994.db2.gz APHRBRRJOWHIHG-NSHDSACASA-N 1 2 257.374 2.023 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cc1cnns1)C2 ZINC000599677981 346562172 /nfs/dbraw/zinc/56/21/72/346562172.db2.gz NVOKUEFTMUCGQD-UHFFFAOYSA-N 1 2 270.361 2.162 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cnns1)C2 ZINC000599677981 346562176 /nfs/dbraw/zinc/56/21/76/346562176.db2.gz NVOKUEFTMUCGQD-UHFFFAOYSA-N 1 2 270.361 2.162 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000600999410 346729211 /nfs/dbraw/zinc/72/92/11/346729211.db2.gz AUCDJWOCONRXPD-AWEZNQCLSA-N 1 2 296.374 2.423 20 30 CEEDLO COCCCNc1ccc(-c2ccc(OC)c(C#N)c2)c[nH+]1 ZINC000600787646 346689966 /nfs/dbraw/zinc/68/99/66/346689966.db2.gz BTIWFSNFZOYXDQ-UHFFFAOYSA-N 1 2 297.358 2.499 20 30 CEEDLO C=CCCCNc1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000601156152 346772404 /nfs/dbraw/zinc/77/24/04/346772404.db2.gz MHKGPQRRVWPLNA-UHFFFAOYSA-N 1 2 277.368 2.081 20 30 CEEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)[nH]1 ZINC000602628976 347111497 /nfs/dbraw/zinc/11/14/97/347111497.db2.gz CFQZPFIIXNTEEH-WDEREUQCSA-N 1 2 284.367 2.436 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)CC(C)(C)C#N)[nH]c1C ZINC000602677242 347138988 /nfs/dbraw/zinc/13/89/88/347138988.db2.gz XILMJHMAAKYSGN-UHFFFAOYSA-N 1 2 263.341 2.091 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)CC(C)(C)C#N)[nH]c1C ZINC000602677242 347138993 /nfs/dbraw/zinc/13/89/93/347138993.db2.gz XILMJHMAAKYSGN-UHFFFAOYSA-N 1 2 263.341 2.091 20 30 CEEDLO N#CCC1(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)CC1 ZINC000602791060 347199905 /nfs/dbraw/zinc/19/99/05/347199905.db2.gz PVRNPAMFHGLLEE-LLVKDONJSA-N 1 2 290.392 2.240 20 30 CEEDLO N#CCC1(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)CC1 ZINC000602791060 347199908 /nfs/dbraw/zinc/19/99/08/347199908.db2.gz PVRNPAMFHGLLEE-LLVKDONJSA-N 1 2 290.392 2.240 20 30 CEEDLO CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)C[C@H](C)C#N ZINC000064249164 362782522 /nfs/dbraw/zinc/78/25/22/362782522.db2.gz QTFVNHITXIWFPK-CYBMUJFWSA-N 1 2 265.401 2.115 20 30 CEEDLO CC[N@H+](CC(=O)N(CC(C)C)C1CC1)C[C@H](C)C#N ZINC000064249164 362782526 /nfs/dbraw/zinc/78/25/26/362782526.db2.gz QTFVNHITXIWFPK-CYBMUJFWSA-N 1 2 265.401 2.115 20 30 CEEDLO CCOC(=O)C[N@H+](CC1(CC#N)CC1)C1CCC1 ZINC000602812428 347210254 /nfs/dbraw/zinc/21/02/54/347210254.db2.gz WTLKXFQKGJYYOB-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO CCOC(=O)C[N@@H+](CC1(CC#N)CC1)C1CCC1 ZINC000602812428 347210257 /nfs/dbraw/zinc/21/02/57/347210257.db2.gz WTLKXFQKGJYYOB-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO CSC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000602724793 347172797 /nfs/dbraw/zinc/17/27/97/347172797.db2.gz CCRXTANKZNKPRK-UHFFFAOYSA-N 1 2 253.396 2.342 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@@H](COC)CC(C)C)C(=O)OC ZINC000602732345 347176190 /nfs/dbraw/zinc/17/61/90/347176190.db2.gz AXGIMNORGHXSQQ-CHWSQXEVSA-N 1 2 257.374 2.145 20 30 CEEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CC1(CC#N)CC1 ZINC000602832827 347217350 /nfs/dbraw/zinc/21/73/50/347217350.db2.gz SFZCLJAPBWGUPX-VHSXEESVSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602832827 347217352 /nfs/dbraw/zinc/21/73/52/347217352.db2.gz SFZCLJAPBWGUPX-VHSXEESVSA-N 1 2 262.275 2.332 20 30 CEEDLO CCOC(=O)c1ncc(C[NH2+][C@@H](CC)CC#N)s1 ZINC000602838756 347219846 /nfs/dbraw/zinc/21/98/46/347219846.db2.gz CACQOKMHHCIDJF-VIFPVBQESA-N 1 2 267.354 2.102 20 30 CEEDLO Cc1nc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)sc1C ZINC000602847367 347223359 /nfs/dbraw/zinc/22/33/59/347223359.db2.gz AVMPGBCOHMCMCN-GHMZBOCLSA-N 1 2 278.425 2.178 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847737 347223614 /nfs/dbraw/zinc/22/36/14/347223614.db2.gz UMYFIQUDAJATGM-NSHDSACASA-N 1 2 299.334 2.393 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847737 347223616 /nfs/dbraw/zinc/22/36/16/347223616.db2.gz UMYFIQUDAJATGM-NSHDSACASA-N 1 2 299.334 2.393 20 30 CEEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853485 347225445 /nfs/dbraw/zinc/22/54/45/347225445.db2.gz IXCXADDMGWUZNM-MJBXVCDLSA-N 1 2 295.427 2.025 20 30 CEEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853485 347225446 /nfs/dbraw/zinc/22/54/46/347225446.db2.gz IXCXADDMGWUZNM-MJBXVCDLSA-N 1 2 295.427 2.025 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000602860337 347227999 /nfs/dbraw/zinc/22/79/99/347227999.db2.gz AZZJGPIWMANWPF-SECBINFHSA-N 1 2 283.278 2.118 20 30 CEEDLO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602863644 347230125 /nfs/dbraw/zinc/23/01/25/347230125.db2.gz OZISARDWUMGFRX-SNVBAGLBSA-N 1 2 265.744 2.479 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000602863177 347230150 /nfs/dbraw/zinc/23/01/50/347230150.db2.gz LUVSYHZOAYPPSO-IJLUTSLNSA-N 1 2 277.343 2.283 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000602863854 347230314 /nfs/dbraw/zinc/23/03/14/347230314.db2.gz QHQRHPYDDATREO-NEPJUHHUSA-N 1 2 277.343 2.237 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000602867504 347231166 /nfs/dbraw/zinc/23/11/66/347231166.db2.gz CWSIVFHFQWAKOC-MLGOLLRUSA-N 1 2 271.364 2.146 20 30 CEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602866273 347231304 /nfs/dbraw/zinc/23/13/04/347231304.db2.gz ZQUGETQDFRTLLG-HNNXBMFYSA-N 1 2 298.390 2.442 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCSc2ccccc21 ZINC000602869124 347231994 /nfs/dbraw/zinc/23/19/94/347231994.db2.gz MMCIDZIFJSSPRL-NWDGAFQWSA-N 1 2 289.404 2.406 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000602885298 347238130 /nfs/dbraw/zinc/23/81/30/347238130.db2.gz SSFSHUKEZCUKAW-NSHDSACASA-N 1 2 260.341 2.463 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000602885298 347238131 /nfs/dbraw/zinc/23/81/31/347238131.db2.gz SSFSHUKEZCUKAW-NSHDSACASA-N 1 2 260.341 2.463 20 30 CEEDLO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000602885868 347238908 /nfs/dbraw/zinc/23/89/08/347238908.db2.gz XXOUHUKMMOLGBK-NSHDSACASA-N 1 2 293.392 2.445 20 30 CEEDLO CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000602885868 347238910 /nfs/dbraw/zinc/23/89/10/347238910.db2.gz XXOUHUKMMOLGBK-NSHDSACASA-N 1 2 293.392 2.445 20 30 CEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000602900666 347241584 /nfs/dbraw/zinc/24/15/84/347241584.db2.gz VYTNZRRGTNSONX-HNNXBMFYSA-N 1 2 274.364 2.292 20 30 CEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000602900666 347241589 /nfs/dbraw/zinc/24/15/89/347241589.db2.gz VYTNZRRGTNSONX-HNNXBMFYSA-N 1 2 274.364 2.292 20 30 CEEDLO Cc1nnc([C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602908010 347244809 /nfs/dbraw/zinc/24/48/09/347244809.db2.gz XEHRZSVKQCZBKF-NSHDSACASA-N 1 2 296.378 2.320 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CCSCC2)CC1 ZINC000602948608 347254764 /nfs/dbraw/zinc/25/47/64/347254764.db2.gz BKYYHWZCOKEZRS-GFCCVEGCSA-N 1 2 269.410 2.323 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)oc1C ZINC000602973517 347260109 /nfs/dbraw/zinc/26/01/09/347260109.db2.gz BGRIKVJRKGNKTO-FZMZJTMJSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)oc1C ZINC000602973517 347260112 /nfs/dbraw/zinc/26/01/12/347260112.db2.gz BGRIKVJRKGNKTO-FZMZJTMJSA-N 1 2 276.336 2.499 20 30 CEEDLO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602975854 347262163 /nfs/dbraw/zinc/26/21/63/347262163.db2.gz IBNKBALIDCKTCG-HZPDHXFCSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602975854 347262164 /nfs/dbraw/zinc/26/21/64/347262164.db2.gz IBNKBALIDCKTCG-HZPDHXFCSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccc2nc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)cc(=O)n2c1 ZINC000602978174 347263101 /nfs/dbraw/zinc/26/31/01/347263101.db2.gz MQRDLSTZLIHBKG-UKRRQHHQSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1ccc2nc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)cc(=O)n2c1 ZINC000602978174 347263105 /nfs/dbraw/zinc/26/31/05/347263105.db2.gz MQRDLSTZLIHBKG-UKRRQHHQSA-N 1 2 296.374 2.127 20 30 CEEDLO C[N@H+](CCn1cnc2ccccc2c1=O)[C@H]1CCC[C@@H]1C#N ZINC000602980667 347264125 /nfs/dbraw/zinc/26/41/25/347264125.db2.gz SXXBXZMCLOBXKC-CJNGLKHVSA-N 1 2 296.374 2.021 20 30 CEEDLO C[N@@H+](CCn1cnc2ccccc2c1=O)[C@H]1CCC[C@@H]1C#N ZINC000602980667 347264128 /nfs/dbraw/zinc/26/41/28/347264128.db2.gz SXXBXZMCLOBXKC-CJNGLKHVSA-N 1 2 296.374 2.021 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1cccc(C#N)c1 ZINC000602984449 347266891 /nfs/dbraw/zinc/26/68/91/347266891.db2.gz MSHFHXYSHPKJIE-UHFFFAOYSA-N 1 2 270.332 2.228 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@H+]2Cc1cccc(C#N)c1 ZINC000602984449 347266893 /nfs/dbraw/zinc/26/68/93/347266893.db2.gz MSHFHXYSHPKJIE-UHFFFAOYSA-N 1 2 270.332 2.228 20 30 CEEDLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[C@@H]1C#N ZINC000603006719 347271374 /nfs/dbraw/zinc/27/13/74/347271374.db2.gz JXWMMUBJFTWKPL-DGCLKSJQSA-N 1 2 283.335 2.490 20 30 CEEDLO Cc1nc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000603398475 347358798 /nfs/dbraw/zinc/35/87/98/347358798.db2.gz ABTRGTMMTOHKRM-BETUJISGSA-N 1 2 299.422 2.086 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)CCCn1cc[nH+]c1 ZINC000604455022 347416684 /nfs/dbraw/zinc/41/66/84/347416684.db2.gz FXGQBKDSLJITGF-UHFFFAOYSA-N 1 2 282.347 2.194 20 30 CEEDLO CC#CC[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000607731952 347534437 /nfs/dbraw/zinc/53/44/37/347534437.db2.gz RYUGGNWOJFVXSA-MRXNPFEDSA-N 1 2 292.810 2.014 20 30 CEEDLO CC#CCN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000607731952 347534439 /nfs/dbraw/zinc/53/44/39/347534439.db2.gz RYUGGNWOJFVXSA-MRXNPFEDSA-N 1 2 292.810 2.014 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000608816011 347619598 /nfs/dbraw/zinc/61/95/98/347619598.db2.gz BYGPIUXSIDYDLR-HNNXBMFYSA-N 1 2 282.347 2.353 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2ccc(Cl)cc2C#N)CCO1 ZINC000609149925 347628612 /nfs/dbraw/zinc/62/86/12/347628612.db2.gz HOTUMEPXXSFXJL-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2ccc(Cl)cc2C#N)CCO1 ZINC000609149925 347628614 /nfs/dbraw/zinc/62/86/14/347628614.db2.gz HOTUMEPXXSFXJL-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@]([NH2+]Cc1ccc(F)cc1C#N)(C(N)=O)c1ccccc1 ZINC000103142034 185811546 /nfs/dbraw/zinc/81/15/46/185811546.db2.gz MXXFZLRNEYQQKO-QGZVFWFLSA-N 1 2 297.333 2.188 20 30 CEEDLO CCOc1ccc(C[N@@H+](CCC#N)CCOC)cc1 ZINC000610511743 347688017 /nfs/dbraw/zinc/68/80/17/347688017.db2.gz SALFBZFJSXIFHH-UHFFFAOYSA-N 1 2 262.353 2.447 20 30 CEEDLO CCOc1ccc(C[N@H+](CCC#N)CCOC)cc1 ZINC000610511743 347688018 /nfs/dbraw/zinc/68/80/18/347688018.db2.gz SALFBZFJSXIFHH-UHFFFAOYSA-N 1 2 262.353 2.447 20 30 CEEDLO N#Cc1csc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610627853 347697276 /nfs/dbraw/zinc/69/72/76/347697276.db2.gz BHCFONCRIBQFFO-GFCCVEGCSA-N 1 2 286.360 2.294 20 30 CEEDLO Cc1cc(N2CCN([C@H](C#N)C(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000611412731 347776148 /nfs/dbraw/zinc/77/61/48/347776148.db2.gz HHWGMOLSWZIWKT-OAHLLOKOSA-N 1 2 299.422 2.333 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611180373 347749484 /nfs/dbraw/zinc/74/94/84/347749484.db2.gz WXMXDUIJJPCWIO-SNVBAGLBSA-N 1 2 297.305 2.294 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)c(C#N)c1C ZINC000611180373 347749487 /nfs/dbraw/zinc/74/94/87/347749487.db2.gz WXMXDUIJJPCWIO-SNVBAGLBSA-N 1 2 297.305 2.294 20 30 CEEDLO C[C@@]1(C#N)CCCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000612406473 347880940 /nfs/dbraw/zinc/88/09/40/347880940.db2.gz NBJXDNZIAVEQQM-INIZCTEOSA-N 1 2 279.347 2.332 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000623298734 349979073 /nfs/dbraw/zinc/97/90/73/349979073.db2.gz IUNOQWBGGOPUNY-ZDUSSCGKSA-N 1 2 273.380 2.451 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000614963127 348260193 /nfs/dbraw/zinc/26/01/93/348260193.db2.gz WEELSNHZRQXTPL-LBPRGKRZSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ncn(C)n1 ZINC000615093055 348279200 /nfs/dbraw/zinc/27/92/00/348279200.db2.gz VZJUYTOFDWSCOA-IAQYHMDHSA-N 1 2 281.363 2.415 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615545331 348346716 /nfs/dbraw/zinc/34/67/16/348346716.db2.gz IUGLPVJWVJCXEU-INIZCTEOSA-N 1 2 292.423 2.078 20 30 CEEDLO Cc1cccc2[nH+]cc(CN3CC[C@](F)(C#N)C3)n21 ZINC000615652174 348368087 /nfs/dbraw/zinc/36/80/87/348368087.db2.gz YJNBDAUXTFOCJQ-AWEZNQCLSA-N 1 2 258.300 2.080 20 30 CEEDLO Cc1cccn2cc(CN3CC[C@](F)(C#N)C3)[nH+]c12 ZINC000615640100 348364581 /nfs/dbraw/zinc/36/45/81/348364581.db2.gz VPIPDIPQYXSJKJ-AWEZNQCLSA-N 1 2 258.300 2.080 20 30 CEEDLO N#C[C@]1(F)CCN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000615640222 348364863 /nfs/dbraw/zinc/36/48/63/348364863.db2.gz PCCXTGQCNJWAIB-OAHLLOKOSA-N 1 2 270.311 2.310 20 30 CEEDLO CCn1ncnc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000618753440 349036641 /nfs/dbraw/zinc/03/66/41/349036641.db2.gz NFJHNXBLHHEUPI-CQSZACIVSA-N 1 2 269.352 2.433 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000619179499 349134708 /nfs/dbraw/zinc/13/47/08/349134708.db2.gz QPQYYMNTLYEWKN-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCO1 ZINC000619179499 349134709 /nfs/dbraw/zinc/13/47/09/349134709.db2.gz QPQYYMNTLYEWKN-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000619438090 349180963 /nfs/dbraw/zinc/18/09/63/349180963.db2.gz NETNSJALLPVYLU-LLVKDONJSA-N 1 2 268.320 2.091 20 30 CEEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000619438090 349180966 /nfs/dbraw/zinc/18/09/66/349180966.db2.gz NETNSJALLPVYLU-LLVKDONJSA-N 1 2 268.320 2.091 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000619700064 349221323 /nfs/dbraw/zinc/22/13/23/349221323.db2.gz WAHFYWDQHRCAMJ-OAHLLOKOSA-N 1 2 273.332 2.209 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000619700064 349221326 /nfs/dbraw/zinc/22/13/26/349221326.db2.gz WAHFYWDQHRCAMJ-OAHLLOKOSA-N 1 2 273.332 2.209 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000619718818 349227981 /nfs/dbraw/zinc/22/79/81/349227981.db2.gz ZVMHCKRPJAMESS-ZBFHGGJFSA-N 1 2 259.349 2.378 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000619718818 349227983 /nfs/dbraw/zinc/22/79/83/349227983.db2.gz ZVMHCKRPJAMESS-ZBFHGGJFSA-N 1 2 259.349 2.378 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000619719014 349228139 /nfs/dbraw/zinc/22/81/39/349228139.db2.gz NDNJWWZZKSEDRS-OAHLLOKOSA-N 1 2 297.358 2.380 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000619719014 349228141 /nfs/dbraw/zinc/22/81/41/349228141.db2.gz NDNJWWZZKSEDRS-OAHLLOKOSA-N 1 2 297.358 2.380 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000619720323 349229204 /nfs/dbraw/zinc/22/92/04/349229204.db2.gz BSRMZHJZDNIKNK-UONOGXRCSA-N 1 2 285.347 2.011 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000619720323 349229207 /nfs/dbraw/zinc/22/92/07/349229207.db2.gz BSRMZHJZDNIKNK-UONOGXRCSA-N 1 2 285.347 2.011 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000619845942 349239832 /nfs/dbraw/zinc/23/98/32/349239832.db2.gz YVNGFKJAPOFNQD-RYUDHWBXSA-N 1 2 257.374 2.002 20 30 CEEDLO C=C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)C(=O)OC ZINC000619856122 349240718 /nfs/dbraw/zinc/24/07/18/349240718.db2.gz SKAJFRXWACUDRR-PESDSKBTSA-N 1 2 259.349 2.497 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000620301987 349337795 /nfs/dbraw/zinc/33/77/95/349337795.db2.gz MUWWUGTVGFARFL-MELADBBJSA-N 1 2 271.364 2.155 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000624388951 350277556 /nfs/dbraw/zinc/27/75/56/350277556.db2.gz MPOSGRBEZWIROD-NWDGAFQWSA-N 1 2 262.357 2.089 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626020842 350631758 /nfs/dbraw/zinc/63/17/58/350631758.db2.gz FFOQJKNDGFOLQF-UHFFFAOYSA-N 1 2 288.391 2.435 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1Cc2cccc(OC)c2C1 ZINC000626020842 350631760 /nfs/dbraw/zinc/63/17/60/350631760.db2.gz FFOQJKNDGFOLQF-UHFFFAOYSA-N 1 2 288.391 2.435 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626687452 350769015 /nfs/dbraw/zinc/76/90/15/350769015.db2.gz UCDPXCSCISCVBO-ZIAGYGMSSA-N 1 2 273.380 2.321 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](C3CCCCC3)C2)C1=O ZINC000337214404 366081875 /nfs/dbraw/zinc/08/18/75/366081875.db2.gz XLCDAUDFTOEUDP-CVEARBPZSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](C3CCCCC3)C2)C1=O ZINC000337214404 366081879 /nfs/dbraw/zinc/08/18/79/366081879.db2.gz XLCDAUDFTOEUDP-CVEARBPZSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124023373 187118688 /nfs/dbraw/zinc/11/86/88/187118688.db2.gz QFVGQHVTLJOEKU-ZNMIVQPWSA-N 1 2 291.395 2.274 20 30 CEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000630920256 351889445 /nfs/dbraw/zinc/88/94/45/351889445.db2.gz LTIAJWCQTBLXEO-CYBMUJFWSA-N 1 2 259.353 2.403 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)C(=O)OC ZINC000449297748 260374271 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CEEDLO Cc1ccc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)o1 ZINC000581824971 366824489 /nfs/dbraw/zinc/82/44/89/366824489.db2.gz PFRRKYBCMDCFIW-UHFFFAOYSA-N 1 2 281.319 2.134 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNc1cccc(C#N)n1 ZINC000301749865 201174631 /nfs/dbraw/zinc/17/46/31/201174631.db2.gz HXOJTZPLKVTZMV-UHFFFAOYSA-N 1 2 255.325 2.418 20 30 CEEDLO Cn1c(CCNc2ccc(C#N)nn2)[nH+]c2ccc(F)cc21 ZINC000302001491 201292258 /nfs/dbraw/zinc/29/22/58/201292258.db2.gz QLAIPPNYFFVSFY-UHFFFAOYSA-N 1 2 296.309 2.029 20 30 CEEDLO N#CC[C@@H](CC(=O)Nc1cc[nH+]cc1O)c1ccccc1 ZINC000356528606 370744242 /nfs/dbraw/zinc/74/42/42/370744242.db2.gz FSFZADIXWWAKDD-ZDUSSCGKSA-N 1 2 281.315 2.235 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(CC#N)cc2)C[C@@H](C)S1=O ZINC000335204844 364620732 /nfs/dbraw/zinc/62/07/32/364620732.db2.gz OHSZDRMZADSCLH-CHWSQXEVSA-N 1 2 276.405 2.094 20 30 CEEDLO C[C@@]([NH2+]Cc1ccc(F)cc1C#N)(C(N)=O)c1ccccc1 ZINC000103142035 364632324 /nfs/dbraw/zinc/63/23/24/364632324.db2.gz MXXFZLRNEYQQKO-KRWDZBQOSA-N 1 2 297.333 2.188 20 30 CEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1[nH]cc[nH+]1 ZINC000114335382 364937763 /nfs/dbraw/zinc/93/77/63/364937763.db2.gz BGBGHCXYUASNMN-OAHLLOKOSA-N 1 2 298.346 2.001 20 30 CEEDLO C[C@H](CC#N)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117789313 365125918 /nfs/dbraw/zinc/12/59/18/365125918.db2.gz ICGXBBKKFLIOBR-GFCCVEGCSA-N 1 2 268.320 2.246 20 30 CEEDLO CCOC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390366 365152710 /nfs/dbraw/zinc/15/27/10/365152710.db2.gz IXBBZISEKUTBPT-CYBMUJFWSA-N 1 2 287.363 2.393 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000119134136 365222374 /nfs/dbraw/zinc/22/23/74/365222374.db2.gz SOGTXDZUNIDKHO-UHFFFAOYSA-N 1 2 271.364 2.086 20 30 CEEDLO C=CCCOCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000680802786 541455029 /nfs/dbraw/zinc/45/50/29/541455029.db2.gz YYCHGLQVLQJRHV-QWHCGFSZSA-N 1 2 293.367 2.088 20 30 CEEDLO C=CCCOCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000680802786 541455033 /nfs/dbraw/zinc/45/50/33/541455033.db2.gz YYCHGLQVLQJRHV-QWHCGFSZSA-N 1 2 293.367 2.088 20 30 CEEDLO CC(C)c1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000582236994 366882676 /nfs/dbraw/zinc/88/26/76/366882676.db2.gz XIUHMGPWBUYWMR-INIZCTEOSA-N 1 2 275.396 2.428 20 30 CEEDLO CC(C)c1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000582236994 366882679 /nfs/dbraw/zinc/88/26/79/366882679.db2.gz XIUHMGPWBUYWMR-INIZCTEOSA-N 1 2 275.396 2.428 20 30 CEEDLO C[C@@H]1CC[N@H+](CCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000583319645 367032138 /nfs/dbraw/zinc/03/21/38/367032138.db2.gz AAIPSQYDLASJCA-VXGBXAGGSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@@H]1CC[N@@H+](CCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000583319645 367032144 /nfs/dbraw/zinc/03/21/44/367032144.db2.gz AAIPSQYDLASJCA-VXGBXAGGSA-N 1 2 252.358 2.200 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000596671611 367208220 /nfs/dbraw/zinc/20/82/20/367208220.db2.gz KUTAXFINOPORQJ-LBPRGKRZSA-N 1 2 280.331 2.219 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000596671611 367208223 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N#CCC1(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000344103484 368108439 /nfs/dbraw/zinc/10/84/39/368108439.db2.gz UGOWTDFMGOIMRC-CYBMUJFWSA-N 1 2 267.336 2.178 20 30 CEEDLO C=CCC[C@@H](CO)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633358040 368208968 /nfs/dbraw/zinc/20/89/68/368208968.db2.gz WQUBDVQUWFKAHN-AWEZNQCLSA-N 1 2 285.347 2.134 20 30 CEEDLO C#CCCCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180371636 368377637 /nfs/dbraw/zinc/37/76/37/368377637.db2.gz QHGWKTHPPUYLDY-LSDHHAIUSA-N 1 2 273.380 2.486 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(N(C)C)no1 ZINC000185253883 368775827 /nfs/dbraw/zinc/77/58/27/368775827.db2.gz YQJPSPJTSIGOMK-UHFFFAOYSA-N 1 2 286.379 2.366 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(N(C)C)no1 ZINC000185253883 368775833 /nfs/dbraw/zinc/77/58/33/368775833.db2.gz YQJPSPJTSIGOMK-UHFFFAOYSA-N 1 2 286.379 2.366 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185225235 368771723 /nfs/dbraw/zinc/77/17/23/368771723.db2.gz FQTCVIAXDAIUJH-NSHDSACASA-N 1 2 292.383 2.070 20 30 CEEDLO CC[C@@H](C)[C@@H]([NH2+]CCOc1ccccc1C#N)C(=O)OC ZINC000347993607 368850374 /nfs/dbraw/zinc/85/03/74/368850374.db2.gz BOHRIDHXOHPRBZ-IUODEOHRSA-N 1 2 290.363 2.114 20 30 CEEDLO Cn1nccc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000348364343 369020404 /nfs/dbraw/zinc/02/04/04/369020404.db2.gz MJOPRPVLIXXHHF-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO Cn1nccc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000348364343 369020405 /nfs/dbraw/zinc/02/04/05/369020405.db2.gz MJOPRPVLIXXHHF-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO C=C[C@H](C)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635675306 369281752 /nfs/dbraw/zinc/28/17/52/369281752.db2.gz SIIKDKMTCYJVOO-DTWKUNHWSA-N 1 2 261.247 2.067 20 30 CEEDLO CCCC[N@H+](CCCO)Cc1cnc2ccc(C#N)cn12 ZINC000349386951 369317325 /nfs/dbraw/zinc/31/73/25/369317325.db2.gz SRXLQCRCPKSSBV-UHFFFAOYSA-N 1 2 286.379 2.190 20 30 CEEDLO CCCC[N@@H+](CCCO)Cc1cnc2ccc(C#N)cn12 ZINC000349386951 369317330 /nfs/dbraw/zinc/31/73/30/369317330.db2.gz SRXLQCRCPKSSBV-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/59/92/72/369599272.db2.gz DVJJHRIWDHWGBZ-OTYXRUKQSA-N 1 2 254.293 2.165 20 30 CEEDLO Cc1ccc(Cc2noc([C@]3(C#N)C[C@@H]3C)n2)c[nH+]1 ZINC000351072661 369599306 /nfs/dbraw/zinc/59/93/06/369599306.db2.gz DVJJHRIWDHWGBZ-XPTSAGLGSA-N 1 2 254.293 2.165 20 30 CEEDLO CCOC(=O)[C@H](C)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000190818738 369653820 /nfs/dbraw/zinc/65/38/20/369653820.db2.gz ZZMDJVABSULGPJ-LBPRGKRZSA-N 1 2 272.348 2.474 20 30 CEEDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000190818738 369653826 /nfs/dbraw/zinc/65/38/26/369653826.db2.gz ZZMDJVABSULGPJ-LBPRGKRZSA-N 1 2 272.348 2.474 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000191085561 369674965 /nfs/dbraw/zinc/67/49/65/369674965.db2.gz BCTKTBJCBDSDQV-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000191085561 369674967 /nfs/dbraw/zinc/67/49/67/369674967.db2.gz BCTKTBJCBDSDQV-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352449179 369737237 /nfs/dbraw/zinc/73/72/37/369737237.db2.gz LMXQVVDRNIOFII-LLVKDONJSA-N 1 2 270.348 2.434 20 30 CEEDLO CN(C)c1[nH+]cccc1CNc1ccc(C#N)nc1 ZINC000352535100 369776042 /nfs/dbraw/zinc/77/60/42/369776042.db2.gz MNUNISYXNSZQQO-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000192237938 369781706 /nfs/dbraw/zinc/78/17/06/369781706.db2.gz OXEBRWFSVZCMNY-NSHDSACASA-N 1 2 262.378 2.301 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000192237938 369781709 /nfs/dbraw/zinc/78/17/09/369781709.db2.gz OXEBRWFSVZCMNY-NSHDSACASA-N 1 2 262.378 2.301 20 30 CEEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(C#N)n(C)c2)cs1 ZINC000276672543 193422599 /nfs/dbraw/zinc/42/25/99/193422599.db2.gz YWKKBDAMLKFEGD-JTQLQIEISA-N 1 2 290.392 2.350 20 30 CEEDLO CCc1cccc(F)c1C[NH+]1CCN(CC#N)CC1 ZINC000353661506 370121860 /nfs/dbraw/zinc/12/18/60/370121860.db2.gz PFAZDESRXPUSKL-UHFFFAOYSA-N 1 2 261.344 2.029 20 30 CEEDLO C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2C#N)C[C@H](C)O1 ZINC000195301896 370123026 /nfs/dbraw/zinc/12/30/26/370123026.db2.gz BZETUBIGZIUWGR-GASCZTMLSA-N 1 2 287.407 2.099 20 30 CEEDLO C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2C#N)C[C@H](C)O1 ZINC000195301896 370123031 /nfs/dbraw/zinc/12/30/31/370123031.db2.gz BZETUBIGZIUWGR-GASCZTMLSA-N 1 2 287.407 2.099 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000354151450 370235811 /nfs/dbraw/zinc/23/58/11/370235811.db2.gz XNOVARLHXFMPSG-XJKSGUPXSA-N 1 2 288.395 2.141 20 30 CEEDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358562463 371118365 /nfs/dbraw/zinc/11/83/65/371118365.db2.gz GVCIWTYNNVCMNN-JTQLQIEISA-N 1 2 273.315 2.160 20 30 CEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000358633440 371147510 /nfs/dbraw/zinc/14/75/10/371147510.db2.gz RPZLEPQBQSJETJ-GFCCVEGCSA-N 1 2 250.367 2.187 20 30 CEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000358633440 371147517 /nfs/dbraw/zinc/14/75/17/371147517.db2.gz RPZLEPQBQSJETJ-GFCCVEGCSA-N 1 2 250.367 2.187 20 30 CEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000249078279 371291655 /nfs/dbraw/zinc/29/16/55/371291655.db2.gz MCEZWXATLUPAFC-XHDPSFHLSA-N 1 2 290.338 2.328 20 30 CEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000249078279 371291657 /nfs/dbraw/zinc/29/16/57/371291657.db2.gz MCEZWXATLUPAFC-XHDPSFHLSA-N 1 2 290.338 2.328 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccnn1CCC ZINC000639617542 371444937 /nfs/dbraw/zinc/44/49/37/371444937.db2.gz XEOFYUORFUVYSV-ZDUSSCGKSA-N 1 2 276.384 2.272 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccnn1CCC ZINC000639617542 371444940 /nfs/dbraw/zinc/44/49/40/371444940.db2.gz XEOFYUORFUVYSV-ZDUSSCGKSA-N 1 2 276.384 2.272 20 30 CEEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000639725988 371520321 /nfs/dbraw/zinc/52/03/21/371520321.db2.gz PJWDWHBNKWWSGK-QWRGUYRKSA-N 1 2 273.336 2.108 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000639786760 371567715 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CC#CC[NH2+]Cc1cn([C@@H](C)c2ccccc2)nn1 ZINC000640848791 372164957 /nfs/dbraw/zinc/16/49/57/372164957.db2.gz QUKRMKVTNPPQJS-ZDUSSCGKSA-N 1 2 254.337 2.000 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)s1 ZINC000362520466 372401746 /nfs/dbraw/zinc/40/17/46/372401746.db2.gz QBIKNHWIGFZCDR-CYBMUJFWSA-N 1 2 292.404 2.247 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)s1 ZINC000362520466 372401753 /nfs/dbraw/zinc/40/17/53/372401753.db2.gz QBIKNHWIGFZCDR-CYBMUJFWSA-N 1 2 292.404 2.247 20 30 CEEDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000362923615 372574653 /nfs/dbraw/zinc/57/46/53/372574653.db2.gz KYCLVUGQAURQRA-OAHLLOKOSA-N 1 2 272.348 2.394 20 30 CEEDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000362923615 372574660 /nfs/dbraw/zinc/57/46/60/372574660.db2.gz KYCLVUGQAURQRA-OAHLLOKOSA-N 1 2 272.348 2.394 20 30 CEEDLO C=C(C)[C@@H](CC(=O)NCc1cn2ccccc2[nH+]1)OCC ZINC000270111978 372669219 /nfs/dbraw/zinc/66/92/19/372669219.db2.gz JUKLAFLWPNIXHE-CQSZACIVSA-N 1 2 287.363 2.322 20 30 CEEDLO C=C(C)[C@H](CC(=O)N(C)CCCn1cc[nH+]c1)OCC ZINC000270174597 372689446 /nfs/dbraw/zinc/68/94/46/372689446.db2.gz DGOSWURKWWKDJR-AWEZNQCLSA-N 1 2 279.384 2.103 20 30 CEEDLO N#Cc1ccc(CN2CC[N@H+]([C@H]3C=CCCC3)CC2=O)cc1 ZINC000364678976 372790249 /nfs/dbraw/zinc/79/02/49/372790249.db2.gz QBFFAAWOKJOSGN-KRWDZBQOSA-N 1 2 295.386 2.311 20 30 CEEDLO N#Cc1ccc(CN2CC[N@@H+]([C@H]3C=CCCC3)CC2=O)cc1 ZINC000364678976 372790252 /nfs/dbraw/zinc/79/02/52/372790252.db2.gz QBFFAAWOKJOSGN-KRWDZBQOSA-N 1 2 295.386 2.311 20 30 CEEDLO CC(C)c1nnc([C@H](C)[NH2+]Cc2ccc(C#N)o2)[nH]1 ZINC000270626267 372871505 /nfs/dbraw/zinc/87/15/05/372871505.db2.gz DKMFYLMUOKMLNC-VIFPVBQESA-N 1 2 259.313 2.244 20 30 CEEDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271974151 373241031 /nfs/dbraw/zinc/24/10/31/373241031.db2.gz XIABUQOODWBYLB-JTQLQIEISA-N 1 2 273.315 2.160 20 30 CEEDLO N#CC1CCC(CNc2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000369711484 373495408 /nfs/dbraw/zinc/49/54/08/373495408.db2.gz CMZHBLWFGYFFIU-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000273170992 373748811 /nfs/dbraw/zinc/74/88/11/373748811.db2.gz OWPHJNBZSXXCBY-UHFFFAOYSA-N 1 2 296.374 2.485 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccoc3)CC2)o1 ZINC000371411664 373873343 /nfs/dbraw/zinc/87/33/43/373873343.db2.gz PGTFXMYJISBBKD-UHFFFAOYSA-N 1 2 299.330 2.092 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)o1 ZINC000371411664 373873352 /nfs/dbraw/zinc/87/33/52/373873352.db2.gz PGTFXMYJISBBKD-UHFFFAOYSA-N 1 2 299.330 2.092 20 30 CEEDLO C=C(C)CN(C)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645757694 374169163 /nfs/dbraw/zinc/16/91/63/374169163.db2.gz IYNQSYQOPCGPML-UHFFFAOYSA-N 1 2 286.379 2.403 20 30 CEEDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000373489561 374364065 /nfs/dbraw/zinc/36/40/65/374364065.db2.gz LXTOHFLDTPDCDU-LBPRGKRZSA-N 1 2 280.393 2.246 20 30 CEEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000373489561 374364072 /nfs/dbraw/zinc/36/40/72/374364072.db2.gz LXTOHFLDTPDCDU-LBPRGKRZSA-N 1 2 280.393 2.246 20 30 CEEDLO C#CCC(CC#C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000277552541 374561894 /nfs/dbraw/zinc/56/18/94/374561894.db2.gz SVFRTCRDCNRDPJ-UHFFFAOYSA-N 1 2 293.370 2.124 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000334225889 206219144 /nfs/dbraw/zinc/21/91/44/206219144.db2.gz DXIQPMRMKFWJIB-UHFFFAOYSA-N 1 2 269.279 2.329 20 30 CEEDLO C=CCCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277924732 374685556 /nfs/dbraw/zinc/68/55/56/374685556.db2.gz VYYGZZDJHKQKMC-UHFFFAOYSA-N 1 2 262.357 2.081 20 30 CEEDLO C=CCCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277924732 374685568 /nfs/dbraw/zinc/68/55/68/374685568.db2.gz VYYGZZDJHKQKMC-UHFFFAOYSA-N 1 2 262.357 2.081 20 30 CEEDLO C=CCN(c1cc(N2CCSCC2)[nH+]cn1)C1CC1 ZINC000278849889 374837097 /nfs/dbraw/zinc/83/70/97/374837097.db2.gz XGABYAWDTMALTQ-UHFFFAOYSA-N 1 2 276.409 2.185 20 30 CEEDLO C=CCN(c1cc(N2CCSCC2)nc[nH+]1)C1CC1 ZINC000278849889 374837104 /nfs/dbraw/zinc/83/71/04/374837104.db2.gz XGABYAWDTMALTQ-UHFFFAOYSA-N 1 2 276.409 2.185 20 30 CEEDLO C=CCCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279536831 374908730 /nfs/dbraw/zinc/90/87/30/374908730.db2.gz LMHXBWHLADIWKL-UHFFFAOYSA-N 1 2 262.357 2.265 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274243012 296225347 /nfs/dbraw/zinc/22/53/47/296225347.db2.gz YCRZNTJAOFREOR-SWLSCSKDSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274243012 296225348 /nfs/dbraw/zinc/22/53/48/296225348.db2.gz YCRZNTJAOFREOR-SWLSCSKDSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@]2(CCOC2)O1 ZINC000280250739 375144607 /nfs/dbraw/zinc/14/46/07/375144607.db2.gz BMZIKPHMIBLBGK-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@]2(CCOC2)O1 ZINC000280250739 375144615 /nfs/dbraw/zinc/14/46/15/375144615.db2.gz BMZIKPHMIBLBGK-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO CCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1C ZINC000576631555 335228087 /nfs/dbraw/zinc/22/80/87/335228087.db2.gz UXSWPQGLVVHXCA-MRXNPFEDSA-N 1 2 275.396 2.176 20 30 CEEDLO CCc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1C ZINC000576631555 335228089 /nfs/dbraw/zinc/22/80/89/335228089.db2.gz UXSWPQGLVVHXCA-MRXNPFEDSA-N 1 2 275.396 2.176 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000280840425 375339563 /nfs/dbraw/zinc/33/95/63/375339563.db2.gz XGVWNHSJCHFASA-UHFFFAOYSA-N 1 2 284.319 2.134 20 30 CEEDLO C#CC[N@@H+](Cc1ccnn1-c1ccccc1OC)C1CC1 ZINC000281233902 375366256 /nfs/dbraw/zinc/36/62/56/375366256.db2.gz VXNSPDXQCKQROD-UHFFFAOYSA-N 1 2 281.359 2.479 20 30 CEEDLO C#CC[N@H+](Cc1ccnn1-c1ccccc1OC)C1CC1 ZINC000281233902 375366265 /nfs/dbraw/zinc/36/62/65/375366265.db2.gz VXNSPDXQCKQROD-UHFFFAOYSA-N 1 2 281.359 2.479 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3cccc(O)c3)C2)C1 ZINC000408414245 375476042 /nfs/dbraw/zinc/47/60/42/375476042.db2.gz XQJJMQXAKDMMAX-IVMMDQJWSA-N 1 2 272.348 2.458 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)C1 ZINC000408414245 375476048 /nfs/dbraw/zinc/47/60/48/375476048.db2.gz XQJJMQXAKDMMAX-IVMMDQJWSA-N 1 2 272.348 2.458 20 30 CEEDLO C=CCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000263654165 190072016 /nfs/dbraw/zinc/07/20/16/190072016.db2.gz HQLALUDHOLVXBQ-UHFFFAOYSA-N 1 2 259.353 2.264 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)c2ncncc2C#N)c1C ZINC000558311787 376600708 /nfs/dbraw/zinc/60/07/08/376600708.db2.gz YFVDSNXBPULRNS-UHFFFAOYSA-N 1 2 283.335 2.005 20 30 CEEDLO N#Cc1ncccc1NCc1cn2c([nH+]1)CCCC2 ZINC000290527684 376820448 /nfs/dbraw/zinc/82/04/48/376820448.db2.gz GYYXOLRITXJHFV-UHFFFAOYSA-N 1 2 253.309 2.098 20 30 CEEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H]1C ZINC000328604240 376858332 /nfs/dbraw/zinc/85/83/32/376858332.db2.gz IKDJRSRLFWHQEK-UPJWGTAASA-N 1 2 276.384 2.405 20 30 CEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C3(C#N)CCCC3)n2)C1 ZINC000329388792 376958365 /nfs/dbraw/zinc/95/83/65/376958365.db2.gz RLQNZOKWVDJZTK-LBPRGKRZSA-N 1 2 290.367 2.187 20 30 CEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C3(C#N)CCCC3)n2)C1 ZINC000329388792 376958372 /nfs/dbraw/zinc/95/83/72/376958372.db2.gz RLQNZOKWVDJZTK-LBPRGKRZSA-N 1 2 290.367 2.187 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000329386721 376958781 /nfs/dbraw/zinc/95/87/81/376958781.db2.gz PUUAIQQWTZRYRW-CQSZACIVSA-N 1 2 298.390 2.496 20 30 CEEDLO C[C@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCOC1 ZINC000329678063 376990761 /nfs/dbraw/zinc/99/07/61/376990761.db2.gz QDVLVEJQHHLJPF-HNNXBMFYSA-N 1 2 277.368 2.145 20 30 CEEDLO Cc1cc(C#N)nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)n1 ZINC000291185142 377109532 /nfs/dbraw/zinc/10/95/32/377109532.db2.gz SFYGZCGYGINTJC-LLVKDONJSA-N 1 2 256.313 2.189 20 30 CEEDLO C=C[C@H](CO)Nc1[nH+]ccc(C)c1Br ZINC000291174653 377106191 /nfs/dbraw/zinc/10/61/91/377106191.db2.gz RFDXYHYXWSRZDS-MRVPVSSYSA-N 1 2 257.131 2.111 20 30 CEEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000424204543 377274317 /nfs/dbraw/zinc/27/43/17/377274317.db2.gz SYPLGOZBYRJPSR-MRVPVSSYSA-N 1 2 291.332 2.245 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCN(CC)C(=O)[C@@H]2C)cc1 ZINC000428435654 377494500 /nfs/dbraw/zinc/49/45/00/377494500.db2.gz OGYOHKPJMRBTLF-AWEZNQCLSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC)C(=O)[C@@H]2C)cc1 ZINC000428435654 377494508 /nfs/dbraw/zinc/49/45/08/377494508.db2.gz OGYOHKPJMRBTLF-AWEZNQCLSA-N 1 2 288.391 2.304 20 30 CEEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCCC[C@@H]2O)CCC[C@]12CCCCO2 ZINC000565048937 377543990 /nfs/dbraw/zinc/54/39/90/377543990.db2.gz NXTSWKPOWPPJHV-LUKYLMHMSA-N 1 2 292.423 2.465 20 30 CEEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCCC[C@@H]2O)CCC[C@]12CCCCO2 ZINC000565048937 377543996 /nfs/dbraw/zinc/54/39/96/377543996.db2.gz NXTSWKPOWPPJHV-LUKYLMHMSA-N 1 2 292.423 2.465 20 30 CEEDLO C=CCCCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000265503147 190187054 /nfs/dbraw/zinc/18/70/54/190187054.db2.gz LBOBCBHGXKRKSN-UHFFFAOYSA-N 1 2 257.337 2.301 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)nc1 ZINC000565169808 377584920 /nfs/dbraw/zinc/58/49/20/377584920.db2.gz HMBWEZBFASRMJM-OAHLLOKOSA-N 1 2 267.336 2.404 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)nc1 ZINC000565169808 377584926 /nfs/dbraw/zinc/58/49/26/377584926.db2.gz HMBWEZBFASRMJM-OAHLLOKOSA-N 1 2 267.336 2.404 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000565961002 377710384 /nfs/dbraw/zinc/71/03/84/377710384.db2.gz QOJKSIKPOUEUNJ-NSHDSACASA-N 1 2 268.320 2.407 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000565961002 377710389 /nfs/dbraw/zinc/71/03/89/377710389.db2.gz QOJKSIKPOUEUNJ-NSHDSACASA-N 1 2 268.320 2.407 20 30 CEEDLO N#CC1(C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000567103572 377801775 /nfs/dbraw/zinc/80/17/75/377801775.db2.gz BCKNOFMFXIRDGP-UHFFFAOYSA-N 1 2 258.321 2.241 20 30 CEEDLO C=CCOCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000436010056 377816440 /nfs/dbraw/zinc/81/64/40/377816440.db2.gz JBCLFFMJUOSEAP-CYBMUJFWSA-N 1 2 277.368 2.159 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)CC(C)(C)C#N)C1CC1 ZINC000433302647 377787616 /nfs/dbraw/zinc/78/76/16/377787616.db2.gz YHJXPTYAIXUYDK-GFCCVEGCSA-N 1 2 277.412 2.257 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1CC1 ZINC000433302647 377787623 /nfs/dbraw/zinc/78/76/23/377787623.db2.gz YHJXPTYAIXUYDK-GFCCVEGCSA-N 1 2 277.412 2.257 20 30 CEEDLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433318893 377790039 /nfs/dbraw/zinc/79/00/39/377790039.db2.gz MZMGNSXEOVLRLR-CQSZACIVSA-N 1 2 287.407 2.481 20 30 CEEDLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433318893 377790045 /nfs/dbraw/zinc/79/00/45/377790045.db2.gz MZMGNSXEOVLRLR-CQSZACIVSA-N 1 2 287.407 2.481 20 30 CEEDLO COC(=O)CC1(C[N@H+](CC#N)C2CCCC2)CC1 ZINC000440779099 377932088 /nfs/dbraw/zinc/93/20/88/377932088.db2.gz CUFQOFDBUAKZJS-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO COC(=O)CC1(C[N@@H+](CC#N)C2CCCC2)CC1 ZINC000440779099 377932091 /nfs/dbraw/zinc/93/20/91/377932091.db2.gz CUFQOFDBUAKZJS-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)CC[C@H]1C)C(=O)OC ZINC000449297746 378200637 /nfs/dbraw/zinc/20/06/37/378200637.db2.gz DTVOQNYAGRVSLZ-DGAVXFQQSA-N 1 2 269.385 2.145 20 30 CEEDLO N#C[C@@H]1[N@H+](CC2CCOCC2)CCC[C@]12CCCCO2 ZINC000447901353 378156354 /nfs/dbraw/zinc/15/63/54/378156354.db2.gz GNUZGGVHMSPASS-JKSUJKDBSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@@H]1[N@@H+](CC2CCOCC2)CCC[C@]12CCCCO2 ZINC000447901353 378156358 /nfs/dbraw/zinc/15/63/58/378156358.db2.gz GNUZGGVHMSPASS-JKSUJKDBSA-N 1 2 278.396 2.340 20 30 CEEDLO C=CC(C)(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000448669832 378178995 /nfs/dbraw/zinc/17/89/95/378178995.db2.gz HJRBDCGQJMFGAC-UHFFFAOYSA-N 1 2 261.369 2.090 20 30 CEEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000449871852 378238002 /nfs/dbraw/zinc/23/80/02/378238002.db2.gz PQUNBKSLIFFZQI-OAHLLOKOSA-N 1 2 292.423 2.102 20 30 CEEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000449871852 378238008 /nfs/dbraw/zinc/23/80/08/378238008.db2.gz PQUNBKSLIFFZQI-OAHLLOKOSA-N 1 2 292.423 2.102 20 30 CEEDLO N#CC1(C[N@H+]2CCCN(CC(F)(F)F)CC2)CCC1 ZINC000450253494 378329001 /nfs/dbraw/zinc/32/90/01/378329001.db2.gz OKDUGPBRAHAITL-UHFFFAOYSA-N 1 2 275.318 2.250 20 30 CEEDLO N#CC1(C[N@@H+]2CCCN(CC(F)(F)F)CC2)CCC1 ZINC000450253494 378329008 /nfs/dbraw/zinc/32/90/08/378329008.db2.gz OKDUGPBRAHAITL-UHFFFAOYSA-N 1 2 275.318 2.250 20 30 CEEDLO Cc1ncc(C[NH+]2CCN(CC3(C#N)CCC3)CC2)s1 ZINC000450361433 378375580 /nfs/dbraw/zinc/37/55/80/378375580.db2.gz NTSBJBXGHCRPEK-UHFFFAOYSA-N 1 2 290.436 2.263 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CCC1 ZINC000450394205 378390733 /nfs/dbraw/zinc/39/07/33/378390733.db2.gz PPJXUGCVZDHPBO-NXEZZACHSA-N 1 2 262.275 2.068 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CCC1 ZINC000450394205 378390737 /nfs/dbraw/zinc/39/07/37/378390737.db2.gz PPJXUGCVZDHPBO-NXEZZACHSA-N 1 2 262.275 2.068 20 30 CEEDLO CC[N@@H+](CC#N)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497110931 379051402 /nfs/dbraw/zinc/05/14/02/379051402.db2.gz YOXXQMHVJCFXFR-ZDUSSCGKSA-N 1 2 281.400 2.479 20 30 CEEDLO CC[N@H+](CC#N)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497110931 379051415 /nfs/dbraw/zinc/05/14/15/379051415.db2.gz YOXXQMHVJCFXFR-ZDUSSCGKSA-N 1 2 281.400 2.479 20 30 CEEDLO CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)C[C@H](C)C#N ZINC000507581453 379106842 /nfs/dbraw/zinc/10/68/42/379106842.db2.gz JOLPZULFWJSFRA-LLVKDONJSA-N 1 2 273.336 2.113 20 30 CEEDLO CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)C[C@H](C)C#N ZINC000507581453 379106848 /nfs/dbraw/zinc/10/68/48/379106848.db2.gz JOLPZULFWJSFRA-LLVKDONJSA-N 1 2 273.336 2.113 20 30 CEEDLO N#Cc1nccnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301183338 379213044 /nfs/dbraw/zinc/21/30/44/379213044.db2.gz OEVWLVRFZPGIKJ-UHFFFAOYSA-N 1 2 290.330 2.205 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000516721631 379306409 /nfs/dbraw/zinc/30/64/09/379306409.db2.gz IFHRONXRUBEJSD-FZMZJTMJSA-N 1 2 295.346 2.260 20 30 CEEDLO C#CCOCCNc1cc[nH+]c2c(OC)cccc12 ZINC000302559335 379396273 /nfs/dbraw/zinc/39/62/73/379396273.db2.gz SYQQMOBMDQCLHP-UHFFFAOYSA-N 1 2 256.305 2.305 20 30 CEEDLO C=CCN(CCOC)c1nc(C)[nH+]c2c1CCCC2 ZINC000302656737 379415632 /nfs/dbraw/zinc/41/56/32/379415632.db2.gz DCQHNVYCHIEGTD-UHFFFAOYSA-N 1 2 261.369 2.303 20 30 CEEDLO C[C@H]1CC(C(=O)N[C@](C)(C#N)C[NH+](C)C)C[C@H](C)C1 ZINC000519409004 379416032 /nfs/dbraw/zinc/41/60/32/379416032.db2.gz QAYAYACJZWTZEB-LALPHHSUSA-N 1 2 265.401 2.019 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)N(c1ccccc1)C(C)C ZINC000266954815 190293012 /nfs/dbraw/zinc/29/30/12/190293012.db2.gz VKASRSGRNSWISY-UHFFFAOYSA-N 1 2 258.365 2.383 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)N(c1ccccc1)C(C)C ZINC000266954815 190293013 /nfs/dbraw/zinc/29/30/13/190293013.db2.gz VKASRSGRNSWISY-UHFFFAOYSA-N 1 2 258.365 2.383 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)NC3(C#N)CCCC3)cc2n1C ZINC000526001908 379693228 /nfs/dbraw/zinc/69/32/28/379693228.db2.gz IKHCCLSJJSWYNI-UHFFFAOYSA-N 1 2 282.347 2.448 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H]2CCOC2)c1C ZINC000267322433 190320715 /nfs/dbraw/zinc/32/07/15/190320715.db2.gz OYSKEBQJCQPXGO-AWEZNQCLSA-N 1 2 276.380 2.194 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2CCOC2)c1C ZINC000267322433 190320716 /nfs/dbraw/zinc/32/07/16/190320716.db2.gz OYSKEBQJCQPXGO-AWEZNQCLSA-N 1 2 276.380 2.194 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528510328 379996477 /nfs/dbraw/zinc/99/64/77/379996477.db2.gz DEISLPRECMYKEJ-AWEZNQCLSA-N 1 2 277.412 2.402 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528510328 379996479 /nfs/dbraw/zinc/99/64/79/379996479.db2.gz DEISLPRECMYKEJ-AWEZNQCLSA-N 1 2 277.412 2.402 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000490891421 380267826 /nfs/dbraw/zinc/26/78/26/380267826.db2.gz FPGLBXZYJIJBGR-UHFFFAOYSA-N 1 2 259.309 2.402 20 30 CEEDLO C#CC[N@H+](CC)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000490891421 380267832 /nfs/dbraw/zinc/26/78/32/380267832.db2.gz FPGLBXZYJIJBGR-UHFFFAOYSA-N 1 2 259.309 2.402 20 30 CEEDLO CCOc1c(C[NH2+]C[C@@H](C)C#N)c(C)nn1CC(C)C ZINC000543623574 380333201 /nfs/dbraw/zinc/33/32/01/380333201.db2.gz ISYNPSOFQIWTFK-LBPRGKRZSA-N 1 2 278.400 2.496 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000491363340 380311245 /nfs/dbraw/zinc/31/12/45/380311245.db2.gz YXWDIVIGTBXEHW-JSGCOSHPSA-N 1 2 274.339 2.053 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000491363340 380311251 /nfs/dbraw/zinc/31/12/51/380311251.db2.gz YXWDIVIGTBXEHW-JSGCOSHPSA-N 1 2 274.339 2.053 20 30 CEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334412409 380375877 /nfs/dbraw/zinc/37/58/77/380375877.db2.gz LCPLXCGYABVIEJ-IAQYHMDHSA-N 1 2 275.327 2.319 20 30 CEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](C)(F)C1 ZINC000334412409 380375880 /nfs/dbraw/zinc/37/58/80/380375880.db2.gz LCPLXCGYABVIEJ-IAQYHMDHSA-N 1 2 275.327 2.319 20 30 CEEDLO Cc1cc(C)c(NC(=O)c2ccc(C#N)n2C)c(C)[nH+]1 ZINC000334552646 380579555 /nfs/dbraw/zinc/57/95/55/380579555.db2.gz GBDAWVXAQBBXAE-UHFFFAOYSA-N 1 2 268.320 2.469 20 30 CEEDLO C[C@@](C#N)(NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCC1 ZINC000493329700 380927729 /nfs/dbraw/zinc/92/77/29/380927729.db2.gz YDYQIIIFDWVJOK-KIUWMYQTSA-N 1 2 272.352 2.402 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000493722082 381142151 /nfs/dbraw/zinc/14/21/51/381142151.db2.gz LSNGQUBLRUKXMX-QQOXCAACSA-N 1 2 296.374 2.141 20 30 CEEDLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC#N ZINC000495813165 381186054 /nfs/dbraw/zinc/18/60/54/381186054.db2.gz FQLLVXCGPFXFMB-CYBMUJFWSA-N 1 2 267.373 2.281 20 30 CEEDLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CCC#N ZINC000495813165 381186062 /nfs/dbraw/zinc/18/60/62/381186062.db2.gz FQLLVXCGPFXFMB-CYBMUJFWSA-N 1 2 267.373 2.281 20 30 CEEDLO CC[N@@H+](Cc1cccc(C(=O)NC)c1)C[C@H](C)C#N ZINC000072960110 285104526 /nfs/dbraw/zinc/10/45/26/285104526.db2.gz BCZYCVQDKDCHEW-GFCCVEGCSA-N 1 2 259.353 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290.363 2.218 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)N1CCc2sccc2C1 ZINC000103469477 394716099 /nfs/dbraw/zinc/71/60/99/394716099.db2.gz AGONGVMKENBWMD-UHFFFAOYSA-N 1 2 291.420 2.258 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)N1CCc2sccc2C1 ZINC000103469477 394716101 /nfs/dbraw/zinc/71/61/01/394716101.db2.gz AGONGVMKENBWMD-UHFFFAOYSA-N 1 2 291.420 2.258 20 30 CEEDLO CC1(C)CC[N@H+](Cc2ccc(C#N)s2)CC[S@]1=O ZINC000335579357 394776560 /nfs/dbraw/zinc/77/65/60/394776560.db2.gz BTOQNZXEJHWAHE-GOSISDBHSA-N 1 2 282.434 2.353 20 30 CEEDLO CC1(C)CC[N@@H+](Cc2ccc(C#N)s2)CC[S@]1=O ZINC000335579357 394776564 /nfs/dbraw/zinc/77/65/64/394776564.db2.gz BTOQNZXEJHWAHE-GOSISDBHSA-N 1 2 282.434 2.353 20 30 CEEDLO C=CCCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360009242 394783524 /nfs/dbraw/zinc/78/35/24/394783524.db2.gz BJYCDQOAERRLTJ-UHFFFAOYSA-N 1 2 255.321 2.455 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000361111844 394816590 /nfs/dbraw/zinc/81/65/90/394816590.db2.gz VPBQKYFRIJGCOD-MJBXVCDLSA-N 1 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COc1cccc(/C=N/[C@@H]2CCN(c3cccc[nH+]3)C2)c1O ZINC000133117293 394944812 /nfs/dbraw/zinc/94/48/12/394944812.db2.gz SJHMMQNMCUPAPH-HIPSJFSSSA-N 1 2 297.358 2.494 20 30 CEEDLO CC(C)OCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)no1 ZINC000339203312 394951925 /nfs/dbraw/zinc/95/19/25/394951925.db2.gz HZNURQBUFLIKLI-SDDRHHMPSA-N 1 2 278.356 2.337 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)CNc1ccc(C#N)cc1 ZINC000339214606 394952957 /nfs/dbraw/zinc/95/29/57/394952957.db2.gz OUFFSZVQJKEQJT-UHFFFAOYSA-N 1 2 295.346 2.070 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1cc(C#N)ccc1F)CC2 ZINC000371700821 395029973 /nfs/dbraw/zinc/02/99/73/395029973.db2.gz QIEUVINJIQKVFV-UHFFFAOYSA-N 1 2 270.311 2.218 20 30 CEEDLO Cc1c[nH+]c(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)n1C ZINC000342856559 395025506 /nfs/dbraw/zinc/02/55/06/395025506.db2.gz ZSLSCROLZKHILT-ZBFHGGJFSA-N 1 2 288.395 2.156 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1COC(=O)NCC ZINC000285781809 394963988 /nfs/dbraw/zinc/96/39/88/394963988.db2.gz YSYMMAVKIRFFKM-NSHDSACASA-N 1 2 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/nfs/dbraw/zinc/08/49/73/395084973.db2.gz BYPSDAFSJRNWBS-UHFFFAOYSA-N 1 2 294.358 2.241 20 30 CEEDLO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000346264338 395093054 /nfs/dbraw/zinc/09/30/54/395093054.db2.gz DCPNPWLRBZDHLJ-GFCCVEGCSA-N 1 2 262.357 2.137 20 30 CEEDLO C=CCOc1cccc(C[N@@H+](C)Cc2nncn2C)c1 ZINC000290267027 395097556 /nfs/dbraw/zinc/09/75/56/395097556.db2.gz XLIIWENPAZDKET-UHFFFAOYSA-N 1 2 272.352 2.012 20 30 CEEDLO C=CCOc1cccc(C[N@H+](C)Cc2nncn2C)c1 ZINC000290267027 395097559 /nfs/dbraw/zinc/09/75/59/395097559.db2.gz XLIIWENPAZDKET-UHFFFAOYSA-N 1 2 272.352 2.012 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000155935940 395030721 /nfs/dbraw/zinc/03/07/21/395030721.db2.gz BKFYJDFCFWUGKA-CYBMUJFWSA-N 1 2 265.316 2.066 20 30 CEEDLO COCC1(C#N)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000343161439 395033424 /nfs/dbraw/zinc/03/34/24/395033424.db2.gz ODUMIRQXBLMJPN-UHFFFAOYSA-N 1 2 282.347 2.386 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000372297866 395038835 /nfs/dbraw/zinc/03/88/35/395038835.db2.gz KUPZVQHRXINDSW-DOTOQJQBSA-N 1 2 293.370 2.326 20 30 CEEDLO C=CCC1(c2nc(Cc3c[nH+]cn3C)no2)CCC1 ZINC000346966297 395115369 /nfs/dbraw/zinc/11/53/69/395115369.db2.gz WWHNYKBFAGUGIN-UHFFFAOYSA-N 1 2 258.325 2.392 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000348651738 395148508 /nfs/dbraw/zinc/14/85/08/395148508.db2.gz HUTGHQQATNDPJX-OAHLLOKOSA-N 1 2 291.420 2.332 20 30 CEEDLO CCc1nocc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507116392 395168630 /nfs/dbraw/zinc/16/86/30/395168630.db2.gz PZNRLVLTKJGYDC-UHFFFAOYSA-N 1 2 296.374 2.431 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000293198984 395225054 /nfs/dbraw/zinc/22/50/54/395225054.db2.gz QQYBZDYOGYMZJB-UHFFFAOYSA-N 1 2 273.361 2.190 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000293198984 395225058 /nfs/dbraw/zinc/22/50/58/395225058.db2.gz QQYBZDYOGYMZJB-UHFFFAOYSA-N 1 2 273.361 2.190 20 30 CEEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411262451 395325423 /nfs/dbraw/zinc/32/54/23/395325423.db2.gz HNBWQHDJDYESBP-CYBMUJFWSA-N 1 2 286.441 2.215 20 30 CEEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411262451 395325430 /nfs/dbraw/zinc/32/54/30/395325430.db2.gz HNBWQHDJDYESBP-CYBMUJFWSA-N 1 2 286.441 2.215 20 30 CEEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1)C[C@@H](C)C#N ZINC000353284863 395293790 /nfs/dbraw/zinc/29/37/90/395293790.db2.gz HBRZECDHSAIDLF-LBPRGKRZSA-N 1 2 260.337 2.455 20 30 CEEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1)C[C@@H](C)C#N ZINC000353284863 395293794 /nfs/dbraw/zinc/29/37/94/395293794.db2.gz HBRZECDHSAIDLF-LBPRGKRZSA-N 1 2 260.337 2.455 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCc2ccccc2NC1=O ZINC000188333269 395314738 /nfs/dbraw/zinc/31/47/38/395314738.db2.gz KXDORQFXUDNIHZ-IUODEOHRSA-N 1 2 271.364 2.421 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCc2ccccc2NC1=O ZINC000188333269 395314742 /nfs/dbraw/zinc/31/47/42/395314742.db2.gz KXDORQFXUDNIHZ-IUODEOHRSA-N 1 2 271.364 2.421 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000411230153 395323112 /nfs/dbraw/zinc/32/31/12/395323112.db2.gz UROTWGYFISVOKM-OLZOCXBDSA-N 1 2 294.420 2.240 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000411230153 395323115 /nfs/dbraw/zinc/32/31/15/395323115.db2.gz UROTWGYFISVOKM-OLZOCXBDSA-N 1 2 294.420 2.240 20 30 CEEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352467622 395257635 /nfs/dbraw/zinc/25/76/35/395257635.db2.gz LSPPEGAFQQOVOE-NSHDSACASA-N 1 2 269.364 2.007 20 30 CEEDLO N#CC1(F)CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000352484443 395260694 /nfs/dbraw/zinc/26/06/94/395260694.db2.gz PGDCCCAVEHXRGE-UHFFFAOYSA-N 1 2 281.375 2.011 20 30 CEEDLO C=CCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000354275650 395324026 /nfs/dbraw/zinc/32/40/26/395324026.db2.gz FYRINOZPTBGEKH-UHFFFAOYSA-N 1 2 270.336 2.353 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1F ZINC000192137532 395373025 /nfs/dbraw/zinc/37/30/25/395373025.db2.gz JXQJHBVRHYURAB-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1F ZINC000192137532 395373030 /nfs/dbraw/zinc/37/30/30/395373030.db2.gz JXQJHBVRHYURAB-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO C#CC[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000192223819 395376740 /nfs/dbraw/zinc/37/67/40/395376740.db2.gz BQUJZJUSIKRRPA-UHFFFAOYSA-N 1 2 265.360 2.426 20 30 CEEDLO C#CC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000192223819 395376743 /nfs/dbraw/zinc/37/67/43/395376743.db2.gz BQUJZJUSIKRRPA-UHFFFAOYSA-N 1 2 265.360 2.426 20 30 CEEDLO COC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)C1CC1 ZINC000411605574 395332471 /nfs/dbraw/zinc/33/24/71/395332471.db2.gz QQALWJFMQMMBIZ-CYBMUJFWSA-N 1 2 264.369 2.392 20 30 CEEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)C#N ZINC000354444523 395333010 /nfs/dbraw/zinc/33/30/10/395333010.db2.gz KOIJPROXLOCLTJ-LBPRGKRZSA-N 1 2 284.363 2.407 20 30 CEEDLO CC1(C#N)CN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000573263877 395604466 /nfs/dbraw/zinc/60/44/66/395604466.db2.gz MJICGZCMUASXML-UHFFFAOYSA-N 1 2 266.348 2.277 20 30 CEEDLO C=CCN(CCC#N)C(=O)Nc1cc(C)[nH+]cc1C ZINC000568195080 395550544 /nfs/dbraw/zinc/55/05/44/395550544.db2.gz GWFCHWUKVWSALF-UHFFFAOYSA-N 1 2 258.325 2.054 20 30 CEEDLO C[C@@H]1CCC[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000568519003 395563278 /nfs/dbraw/zinc/56/32/78/395563278.db2.gz WZPUGQPBHXFOCL-UMVBOHGHSA-N 1 2 265.401 2.163 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000568958466 395571538 /nfs/dbraw/zinc/57/15/38/395571538.db2.gz QVFHKSMARBQWPY-APPZFPTMSA-N 1 2 259.762 2.015 20 30 CEEDLO CSCc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000572752749 395587659 /nfs/dbraw/zinc/58/76/59/395587659.db2.gz GVRIBBUDQQUORP-HNNXBMFYSA-N 1 2 293.436 2.168 20 30 CEEDLO CSCc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000572752749 395587661 /nfs/dbraw/zinc/58/76/61/395587661.db2.gz GVRIBBUDQQUORP-HNNXBMFYSA-N 1 2 293.436 2.168 20 30 CEEDLO CCc1cc(N)nc(SCC(C)(C)CC#N)[nH+]1 ZINC000574100428 395626639 /nfs/dbraw/zinc/62/66/39/395626639.db2.gz ZANULROCMCDPSV-UHFFFAOYSA-N 1 2 250.371 2.484 20 30 CEEDLO CO[C@@]1(C)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459449390 395666209 /nfs/dbraw/zinc/66/62/09/395666209.db2.gz XOIAQJNQNDZKQB-HNNXBMFYSA-N 1 2 289.335 2.467 20 30 CEEDLO CO[C@@]1(C)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459449390 395666210 /nfs/dbraw/zinc/66/62/10/395666210.db2.gz XOIAQJNQNDZKQB-HNNXBMFYSA-N 1 2 289.335 2.467 20 30 CEEDLO Cc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)no1 ZINC000595635867 395666334 /nfs/dbraw/zinc/66/63/34/395666334.db2.gz NQGXTBLLEMWJOY-UHFFFAOYSA-N 1 2 256.309 2.275 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccnn1CC(C)C ZINC000648028525 395811262 /nfs/dbraw/zinc/81/12/62/395811262.db2.gz VMMBNNPTOIUUCN-UHFFFAOYSA-N 1 2 251.374 2.174 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccnn1CC(C)C ZINC000648028525 395811266 /nfs/dbraw/zinc/81/12/66/395811266.db2.gz VMMBNNPTOIUUCN-UHFFFAOYSA-N 1 2 251.374 2.174 20 30 CEEDLO COCC#CC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000649727173 396241588 /nfs/dbraw/zinc/24/15/88/396241588.db2.gz BTSSZXZBBIULOS-UHFFFAOYSA-N 1 2 267.731 2.487 20 30 CEEDLO COCC#CC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000649727173 396241590 /nfs/dbraw/zinc/24/15/90/396241590.db2.gz BTSSZXZBBIULOS-UHFFFAOYSA-N 1 2 267.731 2.487 20 30 CEEDLO C=CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000045857615 400160606 /nfs/dbraw/zinc/16/06/06/400160606.db2.gz NIWNPSGCLHXIRM-CYBMUJFWSA-N 1 2 288.326 2.134 20 30 CEEDLO N#C[C@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000217117840 400306952 /nfs/dbraw/zinc/30/69/52/400306952.db2.gz BQHXNSATIGPOJA-DQGBIZLVSA-N 1 2 260.381 2.427 20 30 CEEDLO N#C[C@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000217117840 400306954 /nfs/dbraw/zinc/30/69/54/400306954.db2.gz BQHXNSATIGPOJA-DQGBIZLVSA-N 1 2 260.381 2.427 20 30 CEEDLO Cc1cc(N2CCC[C@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000425271637 400574265 /nfs/dbraw/zinc/57/42/65/400574265.db2.gz VQMTUZVWTLJZSZ-HNNXBMFYSA-N 1 2 257.337 2.269 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(C#N)nc3)cc2[nH+]1 ZINC000359860212 155153797 /nfs/dbraw/zinc/15/37/97/155153797.db2.gz UENSKVKSERGJBZ-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO Cc1[nH]c2cc(NC(=O)c3ccc(C#N)nc3)ccc2[nH+]1 ZINC000359860212 155153799 /nfs/dbraw/zinc/15/37/99/155153799.db2.gz UENSKVKSERGJBZ-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651919931 401415702 /nfs/dbraw/zinc/41/57/02/401415702.db2.gz QUZSRHJYANVWCN-CQSZACIVSA-N 1 2 273.380 2.329 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360311775 155269727 /nfs/dbraw/zinc/26/97/27/155269727.db2.gz RDCYZHMHZNOKOY-SNVBAGLBSA-N 1 2 268.320 2.010 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000227272180 153343931 /nfs/dbraw/zinc/34/39/31/153343931.db2.gz BYINOGKPGWKXMS-GDBMZVCRSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000227272180 153343934 /nfs/dbraw/zinc/34/39/34/153343934.db2.gz BYINOGKPGWKXMS-GDBMZVCRSA-N 1 2 272.348 2.320 20 30 CEEDLO Cc1nsc(N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000367730390 156233767 /nfs/dbraw/zinc/23/37/67/156233767.db2.gz SLGBVUGCHQHCKI-NSHDSACASA-N 1 2 273.365 2.361 20 30 CEEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nnc2n1CCCCC2 ZINC000376554679 157244928 /nfs/dbraw/zinc/24/49/28/157244928.db2.gz VDFGEAAYSILIKC-LBPRGKRZSA-N 1 2 298.394 2.065 20 30 CEEDLO N#Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000547995606 298385063 /nfs/dbraw/zinc/38/50/63/298385063.db2.gz QWFSUXVQXHOJHG-LBPRGKRZSA-N 1 2 299.309 2.030 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000378396625 287131243 /nfs/dbraw/zinc/13/12/43/287131243.db2.gz OZQUKDBOGUQLEC-YOEHRIQHSA-N 1 2 285.391 2.026 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2F)nn1 ZINC000657290378 414835206 /nfs/dbraw/zinc/83/52/06/414835206.db2.gz NGDFPMXVXFCESA-UHFFFAOYSA-N 1 2 260.316 2.283 20 30 CEEDLO C#CC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191896171 414838585 /nfs/dbraw/zinc/83/85/85/414838585.db2.gz GWWLGGVVBQICTH-UHFFFAOYSA-N 1 2 263.138 2.386 20 30 CEEDLO C#CC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191896171 414838590 /nfs/dbraw/zinc/83/85/90/414838590.db2.gz GWWLGGVVBQICTH-UHFFFAOYSA-N 1 2 263.138 2.386 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2COc3ccc(C)cc32)nn1 ZINC000657400568 414914725 /nfs/dbraw/zinc/91/47/25/414914725.db2.gz HVUKBECUICHPEJ-OAHLLOKOSA-N 1 2 284.363 2.386 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)nn1 ZINC000653560872 415035037 /nfs/dbraw/zinc/03/50/37/415035037.db2.gz IRADSWXTBBJDSS-CQSZACIVSA-N 1 2 280.441 2.428 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@@H](C(C)C)C2)nn1 ZINC000653560872 415035039 /nfs/dbraw/zinc/03/50/39/415035039.db2.gz IRADSWXTBBJDSS-CQSZACIVSA-N 1 2 280.441 2.428 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)Cc2cccc(O)c2)nn1 ZINC000653563916 415038725 /nfs/dbraw/zinc/03/87/25/415038725.db2.gz HHNFZHGSWYXRDV-UHFFFAOYSA-N 1 2 272.352 2.192 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)Cc2cccc(O)c2)nn1 ZINC000653563916 415038727 /nfs/dbraw/zinc/03/87/27/415038727.db2.gz HHNFZHGSWYXRDV-UHFFFAOYSA-N 1 2 272.352 2.192 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2ccccn2)nn1 ZINC000653593181 415045782 /nfs/dbraw/zinc/04/57/82/415045782.db2.gz MOGLIEBBWIXQLQ-CYBMUJFWSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2ccccn2)nn1 ZINC000653593181 415045786 /nfs/dbraw/zinc/04/57/86/415045786.db2.gz MOGLIEBBWIXQLQ-CYBMUJFWSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cc(F)ccc1F)[C@@H](C)COC ZINC000661243031 415154783 /nfs/dbraw/zinc/15/47/83/415154783.db2.gz IJBCBDNHDCCRGS-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)[C@@H](C)COC ZINC000661243031 415154787 /nfs/dbraw/zinc/15/47/87/415154787.db2.gz IJBCBDNHDCCRGS-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc3cnccc3o2)nn1 ZINC000658038863 415170600 /nfs/dbraw/zinc/17/06/00/415170600.db2.gz SMYVLRAXUWPIJG-NSHDSACASA-N 1 2 283.335 2.456 20 30 CEEDLO C=CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000661570334 415332841 /nfs/dbraw/zinc/33/28/41/415332841.db2.gz DRPVPTCKXDJHAR-UHFFFAOYSA-N 1 2 262.357 2.149 20 30 CEEDLO C=CCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000661570199 415333961 /nfs/dbraw/zinc/33/39/61/415333961.db2.gz CKZJZALLLNOWQY-AWEZNQCLSA-N 1 2 288.395 2.046 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1CC1 ZINC000655797935 415475576 /nfs/dbraw/zinc/47/55/76/415475576.db2.gz SDVRAZBHEINPIB-QWHCGFSZSA-N 1 2 276.384 2.491 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000662168718 415667199 /nfs/dbraw/zinc/66/71/99/415667199.db2.gz RRNIRAPNKKIPAJ-WCBMZHEXSA-N 1 2 292.408 2.088 20 30 CEEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000070741031 176004600 /nfs/dbraw/zinc/00/46/00/176004600.db2.gz QGDHETAPFQDHFO-OAHLLOKOSA-N 1 2 272.348 2.476 20 30 CEEDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000070741031 176004601 /nfs/dbraw/zinc/00/46/01/176004601.db2.gz QGDHETAPFQDHFO-OAHLLOKOSA-N 1 2 272.348 2.476 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Cl)s2)nn1 ZINC000656444132 415705370 /nfs/dbraw/zinc/70/53/70/415705370.db2.gz AJYISEHGVRNWFX-UHFFFAOYSA-N 1 2 280.784 2.154 20 30 CEEDLO C#CC[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000076968355 177136084 /nfs/dbraw/zinc/13/60/84/177136084.db2.gz XDBGHHYRAKGPFL-CQSZACIVSA-N 1 2 296.374 2.048 20 30 CEEDLO N#CCN1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000347790151 226375808 /nfs/dbraw/zinc/37/58/08/226375808.db2.gz SOKUSWDVLKUSKA-OWOJBTEDSA-N 1 2 277.318 2.119 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC[S@]1=O ZINC000336591020 227144272 /nfs/dbraw/zinc/14/42/72/227144272.db2.gz WXQSPDVAUKCDDB-RNODOKPDSA-N 1 2 290.432 2.441 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[S@]1=O ZINC000336591020 227144275 /nfs/dbraw/zinc/14/42/75/227144275.db2.gz WXQSPDVAUKCDDB-RNODOKPDSA-N 1 2 290.432 2.441 20 30 CEEDLO Cc1cccn2cc(CC(=O)N3CCC(C)(C#N)CC3)[nH+]c12 ZINC000335973283 228172178 /nfs/dbraw/zinc/17/21/78/228172178.db2.gz ARSOJOXCGOFTBF-UHFFFAOYSA-N 1 2 296.374 2.338 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000297471611 260127336 /nfs/dbraw/zinc/12/73/36/260127336.db2.gz RVHBAAXRTTUTEV-UHFFFAOYSA-N 1 2 262.357 2.011 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CC ZINC000298550657 260156354 /nfs/dbraw/zinc/15/63/54/260156354.db2.gz ODJAHUXUAIDEPX-CABCVRRESA-N 1 2 272.392 2.425 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CC ZINC000298550657 260156355 /nfs/dbraw/zinc/15/63/55/260156355.db2.gz ODJAHUXUAIDEPX-CABCVRRESA-N 1 2 272.392 2.425 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2c(C)noc2C)cc1 ZINC000048610506 260201602 /nfs/dbraw/zinc/20/16/02/260201602.db2.gz DTHZAURQKHJYSW-UHFFFAOYSA-N 1 2 275.308 2.137 20 30 CEEDLO Cn1c2ccc(NC(=O)CC#N)cc2[nH+]c1C1CC1 ZINC000154031190 261086926 /nfs/dbraw/zinc/08/69/26/261086926.db2.gz ZGMJPYDAQGQOSX-UHFFFAOYSA-N 1 2 254.293 2.303 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCc2ccccc2NC1=O ZINC000248953043 261223897 /nfs/dbraw/zinc/22/38/97/261223897.db2.gz KXDORQFXUDNIHZ-WFASDCNBSA-N 1 2 271.364 2.421 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCc2ccccc2NC1=O ZINC000248953043 261223898 /nfs/dbraw/zinc/22/38/98/261223898.db2.gz KXDORQFXUDNIHZ-WFASDCNBSA-N 1 2 271.364 2.421 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000184084638 262007771 /nfs/dbraw/zinc/00/77/71/262007771.db2.gz BJWHUNNRLWORLJ-LLVKDONJSA-N 1 2 263.297 2.385 20 30 CEEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1CCCOC1 ZINC000336798097 262396702 /nfs/dbraw/zinc/39/67/02/262396702.db2.gz CPMWOLQWDHCKTR-HNNXBMFYSA-N 1 2 259.353 2.224 20 30 CEEDLO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1CCCOC1 ZINC000336798097 262396704 /nfs/dbraw/zinc/39/67/04/262396704.db2.gz CPMWOLQWDHCKTR-HNNXBMFYSA-N 1 2 259.353 2.224 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc2c1OCO2 ZINC000271131565 262993390 /nfs/dbraw/zinc/99/33/90/262993390.db2.gz OOBIYJWXHMQIMI-JTQLQIEISA-N 1 2 262.309 2.015 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc2c1OCO2 ZINC000271131565 262993391 /nfs/dbraw/zinc/99/33/91/262993391.db2.gz OOBIYJWXHMQIMI-JTQLQIEISA-N 1 2 262.309 2.015 20 30 CEEDLO CC(C)[C@H](O)C1(C/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000271827693 263000010 /nfs/dbraw/zinc/00/00/10/263000010.db2.gz QCMNTNIYLGRQOV-BRSWLGOBSA-N 1 2 263.337 2.314 20 30 CEEDLO N#CC1(c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)CCC1 ZINC000273936220 263020546 /nfs/dbraw/zinc/02/05/46/263020546.db2.gz RTAAJXVQHOYDTP-UHFFFAOYSA-N 1 2 292.302 2.263 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000276659622 263037835 /nfs/dbraw/zinc/03/78/35/263037835.db2.gz XVMUYYRUFMAYMN-KSEDQGMOSA-N 1 2 258.325 2.012 20 30 CEEDLO CC(C)(C#N)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000278869706 263051473 /nfs/dbraw/zinc/05/14/73/263051473.db2.gz MXCSAVASIIJOBX-UHFFFAOYSA-N 1 2 282.347 2.428 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cncc(F)c1 ZINC000280946167 263065229 /nfs/dbraw/zinc/06/52/29/263065229.db2.gz JGRHOBRSTGPKQX-SNVBAGLBSA-N 1 2 269.320 2.071 20 30 CEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000283973433 263085351 /nfs/dbraw/zinc/08/53/51/263085351.db2.gz GLABJDHBWVZVJC-GXFFZTMASA-N 1 2 259.309 2.087 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000285449686 263092903 /nfs/dbraw/zinc/09/29/03/263092903.db2.gz MQXUZDKULUDQDO-QGZVFWFLSA-N 1 2 296.374 2.487 20 30 CEEDLO CCNc1nc(NC(C)(C)C)nc(NCCCC#N)[nH+]1 ZINC000287009093 263100669 /nfs/dbraw/zinc/10/06/69/263100669.db2.gz UWWBRKYDKBRKIO-UHFFFAOYSA-N 1 2 277.376 2.229 20 30 CEEDLO CCNc1nc(NCCCC#N)nc(NC(C)(C)C)[nH+]1 ZINC000287009093 263100670 /nfs/dbraw/zinc/10/06/70/263100670.db2.gz UWWBRKYDKBRKIO-UHFFFAOYSA-N 1 2 277.376 2.229 20 30 CEEDLO CCNc1nc(NCCCC#N)[nH+]c(NC(C)(C)C)n1 ZINC000287009093 263100671 /nfs/dbraw/zinc/10/06/71/263100671.db2.gz UWWBRKYDKBRKIO-UHFFFAOYSA-N 1 2 277.376 2.229 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2scnc2C)cc1 ZINC000289301828 263108871 /nfs/dbraw/zinc/10/88/71/263108871.db2.gz ADEDUTZCRIBYJW-UHFFFAOYSA-N 1 2 291.376 2.492 20 30 CEEDLO N#CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000290237234 263115698 /nfs/dbraw/zinc/11/56/98/263115698.db2.gz GIMCBLWJFQXJCB-UHFFFAOYSA-N 1 2 293.168 2.490 20 30 CEEDLO N#CCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000292247685 263130001 /nfs/dbraw/zinc/13/00/01/263130001.db2.gz GWETZIGBDDRWCD-UHFFFAOYSA-N 1 2 268.320 2.182 20 30 CEEDLO CN(C)c1[nH]c2ccc(NC(=O)CCCC#N)cc2[nH+]1 ZINC000293180766 263138424 /nfs/dbraw/zinc/13/84/24/263138424.db2.gz HLRNKXAZNZXYBX-UHFFFAOYSA-N 1 2 271.324 2.261 20 30 CEEDLO N#CCC[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000298531444 263221271 /nfs/dbraw/zinc/22/12/71/263221271.db2.gz MEQWZAULIZDZEQ-HNNXBMFYSA-N 1 2 267.332 2.093 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000299153253 263231909 /nfs/dbraw/zinc/23/19/09/263231909.db2.gz GRKRGXNGFSIKRX-CABZTGNLSA-N 1 2 254.280 2.090 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000299153253 263231905 /nfs/dbraw/zinc/23/19/05/263231905.db2.gz GRKRGXNGFSIKRX-CABZTGNLSA-N 1 2 254.280 2.090 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000299153252 263232208 /nfs/dbraw/zinc/23/22/08/263232208.db2.gz GRKRGXNGFSIKRX-BXKDBHETSA-N 1 2 254.280 2.090 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000299153252 263232209 /nfs/dbraw/zinc/23/22/09/263232209.db2.gz GRKRGXNGFSIKRX-BXKDBHETSA-N 1 2 254.280 2.090 20 30 CEEDLO N#CCN(Cc1cn2cc(Cl)ccc2[nH+]1)C1CC1 ZINC000299504839 263244393 /nfs/dbraw/zinc/24/43/93/263244393.db2.gz CQWNWDTWJIKESP-UHFFFAOYSA-N 1 2 260.728 2.476 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000342001254 263375300 /nfs/dbraw/zinc/37/53/00/263375300.db2.gz WFKRZBKYAIWUMK-UHFFFAOYSA-N 1 2 287.338 2.450 20 30 CEEDLO C=C(CC)CS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341990567 263382132 /nfs/dbraw/zinc/38/21/32/263382132.db2.gz APUSYCFKXQIAKG-CYBMUJFWSA-N 1 2 270.442 2.238 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000330804207 264043078 /nfs/dbraw/zinc/04/30/78/264043078.db2.gz BLDLRQMDGIOGJY-NOZJJQNGSA-N 1 2 279.290 2.185 20 30 CEEDLO COC[C@@](C)(C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331064884 264111353 /nfs/dbraw/zinc/11/13/53/264111353.db2.gz PKUCPESSVWCJNF-OAHLLOKOSA-N 1 2 286.335 2.115 20 30 CEEDLO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000331250852 264181019 /nfs/dbraw/zinc/18/10/19/264181019.db2.gz WVJBNUAFQNVJON-NXEZZACHSA-N 1 2 293.323 2.088 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)CCO)c(C)[nH+]1 ZINC000331251137 264181195 /nfs/dbraw/zinc/18/11/95/264181195.db2.gz ZOWMYEQRFRSJCU-VIFPVBQESA-N 1 2 251.330 2.104 20 30 CEEDLO CSC[C@@](C)(O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331334557 264193068 /nfs/dbraw/zinc/19/30/68/264193068.db2.gz PUNXBVOSLWSVJR-AWEZNQCLSA-N 1 2 297.424 2.447 20 30 CEEDLO Cc1ccoc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331360354 264209130 /nfs/dbraw/zinc/20/91/30/264209130.db2.gz XSZJNVWJWKXIOA-UHFFFAOYSA-N 1 2 266.341 2.003 20 30 CEEDLO COc1cc[nH+]c(CN(CC#N)C2CCCC2)c1OC ZINC000188666943 264234715 /nfs/dbraw/zinc/23/47/15/264234715.db2.gz LOOUISJVBKQXSO-UHFFFAOYSA-N 1 2 275.352 2.367 20 30 CEEDLO N#CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCCC1 ZINC000189368079 264293926 /nfs/dbraw/zinc/29/39/26/264293926.db2.gz AMLDCPRQWCOJIZ-JTQLQIEISA-N 1 2 250.264 2.068 20 30 CEEDLO N#CC[N@H+](C[C@@H](O)CC(F)(F)F)C1CCCC1 ZINC000189368079 264293927 /nfs/dbraw/zinc/29/39/27/264293927.db2.gz AMLDCPRQWCOJIZ-JTQLQIEISA-N 1 2 250.264 2.068 20 30 CEEDLO N#CCCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425502812 264363707 /nfs/dbraw/zinc/36/37/07/264363707.db2.gz DAPXQZXUKOCTFD-TXEJJXNPSA-N 1 2 280.274 2.093 20 30 CEEDLO N#CCCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425502812 264363709 /nfs/dbraw/zinc/36/37/09/264363709.db2.gz DAPXQZXUKOCTFD-TXEJJXNPSA-N 1 2 280.274 2.093 20 30 CEEDLO Cc1cc(CNC(=O)C2(C#N)CCCC2)cc(C)[nH+]1 ZINC000335076259 265088314 /nfs/dbraw/zinc/08/83/14/265088314.db2.gz WJRASPYYFGXWMK-UHFFFAOYSA-N 1 2 257.337 2.399 20 30 CEEDLO C=C(C)CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356915472 266211076 /nfs/dbraw/zinc/21/10/76/266211076.db2.gz KGZGAVIXJMRMLW-LLVKDONJSA-N 1 2 261.369 2.330 20 30 CEEDLO C=C(C)CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356915472 266211079 /nfs/dbraw/zinc/21/10/79/266211079.db2.gz KGZGAVIXJMRMLW-LLVKDONJSA-N 1 2 261.369 2.330 20 30 CEEDLO CCCNC(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425224644 267024663 /nfs/dbraw/zinc/02/46/63/267024663.db2.gz OMDWDKLEFLMAHO-ZDUSSCGKSA-N 1 2 286.379 2.004 20 30 CEEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000399955223 267166768 /nfs/dbraw/zinc/16/67/68/267166768.db2.gz KDDVJVTTWBWQKW-MGNBDDOMSA-N 1 2 284.812 2.410 20 30 CEEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000399955223 267166769 /nfs/dbraw/zinc/16/67/69/267166769.db2.gz KDDVJVTTWBWQKW-MGNBDDOMSA-N 1 2 284.812 2.410 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369366339 267237884 /nfs/dbraw/zinc/23/78/84/267237884.db2.gz MTZFUTAHOQJKQJ-CQSZACIVSA-N 1 2 273.380 2.320 20 30 CEEDLO C#CC[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000369749433 267263430 /nfs/dbraw/zinc/26/34/30/267263430.db2.gz UIKRHOQUBATTSL-CYBMUJFWSA-N 1 2 282.347 2.083 20 30 CEEDLO CCn1nnc(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000449008781 267265733 /nfs/dbraw/zinc/26/57/33/267265733.db2.gz FIYBGFFCKBYHHV-UHFFFAOYSA-N 1 2 269.352 2.110 20 30 CEEDLO CCn1nnc(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000449008781 267265736 /nfs/dbraw/zinc/26/57/36/267265736.db2.gz FIYBGFFCKBYHHV-UHFFFAOYSA-N 1 2 269.352 2.110 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000369804397 267267436 /nfs/dbraw/zinc/26/74/36/267267436.db2.gz UECQBCMUWXSMOB-CVEARBPZSA-N 1 2 283.375 2.037 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000369804397 267267439 /nfs/dbraw/zinc/26/74/39/267267439.db2.gz UECQBCMUWXSMOB-CVEARBPZSA-N 1 2 283.375 2.037 20 30 CEEDLO CN(C)c1cc(C#N)cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000518990970 267290728 /nfs/dbraw/zinc/29/07/28/267290728.db2.gz YQSFTZPCICJQLV-UHFFFAOYSA-N 1 2 297.362 2.012 20 30 CEEDLO Cc1cc(NCCc2ccc3c(c2)OCCO3)c(C#N)c[nH+]1 ZINC000399749804 267299592 /nfs/dbraw/zinc/29/95/92/267299592.db2.gz SYPWGHDLGLRUEE-UHFFFAOYSA-N 1 2 295.342 2.109 20 30 CEEDLO Cc1cc(NCCOCC2CCCC2)c(C#N)c[nH+]1 ZINC000399460759 267300604 /nfs/dbraw/zinc/30/06/04/267300604.db2.gz RBBVPAMNSHWPBC-UHFFFAOYSA-N 1 2 259.353 2.302 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000370364880 267312626 /nfs/dbraw/zinc/31/26/26/267312626.db2.gz CFJWACNXGGYTKF-CQSZACIVSA-N 1 2 299.374 2.296 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000120090776 267356888 /nfs/dbraw/zinc/35/68/88/267356888.db2.gz PKVISLBFGFNUPL-UHFFFAOYSA-N 1 2 290.411 2.330 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000418145282 267366373 /nfs/dbraw/zinc/36/63/73/267366373.db2.gz XAYVRIVDYMUBHI-UHFFFAOYSA-N 1 2 262.309 2.240 20 30 CEEDLO Cc1c([C@H]2CCC[N@@H+]2C[C@H](C#N)CCC#N)cnn1C ZINC000371377508 267398058 /nfs/dbraw/zinc/39/80/58/267398058.db2.gz CTVONNAKKABAKQ-DZGCQCFKSA-N 1 2 271.368 2.309 20 30 CEEDLO Cc1c([C@H]2CCC[N@H+]2C[C@H](C#N)CCC#N)cnn1C ZINC000371377508 267398064 /nfs/dbraw/zinc/39/80/64/267398064.db2.gz CTVONNAKKABAKQ-DZGCQCFKSA-N 1 2 271.368 2.309 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)ncn2)c1C ZINC000516820518 267555629 /nfs/dbraw/zinc/55/56/29/267555629.db2.gz LABNKLUIFOQZTQ-UHFFFAOYSA-N 1 2 283.335 2.005 20 30 CEEDLO C=CCN(CC)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000372819386 267607185 /nfs/dbraw/zinc/60/71/85/267607185.db2.gz HGDBRCWGYXZARR-CYBMUJFWSA-N 1 2 276.384 2.286 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455866477 268082168 /nfs/dbraw/zinc/08/21/68/268082168.db2.gz VJHLFHJYALUFCH-UHFFFAOYSA-N 1 2 296.374 2.475 20 30 CEEDLO N#Cc1c(F)cccc1N1CC[NH+](CC2(F)CC2)CC1 ZINC000526970216 268165265 /nfs/dbraw/zinc/16/52/65/268165265.db2.gz DGJSHDYBVDCHIY-UHFFFAOYSA-N 1 2 277.318 2.321 20 30 CEEDLO N#Cc1cccc(C#N)c1NCCNc1cccc[nH+]1 ZINC000436270431 268270774 /nfs/dbraw/zinc/27/07/74/268270774.db2.gz AYQWYXFEDMZLAM-UHFFFAOYSA-N 1 2 263.304 2.349 20 30 CEEDLO N#Cc1cccc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000531147518 268272241 /nfs/dbraw/zinc/27/22/41/268272241.db2.gz QTTVMRPOANZMFL-UHFFFAOYSA-N 1 2 294.358 2.161 20 30 CEEDLO Cc1cc(C)c(C#N)c(SCC[N@H+]2CCOC[C@H]2C)n1 ZINC000188204230 270256145 /nfs/dbraw/zinc/25/61/45/270256145.db2.gz SGBGDBHNMFPSAI-CYBMUJFWSA-N 1 2 291.420 2.383 20 30 CEEDLO Cc1cc(C)c(C#N)c(SCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000188204230 270256146 /nfs/dbraw/zinc/25/61/46/270256146.db2.gz SGBGDBHNMFPSAI-CYBMUJFWSA-N 1 2 291.420 2.383 20 30 CEEDLO CCOC(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399357233 270369168 /nfs/dbraw/zinc/36/91/68/270369168.db2.gz AAKPKOFLUIPTDB-LBPRGKRZSA-N 1 2 273.336 2.041 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)n1 ZINC000430149567 271360186 /nfs/dbraw/zinc/36/01/86/271360186.db2.gz NHKBRMORKVBICI-LBPRGKRZSA-N 1 2 277.393 2.263 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)n1 ZINC000430149567 271360187 /nfs/dbraw/zinc/36/01/87/271360187.db2.gz NHKBRMORKVBICI-LBPRGKRZSA-N 1 2 277.393 2.263 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2nc(C#N)cs2)CCCO1 ZINC000356295863 281171337 /nfs/dbraw/zinc/17/13/37/281171337.db2.gz HJEOHYUPMHPMRW-NSHDSACASA-N 1 2 251.355 2.016 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CCCO1 ZINC000356295863 281171339 /nfs/dbraw/zinc/17/13/39/281171339.db2.gz HJEOHYUPMHPMRW-NSHDSACASA-N 1 2 251.355 2.016 20 30 CEEDLO CC1(C)CC[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330197149 278278894 /nfs/dbraw/zinc/27/88/94/278278894.db2.gz RJZWYZININRCBN-RYUDHWBXSA-N 1 2 276.384 2.280 20 30 CEEDLO CC1(C)CC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330197149 278278895 /nfs/dbraw/zinc/27/88/95/278278895.db2.gz RJZWYZININRCBN-RYUDHWBXSA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ncn(C)n1 ZINC000353598039 278284180 /nfs/dbraw/zinc/28/41/80/278284180.db2.gz RZDPYYZJZKPCML-HZMBPMFUSA-N 1 2 267.336 2.025 20 30 CEEDLO Cc1c(Cl)cnc(N2CCn3cc[nH+]c3C2)c1C#N ZINC000408182673 278599559 /nfs/dbraw/zinc/59/95/59/278599559.db2.gz LIKPPFAEEJXLRF-UHFFFAOYSA-N 1 2 273.727 2.132 20 30 CEEDLO CCCC[C@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000135231724 280039611 /nfs/dbraw/zinc/03/96/11/280039611.db2.gz NIGCVJWBSWJYRP-HNNXBMFYSA-N 1 2 290.363 2.258 20 30 CEEDLO C[C@@H]1COCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000332280795 288334767 /nfs/dbraw/zinc/33/47/67/288334767.db2.gz RIGHUMUXFVLQET-SMDDNHRTSA-N 1 2 273.336 2.103 20 30 CEEDLO C[C@@H]1COCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000332280795 288334772 /nfs/dbraw/zinc/33/47/72/288334772.db2.gz RIGHUMUXFVLQET-SMDDNHRTSA-N 1 2 273.336 2.103 20 30 CEEDLO N#Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccn1 ZINC000193017462 303179686 /nfs/dbraw/zinc/17/96/86/303179686.db2.gz HRVLFWAMIXMFFY-ZDUSSCGKSA-N 1 2 281.319 2.044 20 30 CEEDLO CC1CC(C#N)(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000531555111 328017236 /nfs/dbraw/zinc/01/72/36/328017236.db2.gz ZSLDERCRERBVTG-UHFFFAOYSA-N 1 2 298.390 2.238 20 30 CEEDLO COc1c(C)[nH+]c(C2CC2)nc1NCCCCC#N ZINC000563416657 328063440 /nfs/dbraw/zinc/06/34/40/328063440.db2.gz IZTIVJTUTVHNFS-UHFFFAOYSA-N 1 2 260.341 2.199 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000563591701 328075333 /nfs/dbraw/zinc/07/53/33/328075333.db2.gz WDIGKOCFLBIJHR-DOMZBBRYSA-N 1 2 299.353 2.247 20 30 CEEDLO CC(C)[C@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264700292 328161782 /nfs/dbraw/zinc/16/17/82/328161782.db2.gz CHXHPCRDIRSRFL-HNNXBMFYSA-N 1 2 282.347 2.209 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1Cl ZINC000267192026 328174936 /nfs/dbraw/zinc/17/49/36/328174936.db2.gz MOTOBQCHWJWDNM-LBPRGKRZSA-N 1 2 282.771 2.315 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1Cl ZINC000267192026 328174938 /nfs/dbraw/zinc/17/49/38/328174938.db2.gz MOTOBQCHWJWDNM-LBPRGKRZSA-N 1 2 282.771 2.315 20 30 CEEDLO NC(=[NH+]OCc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000284449715 328245839 /nfs/dbraw/zinc/24/58/39/328245839.db2.gz PWOLZLASZRNLQL-LLVKDONJSA-N 1 2 272.707 2.447 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1 ZINC000289948927 328256982 /nfs/dbraw/zinc/25/69/82/328256982.db2.gz ZXIWFZNYBIYLSS-SCLBCKFNSA-N 1 2 261.390 2.011 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1 ZINC000289948927 328256983 /nfs/dbraw/zinc/25/69/83/328256983.db2.gz ZXIWFZNYBIYLSS-SCLBCKFNSA-N 1 2 261.390 2.011 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000298341757 328295755 /nfs/dbraw/zinc/29/57/55/328295755.db2.gz DXOOEMBSFGOECA-MGPQQGTHSA-N 1 2 278.352 2.096 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000298341757 328295757 /nfs/dbraw/zinc/29/57/57/328295757.db2.gz DXOOEMBSFGOECA-MGPQQGTHSA-N 1 2 278.352 2.096 20 30 CEEDLO N#CCC[C@H](C#N)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305179998 328395748 /nfs/dbraw/zinc/39/57/48/328395748.db2.gz WBNWLHMIZOOBBA-PWSUYJOCSA-N 1 2 289.301 2.065 20 30 CEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000298890656 326924470 /nfs/dbraw/zinc/92/44/70/326924470.db2.gz VZWGJRNTMMTPQZ-UWVGGRQHSA-N 1 2 268.307 2.306 20 30 CEEDLO C#CC[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000298887495 326924615 /nfs/dbraw/zinc/92/46/15/326924615.db2.gz SYCGWKRMLHCGPI-SNVBAGLBSA-N 1 2 259.284 2.468 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000119693931 327248053 /nfs/dbraw/zinc/24/80/53/327248053.db2.gz BZCMUHIWSUFFFP-CZUORRHYSA-N 1 2 282.343 2.097 20 30 CEEDLO Cc1ccnc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc12 ZINC000570454788 327593088 /nfs/dbraw/zinc/59/30/88/327593088.db2.gz IAZLXWFGVNCIJY-QGZVFWFLSA-N 1 2 296.374 2.117 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000532556018 328789851 /nfs/dbraw/zinc/78/98/51/328789851.db2.gz TWEPBZCVCPWTCP-UHFFFAOYSA-N 1 2 290.411 2.308 20 30 CEEDLO CC#CCCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000368953427 328940977 /nfs/dbraw/zinc/94/09/77/328940977.db2.gz HNTNWTNXBSUJAK-CQSZACIVSA-N 1 2 273.380 2.320 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C)(O)CC2)c1C ZINC000177342147 329185653 /nfs/dbraw/zinc/18/56/53/329185653.db2.gz PCEACPQQSUXYBM-UHFFFAOYSA-N 1 2 290.407 2.320 20 30 CEEDLO C=C(C)CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000180411518 329216100 /nfs/dbraw/zinc/21/61/00/329216100.db2.gz ITFCAQCDNFGMAA-UHFFFAOYSA-N 1 2 272.352 2.094 20 30 CEEDLO C#CCC(C)(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000185340730 329270883 /nfs/dbraw/zinc/27/08/83/329270883.db2.gz WSEHLMAXEJLOJQ-UHFFFAOYSA-N 1 2 285.391 2.216 20 30 CEEDLO CC(C)CCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582907324 329286647 /nfs/dbraw/zinc/28/66/47/329286647.db2.gz AQEHXEKQFIVIDI-CQSZACIVSA-N 1 2 253.390 2.163 20 30 CEEDLO CC#CCCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000185877171 329334011 /nfs/dbraw/zinc/33/40/11/329334011.db2.gz PMWKEKWMGJDIFE-OAHLLOKOSA-N 1 2 287.407 2.395 20 30 CEEDLO CC#CCCCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000185877192 329334093 /nfs/dbraw/zinc/33/40/93/329334093.db2.gz PMWKEKWMGJDIFE-HNNXBMFYSA-N 1 2 287.407 2.395 20 30 CEEDLO C=CCC[C@H]1NC(=O)N(Cc2cn3cc(C)ccc3[nH+]2)C1=O ZINC000419932289 329749817 /nfs/dbraw/zinc/74/98/17/329749817.db2.gz DNLCNVOECZBFIR-CYBMUJFWSA-N 1 2 298.346 2.029 20 30 CEEDLO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)CC#N)cc1 ZINC000571816637 329922943 /nfs/dbraw/zinc/92/29/43/329922943.db2.gz AAKSHCDBDARMRB-GFCCVEGCSA-N 1 2 275.352 2.306 20 30 CEEDLO C=CCOc1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263027471 330039521 /nfs/dbraw/zinc/03/95/21/330039521.db2.gz RPDSAXDEZQACFO-LBPRGKRZSA-N 1 2 282.290 2.187 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)C1CC1)C2 ZINC000527245956 330241658 /nfs/dbraw/zinc/24/16/58/330241658.db2.gz KSNVOZZMWOMSRJ-SMDDNHRTSA-N 1 2 286.379 2.056 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)C1CC1)CC2 ZINC000527245956 330241659 /nfs/dbraw/zinc/24/16/59/330241659.db2.gz KSNVOZZMWOMSRJ-SMDDNHRTSA-N 1 2 286.379 2.056 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527536148 330263769 /nfs/dbraw/zinc/26/37/69/330263769.db2.gz OWODFLDCRKSZLW-AWEZNQCLSA-N 1 2 261.369 2.478 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C2CC2)c1 ZINC000424135719 330270588 /nfs/dbraw/zinc/27/05/88/330270588.db2.gz MTVNICOBZKZKSE-OAHLLOKOSA-N 1 2 274.364 2.149 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C2CC2)c1 ZINC000424135719 330270589 /nfs/dbraw/zinc/27/05/89/330270589.db2.gz MTVNICOBZKZKSE-OAHLLOKOSA-N 1 2 274.364 2.149 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc(Cl)o2)nn1 ZINC000424176871 330317334 /nfs/dbraw/zinc/31/73/34/330317334.db2.gz YUUKZEZMZCBIJT-UHFFFAOYSA-N 1 2 252.705 2.000 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)nn1 ZINC000424176901 330317428 /nfs/dbraw/zinc/31/74/28/330317428.db2.gz YXWUCMKEVLBZKJ-FZMZJTMJSA-N 1 2 272.352 2.470 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)nn1 ZINC000424290723 330334748 /nfs/dbraw/zinc/33/47/48/330334748.db2.gz BZOXIRBSZGFWBZ-NSHDSACASA-N 1 2 288.351 2.029 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)nn1 ZINC000424299548 330336855 /nfs/dbraw/zinc/33/68/55/330336855.db2.gz VNROERBYYQETCS-LBPRGKRZSA-N 1 2 299.378 2.273 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C#N)CCCC1 ZINC000456350955 331190508 /nfs/dbraw/zinc/19/05/08/331190508.db2.gz AVAVRPQLTIFUSU-LLVKDONJSA-N 1 2 260.341 2.164 20 30 CEEDLO C=C(C)CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000459012137 331266401 /nfs/dbraw/zinc/26/64/01/331266401.db2.gz YBWYMFFVRBXARH-KGLIPLIRSA-N 1 2 276.384 2.442 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnnn1CC ZINC000459360549 331278177 /nfs/dbraw/zinc/27/81/77/331278177.db2.gz OUIBXRWMCMPHSW-UHFFFAOYSA-N 1 2 263.389 2.450 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnnn1CC ZINC000459360549 331278178 /nfs/dbraw/zinc/27/81/78/331278178.db2.gz OUIBXRWMCMPHSW-UHFFFAOYSA-N 1 2 263.389 2.450 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncccc1C(=O)OC ZINC000459414883 331280382 /nfs/dbraw/zinc/28/03/82/331280382.db2.gz ARFCOLFFZZRZMK-LBPRGKRZSA-N 1 2 260.337 2.409 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000459414883 331280383 /nfs/dbraw/zinc/28/03/83/331280383.db2.gz ARFCOLFFZZRZMK-LBPRGKRZSA-N 1 2 260.337 2.409 20 30 CEEDLO N#CCCN(C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000459466167 331283039 /nfs/dbraw/zinc/28/30/39/331283039.db2.gz OBXYMUJCTYXACS-GOEBONIOSA-N 1 2 296.374 2.215 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N(C)c1nccs1 ZINC000489431917 332051961 /nfs/dbraw/zinc/05/19/61/332051961.db2.gz QTTQDTIEQMYTMW-NSHDSACASA-N 1 2 265.382 2.146 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000489431917 332051963 /nfs/dbraw/zinc/05/19/63/332051963.db2.gz QTTQDTIEQMYTMW-NSHDSACASA-N 1 2 265.382 2.146 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)CCSC(C)C)n1 ZINC000491045825 332142689 /nfs/dbraw/zinc/14/26/89/332142689.db2.gz NDBLXLYZAOMOTE-UHFFFAOYSA-N 1 2 295.452 2.106 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSC(C)C)n1 ZINC000491045825 332142690 /nfs/dbraw/zinc/14/26/90/332142690.db2.gz NDBLXLYZAOMOTE-UHFFFAOYSA-N 1 2 295.452 2.106 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(O)c2)n1 ZINC000491360674 332196740 /nfs/dbraw/zinc/19/67/40/332196740.db2.gz HAKCBMDFKJESJU-UHFFFAOYSA-N 1 2 299.374 2.253 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(O)c2)n1 ZINC000491360674 332196741 /nfs/dbraw/zinc/19/67/41/332196741.db2.gz HAKCBMDFKJESJU-UHFFFAOYSA-N 1 2 299.374 2.253 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000491362376 332197160 /nfs/dbraw/zinc/19/71/60/332197160.db2.gz RTEGLSWJQSIADS-VIFPVBQESA-N 1 2 282.185 2.434 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000491362376 332197162 /nfs/dbraw/zinc/19/71/62/332197162.db2.gz RTEGLSWJQSIADS-VIFPVBQESA-N 1 2 282.185 2.434 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000491450718 332213027 /nfs/dbraw/zinc/21/30/27/332213027.db2.gz BSDXAVDPASVNHJ-UKRRQHHQSA-N 1 2 283.375 2.046 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000491450718 332213029 /nfs/dbraw/zinc/21/30/29/332213029.db2.gz BSDXAVDPASVNHJ-UKRRQHHQSA-N 1 2 283.375 2.046 20 30 CEEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000491635013 332256005 /nfs/dbraw/zinc/25/60/05/332256005.db2.gz RELWWHPPPHTBHN-AWEZNQCLSA-N 1 2 287.750 2.107 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000491637756 332258428 /nfs/dbraw/zinc/25/84/28/332258428.db2.gz YMSKURVDDUPPFV-GXTWGEPZSA-N 1 2 290.407 2.449 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000491637756 332258429 /nfs/dbraw/zinc/25/84/29/332258429.db2.gz YMSKURVDDUPPFV-GXTWGEPZSA-N 1 2 290.407 2.449 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000491671890 332278670 /nfs/dbraw/zinc/27/86/70/332278670.db2.gz QXTWWIDRGQRRCT-QMMMGPOBSA-N 1 2 274.393 2.344 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000491671890 332278672 /nfs/dbraw/zinc/27/86/72/332278672.db2.gz QXTWWIDRGQRRCT-QMMMGPOBSA-N 1 2 274.393 2.344 20 30 CEEDLO C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000491719327 332307689 /nfs/dbraw/zinc/30/76/89/332307689.db2.gz ZAHYUWSWUBPXFK-CMDGGOBGSA-N 1 2 257.337 2.217 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000491765952 332334443 /nfs/dbraw/zinc/33/44/43/332334443.db2.gz CSRQVVNIZZBKQO-ZDUSSCGKSA-N 1 2 298.390 2.398 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cn(C)nc1C)c1ccc(F)cc1 ZINC000491773394 332339589 /nfs/dbraw/zinc/33/95/89/332339589.db2.gz UXVNUGFCHJQOHZ-OAHLLOKOSA-N 1 2 257.312 2.332 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000491810633 332363422 /nfs/dbraw/zinc/36/34/22/332363422.db2.gz JPGQHBXJHZJLTA-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000491810633 332363423 /nfs/dbraw/zinc/36/34/23/332363423.db2.gz JPGQHBXJHZJLTA-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO COC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000575741522 335110790 /nfs/dbraw/zinc/11/07/90/335110790.db2.gz MMGAMYQRKRLJTN-HIFRSBDPSA-N 1 2 257.337 2.407 20 30 CEEDLO C[C@H]([NH2+]CC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495272206 332513627 /nfs/dbraw/zinc/51/36/27/332513627.db2.gz YBDZBZUAOGFPBK-RYUDHWBXSA-N 1 2 267.373 2.135 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC#N)C(C)(C)C1 ZINC000495715925 332527899 /nfs/dbraw/zinc/52/78/99/332527899.db2.gz IXOFBVQKGXKLPD-NSHDSACASA-N 1 2 267.373 2.135 20 30 CEEDLO C[C@@H](C#N)CN(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000521944572 333224998 /nfs/dbraw/zinc/22/49/98/333224998.db2.gz FLKYYRQVEIUHDT-NSHDSACASA-N 1 2 283.335 2.490 20 30 CEEDLO C#CC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000192231864 333232978 /nfs/dbraw/zinc/23/29/78/333232978.db2.gz WUZWUGIXIXQAOJ-UHFFFAOYSA-N 1 2 271.276 2.315 20 30 CEEDLO C#CC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000192231864 333232979 /nfs/dbraw/zinc/23/29/79/333232979.db2.gz WUZWUGIXIXQAOJ-UHFFFAOYSA-N 1 2 271.276 2.315 20 30 CEEDLO C=C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000575925924 335131936 /nfs/dbraw/zinc/13/19/36/335131936.db2.gz FHTXLNICCURQJC-RHSMWYFYSA-N 1 2 285.391 2.306 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000538572891 333606866 /nfs/dbraw/zinc/60/68/66/333606866.db2.gz OJLJAAHOOUYSDB-UHFFFAOYSA-N 1 2 280.331 2.237 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000576170329 335164479 /nfs/dbraw/zinc/16/44/79/335164479.db2.gz GRIIAFBHSADHEY-YGRLFVJLSA-N 1 2 286.310 2.108 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000576170329 335164481 /nfs/dbraw/zinc/16/44/81/335164481.db2.gz GRIIAFBHSADHEY-YGRLFVJLSA-N 1 2 286.310 2.108 20 30 CEEDLO N#CCc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547990982 334134023 /nfs/dbraw/zinc/13/40/23/334134023.db2.gz SOTIJXJVICZNOS-AWEZNQCLSA-N 1 2 295.346 2.086 20 30 CEEDLO Cc1nc(C(C)C)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566308615 334642076 /nfs/dbraw/zinc/64/20/76/334642076.db2.gz JNVKQTBVVLJBCU-CQSZACIVSA-N 1 2 294.424 2.149 20 30 CEEDLO Cc1[nH+]cccc1Cc1noc([C@]2(C#N)C[C@H]2C)n1 ZINC000351236812 335585933 /nfs/dbraw/zinc/58/59/33/335585933.db2.gz QCGRDZVTFCRDMI-OTYXRUKQSA-N 1 2 254.293 2.165 20 30 CEEDLO Cc1[nH+]cccc1Cc1noc([C@@]2(C#N)C[C@@H]2C)n1 ZINC000351236811 335585979 /nfs/dbraw/zinc/58/59/79/335585979.db2.gz QCGRDZVTFCRDMI-LKFCYVNXSA-N 1 2 254.293 2.165 20 30 CEEDLO N#C[C@@H]1C[N@H+](Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000581870234 336155089 /nfs/dbraw/zinc/15/50/89/336155089.db2.gz TXPQWGNFRAEJBT-ZBFHGGJFSA-N 1 2 264.332 2.216 20 30 CEEDLO N#C[C@@H]1C[N@@H+](Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000581870234 336155091 /nfs/dbraw/zinc/15/50/91/336155091.db2.gz TXPQWGNFRAEJBT-ZBFHGGJFSA-N 1 2 264.332 2.216 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC(C)(C)O1 ZINC000119516997 533958966 /nfs/dbraw/zinc/95/89/66/533958966.db2.gz NVEKDVZESAVYJS-LBPRGKRZSA-N 1 2 284.363 2.205 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC(C)(C)O1 ZINC000119516997 533958974 /nfs/dbraw/zinc/95/89/74/533958974.db2.gz NVEKDVZESAVYJS-LBPRGKRZSA-N 1 2 284.363 2.205 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c(C#N)c1C ZINC000336622700 534547020 /nfs/dbraw/zinc/54/70/20/534547020.db2.gz CDHBLDUEECEYOD-DTORHVGOSA-N 1 2 261.325 2.189 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c(C#N)c1C ZINC000336622700 534547022 /nfs/dbraw/zinc/54/70/22/534547022.db2.gz CDHBLDUEECEYOD-DTORHVGOSA-N 1 2 261.325 2.189 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(F)c(C#N)c1 ZINC000278747197 522804437 /nfs/dbraw/zinc/80/44/37/522804437.db2.gz FANHEARWYBGABA-UHFFFAOYSA-N 1 2 286.310 2.056 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@H](C)CC#N ZINC000352057284 534676158 /nfs/dbraw/zinc/67/61/58/534676158.db2.gz JNDGLLRBEXCLNW-GFCCVEGCSA-N 1 2 284.363 2.495 20 30 CEEDLO O=C(N[C@@H]1CCCSC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330271162 534760764 /nfs/dbraw/zinc/76/07/64/534760764.db2.gz VMIIPYNMZIUQSY-GFCCVEGCSA-N 1 2 294.424 2.399 20 30 CEEDLO O=C(N[C@@H]1CCCSC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330271162 534760771 /nfs/dbraw/zinc/76/07/71/534760771.db2.gz VMIIPYNMZIUQSY-GFCCVEGCSA-N 1 2 294.424 2.399 20 30 CEEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(Cl)cc1C#N ZINC000052857913 524358894 /nfs/dbraw/zinc/35/88/94/524358894.db2.gz HHWSNTQZNQAXFS-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)Nc1cc[nH+]cc1O ZINC000161502091 526193428 /nfs/dbraw/zinc/19/34/28/526193428.db2.gz AVZPZYDHDFGJNO-UHFFFAOYSA-N 1 2 253.261 2.220 20 30 CEEDLO C=CCN(CCc1ccco1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000352089865 526329355 /nfs/dbraw/zinc/32/93/55/526329355.db2.gz RLZWLKKHDQNOGL-UHFFFAOYSA-N 1 2 287.367 2.074 20 30 CEEDLO C=CCN(CCc1ccco1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000352089865 526329361 /nfs/dbraw/zinc/32/93/61/526329361.db2.gz RLZWLKKHDQNOGL-UHFFFAOYSA-N 1 2 287.367 2.074 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000350658285 527458149 /nfs/dbraw/zinc/45/81/49/527458149.db2.gz VJIAMMRKNJGYTC-NPCAHTBFSA-N 1 2 283.412 2.415 20 30 CEEDLO CC1([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330314680 528017451 /nfs/dbraw/zinc/01/74/51/528017451.db2.gz YBRFNOSVDGOYQV-LLVKDONJSA-N 1 2 262.357 2.034 20 30 CEEDLO CC1(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330314680 528017455 /nfs/dbraw/zinc/01/74/55/528017455.db2.gz YBRFNOSVDGOYQV-LLVKDONJSA-N 1 2 262.357 2.034 20 30 CEEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)C#N ZINC000354444521 528758664 /nfs/dbraw/zinc/75/86/64/528758664.db2.gz KOIJPROXLOCLTJ-GFCCVEGCSA-N 1 2 284.363 2.407 20 30 CEEDLO NC(=[NH+]OCc1ccno1)c1ccc(Cl)cc1 ZINC000727487415 574452338 /nfs/dbraw/zinc/45/23/38/574452338.db2.gz TYAJGLJIWNFYEC-UHFFFAOYSA-N 1 2 251.673 2.165 20 30 CEEDLO C=CCCOCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727492614 574452550 /nfs/dbraw/zinc/45/25/50/574452550.db2.gz ZJUQIKOOXXDCPB-CYBMUJFWSA-N 1 2 279.384 2.007 20 30 CEEDLO CN(C)c1ccc(C=[NH+]NC(=S)NC(C)(C)C)cc1F ZINC000727648486 574454245 /nfs/dbraw/zinc/45/42/45/574454245.db2.gz HCKBEOXTYYHXFU-UHFFFAOYSA-N 1 2 296.415 2.488 20 30 CEEDLO Oc1ccccc1/C=[NH+]\C[C@@H](O)Cc1ccccc1 ZINC000729148643 574480728 /nfs/dbraw/zinc/48/07/28/574480728.db2.gz CUGJBAZWPLILLH-ZCQLHAAUSA-N 1 2 255.317 2.415 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000730094410 574501090 /nfs/dbraw/zinc/50/10/90/574501090.db2.gz HASOOCIXODNFFR-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000730094410 574501091 /nfs/dbraw/zinc/50/10/91/574501091.db2.gz HASOOCIXODNFFR-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)c(F)c1 ZINC000730279410 574513213 /nfs/dbraw/zinc/51/32/13/574513213.db2.gz BRQHWBGZOPKTNM-AWEZNQCLSA-N 1 2 290.338 2.261 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)c(F)c1 ZINC000730279410 574513214 /nfs/dbraw/zinc/51/32/14/574513214.db2.gz BRQHWBGZOPKTNM-AWEZNQCLSA-N 1 2 290.338 2.261 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc2ccccc2o1 ZINC000730279012 574513336 /nfs/dbraw/zinc/51/33/36/574513336.db2.gz UBZOWAQFRSXGBM-HNNXBMFYSA-N 1 2 282.343 2.147 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc2ccccc2o1 ZINC000730279012 574513337 /nfs/dbraw/zinc/51/33/37/574513337.db2.gz UBZOWAQFRSXGBM-HNNXBMFYSA-N 1 2 282.343 2.147 20 30 CEEDLO CCOc1ccc(/C=[NH+]\C2CCN(CC#N)CC2)c(O)c1 ZINC000730434467 574519832 /nfs/dbraw/zinc/51/98/32/574519832.db2.gz NHQIKHIOLULZTE-PDGQHHTCSA-N 1 2 287.363 2.198 20 30 CEEDLO CCc1cc(N=NCc2[nH]cc[nH+]2)nc(-c2ccccn2)n1 ZINC000731153705 574590226 /nfs/dbraw/zinc/59/02/26/574590226.db2.gz ZLZYHVPJEZJHIX-UHFFFAOYSA-N 1 2 293.334 2.270 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1=S ZINC000732180600 574614012 /nfs/dbraw/zinc/61/40/12/574614012.db2.gz ARFOVJMVQYJVJX-LLVKDONJSA-N 1 2 291.380 2.035 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](c3ccco3)C2)c1=S ZINC000732180600 574614014 /nfs/dbraw/zinc/61/40/14/574614014.db2.gz ARFOVJMVQYJVJX-LLVKDONJSA-N 1 2 291.380 2.035 20 30 CEEDLO COc1cc([N+](=O)[O-])ccc1N=NCc1[nH+]c[nH]c1C ZINC000755674857 574746970 /nfs/dbraw/zinc/74/69/70/574746970.db2.gz MSPQEDFMRURWEA-UHFFFAOYSA-N 1 2 275.268 2.081 20 30 CEEDLO C=C(Cl)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000736397897 574785985 /nfs/dbraw/zinc/78/59/85/574785985.db2.gz KEMRBEWDUBPNHG-UHFFFAOYSA-N 1 2 299.827 2.328 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@@H+](CCC#N)CC(C)C)c1 ZINC000739914712 574936312 /nfs/dbraw/zinc/93/63/12/574936312.db2.gz NVLIJCJEWTXCPS-UHFFFAOYSA-N 1 2 287.407 2.483 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@H+](CCC#N)CC(C)C)c1 ZINC000739914712 574936313 /nfs/dbraw/zinc/93/63/13/574936313.db2.gz NVLIJCJEWTXCPS-UHFFFAOYSA-N 1 2 287.407 2.483 20 30 CEEDLO COC(=O)[C@@H](C/[NH+]=C/c1cccc(O)c1O)CC(C)C ZINC000741463883 574987776 /nfs/dbraw/zinc/98/77/76/574987776.db2.gz JDYXMFCLSVZVCP-GGNJANJASA-N 1 2 279.336 2.352 20 30 CEEDLO C#CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000743690623 575108574 /nfs/dbraw/zinc/10/85/74/575108574.db2.gz QZRWPQALAIMFAC-OAHLLOKOSA-N 1 2 296.374 2.222 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000743854766 575111211 /nfs/dbraw/zinc/11/12/11/575111211.db2.gz LTTHWFKOMSTNGO-IAGOWNOFSA-N 1 2 286.419 2.126 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000743854766 575111213 /nfs/dbraw/zinc/11/12/13/575111213.db2.gz LTTHWFKOMSTNGO-IAGOWNOFSA-N 1 2 286.419 2.126 20 30 CEEDLO CC(C)[N@H+](CC(=O)NCCC#N)Cc1ccccc1F ZINC000746134005 575149084 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ZINC000949925218 613712937 /nfs/dbraw/zinc/71/29/37/613712937.db2.gz WIGHFRCBGWMWFN-KGLIPLIRSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000948992333 613714047 /nfs/dbraw/zinc/71/40/47/613714047.db2.gz AUGUDZVWVXONHL-ZIFCJYIRSA-N 1 2 296.414 2.293 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000949185784 613714114 /nfs/dbraw/zinc/71/41/14/613714114.db2.gz YCVHMAUFKCTIKK-UHFFFAOYSA-N 1 2 283.375 2.420 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)cc(OC)c2C)CC1 ZINC000949108245 613714525 /nfs/dbraw/zinc/71/45/25/613714525.db2.gz CPKBQKHXOVVKOV-UHFFFAOYSA-N 1 2 288.391 2.256 20 30 CEEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000968606737 613731377 /nfs/dbraw/zinc/73/13/77/613731377.db2.gz JEBSQOFAVSDZJU-DOMZBBRYSA-N 1 2 298.390 2.189 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000968606737 613731378 /nfs/dbraw/zinc/73/13/78/613731378.db2.gz JEBSQOFAVSDZJU-DOMZBBRYSA-N 1 2 298.390 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SCLSMQASOZUEHB-AAEUAGOBSA-N 1 2 296.440 2.101 20 30 CEEDLO CCn1cc(CNc2cc(CC#N)cc[nH+]2)c(C)n1 ZINC000902066168 634459619 /nfs/dbraw/zinc/45/96/19/634459619.db2.gz CRMKQPRXPSGEQZ-UHFFFAOYSA-N 1 2 255.325 2.285 20 30 CEEDLO CCCCCCNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000178143684 625952134 /nfs/dbraw/zinc/95/21/34/625952134.db2.gz DTLZVOVDVFRYQQ-UHFFFAOYSA-N 1 2 291.395 2.214 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCC(=O)NC(C)C ZINC000820628874 634481608 /nfs/dbraw/zinc/48/16/08/634481608.db2.gz DGBOYCGRXOOHRB-UHFFFAOYSA-N 1 2 289.379 2.200 20 30 CEEDLO O=c1ccc2c([nH]1)CC/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000180317415 627310645 /nfs/dbraw/zinc/31/06/45/627310645.db2.gz RVHIWEWCYAIBDF-LUAWRHEFSA-N 1 2 291.310 2.235 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001006536100 627361997 /nfs/dbraw/zinc/36/19/97/627361997.db2.gz QKFVFJWCZGVXRX-KRWDZBQOSA-N 1 2 297.402 2.439 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001006536100 627361998 /nfs/dbraw/zinc/36/19/98/627361998.db2.gz QKFVFJWCZGVXRX-KRWDZBQOSA-N 1 2 297.402 2.439 20 30 CEEDLO C#CCCc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923882504 627668689 /nfs/dbraw/zinc/66/86/89/627668689.db2.gz HDRJSFLVMLKPKE-LBPRGKRZSA-N 1 2 258.325 2.467 20 30 CEEDLO Cc1cc(F)c(C#N)c(N2CC(n3cc[nH+]c3)C2)c1 ZINC000892899338 627838321 /nfs/dbraw/zinc/83/83/21/627838321.db2.gz KBUZDDHNQXCTES-UHFFFAOYSA-N 1 2 256.284 2.264 20 30 CEEDLO C=CCN1C(=O)/C(=C\c2ccc(N)[nH+]c2)SC1=S ZINC000821028625 634607761 /nfs/dbraw/zinc/60/77/61/634607761.db2.gz UYCZIWGKCZIQBQ-RMKNXTFCSA-N 1 2 277.374 2.051 20 30 CEEDLO C=C(Br)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000309590018 628172439 /nfs/dbraw/zinc/17/24/39/628172439.db2.gz UNHDNFRULBJGEA-LBPRGKRZSA-N 1 2 286.169 2.098 20 30 CEEDLO C=CCC1(C(=O)OCc2cc[nH+]c(N)c2)CCOCC1 ZINC000821151949 634642188 /nfs/dbraw/zinc/64/21/88/634642188.db2.gz PTYZKMTZLOXCDB-UHFFFAOYSA-N 1 2 276.336 2.080 20 30 CEEDLO Cc1cc(C#N)nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000893565921 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633404020 /nfs/dbraw/zinc/40/40/20/633404020.db2.gz BADNTPXUASGWRG-UHFFFAOYSA-N 1 2 251.688 2.253 20 30 CEEDLO COc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)on1 ZINC000901513385 634171089 /nfs/dbraw/zinc/17/10/89/634171089.db2.gz TULJLQVGGUHFLD-PLNGDYQASA-N 1 2 261.281 2.357 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1cccc2oc(C)nc21)C(=O)OC ZINC000901593253 634191601 /nfs/dbraw/zinc/19/16/01/634191601.db2.gz CXKLQTRWJNDOMH-CYBMUJFWSA-N 1 2 288.347 2.386 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC000901678042 634243435 /nfs/dbraw/zinc/24/34/35/634243435.db2.gz BPQAWUCWFVAMDZ-AWEZNQCLSA-N 1 2 289.379 2.059 20 30 CEEDLO COc1cc(C)nc(N=NCc2c[nH+]cn2C(C)C)n1 ZINC000819807561 634267831 /nfs/dbraw/zinc/26/78/31/634267831.db2.gz DDZROCPZPPUGRA-UHFFFAOYSA-N 1 2 274.328 2.017 20 30 CEEDLO C=C(Cl)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000820115962 634335776 /nfs/dbraw/zinc/33/57/76/634335776.db2.gz NLMBCEOJGYTWRE-LLVKDONJSA-N 1 2 255.749 2.339 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(C#N)ccn1 ZINC000902882085 634877245 /nfs/dbraw/zinc/87/72/45/634877245.db2.gz UCEUCADLARUZMO-ZWNOBZJWSA-N 1 2 267.336 2.405 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(C#N)ccn1 ZINC000902882085 634877249 /nfs/dbraw/zinc/87/72/49/634877249.db2.gz UCEUCADLARUZMO-ZWNOBZJWSA-N 1 2 267.336 2.405 20 30 CEEDLO C[C@H](NCc1nc(C#N)cs1)c1cn2c([nH+]1)CCCC2 ZINC000903262332 635035040 /nfs/dbraw/zinc/03/50/40/635035040.db2.gz DEDSNQZEXQAWTI-JTQLQIEISA-N 1 2 287.392 2.398 20 30 CEEDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000823943735 635310683 /nfs/dbraw/zinc/31/06/83/635310683.db2.gz MDYNWVOMCSCOEB-NSHDSACASA-N 1 2 269.352 2.329 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOc3ccc(N)cc3C2)o1 ZINC000903945099 635377519 /nfs/dbraw/zinc/37/75/19/635377519.db2.gz QGGRHMNMENTQEP-UHFFFAOYSA-N 1 2 269.304 2.128 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccc(N)cc3C2)o1 ZINC000903945099 635377522 /nfs/dbraw/zinc/37/75/22/635377522.db2.gz QGGRHMNMENTQEP-UHFFFAOYSA-N 1 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275.352 2.121 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000859156329 645393357 /nfs/dbraw/zinc/39/33/57/645393357.db2.gz OWBBDVFJTYOLFJ-UHFFFAOYSA-N 1 2 258.296 2.445 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000859156329 645393361 /nfs/dbraw/zinc/39/33/61/645393361.db2.gz OWBBDVFJTYOLFJ-UHFFFAOYSA-N 1 2 258.296 2.445 20 30 CEEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C#N)CCC#N ZINC000859529139 645509071 /nfs/dbraw/zinc/50/90/71/645509071.db2.gz LCOPGFMNINOWDA-CYBMUJFWSA-N 1 2 294.399 2.277 20 30 CEEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C#N)CCC#N ZINC000859529139 645509075 /nfs/dbraw/zinc/50/90/75/645509075.db2.gz LCOPGFMNINOWDA-CYBMUJFWSA-N 1 2 294.399 2.277 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCCC3(CC3)CC2)c1=S ZINC000863330714 646706005 /nfs/dbraw/zinc/70/60/05/646706005.db2.gz AAMPDIHIZDILBF-UHFFFAOYSA-N 1 2 279.413 2.219 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCCC3(CC3)CC2)c1=S ZINC000863330714 646706009 /nfs/dbraw/zinc/70/60/09/646706009.db2.gz 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Cc1nnc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000780001407 647380989 /nfs/dbraw/zinc/38/09/89/647380989.db2.gz SSKGWNBYRNPJNI-JTQLQIEISA-N 1 2 288.376 2.427 20 30 CEEDLO C#CCCCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000780471269 647432184 /nfs/dbraw/zinc/43/21/84/647432184.db2.gz JYHFBMUDTKQCGN-UHFFFAOYSA-N 1 2 272.348 2.255 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc(NCCC)[nH+]cn2)n1 ZINC000865736507 647445799 /nfs/dbraw/zinc/44/57/99/647445799.db2.gz HOLSYQQZJYBSCB-UHFFFAOYSA-N 1 2 298.394 2.155 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc(NCCC)nc[nH+]2)n1 ZINC000865736507 647445804 /nfs/dbraw/zinc/44/58/04/647445804.db2.gz HOLSYQQZJYBSCB-UHFFFAOYSA-N 1 2 298.394 2.155 20 30 CEEDLO Cc1ccnc(N[C@@H]2CCC[N@H+](CCF)C2)c1C#N ZINC000865928303 647539276 /nfs/dbraw/zinc/53/92/76/647539276.db2.gz WUAAKRHYHYGNOR-GFCCVEGCSA-N 1 2 262.332 2.108 20 30 CEEDLO Cc1ccnc(N[C@@H]2CCC[N@@H+](CCF)C2)c1C#N ZINC000865928303 647539280 /nfs/dbraw/zinc/53/92/80/647539280.db2.gz WUAAKRHYHYGNOR-GFCCVEGCSA-N 1 2 262.332 2.108 20 30 CEEDLO C=CCOCCCNc1cc(NCCC)[nH+]cn1 ZINC000865943706 647547402 /nfs/dbraw/zinc/54/74/02/647547402.db2.gz XASOKFSHAWTPLI-UHFFFAOYSA-N 1 2 250.346 2.303 20 30 CEEDLO C=CCOCCCNc1cc(NCCC)nc[nH+]1 ZINC000865943706 647547405 /nfs/dbraw/zinc/54/74/05/647547405.db2.gz XASOKFSHAWTPLI-UHFFFAOYSA-N 1 2 250.346 2.303 20 30 CEEDLO C[C@@H](CNC(=O)c1sccc1CC#N)Cn1cc[nH+]c1 ZINC000866001973 647568933 /nfs/dbraw/zinc/56/89/33/647568933.db2.gz KYKDWHZWIKLYIY-NSHDSACASA-N 1 2 288.376 2.077 20 30 CEEDLO N#C[C@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041198 647583504 /nfs/dbraw/zinc/58/35/04/647583504.db2.gz ICCVFPWXLIDBDN-KXBFYZLASA-N 1 2 295.430 2.464 20 30 CEEDLO N#C[C@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041198 647583506 /nfs/dbraw/zinc/58/35/06/647583506.db2.gz ICCVFPWXLIDBDN-KXBFYZLASA-N 1 2 295.430 2.464 20 30 CEEDLO NC(=[NH+]OCCOCC(F)(F)F)c1ccc(F)cc1 ZINC000782314734 647612695 /nfs/dbraw/zinc/61/26/95/647612695.db2.gz SMMNBDINGVOJGH-UHFFFAOYSA-N 1 2 280.221 2.042 20 30 CEEDLO CC(C)N(C)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866253173 647697287 /nfs/dbraw/zinc/69/72/87/647697287.db2.gz FUCGDTWOQBANGJ-GFCCVEGCSA-N 1 2 261.369 2.255 20 30 CEEDLO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866265904 647705190 /nfs/dbraw/zinc/70/51/90/647705190.db2.gz VDGZLIUUZMZFHX-IAQYHMDHSA-N 1 2 262.353 2.466 20 30 CEEDLO C[C@H]([NH2+]CCOc1cccnc1)c1cccc(C#N)c1O ZINC000866267046 647705785 /nfs/dbraw/zinc/70/57/85/647705785.db2.gz ZEDRMIXIMXJBSF-LBPRGKRZSA-N 1 2 283.331 2.388 20 30 CEEDLO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C[C@H](C)O ZINC000866269044 647707144 /nfs/dbraw/zinc/70/71/44/647707144.db2.gz AERWSVKXZYCKHK-GRYCIOLGSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269046 647707575 /nfs/dbraw/zinc/70/75/75/647707575.db2.gz AERWSVKXZYCKHK-SRVKXCTJSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(C#N)c1O ZINC000866280935 647715070 /nfs/dbraw/zinc/71/50/70/647715070.db2.gz FWEYGYXNZAZIOK-NHYWBVRUSA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1O)[S@@](C)=O ZINC000866305951 647728220 /nfs/dbraw/zinc/72/82/20/647728220.db2.gz OCHUGCUFPSOGBV-RMDKCXRXSA-N 1 2 280.393 2.072 20 30 CEEDLO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866364628 647757597 /nfs/dbraw/zinc/75/75/97/647757597.db2.gz RFHXJPTVBATLMK-QWRGUYRKSA-N 1 2 262.353 2.464 20 30 CEEDLO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(C#N)c1O ZINC000866366188 647758875 /nfs/dbraw/zinc/75/88/75/647758875.db2.gz YIIFAMNRSCEVAS-ABAIWWIYSA-N 1 2 274.364 2.466 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866367396 647759789 /nfs/dbraw/zinc/75/97/89/647759789.db2.gz JRIICVPKAXQHMP-HONMWMINSA-N 1 2 258.321 2.258 20 30 CEEDLO C[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc(C#N)c1O ZINC000866371351 647761203 /nfs/dbraw/zinc/76/12/03/647761203.db2.gz KCNCXMFFNABEGW-GWCFXTLKSA-N 1 2 260.337 2.339 20 30 CEEDLO CC1N=NC(=S)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783800535 647765587 /nfs/dbraw/zinc/76/55/87/647765587.db2.gz USRYCYIZFVZSQI-UHFFFAOYSA-N 1 2 290.377 2.005 20 30 CEEDLO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(C#N)c1O ZINC000866447609 647790946 /nfs/dbraw/zinc/79/09/46/647790946.db2.gz LHXANZWODDSYGX-DEKYYXRVSA-N 1 2 260.337 2.480 20 30 CEEDLO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866634525 647849592 /nfs/dbraw/zinc/84/95/92/647849592.db2.gz RZLXHOIFFKFKAH-DMDPSCGWSA-N 1 2 262.353 2.464 20 30 CEEDLO C#CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000788250725 648165780 /nfs/dbraw/zinc/16/57/80/648165780.db2.gz UNMRDHSLBQBBLC-CQSZACIVSA-N 1 2 285.391 2.288 20 30 CEEDLO C#CCOc1ccc(C[NH2+]Cc2ncc(C)o2)cc1 ZINC000788436041 648183580 /nfs/dbraw/zinc/18/35/80/648183580.db2.gz RIHSNFVSKHHKJG-UHFFFAOYSA-N 1 2 256.305 2.285 20 30 CEEDLO Cc1ccc2c(c1)CC[N@@H+](Cn1cccc(C#N)c1=O)C2 ZINC000790445667 648417967 /nfs/dbraw/zinc/41/79/67/648417967.db2.gz CJDQMNUEJAJUDJ-UHFFFAOYSA-N 1 2 279.343 2.044 20 30 CEEDLO Cc1ccc2c(c1)CC[N@H+](Cn1cccc(C#N)c1=O)C2 ZINC000790445667 648417968 /nfs/dbraw/zinc/41/79/68/648417968.db2.gz CJDQMNUEJAJUDJ-UHFFFAOYSA-N 1 2 279.343 2.044 20 30 CEEDLO C=CC[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000794619565 648894345 /nfs/dbraw/zinc/89/43/45/648894345.db2.gz ARWXXHKRRSWDHB-UHFFFAOYSA-N 1 2 291.307 2.357 20 30 CEEDLO C=CC[N@@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C(C)C ZINC000794619565 648894347 /nfs/dbraw/zinc/89/43/47/648894347.db2.gz ARWXXHKRRSWDHB-UHFFFAOYSA-N 1 2 291.307 2.357 20 30 CEEDLO CC[C@@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794631436 648894831 /nfs/dbraw/zinc/89/48/31/648894831.db2.gz DHEBKJIUXYMAAE-GFCCVEGCSA-N 1 2 293.440 2.487 20 30 CEEDLO CC[C@@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794631436 648894835 /nfs/dbraw/zinc/89/48/35/648894835.db2.gz DHEBKJIUXYMAAE-GFCCVEGCSA-N 1 2 293.440 2.487 20 30 CEEDLO C[C@@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC(C)(C)C1 ZINC000794638259 648896402 /nfs/dbraw/zinc/89/64/02/648896402.db2.gz CBCYPTGZHQQTGL-NSHDSACASA-N 1 2 293.440 2.343 20 30 CEEDLO C[C@@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC(C)(C)C1 ZINC000794638259 648896404 /nfs/dbraw/zinc/89/64/04/648896404.db2.gz CBCYPTGZHQQTGL-NSHDSACASA-N 1 2 293.440 2.343 20 30 CEEDLO C[C@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000871722837 649157199 /nfs/dbraw/zinc/15/71/99/649157199.db2.gz SCZOBNNZQISCKT-MWLCHTKSSA-N 1 2 268.744 2.402 20 30 CEEDLO CCCC[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(=O)OC ZINC000871928758 649218577 /nfs/dbraw/zinc/21/85/77/649218577.db2.gz KOGHHCBKSIBBJW-JKSUJKDBSA-N 1 2 286.375 2.347 20 30 CEEDLO CC(C)(C)[C@@H]1CC(=NNCCCn2cc[nH+]c2)CCO1 ZINC000872387450 649376793 /nfs/dbraw/zinc/37/67/93/649376793.db2.gz QWUIGKQMRVAGOG-AWEZNQCLSA-N 1 2 278.400 2.444 20 30 CEEDLO C[NH+](C)[C@@H](C(=O)OCc1ccc(C#N)o1)c1ccccc1 ZINC000873375844 649656923 /nfs/dbraw/zinc/65/69/23/649656923.db2.gz KXQGHAFIDDZNOM-OAHLLOKOSA-N 1 2 284.315 2.497 20 30 CEEDLO C=CC[C@H]([NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1)C(=O)OC ZINC000878598152 651137476 /nfs/dbraw/zinc/13/74/76/651137476.db2.gz YDBIJZBYIXCTSN-XHSDSOJGSA-N 1 2 291.391 2.452 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC)ccc1OC ZINC000878699386 651167703 /nfs/dbraw/zinc/16/77/03/651167703.db2.gz QURCPBHOVKVLHD-CYBMUJFWSA-N 1 2 276.336 2.264 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000878770914 651182408 /nfs/dbraw/zinc/18/24/08/651182408.db2.gz XXUYYVFDYAUXHB-OLZOCXBDSA-N 1 2 267.369 2.138 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000878770914 651182410 /nfs/dbraw/zinc/18/24/10/651182410.db2.gz XXUYYVFDYAUXHB-OLZOCXBDSA-N 1 2 267.369 2.138 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000878774514 651183473 /nfs/dbraw/zinc/18/34/73/651183473.db2.gz RTJZTQGRTBVOPG-CQSZACIVSA-N 1 2 256.309 2.258 20 30 CEEDLO COc1ccc(F)cc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878774607 651183527 /nfs/dbraw/zinc/18/35/27/651183527.db2.gz CDOHYPVMKWUJFK-CHWSQXEVSA-N 1 2 291.370 2.252 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000879448881 651305433 /nfs/dbraw/zinc/30/54/33/651305433.db2.gz FCNPJTZZRZDYGD-CQSZACIVSA-N 1 2 256.309 2.258 20 30 CEEDLO COc1ccc([C@H]2C[N@H+](CCCC#N)CCO2)cc1 ZINC000879630688 651333640 /nfs/dbraw/zinc/33/36/40/651333640.db2.gz GEMSZWJTAKUIDI-OAHLLOKOSA-N 1 2 260.337 2.372 20 30 CEEDLO COc1ccc([C@H]2C[N@@H+](CCCC#N)CCO2)cc1 ZINC000879630688 651333641 /nfs/dbraw/zinc/33/36/41/651333641.db2.gz GEMSZWJTAKUIDI-OAHLLOKOSA-N 1 2 260.337 2.372 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880297952 651418865 /nfs/dbraw/zinc/41/88/65/651418865.db2.gz VMCJJRQMBDLOAP-JSGCOSHPSA-N 1 2 276.311 2.064 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CF)C1 ZINC000880297952 651418867 /nfs/dbraw/zinc/41/88/67/651418867.db2.gz VMCJJRQMBDLOAP-JSGCOSHPSA-N 1 2 276.311 2.064 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880314863 651423340 /nfs/dbraw/zinc/42/33/40/651423340.db2.gz TUNDRQRGOAJFRQ-NWDGAFQWSA-N 1 2 260.366 2.376 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880314863 651423341 /nfs/dbraw/zinc/42/33/41/651423341.db2.gz TUNDRQRGOAJFRQ-NWDGAFQWSA-N 1 2 260.366 2.376 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000880484004 651448635 /nfs/dbraw/zinc/44/86/35/651448635.db2.gz NZAZGARVXGHULW-UHFFFAOYSA-N 1 2 272.323 2.048 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)nc(C)n2)c1C ZINC000881866241 651903501 /nfs/dbraw/zinc/90/35/01/651903501.db2.gz JXKRNKDWLHJFIY-UHFFFAOYSA-N 1 2 297.362 2.314 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882313158 652032096 /nfs/dbraw/zinc/03/20/96/652032096.db2.gz YXUYPJKZVAASCW-KRWDZBQOSA-N 1 2 293.370 2.472 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882313158 652032102 /nfs/dbraw/zinc/03/21/02/652032102.db2.gz YXUYPJKZVAASCW-KRWDZBQOSA-N 1 2 293.370 2.472 20 30 CEEDLO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000883392297 652453182 /nfs/dbraw/zinc/45/31/82/652453182.db2.gz DYKOJKFOWJMWJC-AAEUAGOBSA-N 1 2 260.337 2.242 20 30 CEEDLO C=CC[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC001165032139 721870576 /nfs/dbraw/zinc/87/05/76/721870576.db2.gz JECNOHFXFZGKLY-UHFFFAOYSA-N 1 2 282.391 2.140 20 30 CEEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(N)c1 ZINC001213349625 802863875 /nfs/dbraw/zinc/86/38/75/802863875.db2.gz HYSDRNPPGKNTFV-UHFFFAOYSA-N 1 2 295.346 2.116 20 30 CEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001111489628 802929617 /nfs/dbraw/zinc/92/96/17/802929617.db2.gz GKDJTVKTFSOGLZ-DGAVXFQQSA-N 1 2 298.814 2.052 20 30 CEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001111489628 802929621 /nfs/dbraw/zinc/92/96/21/802929621.db2.gz GKDJTVKTFSOGLZ-DGAVXFQQSA-N 1 2 298.814 2.052 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724076870 803028060 /nfs/dbraw/zinc/02/80/60/803028060.db2.gz FTTRGISLWLAENP-SFYZADRCSA-N 1 2 274.233 2.026 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724076870 803028065 /nfs/dbraw/zinc/02/80/65/803028065.db2.gz FTTRGISLWLAENP-SFYZADRCSA-N 1 2 274.233 2.026 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cscc1C(F)F ZINC001038270704 803348008 /nfs/dbraw/zinc/34/80/08/803348008.db2.gz UXCNWOLHXSPATD-SECBINFHSA-N 1 2 284.331 2.123 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cscc1C(F)F ZINC001038270704 803348011 /nfs/dbraw/zinc/34/80/11/803348011.db2.gz UXCNWOLHXSPATD-SECBINFHSA-N 1 2 284.331 2.123 20 30 CEEDLO O=C(C#CC1CC1)NC1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001267645242 803640364 /nfs/dbraw/zinc/64/03/64/803640364.db2.gz QPOAXNKAWSKFTH-UHFFFAOYSA-N 1 2 294.398 2.278 20 30 CEEDLO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](F)CC ZINC001267707132 803668645 /nfs/dbraw/zinc/66/86/45/803668645.db2.gz MOOROVWOOVLBCK-ILXRZTDVSA-N 1 2 298.402 2.002 20 30 CEEDLO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](F)CC ZINC001267707132 803668648 /nfs/dbraw/zinc/66/86/48/803668648.db2.gz MOOROVWOOVLBCK-ILXRZTDVSA-N 1 2 298.402 2.002 20 30 CEEDLO CC#CCCCC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104767397 803685787 /nfs/dbraw/zinc/68/57/87/803685787.db2.gz HFYCPEXHNWCAEO-ZDUSSCGKSA-N 1 2 288.395 2.237 20 30 CEEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001267748304 803703942 /nfs/dbraw/zinc/70/39/42/803703942.db2.gz UVRASELEKTYSON-CQSZACIVSA-N 1 2 291.395 2.338 20 30 CEEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001267748304 803703944 /nfs/dbraw/zinc/70/39/44/803703944.db2.gz UVRASELEKTYSON-CQSZACIVSA-N 1 2 291.395 2.338 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCCC#CC)C1 ZINC001267770031 803722859 /nfs/dbraw/zinc/72/28/59/803722859.db2.gz FPCCCVALJMNCGL-AWEZNQCLSA-N 1 2 282.815 2.465 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC#CC)C1 ZINC001267770031 803722861 /nfs/dbraw/zinc/72/28/61/803722861.db2.gz FPCCCVALJMNCGL-AWEZNQCLSA-N 1 2 282.815 2.465 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027419091 804067561 /nfs/dbraw/zinc/06/75/61/804067561.db2.gz GIAUZLVUTZRNNC-WDEREUQCSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027419091 804067574 /nfs/dbraw/zinc/06/75/74/804067574.db2.gz GIAUZLVUTZRNNC-WDEREUQCSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027419091 804067584 /nfs/dbraw/zinc/06/75/84/804067584.db2.gz GIAUZLVUTZRNNC-WDEREUQCSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027419091 804067595 /nfs/dbraw/zinc/06/75/95/804067595.db2.gz GIAUZLVUTZRNNC-WDEREUQCSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001027851382 804299079 /nfs/dbraw/zinc/29/90/79/804299079.db2.gz MYKFDISYCZOGDB-NSHDSACASA-N 1 2 299.827 2.398 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001027851382 804299086 /nfs/dbraw/zinc/29/90/86/804299086.db2.gz MYKFDISYCZOGDB-NSHDSACASA-N 1 2 299.827 2.398 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001027856678 804301754 /nfs/dbraw/zinc/30/17/54/804301754.db2.gz SKIFBORUULXHGU-LBPRGKRZSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001027856678 804301765 /nfs/dbraw/zinc/30/17/65/804301765.db2.gz SKIFBORUULXHGU-LBPRGKRZSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001268726671 804946882 /nfs/dbraw/zinc/94/68/82/804946882.db2.gz ZCXYVMVXQVXASF-MNOVXSKESA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001268726671 804946885 /nfs/dbraw/zinc/94/68/85/804946885.db2.gz ZCXYVMVXQVXASF-MNOVXSKESA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001269135002 805058753 /nfs/dbraw/zinc/05/87/53/805058753.db2.gz WTTFLJMWNFRTHW-CYBMUJFWSA-N 1 2 293.436 2.498 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001269135002 805058763 /nfs/dbraw/zinc/05/87/63/805058763.db2.gz WTTFLJMWNFRTHW-CYBMUJFWSA-N 1 2 293.436 2.498 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1conc1CC ZINC001269271730 805108166 /nfs/dbraw/zinc/10/81/66/805108166.db2.gz CQMHVIWJLMDMBR-ZDUSSCGKSA-N 1 2 291.395 2.140 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1conc1CC ZINC001269271730 805108170 /nfs/dbraw/zinc/10/81/70/805108170.db2.gz CQMHVIWJLMDMBR-ZDUSSCGKSA-N 1 2 291.395 2.140 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001269336428 805133401 /nfs/dbraw/zinc/13/34/01/805133401.db2.gz BYLCDWSLRKFWMD-OAHLLOKOSA-N 1 2 296.370 2.107 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001269336428 805133405 /nfs/dbraw/zinc/13/34/05/805133405.db2.gz BYLCDWSLRKFWMD-OAHLLOKOSA-N 1 2 296.370 2.107 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)COc2cc(C)ccc2C)C1 ZINC001269886870 805278520 /nfs/dbraw/zinc/27/85/20/805278520.db2.gz OMKPBQLMMBFEFH-UHFFFAOYSA-N 1 2 288.391 2.011 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001030348479 807149360 /nfs/dbraw/zinc/14/93/60/807149360.db2.gz LBJHICQHBWGEJF-UHFFFAOYSA-N 1 2 288.391 2.302 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC001030355597 807152864 /nfs/dbraw/zinc/15/28/64/807152864.db2.gz FXHHSUBUDQIQQP-OLZOCXBDSA-N 1 2 250.386 2.189 20 30 CEEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030542297 807227519 /nfs/dbraw/zinc/22/75/19/807227519.db2.gz WVUMHDQJTLMTFL-UHFFFAOYSA-N 1 2 292.354 2.025 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001030569581 807234957 /nfs/dbraw/zinc/23/49/57/807234957.db2.gz LGARFBRHRRDORW-HIFRSBDPSA-N 1 2 262.397 2.027 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001030734289 807350894 /nfs/dbraw/zinc/35/08/94/807350894.db2.gz CGKUJPQDCMMQCI-UHFFFAOYSA-N 1 2 282.387 2.310 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001030867490 807443999 /nfs/dbraw/zinc/44/39/99/807443999.db2.gz WABIVYSURBEDES-TZMCWYRMSA-N 1 2 250.386 2.189 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001030889166 807461422 /nfs/dbraw/zinc/46/14/22/807461422.db2.gz 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C#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC001212692198 815557613 /nfs/dbraw/zinc/55/76/13/815557613.db2.gz GUXCWJHGCIIPDC-UHFFFAOYSA-N 1 2 274.327 2.473 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132667276 812921961 /nfs/dbraw/zinc/92/19/61/812921961.db2.gz IOBUEQSXHNIQMN-GFCCVEGCSA-N 1 2 279.384 2.045 20 30 CEEDLO C=CCCCC(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001133157568 813001177 /nfs/dbraw/zinc/00/11/77/813001177.db2.gz LUIVHTHVCALPIL-LLVKDONJSA-N 1 2 292.383 2.070 20 30 CEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[C@H]1C ZINC001071924188 813513074 /nfs/dbraw/zinc/51/30/74/813513074.db2.gz SYYOCMWUQKPIOK-OLZOCXBDSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[C@H]1C ZINC001071924188 813513078 /nfs/dbraw/zinc/51/30/78/813513078.db2.gz SYYOCMWUQKPIOK-OLZOCXBDSA-N 1 2 298.390 2.332 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001074166446 813811051 /nfs/dbraw/zinc/81/10/51/813811051.db2.gz 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C=CCn1cnn(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC001116247060 814841737 /nfs/dbraw/zinc/84/17/37/814841737.db2.gz LGXKJOBGHNCADV-QWHCGFSZSA-N 1 2 294.424 2.058 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCC2)C(=O)OCC ZINC001116911558 814891906 /nfs/dbraw/zinc/89/19/06/814891906.db2.gz SKKHPOYTZAZWMM-MELADBBJSA-N 1 2 281.396 2.432 20 30 CEEDLO CC(=O)Oc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001138046385 815723734 /nfs/dbraw/zinc/72/37/34/815723734.db2.gz JYAODTKZSOJQQO-OAHLLOKOSA-N 1 2 258.321 2.347 20 30 CEEDLO CC(=O)Oc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001138046385 815723737 /nfs/dbraw/zinc/72/37/37/815723737.db2.gz JYAODTKZSOJQQO-OAHLLOKOSA-N 1 2 258.321 2.347 20 30 CEEDLO CCCC[N@H+](CCC#N)Cc1cc(C(=O)OC)n(C)c1 ZINC001139373083 816014777 /nfs/dbraw/zinc/01/47/77/816014777.db2.gz ZHNIBKCQMDOSLM-UHFFFAOYSA-N 1 2 277.368 2.327 20 30 CEEDLO CCCC[N@@H+](CCC#N)Cc1cc(C(=O)OC)n(C)c1 ZINC001139373083 816014784 /nfs/dbraw/zinc/01/47/84/816014784.db2.gz ZHNIBKCQMDOSLM-UHFFFAOYSA-N 1 2 277.368 2.327 20 30 CEEDLO C=C(C)Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001174789484 816082155 /nfs/dbraw/zinc/08/21/55/816082155.db2.gz LGCJIAIEMFYDSM-UHFFFAOYSA-N 1 2 262.353 2.343 20 30 CEEDLO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)C(=O)OC ZINC001139728902 816097212 /nfs/dbraw/zinc/09/72/12/816097212.db2.gz KOHIOXZJULNNOC-LBPRGKRZSA-N 1 2 260.337 2.250 20 30 CEEDLO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)C(=O)OC ZINC001139728902 816097219 /nfs/dbraw/zinc/09/72/19/816097219.db2.gz KOHIOXZJULNNOC-LBPRGKRZSA-N 1 2 260.337 2.250 20 30 CEEDLO C=CCn1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cn1 ZINC001139766618 816110881 /nfs/dbraw/zinc/11/08/81/816110881.db2.gz RGSVNEOJSSXNAL-HUUCEWRRSA-N 1 2 273.380 2.403 20 30 CEEDLO C=CCn1cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cn1 ZINC001139766618 816110885 /nfs/dbraw/zinc/11/08/85/816110885.db2.gz RGSVNEOJSSXNAL-HUUCEWRRSA-N 1 2 273.380 2.403 20 30 CEEDLO Cc1ncc(C[N@@H+](C)Cc2cc(F)cc(C#N)c2)cn1 ZINC001139876164 816133722 /nfs/dbraw/zinc/13/37/22/816133722.db2.gz NRYNRCGULUKUFN-UHFFFAOYSA-N 1 2 270.311 2.428 20 30 CEEDLO Cc1ncc(C[N@H+](C)Cc2cc(F)cc(C#N)c2)cn1 ZINC001139876164 816133724 /nfs/dbraw/zinc/13/37/24/816133724.db2.gz NRYNRCGULUKUFN-UHFFFAOYSA-N 1 2 270.311 2.428 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139930886 816143056 /nfs/dbraw/zinc/14/30/56/816143056.db2.gz HQLQCTCDRDLLED-CYBMUJFWSA-N 1 2 260.362 2.164 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139930886 816143060 /nfs/dbraw/zinc/14/30/60/816143060.db2.gz HQLQCTCDRDLLED-CYBMUJFWSA-N 1 2 260.362 2.164 20 30 CEEDLO C#CC[N@@H+](C)Cc1cnc(-c2ccccc2F)nc1 ZINC001140400230 816250221 /nfs/dbraw/zinc/25/02/21/816250221.db2.gz RPNIHZHOFRCCBJ-UHFFFAOYSA-N 1 2 255.296 2.348 20 30 CEEDLO C#CC[N@H+](C)Cc1cnc(-c2ccccc2F)nc1 ZINC001140400230 816250225 /nfs/dbraw/zinc/25/02/25/816250225.db2.gz RPNIHZHOFRCCBJ-UHFFFAOYSA-N 1 2 255.296 2.348 20 30 CEEDLO C=CCN1CC[NH+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141023429 816448973 /nfs/dbraw/zinc/44/89/73/816448973.db2.gz KZYLLAGKSYOALV-UHFFFAOYSA-N 1 2 283.375 2.244 20 30 CEEDLO C#Cc1cc(Nc2cc(OCC)ncc2F)cc[nH+]1 ZINC001176600291 816450393 /nfs/dbraw/zinc/45/03/93/816450393.db2.gz DFKLTIJULMVIIZ-UHFFFAOYSA-N 1 2 257.268 2.161 20 30 CEEDLO N#Cc1cncc(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176750030 816466023 /nfs/dbraw/zinc/46/60/23/816466023.db2.gz MSDHDQSXMFVBFK-UHFFFAOYSA-N 1 2 266.308 2.087 20 30 CEEDLO CC(C)(S)CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176970905 816501225 /nfs/dbraw/zinc/50/12/25/816501225.db2.gz PDRCOKFKXAQRFK-GFCCVEGCSA-N 1 2 293.436 2.123 20 30 CEEDLO C=CC[NH+]1CCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC001141762075 816584692 /nfs/dbraw/zinc/58/46/92/816584692.db2.gz FQEVIBNQPWYYET-UHFFFAOYSA-N 1 2 291.342 2.466 20 30 CEEDLO C[C@@H](C#N)N(C)C(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142368426 816664887 /nfs/dbraw/zinc/66/48/87/816664887.db2.gz NIGNJPGYKXRDSC-NPQIQWPPSA-N 1 2 294.358 2.315 20 30 CEEDLO CNc1nc(Cl)ncc1C[NH+]1CCC(S)CC1 ZINC001142491432 816675672 /nfs/dbraw/zinc/67/56/72/816675672.db2.gz OUNZUIGBTUGJMQ-UHFFFAOYSA-N 1 2 272.805 2.066 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CC[C@@H]1O ZINC001143165044 816795756 /nfs/dbraw/zinc/79/57/56/816795756.db2.gz STRJVLWJUFRKLU-RNCFNFMXSA-N 1 2 266.291 2.039 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CC[C@@H]1O ZINC001143165044 816795763 /nfs/dbraw/zinc/79/57/63/816795763.db2.gz STRJVLWJUFRKLU-RNCFNFMXSA-N 1 2 266.291 2.039 20 30 CEEDLO CC1(O)CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164466 816796291 /nfs/dbraw/zinc/79/62/91/816796291.db2.gz ISZJUPVIYCWBCE-UHFFFAOYSA-N 1 2 266.291 2.183 20 30 CEEDLO COC[C@H]1CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165058 816796321 /nfs/dbraw/zinc/79/63/21/816796321.db2.gz TVBDITSUNSBNGY-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO COC[C@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165058 816796325 /nfs/dbraw/zinc/79/63/25/816796325.db2.gz TVBDITSUNSBNGY-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC000336550674 365633190 /nfs/dbraw/zinc/63/31/90/365633190.db2.gz KACXXYQZRFVJJW-RYUDHWBXSA-N 1 2 260.341 2.116 20 30 CEEDLO Cc1cc(=O)oc2cc(OCC[N@@H+](C)CCC#N)ccc12 ZINC000083218323 178358012 /nfs/dbraw/zinc/35/80/12/178358012.db2.gz ZZRDOZHRWNBGTR-UHFFFAOYSA-N 1 2 286.331 2.326 20 30 CEEDLO Cc1cc(=O)oc2cc(OCC[N@H+](C)CCC#N)ccc12 ZINC000083218323 178358014 /nfs/dbraw/zinc/35/80/14/178358014.db2.gz ZZRDOZHRWNBGTR-UHFFFAOYSA-N 1 2 286.331 2.326 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)c2[nH+]ccn21 ZINC000601618063 346862501 /nfs/dbraw/zinc/86/25/01/346862501.db2.gz XAAIOKUXGAMLGA-GHMZBOCLSA-N 1 2 270.336 2.089 20 30 CEEDLO N#Cc1cnn(Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000337944995 214325194 /nfs/dbraw/zinc/32/51/94/214325194.db2.gz TXEJJHNGHBEPGJ-UHFFFAOYSA-N 1 2 263.304 2.048 20 30 CEEDLO N#CCCCC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601654157 346870691 /nfs/dbraw/zinc/87/06/91/346870691.db2.gz OUORLURSZIIBEY-UHFFFAOYSA-N 1 2 268.320 2.387 20 30 CEEDLO C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000125675272 187195285 /nfs/dbraw/zinc/19/52/85/187195285.db2.gz FSFWOABMMBBBBS-CZUORRHYSA-N 1 2 294.358 2.478 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000601710102 346884464 /nfs/dbraw/zinc/88/44/64/346884464.db2.gz IDOJTEMWOFPAMP-NSHDSACASA-N 1 2 284.294 2.095 20 30 CEEDLO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cccc3cccnc32)C1 ZINC000329100483 539220345 /nfs/dbraw/zinc/22/03/45/539220345.db2.gz ZLMAZYKEDBTKFK-OAHLLOKOSA-N 1 2 299.374 2.064 20 30 CEEDLO C[N@H+]1CCO[C@H](CNC(=O)Cc2cccc3cccnc32)C1 ZINC000329100483 539220346 /nfs/dbraw/zinc/22/03/46/539220346.db2.gz ZLMAZYKEDBTKFK-OAHLLOKOSA-N 1 2 299.374 2.064 20 30 CEEDLO COCC#CC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000677817284 539269013 /nfs/dbraw/zinc/26/90/13/539269013.db2.gz JSUCWKIHHYOUDG-BBRMVZONSA-N 1 2 277.339 2.237 20 30 CEEDLO COCC#CC[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000677817284 539269015 /nfs/dbraw/zinc/26/90/15/539269015.db2.gz JSUCWKIHHYOUDG-BBRMVZONSA-N 1 2 277.339 2.237 20 30 CEEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000042324916 362082644 /nfs/dbraw/zinc/08/26/44/362082644.db2.gz BFJMBJAVRWBTAU-SNVBAGLBSA-N 1 2 263.297 2.195 20 30 CEEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000042324916 362082650 /nfs/dbraw/zinc/08/26/50/362082650.db2.gz BFJMBJAVRWBTAU-SNVBAGLBSA-N 1 2 263.297 2.195 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000042357210 362086409 /nfs/dbraw/zinc/08/64/09/362086409.db2.gz LNSHUOBQKCLXST-NSHDSACASA-N 1 2 292.408 2.048 20 30 CEEDLO C[N@@H+](Cc1cscn1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000042865326 362126014 /nfs/dbraw/zinc/12/60/14/362126014.db2.gz LDIADNARQXDOGT-CQSZACIVSA-N 1 2 273.361 2.180 20 30 CEEDLO C[N@H+](Cc1cscn1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000042865326 362126018 /nfs/dbraw/zinc/12/60/18/362126018.db2.gz LDIADNARQXDOGT-CQSZACIVSA-N 1 2 273.361 2.180 20 30 CEEDLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000007017722 343357826 /nfs/dbraw/zinc/35/78/26/343357826.db2.gz 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/nfs/dbraw/zinc/94/23/49/346942349.db2.gz AJERIGAQDOTSBZ-NSHDSACASA-N 1 2 270.336 2.054 20 30 CEEDLO CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043545408 343465197 /nfs/dbraw/zinc/46/51/97/343465197.db2.gz MWCZEAGYMUDNSC-UHFFFAOYSA-N 1 2 285.391 2.393 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000052442672 343561574 /nfs/dbraw/zinc/56/15/74/343561574.db2.gz WDZUGTXMCDVSRX-UHFFFAOYSA-N 1 2 250.342 2.136 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000052442672 343561576 /nfs/dbraw/zinc/56/15/76/343561576.db2.gz WDZUGTXMCDVSRX-UHFFFAOYSA-N 1 2 250.342 2.136 20 30 CEEDLO Cc1oc(NC(=O)C[NH+]2CCC(CF)CC2)c(C#N)c1C ZINC000295056167 199322160 /nfs/dbraw/zinc/32/21/60/199322160.db2.gz BSRYALOTTZYNNA-UHFFFAOYSA-N 1 2 293.342 2.388 20 30 CEEDLO C#CCN(C(=O)NCCCn1cc[nH+]c1)C1CCCCC1 ZINC000062465624 343671429 /nfs/dbraw/zinc/67/14/29/343671429.db2.gz IEFHYWZWRDEIRX-UHFFFAOYSA-N 1 2 288.395 2.251 20 30 CEEDLO C#CC[N@H+](Cc1nnnn1-c1ccccc1)C1CCCCC1 ZINC000065960548 343705284 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Cc1[nH+]c2cc(NC(=O)c3cc(C#N)cn3C)ccc2n1C ZINC000081550608 344056718 /nfs/dbraw/zinc/05/67/18/344056718.db2.gz AYZCZXNBLCDPJB-UHFFFAOYSA-N 1 2 293.330 2.344 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000049000641 362321651 /nfs/dbraw/zinc/32/16/51/362321651.db2.gz AIGZSAIXOUNHJE-LBPRGKRZSA-N 1 2 293.798 2.438 20 30 CEEDLO CC[N@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000049000641 362321653 /nfs/dbraw/zinc/32/16/53/362321653.db2.gz AIGZSAIXOUNHJE-LBPRGKRZSA-N 1 2 293.798 2.438 20 30 CEEDLO C[C@H]1CCN(c2cnccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000091740473 344171659 /nfs/dbraw/zinc/17/16/59/344171659.db2.gz DSPQQWUDEYNPCD-WFASDCNBSA-N 1 2 267.336 2.237 20 30 CEEDLO Cc1ccnc(NCCCCn2cc[nH+]c2)c1C#N ZINC000135073272 344379527 /nfs/dbraw/zinc/37/95/27/344379527.db2.gz UVJIYWLKJPEAPS-UHFFFAOYSA-N 1 2 255.325 2.351 20 30 CEEDLO CCc1nnc(N[C@H](C)c2[nH]cc[nH+]2)c(C#N)c1CC ZINC000139888663 344396231 /nfs/dbraw/zinc/39/62/31/344396231.db2.gz IWSGJCRSDFCGDV-SECBINFHSA-N 1 2 270.340 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/nfs/dbraw/zinc/28/54/87/345285487.db2.gz HGRRPSWACPMWOL-UKRRQHHQSA-N 1 2 273.380 2.495 20 30 CEEDLO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000592399578 345350739 /nfs/dbraw/zinc/35/07/39/345350739.db2.gz NGPWJKIERSNARQ-SRVKXCTJSA-N 1 2 252.358 2.389 20 30 CEEDLO C#CCCN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000127392342 187302508 /nfs/dbraw/zinc/30/25/08/187302508.db2.gz UHEHDGAUSAMFKB-UHFFFAOYSA-N 1 2 294.345 2.429 20 30 CEEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592522767 345365657 /nfs/dbraw/zinc/36/56/57/345365657.db2.gz RNPFKTFJMXQDSE-ZDUSSCGKSA-N 1 2 265.382 2.117 20 30 CEEDLO CC(C)c1cnc(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592522767 345365661 /nfs/dbraw/zinc/36/56/61/345365661.db2.gz RNPFKTFJMXQDSE-ZDUSSCGKSA-N 1 2 265.382 2.117 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592135265 345327847 /nfs/dbraw/zinc/32/78/47/345327847.db2.gz LRWLWMSQESLNTD-FRRDWIJNSA-N 1 2 297.395 2.014 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592135265 345327849 /nfs/dbraw/zinc/32/78/49/345327849.db2.gz LRWLWMSQESLNTD-FRRDWIJNSA-N 1 2 297.395 2.014 20 30 CEEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150374 345330260 /nfs/dbraw/zinc/33/02/60/345330260.db2.gz FFEHKJRDTPNSRC-NHYWBVRUSA-N 1 2 277.368 2.384 20 30 CEEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150374 345330263 /nfs/dbraw/zinc/33/02/63/345330263.db2.gz FFEHKJRDTPNSRC-NHYWBVRUSA-N 1 2 277.368 2.384 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116781 345442472 /nfs/dbraw/zinc/44/24/72/345442472.db2.gz IKAXBHCSUCJQPO-GFCCVEGCSA-N 1 2 297.330 2.289 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116781 345442475 /nfs/dbraw/zinc/44/24/75/345442475.db2.gz IKAXBHCSUCJQPO-GFCCVEGCSA-N 1 2 297.330 2.289 20 30 CEEDLO CC(C)OCC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125303 345444731 /nfs/dbraw/zinc/44/47/31/345444731.db2.gz FICXKIFWOZANCO-HNNXBMFYSA-N 1 2 274.364 2.050 20 30 CEEDLO CC(C)OCC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125303 345444733 /nfs/dbraw/zinc/44/47/33/345444733.db2.gz FICXKIFWOZANCO-HNNXBMFYSA-N 1 2 274.364 2.050 20 30 CEEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)CC(C)(C)C ZINC000593155230 345448082 /nfs/dbraw/zinc/44/80/82/345448082.db2.gz CLDDSBHBGJUAGA-SWLSCSKDSA-N 1 2 267.417 2.409 20 30 CEEDLO CC[C@H](C#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000593493641 345497953 /nfs/dbraw/zinc/49/79/53/345497953.db2.gz IFUCTRVDTVLLHL-OAHLLOKOSA-N 1 2 296.374 2.440 20 30 CEEDLO CC[C@H](C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000593397187 345476504 /nfs/dbraw/zinc/47/65/04/345476504.db2.gz UFAPVSYKXBDPNV-SECBINFHSA-N 1 2 276.727 2.154 20 30 CEEDLO CC[C@@H](C#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000593411788 345479094 /nfs/dbraw/zinc/47/90/94/345479094.db2.gz DTPVCCNRBUMKTN-ZDUSSCGKSA-N 1 2 287.363 2.007 20 30 CEEDLO N#CCCCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000593961443 345556864 /nfs/dbraw/zinc/55/68/64/345556864.db2.gz JTQKHISUAUOCEZ-UHFFFAOYSA-N 1 2 270.336 2.077 20 30 CEEDLO Cc1nsc(C)c1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000593968173 345557572 /nfs/dbraw/zinc/55/75/72/345557572.db2.gz IMPLCRFLAHHRSX-HNNXBMFYSA-N 1 2 292.452 2.426 20 30 CEEDLO Cc1nsc(C)c1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000593968174 345557655 /nfs/dbraw/zinc/55/76/55/345557655.db2.gz IMPLCRFLAHHRSX-OAHLLOKOSA-N 1 2 292.452 2.426 20 30 CEEDLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000593973721 345558520 /nfs/dbraw/zinc/55/85/20/345558520.db2.gz VJDHXZSAHZTJGE-LLVKDONJSA-N 1 2 284.367 2.151 20 30 CEEDLO COc1cc(OC)c(C[NH2+]C[C@@H](C)C#N)cc1F ZINC000593614949 345513348 /nfs/dbraw/zinc/51/33/48/345513348.db2.gz IPLYAEXSQAUNQS-VIFPVBQESA-N 1 2 252.289 2.092 20 30 CEEDLO CC1(C)C[NH+](CC(=O)Nc2cccc(CC#N)c2)C1 ZINC000594369670 345617532 /nfs/dbraw/zinc/61/75/32/345617532.db2.gz VEQOMFDLHDIKEK-UHFFFAOYSA-N 1 2 257.337 2.033 20 30 CEEDLO N#Cc1ccc(C2(NC(=O)CCc3[nH]cc[nH+]3)CCC2)cc1 ZINC000594401815 345621534 /nfs/dbraw/zinc/62/15/34/345621534.db2.gz ACICUKSEHCAMBF-UHFFFAOYSA-N 1 2 294.358 2.410 20 30 CEEDLO Cc1cc([NH2+]CC2(CC#N)CC2)ccc1-n1cnnn1 ZINC000594700468 345674605 /nfs/dbraw/zinc/67/46/05/345674605.db2.gz HHJTZFKSMCXMPK-UHFFFAOYSA-N 1 2 268.324 2.077 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000594709249 345676235 /nfs/dbraw/zinc/67/62/35/345676235.db2.gz GFVQDOUIRYHVQN-SECBINFHSA-N 1 2 283.257 2.029 20 30 CEEDLO C[C@@H]1C[N@@H+](CCSc2ccncc2C#N)C[C@H](C)O1 ZINC000594913760 345700009 /nfs/dbraw/zinc/70/00/09/345700009.db2.gz FDGJHTSFUDLKQG-TXEJJXNPSA-N 1 2 277.393 2.155 20 30 CEEDLO C[C@@H]1C[N@H+](CCSc2ccncc2C#N)C[C@H](C)O1 ZINC000594913760 345700010 /nfs/dbraw/zinc/70/00/10/345700010.db2.gz FDGJHTSFUDLKQG-TXEJJXNPSA-N 1 2 277.393 2.155 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000573739653 334962315 /nfs/dbraw/zinc/96/23/15/334962315.db2.gz AUDHKXICDSRSEW-UKRRQHHQSA-N 1 2 271.364 2.288 20 30 CEEDLO CN(CCCn1cc[nH+]c1)[C@@H](C#N)c1ccccc1 ZINC000595399560 345774852 /nfs/dbraw/zinc/77/48/52/345774852.db2.gz ATZWDBPBWICYEV-HNNXBMFYSA-N 1 2 254.337 2.470 20 30 CEEDLO C[C@H]1OCC[N@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000155999705 232235023 /nfs/dbraw/zinc/23/50/23/232235023.db2.gz YMGHRUFRXNNGDK-QWHCGFSZSA-N 1 2 269.348 2.420 20 30 CEEDLO C[C@H]1OCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000155999705 232235026 /nfs/dbraw/zinc/23/50/26/232235026.db2.gz YMGHRUFRXNNGDK-QWHCGFSZSA-N 1 2 269.348 2.420 20 30 CEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1[C@@H](C#N)c1ccccc1 ZINC000595493926 345795745 /nfs/dbraw/zinc/79/57/45/345795745.db2.gz XCSBBPKZRVFRKC-PVAVHDDUSA-N 1 2 285.391 2.046 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)NCC1(C#N)CCCCC1 ZINC000595646289 345837208 /nfs/dbraw/zinc/83/72/08/345837208.db2.gz KIYXLMWNVPIEPC-UHFFFAOYSA-N 1 2 289.383 2.176 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836422 345892090 /nfs/dbraw/zinc/89/20/90/345892090.db2.gz ZIOGNUUBJUJBBW-RHSMWYFYSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836422 345892093 /nfs/dbraw/zinc/89/20/93/345892093.db2.gz ZIOGNUUBJUJBBW-RHSMWYFYSA-N 1 2 285.391 2.235 20 30 CEEDLO CC(C)N(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)C1CCCC1 ZINC000595837366 345892877 /nfs/dbraw/zinc/89/28/77/345892877.db2.gz GQIDEQHSRBKDJM-MRXNPFEDSA-N 1 2 277.412 2.402 20 30 CEEDLO CC(C)N(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)C1CCCC1 ZINC000595837366 345892879 /nfs/dbraw/zinc/89/28/79/345892879.db2.gz GQIDEQHSRBKDJM-MRXNPFEDSA-N 1 2 277.412 2.402 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@](C)(C#N)C3)cc12 ZINC000595839310 345894650 /nfs/dbraw/zinc/89/46/50/345894650.db2.gz HSGLDXLCQOXVDW-OAHLLOKOSA-N 1 2 269.352 2.012 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+]3CC[C@](C)(C#N)C3)cc12 ZINC000595839310 345894654 /nfs/dbraw/zinc/89/46/54/345894654.db2.gz HSGLDXLCQOXVDW-OAHLLOKOSA-N 1 2 269.352 2.012 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](CC(F)(F)F)C2)C1 ZINC000595884959 345905907 /nfs/dbraw/zinc/90/59/07/345905907.db2.gz CRVJDMUMLDZPOT-MXWKQRLJSA-N 1 2 262.275 2.332 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](CC(F)(F)F)C2)C1 ZINC000595884959 345905909 /nfs/dbraw/zinc/90/59/09/345905909.db2.gz CRVJDMUMLDZPOT-MXWKQRLJSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@]1(C(F)F)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000595917834 345912869 /nfs/dbraw/zinc/91/28/69/345912869.db2.gz OQGSNPIZWKIQJG-CQSZACIVSA-N 1 2 266.291 2.414 20 30 CEEDLO C[C@]1(C(F)F)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000595917834 345912871 /nfs/dbraw/zinc/91/28/71/345912871.db2.gz OQGSNPIZWKIQJG-CQSZACIVSA-N 1 2 266.291 2.414 20 30 CEEDLO Cn1ncc(C#N)c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000596080256 345935544 /nfs/dbraw/zinc/93/55/44/345935544.db2.gz DYBANOORROWNGT-UHFFFAOYSA-N 1 2 296.378 2.289 20 30 CEEDLO CC[C@H](Nc1nc(C#N)c(Cl)s1)c1[nH]cc[nH+]1 ZINC000596201643 345968073 /nfs/dbraw/zinc/96/80/73/345968073.db2.gz AKZARSISGSZZKL-LURJTMIESA-N 1 2 267.745 2.376 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596706811 346077677 /nfs/dbraw/zinc/07/76/77/346077677.db2.gz AADYYVONSPLBSI-SNVBAGLBSA-N 1 2 299.334 2.183 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596709501 346078266 /nfs/dbraw/zinc/07/82/66/346078266.db2.gz SZDNVQGNFUHCJN-LLVKDONJSA-N 1 2 283.335 2.483 20 30 CEEDLO N#CC[C@H]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000596886826 346101650 /nfs/dbraw/zinc/10/16/50/346101650.db2.gz RIOOAJSIIFODBI-GFCCVEGCSA-N 1 2 283.335 2.492 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000597086294 346126956 /nfs/dbraw/zinc/12/69/56/346126956.db2.gz KKTSMNCWVSDVHA-MRVPVSSYSA-N 1 2 260.263 2.221 20 30 CEEDLO CC(C)N(C)c1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597203138 346148102 /nfs/dbraw/zinc/14/81/02/346148102.db2.gz GPXYWYAQEAASOZ-UHFFFAOYSA-N 1 2 258.369 2.272 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597228212 346155487 /nfs/dbraw/zinc/15/54/87/346155487.db2.gz BNRGWHRWAXCPBM-MRXNPFEDSA-N 1 2 290.363 2.448 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597228212 346155489 /nfs/dbraw/zinc/15/54/89/346155489.db2.gz BNRGWHRWAXCPBM-MRXNPFEDSA-N 1 2 290.363 2.448 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000597231128 346156052 /nfs/dbraw/zinc/15/60/52/346156052.db2.gz WODVWRPCVCINFG-OAHLLOKOSA-N 1 2 285.326 2.142 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000597231128 346156055 /nfs/dbraw/zinc/15/60/55/346156055.db2.gz WODVWRPCVCINFG-OAHLLOKOSA-N 1 2 285.326 2.142 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)CC#N ZINC000597563570 346202193 /nfs/dbraw/zinc/20/21/93/346202193.db2.gz MCOSQLAFVOBANU-CYBMUJFWSA-N 1 2 276.384 2.234 20 30 CEEDLO C[C@@H](CC(=O)NCCc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000597894330 346246961 /nfs/dbraw/zinc/24/69/61/346246961.db2.gz OPCPRWUQZGRFTF-ZDUSSCGKSA-N 1 2 282.347 2.065 20 30 CEEDLO C=CCCSCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000597975550 346261759 /nfs/dbraw/zinc/26/17/59/346261759.db2.gz HRXSORLQQHPLAY-GFCCVEGCSA-N 1 2 267.398 2.260 20 30 CEEDLO C=CC[N@H+](CC(=O)NC1CC1)Cc1cccs1 ZINC000060942704 362672892 /nfs/dbraw/zinc/67/28/92/362672892.db2.gz XTNMYYKIOWAZON-UHFFFAOYSA-N 1 2 250.367 2.015 20 30 CEEDLO C=CC[N@@H+](CC(=O)NC1CC1)Cc1cccs1 ZINC000060942704 362672897 /nfs/dbraw/zinc/67/28/97/362672897.db2.gz XTNMYYKIOWAZON-UHFFFAOYSA-N 1 2 250.367 2.015 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000598412087 346349858 /nfs/dbraw/zinc/34/98/58/346349858.db2.gz NOIVPYUKYHPQNF-INIZCTEOSA-N 1 2 282.347 2.107 20 30 CEEDLO CC(C)(C#N)C[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000598701441 346403708 /nfs/dbraw/zinc/40/37/08/346403708.db2.gz KLJDMZQGURKALR-ZDUSSCGKSA-N 1 2 270.336 2.246 20 30 CEEDLO N#CCCCCNc1nc2ccccc2n2c[nH+]cc12 ZINC000599041376 346450967 /nfs/dbraw/zinc/45/09/67/346450967.db2.gz SROZZKUTYKEQDG-UHFFFAOYSA-N 1 2 265.320 2.410 20 30 CEEDLO C[C@@H](CC#N)[NH2+]Cc1ccncc1Br ZINC000602608345 347099104 /nfs/dbraw/zinc/09/91/04/347099104.db2.gz UCTMNRHDMDXMNU-QMMMGPOBSA-N 1 2 254.131 2.236 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1C#N ZINC000599296916 346493182 /nfs/dbraw/zinc/49/31/82/346493182.db2.gz KGHLQLLHHUQRHV-VPZZIHKRSA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1C#N ZINC000599296916 346493185 /nfs/dbraw/zinc/49/31/85/346493185.db2.gz KGHLQLLHHUQRHV-VPZZIHKRSA-N 1 2 276.405 2.208 20 30 CEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000599340019 346501355 /nfs/dbraw/zinc/50/13/55/346501355.db2.gz ZSIYEMKMTFRHSA-STQMWFEESA-N 1 2 296.317 2.027 20 30 CEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000599340019 346501356 /nfs/dbraw/zinc/50/13/56/346501356.db2.gz ZSIYEMKMTFRHSA-STQMWFEESA-N 1 2 296.317 2.027 20 30 CEEDLO CC[C@](C)([NH2+]Cc1ccc(C)c(C#N)c1)C(=O)OC ZINC000599340921 346502179 /nfs/dbraw/zinc/50/21/79/346502179.db2.gz BORYKFKRTIMGEV-HNNXBMFYSA-N 1 2 260.337 2.298 20 30 CEEDLO COc1cncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677809 346562741 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378148745 /nfs/dbraw/zinc/14/87/45/378148745.db2.gz JLEKJKNKEPJUOP-CQSZACIVSA-N 1 2 282.428 2.158 20 30 CEEDLO C=CCC1(C(=O)N(C)CC[NH+]2CCOCC2)CCCCC1 ZINC000448878196 378190610 /nfs/dbraw/zinc/19/06/10/378190610.db2.gz OEWIHRPEFYDRIH-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCCOC2)CCC[C@@]12CCCCO2 ZINC000447923621 378159940 /nfs/dbraw/zinc/15/99/40/378159940.db2.gz SVMLGOHZCHTJSZ-JYJNAYRXSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCCOC2)CCC[C@@]12CCCCO2 ZINC000447923621 378159943 /nfs/dbraw/zinc/15/99/43/378159943.db2.gz SVMLGOHZCHTJSZ-JYJNAYRXSA-N 1 2 278.396 2.340 20 30 CEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)CC1(C#N)CCC1 ZINC000450246697 378326024 /nfs/dbraw/zinc/32/60/24/378326024.db2.gz LANVYXGFIAVSBO-CYBMUJFWSA-N 1 2 272.348 2.452 20 30 CEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)CC1(C#N)CCC1 ZINC000450246697 378326029 /nfs/dbraw/zinc/32/60/29/378326029.db2.gz LANVYXGFIAVSBO-CYBMUJFWSA-N 1 2 272.348 2.452 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](CC)C[C@H](C)C#N)nc1 ZINC000450325940 378356335 /nfs/dbraw/zinc/35/63/35/378356335.db2.gz GFNDJFRTURCNSA-GFCCVEGCSA-N 1 2 275.352 2.240 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](CC)C[C@H](C)C#N)nc1 ZINC000450325940 378356339 /nfs/dbraw/zinc/35/63/39/378356339.db2.gz GFNDJFRTURCNSA-GFCCVEGCSA-N 1 2 275.352 2.240 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000266914170 190290167 /nfs/dbraw/zinc/29/01/67/190290167.db2.gz KAZSAOGTHZCUEY-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO C#CC[N@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000266914170 190290168 /nfs/dbraw/zinc/29/01/68/190290168.db2.gz KAZSAOGTHZCUEY-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000267219524 190313187 /nfs/dbraw/zinc/31/31/87/190313187.db2.gz ALJJSEIOANMSHF-AWEZNQCLSA-N 1 2 290.407 2.450 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000267219524 190313188 /nfs/dbraw/zinc/31/31/88/190313188.db2.gz ALJJSEIOANMSHF-AWEZNQCLSA-N 1 2 290.407 2.450 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000267532435 190336057 /nfs/dbraw/zinc/33/60/57/190336057.db2.gz LVZIRKKVHHUSOP-HNNXBMFYSA-N 1 2 298.390 2.012 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000267532435 190336058 /nfs/dbraw/zinc/33/60/58/190336058.db2.gz LVZIRKKVHHUSOP-HNNXBMFYSA-N 1 2 298.390 2.012 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528368604 379948282 /nfs/dbraw/zinc/94/82/82/379948282.db2.gz PEOOUPXNMJXMFM-JSGCOSHPSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528368604 379948288 /nfs/dbraw/zinc/94/82/88/379948288.db2.gz PEOOUPXNMJXMFM-JSGCOSHPSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H]1CSCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459333831 380061020 /nfs/dbraw/zinc/06/10/20/380061020.db2.gz CLLWUJHYAYNEPO-SNVBAGLBSA-N 1 2 277.349 2.404 20 30 CEEDLO C[C@@H]1CSCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459333831 380061029 /nfs/dbraw/zinc/06/10/29/380061029.db2.gz CLLWUJHYAYNEPO-SNVBAGLBSA-N 1 2 277.349 2.404 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528767175 380086578 /nfs/dbraw/zinc/08/65/78/380086578.db2.gz LMLKFSNRNBZOLT-DGCLKSJQSA-N 1 2 287.354 2.160 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528767175 380086587 /nfs/dbraw/zinc/08/65/87/380086587.db2.gz LMLKFSNRNBZOLT-DGCLKSJQSA-N 1 2 287.354 2.160 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nnc2n1CCC2 ZINC000531016760 380206106 /nfs/dbraw/zinc/20/61/06/380206106.db2.gz VTXVOHYDHBXTRL-GFCCVEGCSA-N 1 2 281.363 2.289 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000531016760 380206115 /nfs/dbraw/zinc/20/61/15/380206115.db2.gz VTXVOHYDHBXTRL-GFCCVEGCSA-N 1 2 281.363 2.289 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCC#N)c1ccccc1 ZINC000541356295 380272471 /nfs/dbraw/zinc/27/24/71/380272471.db2.gz XGXNNNWZQGYCRC-AWEZNQCLSA-N 1 2 297.362 2.112 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000491339531 380308028 /nfs/dbraw/zinc/30/80/28/380308028.db2.gz QQBJEFYNIAMWOP-LSDHHAIUSA-N 1 2 263.381 2.202 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000491339531 380308032 /nfs/dbraw/zinc/30/80/32/380308032.db2.gz QQBJEFYNIAMWOP-LSDHHAIUSA-N 1 2 263.381 2.202 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C#N)cc1)CCC2 ZINC000334425340 380393424 /nfs/dbraw/zinc/39/34/24/380393424.db2.gz UOUOEUWLOCCFIR-OAHLLOKOSA-N 1 2 294.358 2.371 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000334435983 380408491 /nfs/dbraw/zinc/40/84/91/380408491.db2.gz GGWBKVDRDBEVAP-ZDUSSCGKSA-N 1 2 266.304 2.259 20 30 CEEDLO C=CCOc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493325023 380923445 /nfs/dbraw/zinc/92/34/45/380923445.db2.gz QVCOPMGLLCQWDW-VMPITWQZSA-N 1 2 283.331 2.304 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC(CCC#N)CC1 ZINC000493534685 381042856 /nfs/dbraw/zinc/04/28/56/381042856.db2.gz ZAMFRGQNOAACOG-AATRIKPKSA-N 1 2 286.379 2.459 20 30 CEEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)CCC1(F)F ZINC000334839771 207167364 /nfs/dbraw/zinc/16/73/64/207167364.db2.gz ZVVCYYJLIFYORQ-QMMMGPOBSA-N 1 2 257.309 2.492 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CCC1(F)F ZINC000334839771 207167365 /nfs/dbraw/zinc/16/73/65/207167365.db2.gz ZVVCYYJLIFYORQ-QMMMGPOBSA-N 1 2 257.309 2.492 20 30 CEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000281534113 195277797 /nfs/dbraw/zinc/27/77/97/195277797.db2.gz WJYGWIJQRAGEHL-LBPRGKRZSA-N 1 2 293.392 2.059 20 30 CEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000281534113 195277800 /nfs/dbraw/zinc/27/78/00/195277800.db2.gz WJYGWIJQRAGEHL-LBPRGKRZSA-N 1 2 293.392 2.059 20 30 CEEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234079576 394482586 /nfs/dbraw/zinc/48/25/86/394482586.db2.gz HXFANACFTDWBNN-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234079576 394482588 /nfs/dbraw/zinc/48/25/88/394482588.db2.gz HXFANACFTDWBNN-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)c1cc(C(F)(F)F)cnc1C#N ZINC000413149748 394493754 /nfs/dbraw/zinc/49/37/54/394493754.db2.gz SEQVKEWZKYHZHF-UHFFFAOYSA-N 1 2 281.241 2.332 20 30 CEEDLO CCC[C@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000329416086 394562493 /nfs/dbraw/zinc/56/24/93/394562493.db2.gz ZAFPZQBZQHUULM-WFASDCNBSA-N 1 2 277.368 2.361 20 30 CEEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC(F)(F)C1 ZINC000329423761 394563231 /nfs/dbraw/zinc/56/32/31/394563231.db2.gz FWNUAHLBGNBSAI-SNVBAGLBSA-N 1 2 284.310 2.016 20 30 CEEDLO N#CC1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000060893110 394567405 /nfs/dbraw/zinc/56/74/05/394567405.db2.gz QJXDGKJOYAXNTE-UHFFFAOYSA-N 1 2 297.402 2.418 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCOC1 ZINC000329500238 394568037 /nfs/dbraw/zinc/56/80/37/394568037.db2.gz KEZIZEJCTNGVFW-XQQFMLRXSA-N 1 2 277.368 2.217 20 30 CEEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(C(F)F)CC1 ZINC000329741545 394581662 /nfs/dbraw/zinc/58/16/62/394581662.db2.gz OTMCNEFDYLMAFQ-JTQLQIEISA-N 1 2 298.337 2.158 20 30 CEEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(C(F)F)CC1 ZINC000329741545 394581663 /nfs/dbraw/zinc/58/16/63/394581663.db2.gz OTMCNEFDYLMAFQ-JTQLQIEISA-N 1 2 298.337 2.158 20 30 CEEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCS1 ZINC000329743189 394582796 /nfs/dbraw/zinc/58/27/96/394582796.db2.gz XBDXICJWBJIUFD-GHMZBOCLSA-N 1 2 294.424 2.008 20 30 CEEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCS1 ZINC000329743189 394582798 /nfs/dbraw/zinc/58/27/98/394582798.db2.gz XBDXICJWBJIUFD-GHMZBOCLSA-N 1 2 294.424 2.008 20 30 CEEDLO CC1(C)COCC[N@@H+]1CCOc1ccccc1C#N ZINC000048927663 394539203 /nfs/dbraw/zinc/53/92/03/394539203.db2.gz LFSRHGJZBYLHTJ-UHFFFAOYSA-N 1 2 260.337 2.048 20 30 CEEDLO CC1(C)COCC[N@H+]1CCOc1ccccc1C#N ZINC000048927663 394539206 /nfs/dbraw/zinc/53/92/06/394539206.db2.gz LFSRHGJZBYLHTJ-UHFFFAOYSA-N 1 2 260.337 2.048 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(F)c1 ZINC000090009107 394654061 /nfs/dbraw/zinc/65/40/61/394654061.db2.gz FUAWBZJUMZTNNC-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(F)c1 ZINC000090009107 394654063 /nfs/dbraw/zinc/65/40/63/394654063.db2.gz FUAWBZJUMZTNNC-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO CC(C)(C)CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330526133 394617872 /nfs/dbraw/zinc/61/78/72/394617872.db2.gz WBVVIOKIABDZHA-UHFFFAOYSA-N 1 2 285.432 2.037 20 30 CEEDLO CC(C)(C)CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330526133 394617874 /nfs/dbraw/zinc/61/78/74/394617874.db2.gz WBVVIOKIABDZHA-UHFFFAOYSA-N 1 2 285.432 2.037 20 30 CEEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000330565383 394619999 /nfs/dbraw/zinc/61/99/99/394619999.db2.gz AJBOVAXTUWDALY-MLGOLLRUSA-N 1 2 291.395 2.463 20 30 CEEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000330565383 394620005 /nfs/dbraw/zinc/62/00/05/394620005.db2.gz AJBOVAXTUWDALY-MLGOLLRUSA-N 1 2 291.395 2.463 20 30 CEEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000334244965 394668456 /nfs/dbraw/zinc/66/84/56/394668456.db2.gz RKWZMUOKAJLDEL-QWHCGFSZSA-N 1 2 289.354 2.191 20 30 CEEDLO Cn1ccnc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264093064 394633897 /nfs/dbraw/zinc/63/38/97/394633897.db2.gz GWMWIBWDCPHWIH-UHFFFAOYSA-N 1 2 296.374 2.335 20 30 CEEDLO CN(C)C(=O)[C@H]1CCC[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000265110551 394645213 /nfs/dbraw/zinc/64/52/13/394645213.db2.gz DLNRETKJKDCALS-VJXRCLRWSA-N 1 2 274.364 2.458 20 30 CEEDLO COCC[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000267987308 394687833 /nfs/dbraw/zinc/68/78/33/394687833.db2.gz IJRBJGBWXVETIN-SECBINFHSA-N 1 2 256.733 2.402 20 30 CEEDLO C[C@H]1SCC[N@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000334493047 394690915 /nfs/dbraw/zinc/69/09/15/394690915.db2.gz AXBBBHLVKOCTIQ-DTWKUNHWSA-N 1 2 253.396 2.341 20 30 CEEDLO C[C@H]1SCC[N@@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000334493047 394690918 /nfs/dbraw/zinc/69/09/18/394690918.db2.gz AXBBBHLVKOCTIQ-DTWKUNHWSA-N 1 2 253.396 2.341 20 30 CEEDLO COCOc1ccc(OC)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000271124709 394747751 /nfs/dbraw/zinc/74/77/51/394747751.db2.gz KFGQXQBDTUKJAH-LBPRGKRZSA-N 1 2 278.352 2.269 20 30 CEEDLO COCOc1ccc(OC)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000271124709 394747753 /nfs/dbraw/zinc/74/77/53/394747753.db2.gz KFGQXQBDTUKJAH-LBPRGKRZSA-N 1 2 278.352 2.269 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000361105417 394815571 /nfs/dbraw/zinc/81/55/71/394815571.db2.gz BKBAYZSMJCDLQR-CHWSQXEVSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)OC ZINC000361107471 394816095 /nfs/dbraw/zinc/81/60/95/394816095.db2.gz ILBQKZMKHRLSNR-IUODEOHRSA-N 1 2 295.354 2.091 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OC ZINC000361114804 394817291 /nfs/dbraw/zinc/81/72/91/394817291.db2.gz UUDGWJVGHDFEHI-CYBMUJFWSA-N 1 2 269.385 2.289 20 30 CEEDLO CCC[N@@H+](CC#N)CCCCN1C(=O)c2ccccc2C1=O ZINC000123002090 394820856 /nfs/dbraw/zinc/82/08/56/394820856.db2.gz QXFYRYHSIQDGDL-UHFFFAOYSA-N 1 2 299.374 2.298 20 30 CEEDLO CCC[N@H+](CC#N)CCCCN1C(=O)c2ccccc2C1=O ZINC000123002090 394820860 /nfs/dbraw/zinc/82/08/60/394820860.db2.gz QXFYRYHSIQDGDL-UHFFFAOYSA-N 1 2 299.374 2.298 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnnn1C(C)(C)C ZINC000362178029 394847716 /nfs/dbraw/zinc/84/77/16/394847716.db2.gz JJXWVRWYKUQUCI-UHFFFAOYSA-N 1 2 289.383 2.252 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1nnnn1C(C)(C)C ZINC000362178029 394847720 /nfs/dbraw/zinc/84/77/20/394847720.db2.gz JJXWVRWYKUQUCI-UHFFFAOYSA-N 1 2 289.383 2.252 20 30 CEEDLO C=C[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000362371433 394857393 /nfs/dbraw/zinc/85/73/93/394857393.db2.gz RGZPKFFNDKJGDO-MFKMUULPSA-N 1 2 297.349 2.441 20 30 CEEDLO N#C[C@H]1N(CCCn2cc[nH+]c2)CCC[C@@]12CCCCO2 ZINC000366091714 394937470 /nfs/dbraw/zinc/93/74/70/394937470.db2.gz MFDHQRMPVWAWFW-CVEARBPZSA-N 1 2 288.395 2.200 20 30 CEEDLO Cc1nsc(N(C)CCCn2cc[nH+]c2)c1C#N ZINC000286107648 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251.330 2.108 20 30 CEEDLO CCCN1CCC[N@H+](Cc2cc(C#N)cs2)CC1=O ZINC000189212325 395324966 /nfs/dbraw/zinc/32/49/66/395324966.db2.gz JNKWPLNJZHYJQO-UHFFFAOYSA-N 1 2 277.393 2.064 20 30 CEEDLO CCCN1CCC[N@@H+](Cc2cc(C#N)cs2)CC1=O ZINC000189212325 395324968 /nfs/dbraw/zinc/32/49/68/395324968.db2.gz JNKWPLNJZHYJQO-UHFFFAOYSA-N 1 2 277.393 2.064 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480518 395259200 /nfs/dbraw/zinc/25/92/00/395259200.db2.gz CTYBNMCCEZMAQW-ZDUSSCGKSA-N 1 2 281.375 2.127 20 30 CEEDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)CC1 ZINC000191973336 395368606 /nfs/dbraw/zinc/36/86/06/395368606.db2.gz SEFPMOJJVXBSKU-GFCCVEGCSA-N 1 2 252.358 2.342 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C(=O)OC)C1CC1 ZINC000411485001 395330630 /nfs/dbraw/zinc/33/06/30/395330630.db2.gz AHEJJKDQZRDOKS-AWEZNQCLSA-N 1 2 263.337 2.262 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@H](C(=O)OC)C1CC1 ZINC000411485001 395330632 /nfs/dbraw/zinc/33/06/32/395330632.db2.gz 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COCC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCOC1 ZINC000490061135 395668937 /nfs/dbraw/zinc/66/89/37/395668937.db2.gz OGBPLDJWLDQVIK-OAHLLOKOSA-N 1 2 299.374 2.048 20 30 CEEDLO COCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCOC1 ZINC000490061135 395668938 /nfs/dbraw/zinc/66/89/38/395668938.db2.gz OGBPLDJWLDQVIK-OAHLLOKOSA-N 1 2 299.374 2.048 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc(NC)c2ccccc2[nH+]1 ZINC000649465975 396160558 /nfs/dbraw/zinc/16/05/58/396160558.db2.gz CCNPXGICAFHRDY-KGLIPLIRSA-N 1 2 284.363 2.239 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488978690 400586626 /nfs/dbraw/zinc/58/66/26/400586626.db2.gz ZKVQRNHSBJMJRH-MRXNPFEDSA-N 1 2 285.391 2.309 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488978690 400586632 /nfs/dbraw/zinc/58/66/32/400586632.db2.gz ZKVQRNHSBJMJRH-MRXNPFEDSA-N 1 2 285.391 2.309 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000611413848 400666564 /nfs/dbraw/zinc/66/65/64/400666564.db2.gz ZUWAUTXBJVBAEC-UHFFFAOYSA-N 1 2 298.390 2.449 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000611413848 400666568 /nfs/dbraw/zinc/66/65/68/400666568.db2.gz ZUWAUTXBJVBAEC-UHFFFAOYSA-N 1 2 298.390 2.449 20 30 CEEDLO C=CCCCCN1CC[N@@H+](CCOC)CC1(C)C ZINC000649850837 400724887 /nfs/dbraw/zinc/72/48/87/400724887.db2.gz CBLOQWXAZABEGV-UHFFFAOYSA-N 1 2 254.418 2.385 20 30 CEEDLO C=CCCCCN1CC[N@H+](CCOC)CC1(C)C ZINC000649850837 400724891 /nfs/dbraw/zinc/72/48/91/400724891.db2.gz CBLOQWXAZABEGV-UHFFFAOYSA-N 1 2 254.418 2.385 20 30 CEEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191308213 153169038 /nfs/dbraw/zinc/16/90/38/153169038.db2.gz KJSOFLOUTHQUMD-AWEZNQCLSA-N 1 2 298.394 2.236 20 30 CEEDLO N#Cc1cnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)cn1 ZINC000344010322 154269099 /nfs/dbraw/zinc/26/90/99/154269099.db2.gz HQPBFCXZDISUGN-UHFFFAOYSA-N 1 2 276.303 2.350 20 30 CEEDLO CCn1cc(C[N@@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000536668578 298204073 /nfs/dbraw/zinc/20/40/73/298204073.db2.gz XFRJDXGSVTUNIG-UHFFFAOYSA-N 1 2 260.366 2.468 20 30 CEEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c[nH]1 ZINC000180818993 165321349 /nfs/dbraw/zinc/32/13/49/165321349.db2.gz OUMLRRMQGYKFQI-UHFFFAOYSA-N 1 2 295.277 2.463 20 30 CEEDLO COc1cccc(C[NH2+]CCC#N)c1OC(F)F ZINC000035161414 172020751 /nfs/dbraw/zinc/02/07/51/172020751.db2.gz POFJOZVSZGJKTA-UHFFFAOYSA-N 1 2 256.252 2.300 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2OC)nn1 ZINC000657285035 414830494 /nfs/dbraw/zinc/83/04/94/414830494.db2.gz VBUOPDMLAZDFQB-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2N(C)C)nn1 ZINC000657366499 414890979 /nfs/dbraw/zinc/89/09/79/414890979.db2.gz HSWGUDVPEIUQEB-UHFFFAOYSA-N 1 2 285.395 2.210 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](CCO)c2ccccc2)nn1 ZINC000653599179 415048145 /nfs/dbraw/zinc/04/81/45/415048145.db2.gz BNBMHDWVKTZYRT-MRXNPFEDSA-N 1 2 286.379 2.068 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)nn1 ZINC000653615790 415055765 /nfs/dbraw/zinc/05/57/65/415055765.db2.gz ZISLTEFRKPXRRD-ZDUSSCGKSA-N 1 2 288.399 2.482 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000653757663 415095745 /nfs/dbraw/zinc/09/57/45/415095745.db2.gz YXXQNSHPBUYIKI-RISCZKNCSA-N 1 2 287.363 2.498 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(CC)s1)[C@H](C)COC ZINC000661241303 415151448 /nfs/dbraw/zinc/15/14/48/415151448.db2.gz VJBRLUZERGJUKN-SNVBAGLBSA-N 1 2 255.387 2.123 20 30 CEEDLO C=CC[N@H+](Cc1nnc(CC)s1)[C@H](C)COC ZINC000661241303 415151454 /nfs/dbraw/zinc/15/14/54/415151454.db2.gz VJBRLUZERGJUKN-SNVBAGLBSA-N 1 2 255.387 2.123 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204051 415131035 /nfs/dbraw/zinc/13/10/35/415131035.db2.gz BDDXBYHKJPYDJX-UPJWGTAASA-N 1 2 286.379 2.160 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204051 415131039 /nfs/dbraw/zinc/13/10/39/415131039.db2.gz BDDXBYHKJPYDJX-UPJWGTAASA-N 1 2 286.379 2.160 20 30 CEEDLO CC#CC[C@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000664055414 415145588 /nfs/dbraw/zinc/14/55/88/415145588.db2.gz BSWUDYXEADUCQB-SNVBAGLBSA-N 1 2 298.184 2.042 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc3cnccc3o2)nn1 ZINC000658038862 415169687 /nfs/dbraw/zinc/16/96/87/415169687.db2.gz SMYVLRAXUWPIJG-LLVKDONJSA-N 1 2 283.335 2.456 20 30 CEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000661302890 415190206 /nfs/dbraw/zinc/19/02/06/415190206.db2.gz CYVOTPZINGAKAT-DZGCQCFKSA-N 1 2 290.411 2.397 20 30 CEEDLO C=CC[C@@H]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000664253916 415245631 /nfs/dbraw/zinc/24/56/31/415245631.db2.gz RMRJKMSEWQDXMR-GFCCVEGCSA-N 1 2 261.373 2.039 20 30 CEEDLO C=CC[C@@H]1CCCN(c2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000664253916 415245638 /nfs/dbraw/zinc/24/56/38/415245638.db2.gz RMRJKMSEWQDXMR-GFCCVEGCSA-N 1 2 261.373 2.039 20 30 CEEDLO C=CCOCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000658207588 415256828 /nfs/dbraw/zinc/25/68/28/415256828.db2.gz VLMIZNIUJXRKFI-CQSZACIVSA-N 1 2 290.342 2.216 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-n2cc[nH+]c2)ncn1 ZINC000664572791 415406024 /nfs/dbraw/zinc/40/60/24/415406024.db2.gz YGDRVGZEXMABKZ-BETUJISGSA-N 1 2 267.336 2.350 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822405 415488013 /nfs/dbraw/zinc/48/80/13/415488013.db2.gz IKFCGNYKQDSWHC-HUUCEWRRSA-N 1 2 285.391 2.251 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822405 415488021 /nfs/dbraw/zinc/48/80/21/415488021.db2.gz IKFCGNYKQDSWHC-HUUCEWRRSA-N 1 2 285.391 2.251 20 30 CEEDLO C=C(CNC(=O)N[C@@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000664900262 415518839 /nfs/dbraw/zinc/51/88/39/415518839.db2.gz WXABQFVPKSGFNW-ZDUSSCGKSA-N 1 2 284.363 2.494 20 30 CEEDLO C=CC(C)(C)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656172509 415618477 /nfs/dbraw/zinc/61/84/77/415618477.db2.gz GLDMFAJIONJOIZ-ZDUSSCGKSA-N 1 2 276.384 2.442 20 30 CEEDLO Cn1cc[nH+]c1CNc1c(C#N)cnc2ccccc21 ZINC000071274411 176106368 /nfs/dbraw/zinc/10/63/68/176106368.db2.gz NMIRPJAPBYKMTO-UHFFFAOYSA-N 1 2 263.304 2.452 20 30 CEEDLO C=CCC1(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC1 ZINC000656553149 415762776 /nfs/dbraw/zinc/76/27/76/415762776.db2.gz ZJLIYDHLRXBJJM-ZDUSSCGKSA-N 1 2 276.384 2.460 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1cccc(C#N)c1 ZINC000077901268 177309285 /nfs/dbraw/zinc/30/92/85/177309285.db2.gz UWMYQBKZIRPYIT-AWEZNQCLSA-N 1 2 260.337 2.332 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000077901268 177309287 /nfs/dbraw/zinc/30/92/87/177309287.db2.gz UWMYQBKZIRPYIT-AWEZNQCLSA-N 1 2 260.337 2.332 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)[C@@]3(C#N)C[C@H]3C)ccc2n1C ZINC000334753293 225308235 /nfs/dbraw/zinc/30/82/35/225308235.db2.gz RRQIUJPHFWHOIS-RFAUZJTJSA-N 1 2 268.320 2.370 20 30 CEEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346977250 226002268 /nfs/dbraw/zinc/00/22/68/226002268.db2.gz IHXXCCAFZYVACQ-LBPRGKRZSA-N 1 2 287.363 2.367 20 30 CEEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346977250 226002270 /nfs/dbraw/zinc/00/22/70/226002270.db2.gz IHXXCCAFZYVACQ-LBPRGKRZSA-N 1 2 287.363 2.367 20 30 CEEDLO C[C@@H]1C[N@H+](CCC#N)C2(CCCC2)CN1CCC#N ZINC000411792753 262706646 /nfs/dbraw/zinc/70/66/46/262706646.db2.gz OTSKJKHTHORITH-CQSZACIVSA-N 1 2 260.385 2.133 20 30 CEEDLO C[C@@H]1C[N@@H+](CCC#N)C2(CCCC2)CN1CCC#N ZINC000411792753 262706647 /nfs/dbraw/zinc/70/66/47/262706647.db2.gz OTSKJKHTHORITH-CQSZACIVSA-N 1 2 260.385 2.133 20 30 CEEDLO C[C@@H]1CN(CCC#N)C2(CCCC2)C[N@@H+]1CCC#N ZINC000411792753 262706648 /nfs/dbraw/zinc/70/66/48/262706648.db2.gz OTSKJKHTHORITH-CQSZACIVSA-N 1 2 260.385 2.133 20 30 CEEDLO C[C@@H]1CN(CCC#N)C2(CCCC2)C[N@H+]1CCC#N ZINC000411792753 262706649 /nfs/dbraw/zinc/70/66/49/262706649.db2.gz OTSKJKHTHORITH-CQSZACIVSA-N 1 2 260.385 2.133 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000354586144 227043142 /nfs/dbraw/zinc/04/31/42/227043142.db2.gz OGBYEQWLNNIAJG-ZBFHGGJFSA-N 1 2 296.374 2.475 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354740606 227088341 /nfs/dbraw/zinc/08/83/41/227088341.db2.gz WUVIAXDDIQVANE-CYBMUJFWSA-N 1 2 286.441 2.215 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354740606 227088344 /nfs/dbraw/zinc/08/83/44/227088344.db2.gz WUVIAXDDIQVANE-CYBMUJFWSA-N 1 2 286.441 2.215 20 30 CEEDLO C=CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000665946496 419488342 /nfs/dbraw/zinc/48/83/42/419488342.db2.gz NJVLQJOEZNLWDC-STQMWFEESA-N 1 2 262.357 2.052 20 30 CEEDLO C=C[C@@](C)(O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000667015961 419521711 /nfs/dbraw/zinc/52/17/11/419521711.db2.gz DETQPCKOXCKZTG-CQSZACIVSA-N 1 2 295.408 2.005 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000356474846 260017187 /nfs/dbraw/zinc/01/71/87/260017187.db2.gz LIPUWMPGCCAGEI-LXTVHRRPSA-N 1 2 279.428 2.361 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000356474846 260017189 /nfs/dbraw/zinc/01/71/89/260017189.db2.gz LIPUWMPGCCAGEI-LXTVHRRPSA-N 1 2 279.428 2.361 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000298550659 260156526 /nfs/dbraw/zinc/15/65/26/260156526.db2.gz ODJAHUXUAIDEPX-GJZGRUSLSA-N 1 2 272.392 2.425 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000298550659 260156528 /nfs/dbraw/zinc/15/65/28/260156528.db2.gz ODJAHUXUAIDEPX-GJZGRUSLSA-N 1 2 272.392 2.425 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(C)CC)Cc1ccccc1F ZINC000298921854 260168938 /nfs/dbraw/zinc/16/89/38/260168938.db2.gz AHABEIITMUORHW-UHFFFAOYSA-N 1 2 264.344 2.292 20 30 CEEDLO C=CC[N@H+](CC(=O)N(C)CC)Cc1ccccc1F ZINC000298921854 260168939 /nfs/dbraw/zinc/16/89/39/260168939.db2.gz AHABEIITMUORHW-UHFFFAOYSA-N 1 2 264.344 2.292 20 30 CEEDLO C#CCN(CC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000299112831 260173092 /nfs/dbraw/zinc/17/30/92/260173092.db2.gz IXHBHZQKRMNRHU-UHFFFAOYSA-N 1 2 267.332 2.027 20 30 CEEDLO Cc1cccn2cc(COc3cccnc3C#N)[nH+]c12 ZINC000516901859 260237179 /nfs/dbraw/zinc/23/71/79/260237179.db2.gz FXLSINCNEMYMMF-UHFFFAOYSA-N 1 2 264.288 2.488 20 30 CEEDLO CCCCCNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063457574 260239727 /nfs/dbraw/zinc/23/97/27/260239727.db2.gz DKSMLIMEFDDTDE-UHFFFAOYSA-N 1 2 295.358 2.077 20 30 CEEDLO C#C[C@@H](NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000374265751 260253896 /nfs/dbraw/zinc/25/38/96/260253896.db2.gz OYTCUIQIDBVOQU-UONOGXRCSA-N 1 2 288.395 2.026 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)Cc1ccco1 ZINC000072692417 260277375 /nfs/dbraw/zinc/27/73/75/260277375.db2.gz FJYCEZGVOPPSTN-UHFFFAOYSA-N 1 2 291.395 2.500 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)Cc1ccco1 ZINC000072692417 260277376 /nfs/dbraw/zinc/27/73/76/260277376.db2.gz FJYCEZGVOPPSTN-UHFFFAOYSA-N 1 2 291.395 2.500 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/CCCn2cccn2)c1 ZINC000075691750 260291370 /nfs/dbraw/zinc/29/13/70/260291370.db2.gz GQWVFSMXSMEGMA-RVDMUPIBSA-N 1 2 259.309 2.107 20 30 CEEDLO CC(C)(C)c1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000408159330 260321073 /nfs/dbraw/zinc/32/10/73/260321073.db2.gz PFZCGIKWVGNIMO-UHFFFAOYSA-N 1 2 262.357 2.493 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C)C(=O)OC ZINC000449297747 260374275 /nfs/dbraw/zinc/37/42/75/260374275.db2.gz DTVOQNYAGRVSLZ-FQUUOJAGSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCC[N@@H+](C)Cc1c(Br)c(C)nn1C ZINC000448376607 261134065 /nfs/dbraw/zinc/13/40/65/261134065.db2.gz WMKJGFBMXNKFID-UHFFFAOYSA-N 1 2 272.190 2.499 20 30 CEEDLO C=CCC[N@H+](C)Cc1c(Br)c(C)nn1C ZINC000448376607 261134067 /nfs/dbraw/zinc/13/40/67/261134067.db2.gz WMKJGFBMXNKFID-UHFFFAOYSA-N 1 2 272.190 2.499 20 30 CEEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1cccc(OCC)c1O ZINC000157191003 261142298 /nfs/dbraw/zinc/14/22/98/261142298.db2.gz YCOSLENGDZHIJM-LICLKQGHSA-N 1 2 292.379 2.372 20 30 CEEDLO C#CC(C)(C)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000490657700 261180207 /nfs/dbraw/zinc/18/02/07/261180207.db2.gz ZMLYUSYPRDOEMT-YFHOEESVSA-N 1 2 279.343 2.414 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000104678460 261297147 /nfs/dbraw/zinc/29/71/47/261297147.db2.gz VDVJMDMZTJUOGO-CMPLNLGQSA-N 1 2 293.333 2.314 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104678460 261297149 /nfs/dbraw/zinc/29/71/49/261297149.db2.gz VDVJMDMZTJUOGO-CMPLNLGQSA-N 1 2 293.333 2.314 20 30 CEEDLO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(C#N)CC1 ZINC000162891947 261298286 /nfs/dbraw/zinc/29/82/86/261298286.db2.gz HXVAGKKIQQWKRG-OAHLLOKOSA-N 1 2 272.348 2.445 20 30 CEEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000187335276 262132058 /nfs/dbraw/zinc/13/20/58/262132058.db2.gz NJGNLUCDMQOVQF-LBPRGKRZSA-N 1 2 291.782 2.459 20 30 CEEDLO Cn1ccnc1[C@H]([NH2+]CCCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000273167421 263013446 /nfs/dbraw/zinc/01/34/46/263013446.db2.gz LUCGFFQUCDGUIY-CQSZACIVSA-N 1 2 299.334 2.311 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000273842870 263019851 /nfs/dbraw/zinc/01/98/51/263019851.db2.gz IDSVSVRFRWMPKU-HNNXBMFYSA-N 1 2 282.347 2.353 20 30 CEEDLO CCn1cc(CC[N@H+](CCC#N)Cc2ccccn2)cn1 ZINC000276273649 263035507 /nfs/dbraw/zinc/03/55/07/263035507.db2.gz DGOHNUVXVOSNHM-UHFFFAOYSA-N 1 2 283.379 2.256 20 30 CEEDLO CCn1cc(CC[N@@H+](CCC#N)Cc2ccccn2)cn1 ZINC000276273649 263035508 /nfs/dbraw/zinc/03/55/08/263035508.db2.gz DGOHNUVXVOSNHM-UHFFFAOYSA-N 1 2 283.379 2.256 20 30 CEEDLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)CCC#N)C[C@@H]2O ZINC000276280613 263035779 /nfs/dbraw/zinc/03/57/79/263035779.db2.gz FROJOQSCOOHIGR-YPMHNXCESA-N 1 2 290.363 2.245 20 30 CEEDLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)CCC#N)C[C@@H]2O ZINC000276280613 263035780 /nfs/dbraw/zinc/03/57/80/263035780.db2.gz FROJOQSCOOHIGR-YPMHNXCESA-N 1 2 290.363 2.245 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278566643 263049013 /nfs/dbraw/zinc/04/90/13/263049013.db2.gz WCICDDAIDAAWNQ-LBPRGKRZSA-N 1 2 288.347 2.265 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278566643 263049014 /nfs/dbraw/zinc/04/90/14/263049014.db2.gz WCICDDAIDAAWNQ-LBPRGKRZSA-N 1 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2.254 20 30 CEEDLO CCC[C@H](C)C(=O)NCC/[NH+]=C/c1cccc(O)c1O ZINC000292234687 263129837 /nfs/dbraw/zinc/12/98/37/263129837.db2.gz BJZJPJVRQOLJED-YAFRSCOQSA-N 1 2 278.352 2.069 20 30 CEEDLO N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000298462082 263219919 /nfs/dbraw/zinc/21/99/19/263219919.db2.gz OGJNABNQBPFWNL-JSGCOSHPSA-N 1 2 297.362 2.216 20 30 CEEDLO CN1C(=O)C[C@@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000298584289 263222343 /nfs/dbraw/zinc/22/23/43/263222343.db2.gz RFIRQHQYDAMNPZ-TZMCWYRMSA-N 1 2 277.755 2.115 20 30 CEEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCCC1 ZINC000298732517 263224562 /nfs/dbraw/zinc/22/45/62/263224562.db2.gz YGPAHCOTNHKLIG-UHFFFAOYSA-N 1 2 295.346 2.224 20 30 CEEDLO CCOC(=O)CC/[NH+]=C/c1cc(OCC)ccc1O ZINC000299275015 263237414 /nfs/dbraw/zinc/23/74/14/263237414.db2.gz XXFNGHKAWOFMOC-XNTDXEJSSA-N 1 2 265.309 2.163 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341896848 263366624 /nfs/dbraw/zinc/36/66/24/263366624.db2.gz 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/nfs/dbraw/zinc/15/46/11/264154611.db2.gz YIYIQZZNQSRQKB-GFCCVEGCSA-N 1 2 292.408 2.254 20 30 CEEDLO Cc1noc(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000331249419 264180021 /nfs/dbraw/zinc/18/00/21/264180021.db2.gz XTPGDEGLGBOTNU-UHFFFAOYSA-N 1 2 289.339 2.267 20 30 CEEDLO COc1ccccc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331340846 264195430 /nfs/dbraw/zinc/19/54/30/264195430.db2.gz KCVDLXHAXKZCLJ-UHFFFAOYSA-N 1 2 292.379 2.111 20 30 CEEDLO COC(=O)c1cc(C[NH+]2CCC(C#N)CC2)cs1 ZINC000331354746 264207342 /nfs/dbraw/zinc/20/73/42/264207342.db2.gz PTOYXTITQHQRNB-UHFFFAOYSA-N 1 2 264.350 2.270 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000331359073 264208888 /nfs/dbraw/zinc/20/88/88/264208888.db2.gz VZSXVQIJDYXJRM-PWSUYJOCSA-N 1 2 261.300 2.046 20 30 CEEDLO N#Cc1ccc(C2([NH2+]Cc3cocn3)CCOCC2)cc1 ZINC000527807106 269987124 /nfs/dbraw/zinc/98/71/24/269987124.db2.gz AWBATJDFSAQRFB-UHFFFAOYSA-N 1 2 283.331 2.342 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000280769332 264461458 /nfs/dbraw/zinc/46/14/58/264461458.db2.gz VJSMOOXYTUWWCW-JSGCOSHPSA-N 1 2 275.352 2.493 20 30 CEEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525885595 265032300 /nfs/dbraw/zinc/03/23/00/265032300.db2.gz PFWWMDUZHKCEAE-LBPRGKRZSA-N 1 2 269.348 2.126 20 30 CEEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525885595 265032301 /nfs/dbraw/zinc/03/23/01/265032301.db2.gz PFWWMDUZHKCEAE-LBPRGKRZSA-N 1 2 269.348 2.126 20 30 CEEDLO C=C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356368073 266102589 /nfs/dbraw/zinc/10/25/89/266102589.db2.gz NAVZRWCWWHFEHR-MNOVXSKESA-N 1 2 261.369 2.329 20 30 CEEDLO C=C[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356368073 266102590 /nfs/dbraw/zinc/10/25/90/266102590.db2.gz NAVZRWCWWHFEHR-MNOVXSKESA-N 1 2 261.369 2.329 20 30 CEEDLO N#CCCCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000361584743 266854479 /nfs/dbraw/zinc/85/44/79/266854479.db2.gz XOUTYXOMFRVKMK-CQSZACIVSA-N 1 2 286.379 2.108 20 30 CEEDLO CCN(CC)c1ccc(Nc2cncc(C#N)n2)c[nH+]1 ZINC000420580182 267062675 /nfs/dbraw/zinc/06/26/75/267062675.db2.gz BZBLFMDAVHBPIG-UHFFFAOYSA-N 1 2 268.324 2.333 20 30 CEEDLO CC[C@@H](F)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000440693558 267188884 /nfs/dbraw/zinc/18/88/84/267188884.db2.gz OJTCIWNRKXTFMT-MRXNPFEDSA-N 1 2 275.371 2.424 20 30 CEEDLO CC[C@@H](F)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000440693558 267188886 /nfs/dbraw/zinc/18/88/86/267188886.db2.gz OJTCIWNRKXTFMT-MRXNPFEDSA-N 1 2 275.371 2.424 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459424537 267203738 /nfs/dbraw/zinc/20/37/38/267203738.db2.gz ABEQRBPMXDYWQC-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459424537 267203742 /nfs/dbraw/zinc/20/37/42/267203742.db2.gz ABEQRBPMXDYWQC-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[C@H](NC(=O)c1cc(C#N)oc1C)c1[nH]cc[nH+]1 ZINC000436103076 267220470 /nfs/dbraw/zinc/22/04/70/267220470.db2.gz MTDTZPFHJCZCFZ-NSHDSACASA-N 1 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/nfs/dbraw/zinc/00/34/77/279003477.db2.gz YXXIEEBTEJTUQV-UHFFFAOYSA-N 1 2 256.284 2.223 20 30 CEEDLO Cc1nc(C)c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000330255413 279073637 /nfs/dbraw/zinc/07/36/37/279073637.db2.gz PPRSFRHVOILXAV-JTQLQIEISA-N 1 2 276.365 2.276 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1F ZINC000192060502 280179275 /nfs/dbraw/zinc/17/92/75/280179275.db2.gz LHSXJAIOQHOSDN-LBPRGKRZSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1F ZINC000192060502 280179277 /nfs/dbraw/zinc/17/92/77/280179277.db2.gz LHSXJAIOQHOSDN-LBPRGKRZSA-N 1 2 288.244 2.196 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCOC2)O1 ZINC000376671647 288213617 /nfs/dbraw/zinc/21/36/17/288213617.db2.gz KZLKPOHGVVHGFG-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCOC2)O1 ZINC000376671647 288213618 /nfs/dbraw/zinc/21/36/18/288213618.db2.gz KZLKPOHGVVHGFG-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000334565306 294800088 /nfs/dbraw/zinc/80/00/88/294800088.db2.gz XOMOWVKWEBELKP-OAHLLOKOSA-N 1 2 287.338 2.167 20 30 CEEDLO CCn1cc(C[N@H+](C)Cc2ccc(C#N)cc2OC)cn1 ZINC000535045808 298181820 /nfs/dbraw/zinc/18/18/20/298181820.db2.gz SJHHVNVHQRKACC-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO CCn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2OC)cn1 ZINC000535045808 298181823 /nfs/dbraw/zinc/18/18/23/298181823.db2.gz SJHHVNVHQRKACC-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO CCn1cc(C[N@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000536668578 298204070 /nfs/dbraw/zinc/20/40/70/298204070.db2.gz XFRJDXGSVTUNIG-UHFFFAOYSA-N 1 2 260.366 2.468 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nncn2-c2ccccc2)o1 ZINC000174265891 312688524 /nfs/dbraw/zinc/68/85/24/312688524.db2.gz OBKUBOASHRODRQ-UHFFFAOYSA-N 1 2 279.303 2.022 20 30 CEEDLO C[C@@H](C#N)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000580306727 327776909 /nfs/dbraw/zinc/77/69/09/327776909.db2.gz ZIAJDLLEZNKBOT-JSGCOSHPSA-N 1 2 282.347 2.208 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000552239232 313609958 /nfs/dbraw/zinc/60/99/58/313609958.db2.gz QCUFFBACMJHPDF-UHFFFAOYSA-N 1 2 295.346 2.047 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)Nc1scc(C)c1C#N ZINC000568644349 313964909 /nfs/dbraw/zinc/96/49/09/313964909.db2.gz GJABQOCRGBYEPJ-UHFFFAOYSA-N 1 2 289.364 2.466 20 30 CEEDLO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(C)no2)cc1C#N ZINC000576118330 314243841 /nfs/dbraw/zinc/24/38/41/314243841.db2.gz GJNDYAZWRMTVOJ-JTQLQIEISA-N 1 2 286.335 2.451 20 30 CEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)cc1C#N ZINC000576118330 314243842 /nfs/dbraw/zinc/24/38/42/314243842.db2.gz GJNDYAZWRMTVOJ-JTQLQIEISA-N 1 2 286.335 2.451 20 30 CEEDLO COC(=O)c1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)n1 ZINC000576480482 314281032 /nfs/dbraw/zinc/28/10/32/314281032.db2.gz WMVKTZJYRUHKJB-SKDRFNHKSA-N 1 2 297.318 2.054 20 30 CEEDLO CNC(=O)COc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185746671 327843925 /nfs/dbraw/zinc/84/39/25/327843925.db2.gz LHNOJBRUWBDWNQ-GXTWGEPZSA-N 1 2 287.363 2.306 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364951028 327892112 /nfs/dbraw/zinc/89/21/12/327892112.db2.gz POUUEUJCUYYIIC-OLZOCXBDSA-N 1 2 261.369 2.307 20 30 CEEDLO CC#CCN(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000338826802 327990744 /nfs/dbraw/zinc/99/07/44/327990744.db2.gz DVKOKTZFHVQJFL-UHFFFAOYSA-N 1 2 252.321 2.307 20 30 CEEDLO N#CCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000411758170 328098628 /nfs/dbraw/zinc/09/86/28/328098628.db2.gz NEGGRXTULDBFNA-NSHDSACASA-N 1 2 287.132 2.125 20 30 CEEDLO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000571430428 328121685 /nfs/dbraw/zinc/12/16/85/328121685.db2.gz NGPWJKIERSNARQ-QJPTWQEYSA-N 1 2 252.358 2.389 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000266943381 328170761 /nfs/dbraw/zinc/17/07/61/328170761.db2.gz RVERLHWKDIKVAL-LBPRGKRZSA-N 1 2 277.343 2.066 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000266943381 328170763 /nfs/dbraw/zinc/17/07/63/328170763.db2.gz RVERLHWKDIKVAL-LBPRGKRZSA-N 1 2 277.343 2.066 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](O)c1cc(F)ccc1F ZINC000267034210 328171983 /nfs/dbraw/zinc/17/19/83/328171983.db2.gz BPZAMBUEJZQQAW-ZDUSSCGKSA-N 1 2 254.280 2.234 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](O)c1cc(F)ccc1F ZINC000267034210 328171985 /nfs/dbraw/zinc/17/19/85/328171985.db2.gz BPZAMBUEJZQQAW-ZDUSSCGKSA-N 1 2 254.280 2.234 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000274125844 328208389 /nfs/dbraw/zinc/20/83/89/328208389.db2.gz HPFYBHAXUSNUAI-UHFFFAOYSA-N 1 2 281.359 2.031 20 30 CEEDLO C#CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000274125844 328208391 /nfs/dbraw/zinc/20/83/91/328208391.db2.gz HPFYBHAXUSNUAI-UHFFFAOYSA-N 1 2 281.359 2.031 20 30 CEEDLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000278612355 328228370 /nfs/dbraw/zinc/22/83/70/328228370.db2.gz MQGDAZIAGWSRMP-VHSXEESVSA-N 1 2 254.284 2.402 20 30 CEEDLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000278612355 328228371 /nfs/dbraw/zinc/22/83/71/328228371.db2.gz MQGDAZIAGWSRMP-VHSXEESVSA-N 1 2 254.284 2.402 20 30 CEEDLO Cc1c(C[N@H+](C)Cc2cccc(C#N)c2F)cnn1C ZINC000580400261 322314849 /nfs/dbraw/zinc/31/48/49/322314849.db2.gz JAJBRIZBIODVKX-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO Cc1c(C[N@@H+](C)Cc2cccc(C#N)c2F)cnn1C ZINC000580400261 322314851 /nfs/dbraw/zinc/31/48/51/322314851.db2.gz JAJBRIZBIODVKX-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO CN1CC[N@H+](C)[C@@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000581041795 322364600 /nfs/dbraw/zinc/36/46/00/322364600.db2.gz BDBJIEWRNMYJPA-NSHDSACASA-N 1 2 294.349 2.154 20 30 CEEDLO CN1CC[N@@H+](C)[C@@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000581041795 322364602 /nfs/dbraw/zinc/36/46/02/322364602.db2.gz BDBJIEWRNMYJPA-NSHDSACASA-N 1 2 294.349 2.154 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000535080475 328385387 /nfs/dbraw/zinc/38/53/87/328385387.db2.gz XURMKDWQDBUJSJ-LBPRGKRZSA-N 1 2 299.461 2.486 20 30 CEEDLO C=CC[N@H+](Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000535080475 328385389 /nfs/dbraw/zinc/38/53/89/328385389.db2.gz XURMKDWQDBUJSJ-LBPRGKRZSA-N 1 2 299.461 2.486 20 30 CEEDLO C=CCN(CC=C)C(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000530873294 326894436 /nfs/dbraw/zinc/89/44/36/326894436.db2.gz OWVTYQQXCSCGOO-UHFFFAOYSA-N 1 2 297.358 2.452 20 30 CEEDLO CN(C)C(=O)C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000564445137 327077816 /nfs/dbraw/zinc/07/78/16/327077816.db2.gz ZEKPHKWZPZJDOF-HOCLYGCPSA-N 1 2 298.390 2.239 20 30 CEEDLO FC(F)C(F)(F)COCC[NH+]1CC(C(F)(F)F)C1 ZINC000558397634 327090145 /nfs/dbraw/zinc/09/01/45/327090145.db2.gz SBHWHQCBBRCORH-UHFFFAOYSA-N 1 2 283.187 2.398 20 30 CEEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Cl)s1 ZINC000555482959 327243763 /nfs/dbraw/zinc/24/37/63/327243763.db2.gz PBDUSQWYMNFHMK-ZANVPECISA-N 1 2 299.827 2.465 20 30 CEEDLO CO[C@H](C)c1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000583378849 327333925 /nfs/dbraw/zinc/33/39/25/327333925.db2.gz PREARMOMZDNCEH-LLVKDONJSA-N 1 2 278.356 2.293 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000583389135 327339329 /nfs/dbraw/zinc/33/93/29/327339329.db2.gz BZVVGHACSSYLRU-AAEUAGOBSA-N 1 2 275.327 2.213 20 30 CEEDLO COC(=O)c1ccccc1C[NH+]1CCC(C#N)CC1 ZINC000123654425 327376755 /nfs/dbraw/zinc/37/67/55/327376755.db2.gz KANFKLATGNYTHE-UHFFFAOYSA-N 1 2 258.321 2.209 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(=O)c2sccc2[nH]1 ZINC000570683683 327611035 /nfs/dbraw/zinc/61/10/35/327611035.db2.gz COTIMXREOXHPLL-KOLCDFICSA-N 1 2 291.376 2.220 20 30 CEEDLO CC#CCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000361324632 328917323 /nfs/dbraw/zinc/91/73/23/328917323.db2.gz IORJDCGSOVFJNR-UHFFFAOYSA-N 1 2 296.374 2.144 20 30 CEEDLO O=C(C#Cc1ccccc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378524619 329054155 /nfs/dbraw/zinc/05/41/55/329054155.db2.gz VGTTUJSGXOPQMF-AWEZNQCLSA-N 1 2 265.316 2.125 20 30 CEEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185220858 329268748 /nfs/dbraw/zinc/26/87/48/329268748.db2.gz OBHJSQVQCRNWCL-INIZCTEOSA-N 1 2 291.778 2.183 20 30 CEEDLO Clc1cccc(C#CC[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185220858 329268750 /nfs/dbraw/zinc/26/87/50/329268750.db2.gz OBHJSQVQCRNWCL-INIZCTEOSA-N 1 2 291.778 2.183 20 30 CEEDLO N#CCC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000397253352 329347595 /nfs/dbraw/zinc/34/75/95/329347595.db2.gz CKCSDYYIEPDSOR-UHFFFAOYSA-N 1 2 275.327 2.390 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000532959988 330323122 /nfs/dbraw/zinc/32/31/22/330323122.db2.gz DIRIHHQFXQNCKV-UHFFFAOYSA-N 1 2 255.321 2.149 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(CC)o2)nn1 ZINC000424297876 330336489 /nfs/dbraw/zinc/33/64/89/330336489.db2.gz RFPYNWQRQQSHSF-NSHDSACASA-N 1 2 260.341 2.470 20 30 CEEDLO N#CC1(C[NH+]2CCN(c3ccc(F)cn3)CC2)CCC1 ZINC000450692517 330994005 /nfs/dbraw/zinc/99/40/05/330994005.db2.gz MLPCFYAJXNYXML-UHFFFAOYSA-N 1 2 274.343 2.037 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2cc(C)ccn2)no1 ZINC000450837420 331001965 /nfs/dbraw/zinc/00/19/65/331001965.db2.gz LNSQIYMSNGDPCJ-UHFFFAOYSA-N 1 2 288.351 2.074 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1nc(-c2cc(C)ccn2)no1 ZINC000450837420 331001966 /nfs/dbraw/zinc/00/19/66/331001966.db2.gz LNSQIYMSNGDPCJ-UHFFFAOYSA-N 1 2 288.351 2.074 20 30 CEEDLO C=C(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000163228066 331004769 /nfs/dbraw/zinc/00/47/69/331004769.db2.gz KNOQQUNTKDBJCS-UHFFFAOYSA-N 1 2 288.326 2.387 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000450901043 331005926 /nfs/dbraw/zinc/00/59/26/331005926.db2.gz VJMYJWGZQVZSQB-AWEZNQCLSA-N 1 2 284.363 2.008 20 30 CEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](F)C1 ZINC000451202010 331020332 /nfs/dbraw/zinc/02/03/32/331020332.db2.gz WEGHFLFFGWYCLC-WJEHIRDRSA-N 1 2 295.402 2.350 20 30 CEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](F)C1 ZINC000451202010 331020333 /nfs/dbraw/zinc/02/03/33/331020333.db2.gz WEGHFLFFGWYCLC-WJEHIRDRSA-N 1 2 295.402 2.350 20 30 CEEDLO C=CCSCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454431471 331146004 /nfs/dbraw/zinc/14/60/04/331146004.db2.gz MSPKMUULFRBIKL-QWRGUYRKSA-N 1 2 280.397 2.107 20 30 CEEDLO C=CCC1(CNC(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000454617574 331149910 /nfs/dbraw/zinc/14/99/10/331149910.db2.gz LMMZPNJJFGEOGF-UHFFFAOYSA-N 1 2 276.384 2.319 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000455359283 331166944 /nfs/dbraw/zinc/16/69/44/331166944.db2.gz AJOYRHOVZWYFPG-UHFFFAOYSA-N 1 2 272.352 2.346 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456441058 331192747 /nfs/dbraw/zinc/19/27/47/331192747.db2.gz ZCFAHEQJFOEJBE-NWDGAFQWSA-N 1 2 270.336 2.306 20 30 CEEDLO COc1nc(C)cc(C)c1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459453730 331282025 /nfs/dbraw/zinc/28/20/25/331282025.db2.gz CMXQARNSKZWCIM-JSGCOSHPSA-N 1 2 259.353 2.489 20 30 CEEDLO COc1c(C)cnc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C ZINC000459472438 331283480 /nfs/dbraw/zinc/28/34/80/331283480.db2.gz WXLNKGBLUIYJGC-CHWSQXEVSA-N 1 2 259.353 2.489 20 30 CEEDLO COc1c(C)c[nH+]c(CN[C@@H]2CCC[C@@H]2C#N)c1C ZINC000459472438 331283481 /nfs/dbraw/zinc/28/34/81/331283481.db2.gz WXLNKGBLUIYJGC-CHWSQXEVSA-N 1 2 259.353 2.489 20 30 CEEDLO C=CCN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000488900121 332032774 /nfs/dbraw/zinc/03/27/74/332032774.db2.gz MKCXAVAVFBJKHP-UHFFFAOYSA-N 1 2 270.336 2.200 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000490739376 332110210 /nfs/dbraw/zinc/11/02/10/332110210.db2.gz HYPZCESXWUNYJU-SECBINFHSA-N 1 2 291.301 2.103 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(SC)cc1 ZINC000490866763 332122139 /nfs/dbraw/zinc/12/21/39/332122139.db2.gz UCPIJGSGTZEOHX-UHFFFAOYSA-N 1 2 262.378 2.302 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(SC)cc1 ZINC000490866763 332122140 /nfs/dbraw/zinc/12/21/40/332122140.db2.gz UCPIJGSGTZEOHX-UHFFFAOYSA-N 1 2 262.378 2.302 20 30 CEEDLO C#CCN(CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491037442 332140954 /nfs/dbraw/zinc/14/09/54/332140954.db2.gz DLVHHDOAPPKPTE-UHFFFAOYSA-N 1 2 269.348 2.217 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000491219951 332168200 /nfs/dbraw/zinc/16/82/00/332168200.db2.gz IRZIEZYQTWNKQV-INIZCTEOSA-N 1 2 293.370 2.108 20 30 CEEDLO C#C[C@H](CC)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491240729 332172086 /nfs/dbraw/zinc/17/20/86/332172086.db2.gz CHIXOBXPRSCPDJ-CYBMUJFWSA-N 1 2 253.305 2.014 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000491242731 332173114 /nfs/dbraw/zinc/17/31/14/332173114.db2.gz RXZXUYXAHQEZPX-UHFFFAOYSA-N 1 2 298.308 2.143 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000491242731 332173115 /nfs/dbraw/zinc/17/31/15/332173115.db2.gz RXZXUYXAHQEZPX-UHFFFAOYSA-N 1 2 298.308 2.143 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000491294812 332183144 /nfs/dbraw/zinc/18/31/44/332183144.db2.gz DEHFGQQEWBFFGU-MRXNPFEDSA-N 1 2 266.344 2.377 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000491294812 332183146 /nfs/dbraw/zinc/18/31/46/332183146.db2.gz DEHFGQQEWBFFGU-MRXNPFEDSA-N 1 2 266.344 2.377 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491370901 332198483 /nfs/dbraw/zinc/19/84/83/332198483.db2.gz BRVITOLSAZYUAH-NSHDSACASA-N 1 2 266.304 2.062 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491370901 332198485 /nfs/dbraw/zinc/19/84/85/332198485.db2.gz BRVITOLSAZYUAH-NSHDSACASA-N 1 2 266.304 2.062 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491370899 332198544 /nfs/dbraw/zinc/19/85/44/332198544.db2.gz BRVITOLSAZYUAH-LLVKDONJSA-N 1 2 266.304 2.062 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491370899 332198545 /nfs/dbraw/zinc/19/85/45/332198545.db2.gz BRVITOLSAZYUAH-LLVKDONJSA-N 1 2 266.304 2.062 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000491441957 332212706 /nfs/dbraw/zinc/21/27/06/332212706.db2.gz YNUYIQHFDZNQNO-CYBMUJFWSA-N 1 2 281.302 2.165 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000491441957 332212707 /nfs/dbraw/zinc/21/27/07/332212707.db2.gz YNUYIQHFDZNQNO-CYBMUJFWSA-N 1 2 281.302 2.165 20 30 CEEDLO N#CCN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000491533564 332231123 /nfs/dbraw/zinc/23/11/23/332231123.db2.gz QOFWRJWAVQRYMF-FPYGCLRLSA-N 1 2 292.342 2.400 20 30 CEEDLO C#CCN(C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C1CCCC1 ZINC000491547066 332235818 /nfs/dbraw/zinc/23/58/18/332235818.db2.gz YKDPCIKYGKNHPW-GXTWGEPZSA-N 1 2 286.379 2.476 20 30 CEEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000491619388 332245518 /nfs/dbraw/zinc/24/55/18/332245518.db2.gz DZLWGSIEEZFKAA-LLVKDONJSA-N 1 2 277.393 2.160 20 30 CEEDLO C#C[C@@H](CC)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491639592 332259830 /nfs/dbraw/zinc/25/98/30/332259830.db2.gz WVHSZIVBTINWHI-HNNXBMFYSA-N 1 2 281.359 2.002 20 30 CEEDLO C#CC[N@@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000491641808 332261327 /nfs/dbraw/zinc/26/13/27/332261327.db2.gz TYVFBOTVTOOCCX-UHFFFAOYSA-N 1 2 253.349 2.191 20 30 CEEDLO C#CC[N@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000491641808 332261329 /nfs/dbraw/zinc/26/13/29/332261329.db2.gz TYVFBOTVTOOCCX-UHFFFAOYSA-N 1 2 253.349 2.191 20 30 CEEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C(C)(C)C ZINC000491669732 332277369 /nfs/dbraw/zinc/27/73/69/332277369.db2.gz URHSCADONADKTE-TUAOUCFPSA-N 1 2 274.368 2.236 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)cc1 ZINC000491682128 332284852 /nfs/dbraw/zinc/28/48/52/332284852.db2.gz PUKMWSWGRSADEU-HNNXBMFYSA-N 1 2 259.280 2.375 20 30 CEEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000491681694 332285004 /nfs/dbraw/zinc/28/50/04/332285004.db2.gz NYFGGZRMEFXYOF-OAHLLOKOSA-N 1 2 268.360 2.199 20 30 CEEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)C1CC1 ZINC000491734824 332315574 /nfs/dbraw/zinc/31/55/74/332315574.db2.gz BZZDSUQWSOHJJR-UHFFFAOYSA-N 1 2 266.348 2.080 20 30 CEEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2)n1C)C1CC1 ZINC000491734824 332315575 /nfs/dbraw/zinc/31/55/75/332315575.db2.gz BZZDSUQWSOHJJR-UHFFFAOYSA-N 1 2 266.348 2.080 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2oc(CC)nc2C)n1 ZINC000491763752 332332479 /nfs/dbraw/zinc/33/24/79/332332479.db2.gz BUBRRKHIQIQUHD-UHFFFAOYSA-N 1 2 286.379 2.397 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2oc(CC)nc2C)n1 ZINC000491763752 332332480 /nfs/dbraw/zinc/33/24/80/332332480.db2.gz BUBRRKHIQIQUHD-UHFFFAOYSA-N 1 2 286.379 2.397 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000491779063 332343912 /nfs/dbraw/zinc/34/39/12/332343912.db2.gz YXRZKFHWVZRVAE-SNVBAGLBSA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000491779063 332343914 /nfs/dbraw/zinc/34/39/14/332343914.db2.gz YXRZKFHWVZRVAE-SNVBAGLBSA-N 1 2 286.291 2.098 20 30 CEEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000492856284 332416251 /nfs/dbraw/zinc/41/62/51/332416251.db2.gz BNMFHRQDWXRJIX-URWSZGRFSA-N 1 2 286.722 2.457 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000493722103 332451317 /nfs/dbraw/zinc/45/13/17/332451317.db2.gz LSNGQUBLRUKXMX-WVRJYTFGSA-N 1 2 296.374 2.141 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000494720716 332484447 /nfs/dbraw/zinc/48/44/47/332484447.db2.gz IXVRYGWZJRJGKU-AWEZNQCLSA-N 1 2 288.395 2.398 20 30 CEEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000575759491 335112962 /nfs/dbraw/zinc/11/29/62/335112962.db2.gz RXYCIVURZCFXSA-UHFFFAOYSA-N 1 2 293.317 2.182 20 30 CEEDLO C[C@@H](CC(=O)NCC(C)(C)CCC#N)n1cc[nH+]c1 ZINC000568752865 334839326 /nfs/dbraw/zinc/83/93/26/334839326.db2.gz HOTJVTNYZLSPFX-LBPRGKRZSA-N 1 2 262.357 2.280 20 30 CEEDLO CSc1ccsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575805811 335117349 /nfs/dbraw/zinc/11/73/49/335117349.db2.gz OPVWEPNWFGOALN-GFCCVEGCSA-N 1 2 283.422 2.044 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000517170960 333094048 /nfs/dbraw/zinc/09/40/48/333094048.db2.gz LNEIQCRXDVQZGN-OAHLLOKOSA-N 1 2 285.391 2.116 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000192226527 333233146 /nfs/dbraw/zinc/23/31/46/333233146.db2.gz RITXZYDYITWBBN-INIZCTEOSA-N 1 2 272.392 2.107 20 30 CEEDLO C#CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000192226527 333233148 /nfs/dbraw/zinc/23/31/48/333233148.db2.gz RITXZYDYITWBBN-INIZCTEOSA-N 1 2 272.392 2.107 20 30 CEEDLO COC(=O)c1coc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000545926978 334006954 /nfs/dbraw/zinc/00/69/54/334006954.db2.gz CPMOEVHAQJEQDO-UHFFFAOYSA-N 1 2 271.276 2.139 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134071281 334079306 /nfs/dbraw/zinc/07/93/06/334079306.db2.gz TUVVRUZXZLSUOU-UHFFFAOYSA-N 1 2 288.366 2.384 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134071281 334079308 /nfs/dbraw/zinc/07/93/08/334079308.db2.gz TUVVRUZXZLSUOU-UHFFFAOYSA-N 1 2 288.366 2.384 20 30 CEEDLO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H](C)C#N ZINC000549377940 334191734 /nfs/dbraw/zinc/19/17/34/334191734.db2.gz NFBZTUXRFKSQMG-LLVKDONJSA-N 1 2 269.352 2.133 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611791 334199442 /nfs/dbraw/zinc/19/94/42/334199442.db2.gz GPTIHNZWAHXJHB-KWCYVHTRSA-N 1 2 267.336 2.176 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1F ZINC000245786964 334219464 /nfs/dbraw/zinc/21/94/64/334219464.db2.gz NAIDWYHDWDHONW-QWHCGFSZSA-N 1 2 291.370 2.312 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1F ZINC000245786964 334219465 /nfs/dbraw/zinc/21/94/65/334219465.db2.gz NAIDWYHDWDHONW-QWHCGFSZSA-N 1 2 291.370 2.312 20 30 CEEDLO CCOCCOc1cc(C)ccc1C[NH2+]CCC#N ZINC000565946610 334610758 /nfs/dbraw/zinc/61/07/58/334610758.db2.gz YYMFMOWLQGHTOD-UHFFFAOYSA-N 1 2 262.353 2.414 20 30 CEEDLO CCn1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2ccccc21 ZINC000576403139 335199528 /nfs/dbraw/zinc/19/95/28/335199528.db2.gz QLHXFADRCWPVOZ-KRWDZBQOSA-N 1 2 298.390 2.235 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000576409328 335200412 /nfs/dbraw/zinc/20/04/12/335200412.db2.gz PRPUZQZUCISLGH-AAEUAGOBSA-N 1 2 270.336 2.167 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2sccc2c1 ZINC000576586958 335223054 /nfs/dbraw/zinc/22/30/54/335223054.db2.gz CKYQPOBBXROQNC-HNNXBMFYSA-N 1 2 287.388 2.475 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363773101 523527928 /nfs/dbraw/zinc/52/79/28/523527928.db2.gz KOBUTKQBDMXDLC-INIZCTEOSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363773101 523527941 /nfs/dbraw/zinc/52/79/41/523527941.db2.gz KOBUTKQBDMXDLC-INIZCTEOSA-N 1 2 272.348 2.178 20 30 CEEDLO N#CC1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000068816819 526440391 /nfs/dbraw/zinc/44/03/91/526440391.db2.gz KFMHMKDYNVCEMU-OAHLLOKOSA-N 1 2 269.348 2.027 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000367110504 527029308 /nfs/dbraw/zinc/02/93/08/527029308.db2.gz XPAIQIUKDDHNIF-YOEHRIQHSA-N 1 2 288.366 2.003 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000367110504 527029312 /nfs/dbraw/zinc/02/93/12/527029312.db2.gz XPAIQIUKDDHNIF-YOEHRIQHSA-N 1 2 288.366 2.003 20 30 CEEDLO CCOC(=O)c1coc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000353440935 528324323 /nfs/dbraw/zinc/32/43/23/528324323.db2.gz QZBLFQIOVCXKKN-LLVKDONJSA-N 1 2 264.325 2.438 20 30 CEEDLO CCOC(=O)c1coc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000353440935 528324326 /nfs/dbraw/zinc/32/43/26/528324326.db2.gz QZBLFQIOVCXKKN-LLVKDONJSA-N 1 2 264.325 2.438 20 30 CEEDLO CCn1ccc(C[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000414479545 529170777 /nfs/dbraw/zinc/17/07/77/529170777.db2.gz IUEIYFJIACRMHD-UHFFFAOYSA-N 1 2 258.300 2.204 20 30 CEEDLO CCCCCCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000726986242 574442663 /nfs/dbraw/zinc/44/26/63/574442663.db2.gz ZTFGSCCLIGNJQI-MRXNPFEDSA-N 1 2 297.487 2.489 20 30 CEEDLO C#Cc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nc1 ZINC000728857710 574472383 /nfs/dbraw/zinc/47/23/83/574472383.db2.gz TUGPUCNZHFIHQW-UHFFFAOYSA-N 1 2 276.299 2.500 20 30 CEEDLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000746663179 574509409 /nfs/dbraw/zinc/50/94/09/574509409.db2.gz OPUVUMOPXKIYLN-HZMBPMFUSA-N 1 2 250.317 2.259 20 30 CEEDLO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000746663179 574509410 /nfs/dbraw/zinc/50/94/10/574509410.db2.gz OPUVUMOPXKIYLN-HZMBPMFUSA-N 1 2 250.317 2.259 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1oc2ccccc2c1C ZINC000734446503 574714084 /nfs/dbraw/zinc/71/40/84/574714084.db2.gz UVOVVXBCRBJHDT-HNNXBMFYSA-N 1 2 296.370 2.455 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1oc2ccccc2c1C ZINC000734446503 574714087 /nfs/dbraw/zinc/71/40/87/574714087.db2.gz UVOVVXBCRBJHDT-HNNXBMFYSA-N 1 2 296.370 2.455 20 30 CEEDLO C=CC[N@@H+](Cn1ncn(CCCOC)c1=S)C(C)C ZINC000738029264 574849865 /nfs/dbraw/zinc/84/98/65/574849865.db2.gz LUZDWAMNIHOFFR-UHFFFAOYSA-N 1 2 284.429 2.304 20 30 CEEDLO C=CC[N@H+](Cn1ncn(CCCOC)c1=S)C(C)C ZINC000738029264 574849866 /nfs/dbraw/zinc/84/98/66/574849866.db2.gz LUZDWAMNIHOFFR-UHFFFAOYSA-N 1 2 284.429 2.304 20 30 CEEDLO C=CCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000740243529 574950086 /nfs/dbraw/zinc/95/00/86/574950086.db2.gz NSRPBBKNNRKZFF-MRXNPFEDSA-N 1 2 289.375 2.304 20 30 CEEDLO CNC(=O)c1cccc(CC/[NH+]=C/c2cccc(O)c2O)c1 ZINC000740616159 574961386 /nfs/dbraw/zinc/96/13/86/574961386.db2.gz JQWCFBCZEBFRHW-YBFXNURJSA-N 1 2 298.342 2.119 20 30 CEEDLO CCO[NH+]=C(C)c1c(F)cccc1N1CCOCC1 ZINC000741162984 574977899 /nfs/dbraw/zinc/97/78/99/574977899.db2.gz GIWGNPAYLKIOOI-UHFFFAOYSA-N 1 2 266.316 2.423 20 30 CEEDLO COC(=O)[C@@H](C/[NH+]=C/c1ccc(O)c(O)c1O)CC(C)C ZINC000741463680 574987845 /nfs/dbraw/zinc/98/78/45/574987845.db2.gz HKEGBTLPLHCDNY-PFJSLNBISA-N 1 2 295.335 2.058 20 30 CEEDLO C[C@@H]1C(=O)N(C[NH+]2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC000743359306 575050911 /nfs/dbraw/zinc/05/09/11/575050911.db2.gz ZQIKBNUNPVGFBC-BBRMVZONSA-N 1 2 283.375 2.399 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc2c1CCCC2 ZINC000747633912 575172830 /nfs/dbraw/zinc/17/28/30/575172830.db2.gz ZIBONACUNKPRQK-UHFFFAOYSA-N 1 2 297.362 2.392 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(O)c1C ZINC000747946020 575176945 /nfs/dbraw/zinc/17/69/45/575176945.db2.gz COLASBIFAJIZBO-AWEZNQCLSA-N 1 2 272.348 2.045 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(O)c1C ZINC000747946020 575176946 /nfs/dbraw/zinc/17/69/46/575176946.db2.gz COLASBIFAJIZBO-AWEZNQCLSA-N 1 2 272.348 2.045 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1C ZINC000752302153 575307902 /nfs/dbraw/zinc/30/79/02/575307902.db2.gz YLHCBXICXIWOMH-FZMZJTMJSA-N 1 2 258.321 2.257 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1C ZINC000752302153 575307903 /nfs/dbraw/zinc/30/79/03/575307903.db2.gz YLHCBXICXIWOMH-FZMZJTMJSA-N 1 2 258.321 2.257 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2oc(CC)cc2C)C1 ZINC000957136944 612993336 /nfs/dbraw/zinc/99/33/36/612993336.db2.gz NGRBYNIMFPIVLQ-UHFFFAOYSA-N 1 2 288.391 2.320 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)ccc(C)c2F)CC1 ZINC000981872913 613156391 /nfs/dbraw/zinc/15/63/91/613156391.db2.gz CUTNARUOFCMZIW-UHFFFAOYSA-N 1 2 292.329 2.054 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)ccc(C)c2F)CC1 ZINC000981872913 613156392 /nfs/dbraw/zinc/15/63/92/613156392.db2.gz CUTNARUOFCMZIW-UHFFFAOYSA-N 1 2 292.329 2.054 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn(C(C)C)n2)C1 ZINC000952389863 613296988 /nfs/dbraw/zinc/29/69/88/613296988.db2.gz MDSOAQGIZOPKIF-UHFFFAOYSA-N 1 2 290.411 2.186 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(C)n2)C1 ZINC000951365238 613297258 /nfs/dbraw/zinc/29/72/58/613297258.db2.gz LFALAFMZAIGTCZ-UHFFFAOYSA-N 1 2 279.409 2.174 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncc(CC)c2)C1 ZINC000950880168 613297405 /nfs/dbraw/zinc/29/74/05/613297405.db2.gz XNKWARQRKXJUAC-UHFFFAOYSA-N 1 2 287.407 2.366 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)C2CCCCC2)CC1 ZINC000957980689 613318549 /nfs/dbraw/zinc/31/85/49/613318549.db2.gz PLEZIDVEZGCZJX-MRXNPFEDSA-N 1 2 294.439 2.302 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000951188919 613320022 /nfs/dbraw/zinc/32/00/22/613320022.db2.gz SNAHHHRCOIRTRV-UHFFFAOYSA-N 1 2 277.368 2.132 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)noc2C)C1 ZINC000969271960 613371823 /nfs/dbraw/zinc/37/18/23/613371823.db2.gz DCVWTQCPBLRDPU-SECBINFHSA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(CC)on2)C1 ZINC000970757536 613372440 /nfs/dbraw/zinc/37/24/40/613372440.db2.gz QYGNGIWPUMOLBG-JTQLQIEISA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccn2CC)C1 ZINC000970880301 613372475 /nfs/dbraw/zinc/37/24/75/613372475.db2.gz LOYGLUWDLJPZMG-LBPRGKRZSA-N 1 2 295.814 2.311 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ocnc2CC)C1 ZINC000970396810 613372605 /nfs/dbraw/zinc/37/26/05/613372605.db2.gz XGTAPGJBPHDRQY-JTQLQIEISA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000965068749 613377933 /nfs/dbraw/zinc/37/79/33/613377933.db2.gz UDDNTPZCMFKNFX-GXFFZTMASA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000965068749 613377934 /nfs/dbraw/zinc/37/79/34/613377934.db2.gz UDDNTPZCMFKNFX-GXFFZTMASA-N 1 2 281.787 2.207 20 30 CEEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2scnc2CC)C1 ZINC000950473753 613481833 /nfs/dbraw/zinc/48/18/33/613481833.db2.gz AXNCYOPICNVJBQ-UHFFFAOYSA-N 1 2 293.436 2.428 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC000952428828 613655533 /nfs/dbraw/zinc/65/55/33/613655533.db2.gz BKLSDPGEWGXEHM-HOTGVXAUSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 ZINC000957801596 613707098 /nfs/dbraw/zinc/70/70/98/613707098.db2.gz XQJRFBFVCROLSJ-UHFFFAOYSA-N 1 2 288.313 2.049 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000949999248 613709434 /nfs/dbraw/zinc/70/94/34/613709434.db2.gz JGCRXTQFNJAACO-UHFFFAOYSA-N 1 2 272.392 2.176 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)c2c(C)noc2C)CC1 ZINC000951758876 613710737 /nfs/dbraw/zinc/71/07/37/613710737.db2.gz YVKZLGBAGADCII-AWEZNQCLSA-N 1 2 291.395 2.115 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC000957322608 613712120 /nfs/dbraw/zinc/71/21/20/613712120.db2.gz VOWHMCPVUPUBPL-CYBMUJFWSA-N 1 2 278.421 2.490 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000957387276 613712125 /nfs/dbraw/zinc/71/21/25/613712125.db2.gz PBSIWDRATVGLHP-CQSZACIVSA-N 1 2 258.365 2.120 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccccc2C)CC1 ZINC000957747509 613712480 /nfs/dbraw/zinc/71/24/80/613712480.db2.gz SEDZQDNEILSKDA-OAHLLOKOSA-N 1 2 272.392 2.429 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3c(C)cccn3c2)CC1 ZINC000957309226 613714877 /nfs/dbraw/zinc/71/48/77/613714877.db2.gz JSSSQTWQUCUVRF-UHFFFAOYSA-N 1 2 283.375 2.192 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000950814745 613716232 /nfs/dbraw/zinc/71/62/32/613716232.db2.gz ZGPBFGJAXNHVJP-UHFFFAOYSA-N 1 2 269.348 2.112 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000950644580 613717044 /nfs/dbraw/zinc/71/70/44/613717044.db2.gz IPOJUKXNCQUZII-UHFFFAOYSA-N 1 2 269.348 2.112 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccccc3c2C)CC1 ZINC000949350319 613718119 /nfs/dbraw/zinc/71/81/19/613718119.db2.gz DOGJTPUVOCKNME-UHFFFAOYSA-N 1 2 295.386 2.487 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001024453380 625561577 /nfs/dbraw/zinc/56/15/77/625561577.db2.gz IROAPMZHKVCJBN-ZDUSSCGKSA-N 1 2 281.787 2.352 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001024453380 625561585 /nfs/dbraw/zinc/56/15/85/625561585.db2.gz IROAPMZHKVCJBN-ZDUSSCGKSA-N 1 2 281.787 2.352 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccsn1 ZINC001024502092 625586946 /nfs/dbraw/zinc/58/69/46/625586946.db2.gz JZACLNJPOSLVST-NSHDSACASA-N 1 2 299.827 2.480 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccsn1 ZINC001024502092 625586949 /nfs/dbraw/zinc/58/69/49/625586949.db2.gz JZACLNJPOSLVST-NSHDSACASA-N 1 2 299.827 2.480 20 30 CEEDLO Cc1cc(C)c(C(=O)NCC#C[C@@H]2CCCCO2)c(C)[nH+]1 ZINC000891110139 623181785 /nfs/dbraw/zinc/18/17/85/623181785.db2.gz OLJHLBBDEGHFIY-HNNXBMFYSA-N 1 2 286.375 2.309 20 30 CEEDLO C=CC(C)(C)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000891266377 623342852 /nfs/dbraw/zinc/34/28/52/623342852.db2.gz AATIEJBOOGOLML-VIFPVBQESA-N 1 2 275.274 2.457 20 30 CEEDLO C=CCCCN(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000891428915 623631546 /nfs/dbraw/zinc/63/15/46/623631546.db2.gz HBTOTCZSOQBNOS-UHFFFAOYSA-N 1 2 264.373 2.271 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1cn(C)nc1Br ZINC000934459193 624507596 /nfs/dbraw/zinc/50/75/96/624507596.db2.gz AYKVRUZCSDAPIG-JTQLQIEISA-N 1 2 270.174 2.333 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1cn(C)nc1Br ZINC000934459193 624507604 /nfs/dbraw/zinc/50/76/04/624507604.db2.gz AYKVRUZCSDAPIG-JTQLQIEISA-N 1 2 270.174 2.333 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000934510856 624550285 /nfs/dbraw/zinc/55/02/85/624550285.db2.gz DZKPLAOFMWHBOV-SMDDNHRTSA-N 1 2 265.303 2.486 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000934510856 624550292 /nfs/dbraw/zinc/55/02/92/624550292.db2.gz DZKPLAOFMWHBOV-SMDDNHRTSA-N 1 2 265.303 2.486 20 30 CEEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001024789072 625815028 /nfs/dbraw/zinc/81/50/28/625815028.db2.gz RWFYXATZPRHUFJ-ZDUSSCGKSA-N 1 2 298.390 2.333 20 30 CEEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001024789072 625815130 /nfs/dbraw/zinc/81/51/30/625815130.db2.gz RWFYXATZPRHUFJ-ZDUSSCGKSA-N 1 2 298.390 2.333 20 30 CEEDLO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000892526450 625906132 /nfs/dbraw/zinc/90/61/32/625906132.db2.gz LAEHBMWZOLQERK-ZDUSSCGKSA-N 1 2 282.347 2.190 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820646724 634486661 /nfs/dbraw/zinc/48/66/61/634486661.db2.gz IZKPRVRHSQGAKL-KFWWJZLASA-N 1 2 288.395 2.278 20 30 CEEDLO Cc1ccc(NC(=O)N(C)[C@H](C)CC#N)c(N(C)C)[nH+]1 ZINC000162202531 627322055 /nfs/dbraw/zinc/32/20/55/627322055.db2.gz TZMWUUSOCORWJT-LLVKDONJSA-N 1 2 275.356 2.222 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018130065 627376193 /nfs/dbraw/zinc/37/61/93/627376193.db2.gz PADGRNIBJVURHT-QSJFSLAZSA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018130065 627376196 /nfs/dbraw/zinc/37/61/96/627376196.db2.gz PADGRNIBJVURHT-QSJFSLAZSA-N 1 2 274.408 2.121 20 30 CEEDLO C[C@@H]1CCN(c2ccc(C#N)cc2CO)C[C@@H]1n1cc[nH+]c1 ZINC000892910278 627847274 /nfs/dbraw/zinc/84/72/74/627847274.db2.gz QHKDSLPQZAGJHY-DYVFJYSZSA-N 1 2 296.374 2.335 20 30 CEEDLO NC(Cc1cccnc1)=[NH+]OCCc1ccc(F)c(F)c1 ZINC000183194481 628178413 /nfs/dbraw/zinc/17/84/13/628178413.db2.gz OHUWMRFEYDYQKU-UHFFFAOYSA-N 1 2 291.301 2.434 20 30 CEEDLO C=C1CC(c2noc(C(C)(C)C[NH+]3CCOCC3)n2)C1 ZINC000924122348 628255243 /nfs/dbraw/zinc/25/52/43/628255243.db2.gz FKZIQIXALSMEHI-UHFFFAOYSA-N 1 2 277.368 2.113 20 30 CEEDLO NC(Cc1cccnc1)=[NH+]OCc1csc(C2CC2)n1 ZINC000092915287 628532322 /nfs/dbraw/zinc/53/23/22/628532322.db2.gz OTIKMUHGDCGARK-UHFFFAOYSA-N 1 2 288.376 2.447 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OCCOC)o1 ZINC000893605858 628784447 /nfs/dbraw/zinc/78/44/47/628784447.db2.gz KPOXRGDOFAFCEZ-LLVKDONJSA-N 1 2 252.314 2.087 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000893605813 628785001 /nfs/dbraw/zinc/78/50/01/628785001.db2.gz KEOUTPBBVNDIOQ-AWEZNQCLSA-N 1 2 287.363 2.289 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932162143 628980579 /nfs/dbraw/zinc/98/05/79/628980579.db2.gz PDUGTGKUSFPGRC-CVEARBPZSA-N 1 2 288.391 2.279 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932162143 628980580 /nfs/dbraw/zinc/98/05/80/628980580.db2.gz PDUGTGKUSFPGRC-CVEARBPZSA-N 1 2 288.391 2.279 20 30 CEEDLO COC(=O)[C@@H]1[C@H](C[N@H+](CCC#N)CCC(C)C)C1(F)F ZINC000894003839 629083701 /nfs/dbraw/zinc/08/37/01/629083701.db2.gz SSSXMNOKIOSLGQ-RYUDHWBXSA-N 1 2 288.338 2.302 20 30 CEEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](CCC#N)CCC(C)C)C1(F)F ZINC000894003839 629083704 /nfs/dbraw/zinc/08/37/04/629083704.db2.gz SSSXMNOKIOSLGQ-RYUDHWBXSA-N 1 2 288.338 2.302 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2noc(C(C)C)n2)cc1 ZINC000067098293 629126210 /nfs/dbraw/zinc/12/62/10/629126210.db2.gz GUOOLLYMCQOQJK-UHFFFAOYSA-N 1 2 290.323 2.039 20 30 CEEDLO Cc1nnc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000894101804 629129869 /nfs/dbraw/zinc/12/98/69/629129869.db2.gz JPUMKIODRUNXFP-CYBMUJFWSA-N 1 2 270.361 2.495 20 30 CEEDLO Cc1cc(F)c(C#N)c(NCCc2cn(C)c[nH+]2)c1 ZINC000894151080 629172551 /nfs/dbraw/zinc/17/25/51/629172551.db2.gz KNLIZKJNIJHWEV-UHFFFAOYSA-N 1 2 258.300 2.394 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(=O)OCC ZINC000877670881 629209000 /nfs/dbraw/zinc/20/90/00/629209000.db2.gz BXQHNZQQNBJENL-UTUOFQBUSA-N 1 2 275.776 2.075 20 30 CEEDLO Cn1cc2c(n1)CC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000794965707 629378086 /nfs/dbraw/zinc/37/80/86/629378086.db2.gz YAMMQCNHIZCMIF-PKNBQFBNSA-N 1 2 278.315 2.280 20 30 CEEDLO C#CC[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000894983344 629784561 /nfs/dbraw/zinc/78/45/61/629784561.db2.gz BHBBTXXLWNENKG-KBPBESRZSA-N 1 2 279.380 2.023 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000895377979 630148782 /nfs/dbraw/zinc/14/87/82/630148782.db2.gz BBJUDZKABXLLRY-UHFFFAOYSA-N 1 2 294.738 2.208 20 30 CEEDLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000895575431 630255718 /nfs/dbraw/zinc/25/57/18/630255718.db2.gz TUMCJFJUFGOVAX-GFCCVEGCSA-N 1 2 285.269 2.106 20 30 CEEDLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000895575431 630255720 /nfs/dbraw/zinc/25/57/20/630255720.db2.gz TUMCJFJUFGOVAX-GFCCVEGCSA-N 1 2 285.269 2.106 20 30 CEEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nc(C)cc(C)c1C#N ZINC000895804445 630355373 /nfs/dbraw/zinc/35/53/73/630355373.db2.gz SWYJKWWSJLNAEY-CQSZACIVSA-N 1 2 288.395 2.093 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccnn2C2CCC2)C[C@H](C)N1CC#N ZINC000895969287 630422477 /nfs/dbraw/zinc/42/24/77/630422477.db2.gz KILKMPQEVDUGIM-OKILXGFUSA-N 1 2 287.411 2.026 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccnn2C2CCC2)C[C@H](C)N1CC#N ZINC000895969287 630422480 /nfs/dbraw/zinc/42/24/80/630422480.db2.gz KILKMPQEVDUGIM-OKILXGFUSA-N 1 2 287.411 2.026 20 30 CEEDLO CCn1cc(C[NH2+]Cc2ccc(SC)c(C#N)c2)nn1 ZINC000896046763 630446412 /nfs/dbraw/zinc/44/64/12/630446412.db2.gz VUMJRLHQLGZQHD-UHFFFAOYSA-N 1 2 287.392 2.181 20 30 CEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000896500280 630582887 /nfs/dbraw/zinc/58/28/87/630582887.db2.gz BVWUQTGKSYAIAP-CYBMUJFWSA-N 1 2 252.321 2.365 20 30 CEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000896500280 630582888 /nfs/dbraw/zinc/58/28/88/630582888.db2.gz BVWUQTGKSYAIAP-CYBMUJFWSA-N 1 2 252.321 2.365 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1C#N)C2 ZINC000896653806 630626743 /nfs/dbraw/zinc/62/67/43/630626743.db2.gz GXVKZIWVJFRWQN-UHFFFAOYSA-N 1 2 297.318 2.246 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccon3)C2)nc1 ZINC000896655059 630627307 /nfs/dbraw/zinc/62/73/07/630627307.db2.gz UHYYRNYGWDLEFA-CYBMUJFWSA-N 1 2 283.335 2.018 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccon3)C2)nc1 ZINC000896655059 630627308 /nfs/dbraw/zinc/62/73/08/630627308.db2.gz UHYYRNYGWDLEFA-CYBMUJFWSA-N 1 2 283.335 2.018 20 30 CEEDLO Cc1[nH]c(CNC(=O)c2sccc2CC#N)[nH+]c1C ZINC000896906918 630786357 /nfs/dbraw/zinc/78/63/57/630786357.db2.gz XPMKTJRTLDRNGP-UHFFFAOYSA-N 1 2 274.349 2.084 20 30 CEEDLO CN(C)c1cc(N(C)Cc2cc(C#N)cs2)nc[nH+]1 ZINC000896921593 630810508 /nfs/dbraw/zinc/81/05/08/630810508.db2.gz SPFPJXFAGJVTDF-UHFFFAOYSA-N 1 2 273.365 2.112 20 30 CEEDLO CN(C)c1cc(N(C)Cc2cc(C#N)cs2)[nH+]cn1 ZINC000896921593 630810513 /nfs/dbraw/zinc/81/05/13/630810513.db2.gz SPFPJXFAGJVTDF-UHFFFAOYSA-N 1 2 273.365 2.112 20 30 CEEDLO C(#Cc1ccccc1)C[NH2+]Cc1nc2c(s1)COCC2 ZINC000897239759 631010106 /nfs/dbraw/zinc/01/01/06/631010106.db2.gz OIRXZWIIOGOOHY-UHFFFAOYSA-N 1 2 284.384 2.357 20 30 CEEDLO CC[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(C#N)c1O ZINC000925180935 631154906 /nfs/dbraw/zinc/15/49/06/631154906.db2.gz FXYNMKCUGLFDBH-SMDDNHRTSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000801927178 631358296 /nfs/dbraw/zinc/35/82/96/631358296.db2.gz JJXXLXIRYDNKOG-MBNYWOFBSA-N 1 2 280.393 2.439 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000801927178 631358299 /nfs/dbraw/zinc/35/82/99/631358299.db2.gz JJXXLXIRYDNKOG-MBNYWOFBSA-N 1 2 280.393 2.439 20 30 CEEDLO C=CCN1CCN(C[N@@H+](C)Cc2cccc(OC)c2)C1=O ZINC000839950280 631373764 /nfs/dbraw/zinc/37/37/64/631373764.db2.gz SFYGHKKIXQUBRW-UHFFFAOYSA-N 1 2 289.379 2.008 20 30 CEEDLO C=CCN1CCN(C[N@H+](C)Cc2cccc(OC)c2)C1=O ZINC000839950280 631373768 /nfs/dbraw/zinc/37/37/68/631373768.db2.gz SFYGHKKIXQUBRW-UHFFFAOYSA-N 1 2 289.379 2.008 20 30 CEEDLO C#Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000897583574 631797242 /nfs/dbraw/zinc/79/72/42/631797242.db2.gz NZNHHSLCCBJIKI-INIZCTEOSA-N 1 2 293.370 2.421 20 30 CEEDLO CCc1ncc(C[NH2+]Cc2nc(C#N)cs2)s1 ZINC000897631950 631839335 /nfs/dbraw/zinc/83/93/35/631839335.db2.gz DOGARPZVSDQQOU-UHFFFAOYSA-N 1 2 264.379 2.323 20 30 CEEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000808177797 631932365 /nfs/dbraw/zinc/93/23/65/631932365.db2.gz YCMBBWUYORAKED-CQSZACIVSA-N 1 2 263.385 2.218 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898195836 632110356 /nfs/dbraw/zinc/11/03/56/632110356.db2.gz ZIDYVJHMJRLRLV-KBPBESRZSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898195836 632110357 /nfs/dbraw/zinc/11/03/57/632110357.db2.gz ZIDYVJHMJRLRLV-KBPBESRZSA-N 1 2 265.328 2.156 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2scnc2C)cc1 ZINC000809994312 632165624 /nfs/dbraw/zinc/16/56/24/632165624.db2.gz RVVMDGKEJZVLBJ-UHFFFAOYSA-N 1 2 277.349 2.297 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000812747583 632572486 /nfs/dbraw/zinc/57/24/86/632572486.db2.gz DTGAFGQJYZDGPD-DZGCQCFKSA-N 1 2 297.333 2.075 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CC2CC3(C2)OCCO3)c(O)c1 ZINC000899226896 632743423 /nfs/dbraw/zinc/74/34/23/632743423.db2.gz AQUVBEKHJAJNQM-BOPFTXTBSA-N 1 2 291.347 2.363 20 30 CEEDLO CCOc1cccc(/C=[NH+]\CCc2cc(C)n(C)n2)c1O ZINC000899226770 632743519 /nfs/dbraw/zinc/74/35/19/632743519.db2.gz YNVHGQVGOVHAPY-BOPFTXTBSA-N 1 2 287.363 2.494 20 30 CEEDLO C#Cc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814181152 632801881 /nfs/dbraw/zinc/80/18/81/632801881.db2.gz WMZLMUUECRSERD-AWEZNQCLSA-N 1 2 257.333 2.194 20 30 CEEDLO C#Cc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814181152 632801886 /nfs/dbraw/zinc/80/18/86/632801886.db2.gz WMZLMUUECRSERD-AWEZNQCLSA-N 1 2 257.333 2.194 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ncc(CSC)s1)[C@@H]1CCCO1 ZINC000815135742 632968941 /nfs/dbraw/zinc/96/89/41/632968941.db2.gz GJPZNUKQZGXFLX-NEPJUHHUSA-N 1 2 282.434 2.277 20 30 CEEDLO C[C@H](C#N)OCC[N@H+](C)Cc1c(F)cccc1F ZINC000815169393 632975278 /nfs/dbraw/zinc/97/52/78/632975278.db2.gz BVDFFICFWPEOKQ-SNVBAGLBSA-N 1 2 254.280 2.325 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1c(F)cccc1F ZINC000815169393 632975282 /nfs/dbraw/zinc/97/52/82/632975282.db2.gz BVDFFICFWPEOKQ-SNVBAGLBSA-N 1 2 254.280 2.325 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)o1 ZINC000815577162 633033045 /nfs/dbraw/zinc/03/30/45/633033045.db2.gz ICLAWORJGUTZBJ-UHFFFAOYSA-N 1 2 252.233 2.051 20 30 CEEDLO C[C@@](O)(C[NH+]1CC2(CC2(F)F)C1)C(F)(F)C(F)(F)F ZINC000899891960 633081727 /nfs/dbraw/zinc/08/17/27/633081727.db2.gz UQRTVRPQDQRWEG-ZCFIWIBFSA-N 1 2 295.198 2.276 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000899901075 633085811 /nfs/dbraw/zinc/08/58/11/633085811.db2.gz CLQFFRSCZWYLTG-MRXNPFEDSA-N 1 2 269.344 2.451 20 30 CEEDLO C=CCC(F)(F)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000816501498 633401927 /nfs/dbraw/zinc/40/19/27/633401927.db2.gz OOKZHXPFGYUWEZ-LLVKDONJSA-N 1 2 283.322 2.338 20 30 CEEDLO C[C@@H]1CC(NN=Cc2cccc3[nH+]ccn32)C[C@@H](C)O1 ZINC000901308301 634035795 /nfs/dbraw/zinc/03/57/95/634035795.db2.gz RHJMPUKAAQXNHC-VXGBXAGGSA-N 1 2 272.352 2.214 20 30 CEEDLO COc1cc(C)cc2c1OC/C(=C/c1c[nH+]cn1C)C2=O ZINC000901464613 634135588 /nfs/dbraw/zinc/13/55/88/634135588.db2.gz KZULEKXFESZATN-WDZFZDKYSA-N 1 2 284.315 2.396 20 30 CEEDLO Cc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)nn1C ZINC000901555066 634176502 /nfs/dbraw/zinc/17/65/02/634176502.db2.gz MNUYFLKDJWBHNS-WAYWQWQTSA-N 1 2 290.392 2.143 20 30 CEEDLO C#C[C@H](CCC)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000822398635 634910985 /nfs/dbraw/zinc/91/09/85/634910985.db2.gz ZIRWOURHDAYAAR-ZIAGYGMSSA-N 1 2 261.369 2.388 20 30 CEEDLO COc1cccnc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903013729 634938251 /nfs/dbraw/zinc/93/82/51/634938251.db2.gz HQWUOCNNDGNGIG-NSHDSACASA-N 1 2 268.320 2.208 20 30 CEEDLO COc1cccnc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903013728 634938393 /nfs/dbraw/zinc/93/83/93/634938393.db2.gz HQWUOCNNDGNGIG-LLVKDONJSA-N 1 2 268.320 2.208 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C#N)c1O ZINC000903286137 635050770 /nfs/dbraw/zinc/05/07/70/635050770.db2.gz CABAJFDBJZFHKX-ZCICZYKUSA-N 1 2 270.332 2.090 20 30 CEEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)CC#N)n1 ZINC000823224396 635104771 /nfs/dbraw/zinc/10/47/71/635104771.db2.gz LQWNIXUVJCVPRD-SNVBAGLBSA-N 1 2 280.397 2.473 20 30 CEEDLO CC(C)C#CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000823652198 635244218 /nfs/dbraw/zinc/24/42/18/635244218.db2.gz QKKCPJQIRYCRLM-UHFFFAOYSA-N 1 2 285.322 2.287 20 30 CEEDLO N#CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000824746577 635490879 /nfs/dbraw/zinc/49/08/79/635490879.db2.gz MDFPFFNNJUGDLZ-NSHDSACASA-N 1 2 268.320 2.329 20 30 CEEDLO O=C([C@H]1CCn2c[nH+]cc2C1)N(O)Cc1ccc(F)cc1 ZINC000904173667 635493050 /nfs/dbraw/zinc/49/30/50/635493050.db2.gz OAAHPCHGSCMHRV-LBPRGKRZSA-N 1 2 289.310 2.003 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cccnc3s2)CC1 ZINC000825549468 635660669 /nfs/dbraw/zinc/66/06/69/635660669.db2.gz PBZPLIVVGLTVTN-UHFFFAOYSA-N 1 2 299.399 2.077 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1c(F)cncc1Br ZINC000825879001 635727108 /nfs/dbraw/zinc/72/71/08/635727108.db2.gz ZCYTUNCMMJQGLP-ZETCQYMHSA-N 1 2 257.106 2.095 20 30 CEEDLO COc1cc(Cl)cc(C[NH+]2CC(CC#N)C2)c1O ZINC000826990400 636179115 /nfs/dbraw/zinc/17/91/15/636179115.db2.gz FLQNPDSYEBVHDP-UHFFFAOYSA-N 1 2 266.728 2.400 20 30 CEEDLO CC(=NN[C@H](C)CC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000905456564 636289184 /nfs/dbraw/zinc/28/91/84/636289184.db2.gz KSAAJRULGVHYTA-GFCCVEGCSA-N 1 2 267.336 2.488 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1ccccc1OCC)C(=O)OC ZINC000905754430 636441895 /nfs/dbraw/zinc/44/18/95/636441895.db2.gz GWGMAWWTYGHHPZ-CQSZACIVSA-N 1 2 277.364 2.335 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1ccc(OC)c(F)c1)C(=O)OC ZINC000905759886 636445573 /nfs/dbraw/zinc/44/55/73/636445573.db2.gz PTSJYGWYLOIYSM-ZDUSSCGKSA-N 1 2 281.327 2.084 20 30 CEEDLO C=CC[C@H]([NH2+][C@H](CC)[C@@H]1CCCCO1)C(=O)OC ZINC000905776098 636458521 /nfs/dbraw/zinc/45/85/21/636458521.db2.gz ACMPVODONABNQW-AGIUHOORSA-N 1 2 255.358 2.041 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000906469037 636751307 /nfs/dbraw/zinc/75/13/07/636751307.db2.gz XAAZQVUCLSQAJY-KBPBESRZSA-N 1 2 289.379 2.097 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(Cl)cn1)C1CSC1 ZINC000878909855 651208133 /nfs/dbraw/zinc/20/81/33/651208133.db2.gz FKPKEXACOCFUIF-UHFFFAOYSA-N 1 2 252.770 2.286 20 30 CEEDLO C#CC[N@H+](Cc1ccc(Cl)cn1)C1CSC1 ZINC000878909855 651208136 /nfs/dbraw/zinc/20/81/36/651208136.db2.gz FKPKEXACOCFUIF-UHFFFAOYSA-N 1 2 252.770 2.286 20 30 CEEDLO C#CCSCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906771644 636843892 /nfs/dbraw/zinc/84/38/92/636843892.db2.gz WUGAAJLOHDJESI-UHFFFAOYSA-N 1 2 262.378 2.103 20 30 CEEDLO CC#CCN(C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908449552 637350749 /nfs/dbraw/zinc/35/07/49/637350749.db2.gz AHNOCVWYWJTBHI-UHFFFAOYSA-N 1 2 296.374 2.091 20 30 CEEDLO COCC[C@@H](C[N@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000876617646 650361962 /nfs/dbraw/zinc/36/19/62/650361962.db2.gz RPIZWXUUJMXBJN-OLZOCXBDSA-N 1 2 299.415 2.008 20 30 CEEDLO COCC[C@@H](C[N@@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000876617646 650361963 /nfs/dbraw/zinc/36/19/63/650361963.db2.gz RPIZWXUUJMXBJN-OLZOCXBDSA-N 1 2 299.415 2.008 20 30 CEEDLO C[C@H](NN=Cc1cccc2[nH+]ccn21)C(F)(F)F ZINC000835001091 638012996 /nfs/dbraw/zinc/01/29/96/638012996.db2.gz NMULFJCBQRLPTE-QMMMGPOBSA-N 1 2 256.231 2.209 20 30 CEEDLO CC1(C)OCC[C@@H]1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000835014483 638022698 /nfs/dbraw/zinc/02/26/98/638022698.db2.gz SKCUKXPMWSZUJJ-HNNXBMFYSA-N 1 2 284.363 2.363 20 30 CEEDLO N#CC1(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000910783521 638143809 /nfs/dbraw/zinc/14/38/09/638143809.db2.gz HALPEHQATRNBOQ-UHFFFAOYSA-N 1 2 295.386 2.167 20 30 CEEDLO N#CC1(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000910783521 638143812 /nfs/dbraw/zinc/14/38/12/638143812.db2.gz HALPEHQATRNBOQ-UHFFFAOYSA-N 1 2 295.386 2.167 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000911276804 638267876 /nfs/dbraw/zinc/26/78/76/638267876.db2.gz NHDRUOODJUMFEP-KBPBESRZSA-N 1 2 274.364 2.328 20 30 CEEDLO C#CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CSC1 ZINC000912362040 638667160 /nfs/dbraw/zinc/66/71/60/638667160.db2.gz OREQNKGEBQGTPV-AWEZNQCLSA-N 1 2 291.420 2.048 20 30 CEEDLO C=C1CN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000912446562 638696540 /nfs/dbraw/zinc/69/65/40/638696540.db2.gz UMRUTKVEPWVNAR-UHFFFAOYSA-N 1 2 287.388 2.274 20 30 CEEDLO C=CCCC(C)(C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000912728015 639005686 /nfs/dbraw/zinc/00/56/86/639005686.db2.gz ROOXQBJKNGVPCS-WYMLVPIESA-N 1 2 280.412 2.126 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000912986491 639159059 /nfs/dbraw/zinc/15/90/59/639159059.db2.gz YQMXQGHOQZGVGT-AWEZNQCLSA-N 1 2 256.349 2.492 20 30 CEEDLO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000167679047 639531306 /nfs/dbraw/zinc/53/13/06/639531306.db2.gz MKFGQJNIKSCPGU-ZDUSSCGKSA-N 1 2 272.348 2.138 20 30 CEEDLO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000167679047 639531308 /nfs/dbraw/zinc/53/13/08/639531308.db2.gz MKFGQJNIKSCPGU-ZDUSSCGKSA-N 1 2 272.348 2.138 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2c(C)noc2C)cc1 ZINC000060455279 639617517 /nfs/dbraw/zinc/61/75/17/639617517.db2.gz SMYQWZTXGHUATA-UHFFFAOYSA-N 1 2 289.335 2.332 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]N(C)C(=S)NC)c(O)c1 ZINC000841648333 639809753 /nfs/dbraw/zinc/80/97/53/639809753.db2.gz DGAGLVHIAFBKEQ-UHFFFAOYSA-N 1 2 294.424 2.008 20 30 CEEDLO COC1(CCO[NH+]=C(N)c2ccc(F)cc2)CCC1 ZINC000842019315 639920589 /nfs/dbraw/zinc/92/05/89/639920589.db2.gz LIQWDXXDJWNMNU-UHFFFAOYSA-N 1 2 266.316 2.422 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)[C@H]1CCCO1 ZINC000842870141 640210627 /nfs/dbraw/zinc/21/06/27/640210627.db2.gz UGWZQYAIYRFHRI-DUVNUKRYSA-N 1 2 273.380 2.051 20 30 CEEDLO CC(C)(C#N)CC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842886963 640213010 /nfs/dbraw/zinc/21/30/10/640213010.db2.gz PDMUMGKMIROUGJ-UHFFFAOYSA-N 1 2 273.336 2.001 20 30 CEEDLO Cc1[nH+]c[nH]c1CN=Nc1nnc(-c2ccccn2)s1 ZINC000788026663 640253133 /nfs/dbraw/zinc/25/31/33/640253133.db2.gz DLZOXRLHIIOIBZ-UHFFFAOYSA-N 1 2 285.336 2.078 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843395017 640416165 /nfs/dbraw/zinc/41/61/65/640416165.db2.gz JVRWOPJMAICTJW-UHFFFAOYSA-N 1 2 267.332 2.057 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843425480 640425103 /nfs/dbraw/zinc/42/51/03/640425103.db2.gz PHVRDOPMSKDANC-ZDUSSCGKSA-N 1 2 284.718 2.035 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843425480 640425106 /nfs/dbraw/zinc/42/51/06/640425106.db2.gz PHVRDOPMSKDANC-ZDUSSCGKSA-N 1 2 284.718 2.035 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001015534769 640437528 /nfs/dbraw/zinc/43/75/28/640437528.db2.gz GYIDGEGIVKBMTD-OCCSQVGLSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001015534769 640437531 /nfs/dbraw/zinc/43/75/31/640437531.db2.gz GYIDGEGIVKBMTD-OCCSQVGLSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993210271 640553572 /nfs/dbraw/zinc/55/35/72/640553572.db2.gz AOCAQRXFHCGSGS-TZMCWYRMSA-N 1 2 298.814 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993210271 640553575 /nfs/dbraw/zinc/55/35/75/640553575.db2.gz AOCAQRXFHCGSGS-TZMCWYRMSA-N 1 2 298.814 2.055 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccncc1 ZINC000844135612 640613393 /nfs/dbraw/zinc/61/33/93/640613393.db2.gz ZTMWNSCMMHPYPW-GDBMZVCRSA-N 1 2 296.374 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccsn2)[C@@H]1C ZINC000993477742 640647340 /nfs/dbraw/zinc/64/73/40/640647340.db2.gz JSZATLNDUYTETF-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccsn2)[C@@H]1C ZINC000993477742 640647343 /nfs/dbraw/zinc/64/73/43/640647343.db2.gz JSZATLNDUYTETF-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO C[C@@H](C[NH+]1CCOCC1)/N=C\c1cc(Cl)ccc1O ZINC000915980179 640713765 /nfs/dbraw/zinc/71/37/65/640713765.db2.gz YGRACCZGTWYQHP-RCEBRVLHSA-N 1 2 282.771 2.185 20 30 CEEDLO C[C@@H](CC(=O)OCC(=O)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000845277630 640942550 /nfs/dbraw/zinc/94/25/50/640942550.db2.gz JIOVSBVEUZERCM-LBPRGKRZSA-N 1 2 297.314 2.132 20 30 CEEDLO C[C@H](CC(=O)NCc1ccc(OCC#N)cc1)n1cc[nH+]c1 ZINC000845420850 640971967 /nfs/dbraw/zinc/97/19/67/640971967.db2.gz XAAWRLYUOUYPCF-CYBMUJFWSA-N 1 2 298.346 2.053 20 30 CEEDLO C=CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000845435945 640974698 /nfs/dbraw/zinc/97/46/98/640974698.db2.gz XEACOPHGIIGIMV-UHFFFAOYSA-N 1 2 261.369 2.185 20 30 CEEDLO C[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)C#N ZINC000845495101 640986618 /nfs/dbraw/zinc/98/66/18/640986618.db2.gz GXXGQHZLCNCKJQ-LLVKDONJSA-N 1 2 275.352 2.243 20 30 CEEDLO CC(C)(CC#N)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845515817 640991268 /nfs/dbraw/zinc/99/12/68/640991268.db2.gz UTQJBVANBPROSU-UHFFFAOYSA-N 1 2 275.352 2.245 20 30 CEEDLO C=CC[N@@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000154986043 641045359 /nfs/dbraw/zinc/04/53/59/641045359.db2.gz NJYXVLQULDBNRW-UHFFFAOYSA-N 1 2 269.414 2.358 20 30 CEEDLO C=CC[N@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000154986043 641045364 /nfs/dbraw/zinc/04/53/64/641045364.db2.gz NJYXVLQULDBNRW-UHFFFAOYSA-N 1 2 269.414 2.358 20 30 CEEDLO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCC#N ZINC000845964642 641141130 /nfs/dbraw/zinc/14/11/30/641141130.db2.gz JZDNBMYHAKHLPG-UHFFFAOYSA-N 1 2 254.337 2.492 20 30 CEEDLO C#CCCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920745101 641187521 /nfs/dbraw/zinc/18/75/21/641187521.db2.gz LUBBJEIBNISXOT-UHFFFAOYSA-N 1 2 286.379 2.081 20 30 CEEDLO C=C[C@@H](C)ONC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000846553317 641341770 /nfs/dbraw/zinc/34/17/70/641341770.db2.gz AJIGRJPVDMBRPU-OCCSQVGLSA-N 1 2 262.353 2.302 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000847022487 641528844 /nfs/dbraw/zinc/52/88/44/641528844.db2.gz HUXIWIKAGBTCLM-OAHLLOKOSA-N 1 2 295.390 2.124 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000847022487 641528854 /nfs/dbraw/zinc/52/88/54/641528854.db2.gz HUXIWIKAGBTCLM-OAHLLOKOSA-N 1 2 295.390 2.124 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000847162256 641589575 /nfs/dbraw/zinc/58/95/75/641589575.db2.gz VXGQSMUPDBUDAP-CYBMUJFWSA-N 1 2 286.379 2.333 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000072807287 641976087 /nfs/dbraw/zinc/97/60/87/641976087.db2.gz HQJFSBDXYSKUHD-BETUJISGSA-N 1 2 289.379 2.113 20 30 CEEDLO Cc1ccc(-c2ncc(C=NNC3=[NH+]CCN3)s2)cc1C ZINC000848412265 641983258 /nfs/dbraw/zinc/98/32/58/641983258.db2.gz MOIUYYGFFZEIBP-UHFFFAOYSA-N 1 2 299.403 2.310 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(O)c(C)c1 ZINC000848417587 641986056 /nfs/dbraw/zinc/98/60/56/641986056.db2.gz BXEKZVNKDGHWNN-UHFFFAOYSA-N 1 2 272.352 2.301 20 30 CEEDLO CO[C@]1(C)CC(=NNCCCn2cc[nH+]c2)C1(C)C ZINC000848418173 641987117 /nfs/dbraw/zinc/98/71/17/641987117.db2.gz JIRLVSASGDGWCH-CQSZACIVSA-N 1 2 264.373 2.054 20 30 CEEDLO C(=NNCCCn1cc[nH+]c1)C1=Cc2ccccc2OC1 ZINC000848418899 641987197 /nfs/dbraw/zinc/98/71/97/641987197.db2.gz OHKMTEAREWGREH-UHFFFAOYSA-N 1 2 282.347 2.325 20 30 CEEDLO CCc1noc(C)c1C(C)=NNCCCn1cc[nH+]c1 ZINC000848418219 641987210 /nfs/dbraw/zinc/98/72/10/641987210.db2.gz JVORXDAFUXPYLF-UHFFFAOYSA-N 1 2 275.356 2.146 20 30 CEEDLO CC1(C)C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1O ZINC000877462274 650729759 /nfs/dbraw/zinc/72/97/59/650729759.db2.gz PWZKIBJHSQLCKC-LBPRGKRZSA-N 1 2 279.771 2.199 20 30 CEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1O ZINC000877462274 650729761 /nfs/dbraw/zinc/72/97/61/650729761.db2.gz PWZKIBJHSQLCKC-LBPRGKRZSA-N 1 2 279.771 2.199 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)OCC3(CC#N)CC3)ccn12 ZINC000849821190 642480122 /nfs/dbraw/zinc/48/01/22/642480122.db2.gz NGWDIKOTCXQWHP-UHFFFAOYSA-N 1 2 269.304 2.493 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016170399 642525161 /nfs/dbraw/zinc/52/51/61/642525161.db2.gz BQGNCEKIMJJLGP-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016170399 642525163 /nfs/dbraw/zinc/52/51/63/642525163.db2.gz BQGNCEKIMJJLGP-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO CC(C)(C)c1nc(CO[NH+]=C(N)Cc2ccccc2)no1 ZINC000109062154 642553445 /nfs/dbraw/zinc/55/34/45/642553445.db2.gz LJFTYNYZYZVSAY-UHFFFAOYSA-N 1 2 288.351 2.399 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)nn1 ZINC000850376165 642688170 /nfs/dbraw/zinc/68/81/70/642688170.db2.gz WTZQCRYDAZFPOP-JKSUJKDBSA-N 1 2 284.363 2.122 20 30 CEEDLO N#Cc1csc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)n1 ZINC000850374196 642688412 /nfs/dbraw/zinc/68/84/12/642688412.db2.gz KSBDJHOPZWNDIJ-STQMWFEESA-N 1 2 271.345 2.283 20 30 CEEDLO N#Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1C1CC1 ZINC000921830779 642702466 /nfs/dbraw/zinc/70/24/66/642702466.db2.gz QCGVFVKEJGKNHK-UHFFFAOYSA-N 1 2 266.304 2.340 20 30 CEEDLO C#CCCOC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000922082190 642871415 /nfs/dbraw/zinc/87/14/15/642871415.db2.gz RVUAOSFOMKEZSW-AWEZNQCLSA-N 1 2 292.766 2.446 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ocnc2CC)CC1 ZINC001003588024 642958143 /nfs/dbraw/zinc/95/81/43/642958143.db2.gz WHECUJUIMNREMO-UHFFFAOYSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2conc2CC)CC1 ZINC001003576784 642958338 /nfs/dbraw/zinc/95/83/38/642958338.db2.gz CYJHCQXPXXKOBT-UHFFFAOYSA-N 1 2 297.786 2.184 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922337650 643037421 /nfs/dbraw/zinc/03/74/21/643037421.db2.gz MOZZOVGYJFNNSK-NSHDSACASA-N 1 2 296.440 2.359 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccccn1 ZINC000851779617 643158238 /nfs/dbraw/zinc/15/82/38/643158238.db2.gz BHJNPNAMPHDDOU-AWEZNQCLSA-N 1 2 261.369 2.377 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccccn1 ZINC000851779617 643158243 /nfs/dbraw/zinc/15/82/43/643158243.db2.gz BHJNPNAMPHDDOU-AWEZNQCLSA-N 1 2 261.369 2.377 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccccn1 ZINC000851796593 643166402 /nfs/dbraw/zinc/16/64/02/643166402.db2.gz ACXILOSRTKQHLR-OAHLLOKOSA-N 1 2 261.369 2.377 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccccn1 ZINC000851796593 643166405 /nfs/dbraw/zinc/16/64/05/643166405.db2.gz ACXILOSRTKQHLR-OAHLLOKOSA-N 1 2 261.369 2.377 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C1CCOCC1 ZINC000877638160 650828426 /nfs/dbraw/zinc/82/84/26/650828426.db2.gz TXJSMNOPSCUXDY-ZDUSSCGKSA-N 1 2 281.302 2.188 20 30 CEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC000852103188 643307382 /nfs/dbraw/zinc/30/73/82/643307382.db2.gz ZUHLQJDCOXTUQA-JTQLQIEISA-N 1 2 261.247 2.066 20 30 CEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nn(C)cc1Br ZINC000852103207 643307864 /nfs/dbraw/zinc/30/78/64/643307864.db2.gz AKBIYTHSPAQTBQ-NSHDSACASA-N 1 2 270.174 2.074 20 30 CEEDLO CCC1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004539600 643317319 /nfs/dbraw/zinc/31/73/19/643317319.db2.gz LWIKMGGCGVLCDL-OAHLLOKOSA-N 1 2 289.423 2.403 20 30 CEEDLO CCC1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004539600 643317326 /nfs/dbraw/zinc/31/73/26/643317326.db2.gz LWIKMGGCGVLCDL-OAHLLOKOSA-N 1 2 289.423 2.403 20 30 CEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001004576224 643318284 /nfs/dbraw/zinc/31/82/84/643318284.db2.gz DROUZQIVMZWACI-HUUCEWRRSA-N 1 2 287.407 2.013 20 30 CEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001004576224 643318287 /nfs/dbraw/zinc/31/82/87/643318287.db2.gz DROUZQIVMZWACI-HUUCEWRRSA-N 1 2 287.407 2.013 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+]CC1(COC)CCC1)C(=O)OCC ZINC000877671473 650843020 /nfs/dbraw/zinc/84/30/20/650843020.db2.gz YSMWNKKPTQCKCG-LBPRGKRZSA-N 1 2 289.803 2.467 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C(=O)OCC ZINC000877671888 650844017 /nfs/dbraw/zinc/84/40/17/650844017.db2.gz RANYHJJGBTXEPR-WOPDTQHZSA-N 1 2 275.776 2.218 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC2CC1(C)C2 ZINC000852786687 643550187 /nfs/dbraw/zinc/55/01/87/643550187.db2.gz OSRCMZGKZASJSV-UGWHAMFMSA-N 1 2 270.332 2.257 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC2CC1(C)C2 ZINC000852786687 643550193 /nfs/dbraw/zinc/55/01/93/643550193.db2.gz OSRCMZGKZASJSV-UGWHAMFMSA-N 1 2 270.332 2.257 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)C(=O)OC ZINC000877689309 650852256 /nfs/dbraw/zinc/85/22/56/650852256.db2.gz DVUCPNMBPSLMQR-AGIUHOORSA-N 1 2 257.374 2.145 20 30 CEEDLO C[NH+](C)Cc1cnc(/C=C2/CCn3nccc3C2=O)s1 ZINC000853009290 643616377 /nfs/dbraw/zinc/61/63/77/643616377.db2.gz HJVMQRWPDRLOHZ-YFHOEESVSA-N 1 2 288.376 2.071 20 30 CEEDLO Cc1cc(C(=O)OCCn2cc[nH+]c2)cc(C)c1C#N ZINC000923434196 643710773 /nfs/dbraw/zinc/71/07/73/643710773.db2.gz RJIMVFAYBWZVTI-UHFFFAOYSA-N 1 2 269.304 2.229 20 30 CEEDLO CC(C)Cc1nc(C#N)c(N=NCc2c[nH+]c3n2CCC3)o1 ZINC000853296221 643732507 /nfs/dbraw/zinc/73/25/07/643732507.db2.gz GQIAYRVGOATLLR-UHFFFAOYSA-N 1 2 298.350 2.333 20 30 CEEDLO Cc1[nH+]cc(C=NNCCCc2ccccc2)n1C ZINC000853302791 643734556 /nfs/dbraw/zinc/73/45/56/643734556.db2.gz IWUSDECRXXWBHP-UHFFFAOYSA-N 1 2 256.353 2.285 20 30 CEEDLO C=CC[N@H+](CN1C[C@H](CC(C)C)CC1=O)[C@@H](C)COC ZINC000853532930 643804580 /nfs/dbraw/zinc/80/45/80/643804580.db2.gz PUNGFFDMNAPCAC-LSDHHAIUSA-N 1 2 282.428 2.361 20 30 CEEDLO C=CC[N@@H+](CN1C[C@H](CC(C)C)CC1=O)[C@@H](C)COC ZINC000853532930 643804583 /nfs/dbraw/zinc/80/45/83/643804583.db2.gz PUNGFFDMNAPCAC-LSDHHAIUSA-N 1 2 282.428 2.361 20 30 CEEDLO CC1(CCCCO[NH+]=C(N)c2ccc(F)cc2)OCCO1 ZINC000853645937 643845266 /nfs/dbraw/zinc/84/52/66/643845266.db2.gz IPKSGKCBVZLKNI-UHFFFAOYSA-N 1 2 296.342 2.396 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(OC)CC1 ZINC000853696458 643868383 /nfs/dbraw/zinc/86/83/83/643868383.db2.gz GDIPDYKKZNHLDY-UHFFFAOYSA-N 1 2 289.379 2.312 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)c2cccc(F)c2)CC1 ZINC000111661468 643922840 /nfs/dbraw/zinc/92/28/40/643922840.db2.gz RKHFWJGBVZIWFD-OWBHPGMISA-N 1 2 286.350 2.006 20 30 CEEDLO C#CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC000839167836 644176803 /nfs/dbraw/zinc/17/68/03/644176803.db2.gz GVXPMKDAGCABSU-MCIONIFRSA-N 1 2 251.370 2.357 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](CC)Cc1ccc(C)cc1)C(=O)OC ZINC000839169410 644178341 /nfs/dbraw/zinc/17/83/41/644178341.db2.gz RCDOKPBSLSEHTH-HOTGVXAUSA-N 1 2 273.376 2.471 20 30 CEEDLO C=CC[N@H+](CN1C(=O)SC(C)(C)C1=O)C(C)C ZINC000753990444 644308599 /nfs/dbraw/zinc/30/85/99/644308599.db2.gz PIILIBMASJFPOU-UHFFFAOYSA-N 1 2 256.371 2.314 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)SC(C)(C)C1=O)C(C)C ZINC000753990444 644308607 /nfs/dbraw/zinc/30/86/07/644308607.db2.gz PIILIBMASJFPOU-UHFFFAOYSA-N 1 2 256.371 2.314 20 30 CEEDLO C[C@H](C#N)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754371024 644363383 /nfs/dbraw/zinc/36/33/83/644363383.db2.gz HGDNBGLVAKRYLL-IAQYHMDHSA-N 1 2 289.335 2.252 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754371024 644363389 /nfs/dbraw/zinc/36/33/89/644363389.db2.gz HGDNBGLVAKRYLL-IAQYHMDHSA-N 1 2 289.335 2.252 20 30 CEEDLO Cc1[nH+]cc(CN=Nc2cccnn2)n1-c1ccccc1 ZINC000755732746 644552691 /nfs/dbraw/zinc/55/26/91/644552691.db2.gz JHMGTOBQZBOLTE-UHFFFAOYSA-N 1 2 278.319 2.417 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856739274 644702126 /nfs/dbraw/zinc/70/21/26/644702126.db2.gz 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288.742 2.040 20 30 CEEDLO C=C(C)CCC(=O)N(C)CC[NH2+][C@H](C)c1nc(CC)no1 ZINC001266713592 802859706 /nfs/dbraw/zinc/85/97/06/802859706.db2.gz IIPWUFXNUUELAH-GFCCVEGCSA-N 1 2 294.399 2.097 20 30 CEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001096099134 811755693 /nfs/dbraw/zinc/75/56/93/811755693.db2.gz VWHSQFGRXRKNHB-WOPDTQHZSA-N 1 2 294.807 2.370 20 30 CEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001096099134 811755700 /nfs/dbraw/zinc/75/57/00/811755700.db2.gz VWHSQFGRXRKNHB-WOPDTQHZSA-N 1 2 294.807 2.370 20 30 CEEDLO C=CCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC001267101148 803127632 /nfs/dbraw/zinc/12/76/32/803127632.db2.gz QGKBPPIUXNAPGY-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC001267101148 803127638 /nfs/dbraw/zinc/12/76/38/803127638.db2.gz QGKBPPIUXNAPGY-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccncn1 ZINC000404045770 803189782 /nfs/dbraw/zinc/18/97/82/803189782.db2.gz CNYBYICUBATLST-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccncn1 ZINC000404045770 803189786 /nfs/dbraw/zinc/18/97/86/803189786.db2.gz CNYBYICUBATLST-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(F)CCCC1 ZINC001267204947 803230046 /nfs/dbraw/zinc/23/00/46/803230046.db2.gz RCQHBGOBOOUJJH-UHFFFAOYSA-N 1 2 262.756 2.069 20 30 CEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(F)CCCC1 ZINC001267204947 803230048 /nfs/dbraw/zinc/23/00/48/803230048.db2.gz RCQHBGOBOOUJJH-UHFFFAOYSA-N 1 2 262.756 2.069 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@H](CC)CO1 ZINC000721622538 803536694 /nfs/dbraw/zinc/53/66/94/803536694.db2.gz JAQXBRLOPMPQLU-HUUCEWRRSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@H](CC)CO1 ZINC000721622538 803536697 /nfs/dbraw/zinc/53/66/97/803536697.db2.gz JAQXBRLOPMPQLU-HUUCEWRRSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)C[C@H](CC)O1 ZINC000721624216 803537173 /nfs/dbraw/zinc/53/71/73/803537173.db2.gz OUNSMUAYJDPLMW-GASCZTMLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@H](CC)O1 ZINC000721624216 803537175 /nfs/dbraw/zinc/53/71/75/803537175.db2.gz OUNSMUAYJDPLMW-GASCZTMLSA-N 1 2 259.353 2.343 20 30 CEEDLO Cc1nccnc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001140934618 803615670 /nfs/dbraw/zinc/61/56/70/803615670.db2.gz PGFATVSDNYXYAU-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1nccnc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001140934618 803615672 /nfs/dbraw/zinc/61/56/72/803615672.db2.gz PGFATVSDNYXYAU-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO C=CC(C)(C)C(=O)NCC1C[NH+](Cc2nc(C)cs2)C1 ZINC001267687731 803658673 /nfs/dbraw/zinc/65/86/73/803658673.db2.gz MFWXYIYYENNFMQ-UHFFFAOYSA-N 1 2 293.436 2.212 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001267786155 803733311 /nfs/dbraw/zinc/73/33/11/803733311.db2.gz JUCXIOLKCNWAMG-MNOVXSKESA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001267786155 803733314 /nfs/dbraw/zinc/73/33/14/803733314.db2.gz JUCXIOLKCNWAMG-MNOVXSKESA-N 1 2 296.308 2.386 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001038371969 803819601 /nfs/dbraw/zinc/81/96/01/803819601.db2.gz NSECAMFANXHQHX-ZDUSSCGKSA-N 1 2 299.399 2.124 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001038371969 803819610 /nfs/dbraw/zinc/81/96/10/803819610.db2.gz NSECAMFANXHQHX-ZDUSSCGKSA-N 1 2 299.399 2.124 20 30 CEEDLO CC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001027711962 804210739 /nfs/dbraw/zinc/21/07/39/804210739.db2.gz WFWCJRYBWWKVOS-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO CC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001027711962 804210746 /nfs/dbraw/zinc/21/07/46/804210746.db2.gz WFWCJRYBWWKVOS-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001027817919 804273969 /nfs/dbraw/zinc/27/39/69/804273969.db2.gz FMWKXAQCNYZQLA-GFCCVEGCSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001027817919 804273978 /nfs/dbraw/zinc/27/39/78/804273978.db2.gz FMWKXAQCNYZQLA-GFCCVEGCSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001027958130 804362398 /nfs/dbraw/zinc/36/23/98/804362398.db2.gz BASWWTXVRFVUQB-GFCCVEGCSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001027958130 804362405 /nfs/dbraw/zinc/36/24/05/804362405.db2.gz BASWWTXVRFVUQB-GFCCVEGCSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1C ZINC001028107773 804464666 /nfs/dbraw/zinc/46/46/66/804464666.db2.gz YLBNTKUWXHGNTB-ZDUSSCGKSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1C ZINC001028107773 804464670 /nfs/dbraw/zinc/46/46/70/804464670.db2.gz YLBNTKUWXHGNTB-ZDUSSCGKSA-N 1 2 293.798 2.337 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(NC=[NH2+])n1 ZINC001167864342 804514511 /nfs/dbraw/zinc/51/45/11/804514511.db2.gz LWZBUQGPVUMEFU-VIFPVBQESA-N 1 2 260.297 2.049 20 30 CEEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001268469420 804715691 /nfs/dbraw/zinc/71/56/91/804715691.db2.gz KZUJZOUTWOKDDK-AWEZNQCLSA-N 1 2 296.455 2.452 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc[nH]2)C1 ZINC001269233036 805095870 /nfs/dbraw/zinc/09/58/70/805095870.db2.gz CJYOXZKSYBDOEF-GXMNPTEKSA-N 1 2 293.798 2.313 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc[nH]2)C1 ZINC001269233036 805095880 /nfs/dbraw/zinc/09/58/80/805095880.db2.gz CJYOXZKSYBDOEF-GXMNPTEKSA-N 1 2 293.798 2.313 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001269342944 805137320 /nfs/dbraw/zinc/13/73/20/805137320.db2.gz FQIUEBGGTJKSPV-MRXNPFEDSA-N 1 2 284.403 2.178 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001269342944 805137327 /nfs/dbraw/zinc/13/73/27/805137327.db2.gz FQIUEBGGTJKSPV-MRXNPFEDSA-N 1 2 284.403 2.178 20 30 CEEDLO C=CC(C)(C)CC(=O)NC[C@H](CC)[NH2+]Cc1csnn1 ZINC001269409295 805157677 /nfs/dbraw/zinc/15/76/77/805157677.db2.gz ZBIBFXXBEAGQTM-NSHDSACASA-N 1 2 296.440 2.125 20 30 CEEDLO C=CCC[NH+]1CCC(C)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001270232324 805377758 /nfs/dbraw/zinc/37/77/58/805377758.db2.gz XKABHOORSFLIOZ-JTQLQIEISA-N 1 2 296.308 2.434 20 30 CEEDLO C=CCC[NH+]1CCC(C)(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001270232324 805377765 /nfs/dbraw/zinc/37/77/65/805377765.db2.gz XKABHOORSFLIOZ-JTQLQIEISA-N 1 2 296.308 2.434 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001030546004 807228001 /nfs/dbraw/zinc/22/80/01/807228001.db2.gz KUXSYRSTAAZJMM-UHFFFAOYSA-N 1 2 284.350 2.026 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001030659143 807290744 /nfs/dbraw/zinc/29/07/44/807290744.db2.gz UOVLPQWIEGVAQA-QZTJIDSGSA-N 1 2 296.414 2.394 20 30 CEEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001233046605 807361118 /nfs/dbraw/zinc/36/11/18/807361118.db2.gz ZRZJTZRYUJBHQM-LLVKDONJSA-N 1 2 257.259 2.456 20 30 CEEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001233046605 807361124 /nfs/dbraw/zinc/36/11/24/807361124.db2.gz ZRZJTZRYUJBHQM-LLVKDONJSA-N 1 2 257.259 2.456 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001030779263 807374939 /nfs/dbraw/zinc/37/49/39/807374939.db2.gz SMJDHICCAKFRSH-UHFFFAOYSA-N 1 2 276.355 2.433 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001031010223 807583568 /nfs/dbraw/zinc/58/35/68/807583568.db2.gz RNVZZUDMKIQTRS-HUUCEWRRSA-N 1 2 274.408 2.027 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001031010158 807583942 /nfs/dbraw/zinc/58/39/42/807583942.db2.gz RNVZZUDMKIQTRS-GJZGRUSLSA-N 1 2 274.408 2.027 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001031075353 807635835 /nfs/dbraw/zinc/63/58/35/807635835.db2.gz GTPPOGCZKKFDNP-ZWKOTPCHSA-N 1 2 296.414 2.231 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001031105157 807655138 /nfs/dbraw/zinc/65/51/38/807655138.db2.gz GTZKGSWGEBVBQU-GFCCVEGCSA-N 1 2 286.375 2.000 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001031200144 807754157 /nfs/dbraw/zinc/75/41/57/807754157.db2.gz VWYJTHODSDSYQM-UHFFFAOYSA-N 1 2 299.399 2.042 20 30 CEEDLO C=C(C)CCC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106861502 807894332 /nfs/dbraw/zinc/89/43/32/807894332.db2.gz INBFBDLZNBDXQP-UHFFFAOYSA-N 1 2 276.384 2.402 20 30 CEEDLO CC#CCCCC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106912965 808140979 /nfs/dbraw/zinc/14/09/79/808140979.db2.gz FSMLSJSOFHFYLM-UHFFFAOYSA-N 1 2 288.395 2.239 20 30 CEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CC=CC1 ZINC001038135794 808174473 /nfs/dbraw/zinc/17/44/73/808174473.db2.gz QONWKDQPVROHQO-SFHVURJKSA-N 1 2 294.398 2.195 20 30 CEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C1CC=CC1 ZINC001038135794 808174482 /nfs/dbraw/zinc/17/44/82/808174482.db2.gz QONWKDQPVROHQO-SFHVURJKSA-N 1 2 294.398 2.195 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001031933295 808205791 /nfs/dbraw/zinc/20/57/91/808205791.db2.gz RBILFPSTNAVPQO-UHFFFAOYSA-N 1 2 293.798 2.306 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001032022181 808250467 /nfs/dbraw/zinc/25/04/67/808250467.db2.gz CBTGZZXDPMQFDY-GWCFXTLKSA-N 1 2 270.804 2.223 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001107803536 808534121 /nfs/dbraw/zinc/53/41/21/808534121.db2.gz BPXSHPSQWIDWEI-QGZVFWFLSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001107803536 808534127 /nfs/dbraw/zinc/53/41/27/808534127.db2.gz BPXSHPSQWIDWEI-QGZVFWFLSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C2CC2)C1 ZINC001107922172 808590208 /nfs/dbraw/zinc/59/02/08/808590208.db2.gz NPLHSCRLKQGZGV-QGZVFWFLSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C2CC2)C1 ZINC001107922172 808590211 /nfs/dbraw/zinc/59/02/11/808590211.db2.gz NPLHSCRLKQGZGV-QGZVFWFLSA-N 1 2 294.439 2.206 20 30 CEEDLO Cc1nc(C#N)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212354277 808651972 /nfs/dbraw/zinc/65/19/72/808651972.db2.gz LULVXBINGNIZAU-UHFFFAOYSA-N 1 2 295.346 2.237 20 30 CEEDLO C=CCCONC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168626488 808780103 /nfs/dbraw/zinc/78/01/03/808780103.db2.gz BXRBZZILQXJFKC-UHFFFAOYSA-N 1 2 271.320 2.039 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCCC2 ZINC001032752815 808830602 /nfs/dbraw/zinc/83/06/02/808830602.db2.gz WHPYGLDKMGPOBT-GJZGRUSLSA-N 1 2 298.386 2.080 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCCC2 ZINC001032752815 808830606 /nfs/dbraw/zinc/83/06/06/808830606.db2.gz WHPYGLDKMGPOBT-GJZGRUSLSA-N 1 2 298.386 2.080 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)o1 ZINC001032757885 808835860 /nfs/dbraw/zinc/83/58/60/808835860.db2.gz SNEFLMBUHNARJL-QWRGUYRKSA-N 1 2 294.301 2.139 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)o1 ZINC001032757885 808835865 /nfs/dbraw/zinc/83/58/65/808835865.db2.gz SNEFLMBUHNARJL-QWRGUYRKSA-N 1 2 294.301 2.139 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)c1ccccc1 ZINC001032801128 808897941 /nfs/dbraw/zinc/89/79/41/808897941.db2.gz LSHXUTWHZYGBCD-IRXDYDNUSA-N 1 2 296.414 2.273 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)c1ccccc1 ZINC001032801128 808897949 /nfs/dbraw/zinc/89/79/49/808897949.db2.gz LSHXUTWHZYGBCD-IRXDYDNUSA-N 1 2 296.414 2.273 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001032806317 808901915 /nfs/dbraw/zinc/90/19/15/808901915.db2.gz LYOWOLKILGCODE-YOTSKQKMSA-N 1 2 286.419 2.121 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001032806317 808901919 /nfs/dbraw/zinc/90/19/19/808901919.db2.gz LYOWOLKILGCODE-YOTSKQKMSA-N 1 2 286.419 2.121 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001108072364 809188707 /nfs/dbraw/zinc/18/87/07/809188707.db2.gz GMHZPOMULTUZLX-YPMHNXCESA-N 1 2 276.384 2.304 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC001033461953 809311225 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C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001035374523 809779835 /nfs/dbraw/zinc/77/98/35/809779835.db2.gz BZTPFOFYFHOWRB-SOUVJXGZSA-N 1 2 294.439 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001035374523 809779839 /nfs/dbraw/zinc/77/98/39/809779839.db2.gz BZTPFOFYFHOWRB-SOUVJXGZSA-N 1 2 294.439 2.062 20 30 CEEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172161939 815325515 /nfs/dbraw/zinc/32/55/15/815325515.db2.gz REPOOLGRKWXKNL-CHWSQXEVSA-N 1 2 262.328 2.427 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001079420486 810209470 /nfs/dbraw/zinc/20/94/70/810209470.db2.gz CZFQIWHAVZPVSI-BXKDBHETSA-N 1 2 268.744 2.082 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001079420486 810209472 /nfs/dbraw/zinc/20/94/72/810209472.db2.gz CZFQIWHAVZPVSI-BXKDBHETSA-N 1 2 268.744 2.082 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001079547990 810218874 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C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OC)cc2)C1 ZINC001044221626 811457832 /nfs/dbraw/zinc/45/78/32/811457832.db2.gz MBYKMFMMDKWIJP-UHFFFAOYSA-N 1 2 274.364 2.028 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001044227311 811459317 /nfs/dbraw/zinc/45/93/17/811459317.db2.gz LFBRHFSETLGSGG-UHFFFAOYSA-N 1 2 287.407 2.085 20 30 CEEDLO N#C[C@H]1C[NH2+]CCN1c1cc(Cl)nc2ccccc21 ZINC001156321004 811516238 /nfs/dbraw/zinc/51/62/38/811516238.db2.gz LRXXLOLEVYYKNP-JTQLQIEISA-N 1 2 272.739 2.190 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001071279915 811649717 /nfs/dbraw/zinc/64/97/17/811649717.db2.gz ZBAUVHNPUDQGLT-WDEREUQCSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001071279915 811649724 /nfs/dbraw/zinc/64/97/24/811649724.db2.gz ZBAUVHNPUDQGLT-WDEREUQCSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccncc2F)C1 ZINC001046206336 811708616 /nfs/dbraw/zinc/70/86/16/811708616.db2.gz SRTJDCKWMCHNJU-CQSZACIVSA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccncc2F)C1 ZINC001046206336 811708625 /nfs/dbraw/zinc/70/86/25/811708625.db2.gz SRTJDCKWMCHNJU-CQSZACIVSA-N 1 2 297.761 2.167 20 30 CEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109211671 811844931 /nfs/dbraw/zinc/84/49/31/811844931.db2.gz CYWCLYOTGALQBL-RDBSUJKOSA-N 1 2 280.799 2.264 20 30 CEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109211671 811844941 /nfs/dbraw/zinc/84/49/41/811844941.db2.gz CYWCLYOTGALQBL-RDBSUJKOSA-N 1 2 280.799 2.264 20 30 CEEDLO C=CC(C)(C)C(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109578625 811908206 /nfs/dbraw/zinc/90/82/06/811908206.db2.gz JXTGJXGLAWTKAL-UHFFFAOYSA-N 1 2 276.384 2.258 20 30 CEEDLO C#CC[NH+]1CCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722179 815493151 /nfs/dbraw/zinc/49/31/51/815493151.db2.gz PYRXJJYLQJWTNR-INIZCTEOSA-N 1 2 274.795 2.058 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096479653 812075014 /nfs/dbraw/zinc/07/50/14/812075014.db2.gz HBPHUIJKRJQMFK-CZUORRHYSA-N 1 2 288.395 2.082 20 30 CEEDLO CCN(CC)c1ncc(C=[NH+]OC[C@H]2CCOC2)s1 ZINC000788030034 812076544 /nfs/dbraw/zinc/07/65/44/812076544.db2.gz JBUTVWCOHVKXFP-NSHDSACASA-N 1 2 283.397 2.376 20 30 CEEDLO C=CCCCC(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001112865687 812088521 /nfs/dbraw/zinc/08/85/21/812088521.db2.gz UZXJIWRBYLSGSW-UHFFFAOYSA-N 1 2 288.395 2.448 20 30 CEEDLO C=CCC[C@H](C)[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001112867149 812090627 /nfs/dbraw/zinc/09/06/27/812090627.db2.gz FHHWLNZWLCZEGE-WDEREUQCSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(F)F ZINC001049273793 812104051 /nfs/dbraw/zinc/10/40/51/812104051.db2.gz IWDGWXJEUXEEHK-MNOVXSKESA-N 1 2 292.757 2.459 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(F)F ZINC001049273793 812104057 /nfs/dbraw/zinc/10/40/57/812104057.db2.gz IWDGWXJEUXEEHK-MNOVXSKESA-N 1 2 292.757 2.459 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(CC(C)C)CC2)CC1 ZINC001112947318 812119662 /nfs/dbraw/zinc/11/96/62/812119662.db2.gz LNSABCWYOLHJEK-UHFFFAOYSA-N 1 2 250.386 2.143 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C/C=C/Cc2ccccc2)CC1 ZINC001112985638 812134110 /nfs/dbraw/zinc/13/41/10/812134110.db2.gz KMVUPQHHKKYXHT-BQYQJAHWSA-N 1 2 296.414 2.343 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCC)c2ccccn2)CC1 ZINC001113260362 812198509 /nfs/dbraw/zinc/19/85/09/812198509.db2.gz AJFXJLSNSGOKAU-OAHLLOKOSA-N 1 2 287.407 2.296 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001113307695 812213777 /nfs/dbraw/zinc/21/37/77/812213777.db2.gz MOCAGFPJWJBNLS-NVXWUHKLSA-N 1 2 294.439 2.160 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113302898 812213952 /nfs/dbraw/zinc/21/39/52/812213952.db2.gz BCDVHASSMKCYFG-KRWDZBQOSA-N 1 2 294.439 2.160 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001113514252 812265081 /nfs/dbraw/zinc/26/50/81/812265081.db2.gz IFRUILRXFGYTAS-UHFFFAOYSA-N 1 2 252.402 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001261279868 812287266 /nfs/dbraw/zinc/28/72/66/812287266.db2.gz ACOVHYXGGXXSRZ-UHFFFAOYSA-N 1 2 252.333 2.114 20 30 CEEDLO C#CCCCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097015048 812314967 /nfs/dbraw/zinc/31/49/67/812314967.db2.gz ORQYDVYYYHJDCW-HDJSIYSDSA-N 1 2 286.379 2.038 20 30 CEEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097242384 812346213 /nfs/dbraw/zinc/34/62/13/812346213.db2.gz XVUNZCAWTFTCOQ-AUZPSNTRSA-N 1 2 288.395 2.302 20 30 CEEDLO C=CCCCNc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001170296245 812374909 /nfs/dbraw/zinc/37/49/09/812374909.db2.gz FAVHFRUWBHXYNY-SFHVURJKSA-N 1 2 264.354 2.025 20 30 CEEDLO C#Cc1cccc(CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001129842401 812513175 /nfs/dbraw/zinc/51/31/75/812513175.db2.gz ZJHBVRNOWVGQGT-UHFFFAOYSA-N 1 2 275.311 2.246 20 30 CEEDLO C[C@@H](Cc1ccc(F)cc1Cl)N1CC[NH2+]C[C@H]1C#N ZINC001172863980 815538512 /nfs/dbraw/zinc/53/85/12/815538512.db2.gz NDDXPLQBBLHESK-GXFFZTMASA-N 1 2 281.762 2.207 20 30 CEEDLO Cc1ccc2[nH+]cc(CN3CC[C@@H]4SC(=O)C=C4C3)n2c1 ZINC001137305965 812599318 /nfs/dbraw/zinc/59/93/18/812599318.db2.gz CFLABMOOHOBDMT-AWEZNQCLSA-N 1 2 299.399 2.417 20 30 CEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132569434 812894548 /nfs/dbraw/zinc/89/45/48/812894548.db2.gz RHWSATFNYVHSLW-VXGBXAGGSA-N 1 2 291.395 2.216 20 30 CEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001132576013 812896972 /nfs/dbraw/zinc/89/69/72/812896972.db2.gz GMNVXEUIJUCTLJ-QWHCGFSZSA-N 1 2 293.411 2.462 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001139649629 813153029 /nfs/dbraw/zinc/15/30/29/813153029.db2.gz TYWZTBQBLRJARZ-TXEJJXNPSA-N 1 2 258.296 2.108 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001139649629 813153036 /nfs/dbraw/zinc/15/30/36/813153036.db2.gz TYWZTBQBLRJARZ-TXEJJXNPSA-N 1 2 258.296 2.108 20 30 CEEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccc(C#N)cc2)cc1 ZINC001245496684 813366774 /nfs/dbraw/zinc/36/67/74/813366774.db2.gz FOHCKDDDSWIYIY-OAHLLOKOSA-N 1 2 266.300 2.398 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)CC[C@H]1C ZINC001071490323 813422260 /nfs/dbraw/zinc/42/22/60/813422260.db2.gz KNIYRPNHNDISPW-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)CC[C@H]1C ZINC001071490323 813422261 /nfs/dbraw/zinc/42/22/61/813422261.db2.gz KNIYRPNHNDISPW-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccsn2)CC[C@@H]1C ZINC001071604533 813446799 /nfs/dbraw/zinc/44/67/99/813446799.db2.gz ZWCZCHPVAAGVHB-WDEREUQCSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccsn2)CC[C@@H]1C ZINC001071604533 813446808 /nfs/dbraw/zinc/44/68/08/813446808.db2.gz ZWCZCHPVAAGVHB-WDEREUQCSA-N 1 2 299.827 2.478 20 30 CEEDLO COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CC[C@H](C#N)C2)c1C ZINC001136919505 813793023 /nfs/dbraw/zinc/79/30/23/813793023.db2.gz MLJHBWDZFSIQRA-CYBMUJFWSA-N 1 2 289.379 2.083 20 30 CEEDLO COC(=O)CCc1c(C)[nH]c(C[N@H+]2CC[C@H](C#N)C2)c1C ZINC001136919505 813793027 /nfs/dbraw/zinc/79/30/27/813793027.db2.gz MLJHBWDZFSIQRA-CYBMUJFWSA-N 1 2 289.379 2.083 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074310171 813824472 /nfs/dbraw/zinc/82/44/72/813824472.db2.gz QZQOQUWSGGXIDR-GJZGRUSLSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074310171 813824483 /nfs/dbraw/zinc/82/44/83/813824483.db2.gz QZQOQUWSGGXIDR-GJZGRUSLSA-N 1 2 292.423 2.054 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144130814 813966313 /nfs/dbraw/zinc/96/63/13/813966313.db2.gz PTXBGXDFQKWCCM-UHFFFAOYSA-N 1 2 284.737 2.369 20 30 CEEDLO C=CCCC(=O)NCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001099958363 814047658 /nfs/dbraw/zinc/04/76/58/814047658.db2.gz PWGANDKLLBFYEM-UHFFFAOYSA-N 1 2 290.411 2.427 20 30 CEEDLO C=CCCC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001102985666 814453850 /nfs/dbraw/zinc/45/38/50/814453850.db2.gz TZJOFGFXHZNCGV-LBPRGKRZSA-N 1 2 262.357 2.058 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000780557428 814582999 /nfs/dbraw/zinc/58/29/99/814582999.db2.gz XFLRAAQAGYGXAU-UHFFFAOYSA-N 1 2 286.266 2.290 20 30 CEEDLO C=CC(C)(C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCC1 ZINC001111883898 814625132 /nfs/dbraw/zinc/62/51/32/814625132.db2.gz FYVWFAIAIRNPTE-UHFFFAOYSA-N 1 2 288.395 2.448 20 30 CEEDLO COCC[N@H+](CCF)Cc1ccc(C#N)c(F)c1 ZINC000697039454 814645041 /nfs/dbraw/zinc/64/50/41/814645041.db2.gz FRLHRHKHIAFAQG-UHFFFAOYSA-N 1 2 254.280 2.115 20 30 CEEDLO COCC[N@@H+](CCF)Cc1ccc(C#N)c(F)c1 ZINC000697039454 814645047 /nfs/dbraw/zinc/64/50/47/814645047.db2.gz FRLHRHKHIAFAQG-UHFFFAOYSA-N 1 2 254.280 2.115 20 30 CEEDLO N#CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000036804218 814915450 /nfs/dbraw/zinc/91/54/50/814915450.db2.gz YARDPTBAEAJOQN-UHFFFAOYSA-N 1 2 283.125 2.181 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(C)c2F)CC1 ZINC001138119566 815732197 /nfs/dbraw/zinc/73/21/97/815732197.db2.gz IZCXFADPAKKQEW-UHFFFAOYSA-N 1 2 264.319 2.024 20 30 CEEDLO C#CCOc1ccc(C[NH+]2CC3(C2)CCCCO3)cc1 ZINC001138556139 815828159 /nfs/dbraw/zinc/82/81/59/815828159.db2.gz HOEAHNUMBUGEBO-UHFFFAOYSA-N 1 2 271.360 2.454 20 30 CEEDLO CCCn1ncc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1C ZINC001138635156 815851329 /nfs/dbraw/zinc/85/13/29/815851329.db2.gz MCAUGVVMGPKWJJ-AWEZNQCLSA-N 1 2 291.420 2.376 20 30 CEEDLO C#Cc1cc(Nc2cccc(CO)c2Cl)cc[nH+]1 ZINC001212759263 815854513 /nfs/dbraw/zinc/85/45/13/815854513.db2.gz KBEPJSNSJOWHRX-UHFFFAOYSA-N 1 2 258.708 2.374 20 30 CEEDLO CCS(=O)(=O)c1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001138814859 815909981 /nfs/dbraw/zinc/90/99/81/815909981.db2.gz ATHFJCJGINFIIC-UHFFFAOYSA-N 1 2 299.461 2.374 20 30 CEEDLO N#Cc1cccc2c(C[NH+]3CC(N4CC[C@H](F)C4)C3)c[nH]c21 ZINC001139702998 816090628 /nfs/dbraw/zinc/09/06/28/816090628.db2.gz GDAJDINVOSDYLO-AWEZNQCLSA-N 1 2 298.365 2.268 20 30 CEEDLO N#Cc1cccc2c(CN3CC([N@@H+]4CC[C@H](F)C4)C3)c[nH]c21 ZINC001139702998 816090634 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345610329 /nfs/dbraw/zinc/61/03/29/345610329.db2.gz BKMYOGCAGIAIAB-NEPJUHHUSA-N 1 2 282.347 2.337 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000594421212 345625228 /nfs/dbraw/zinc/62/52/28/345625228.db2.gz OQPKXGSKVYTTQH-DDTOSNHZSA-N 1 2 280.331 2.262 20 30 CEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CCCCC#N)n2)C1 ZINC000594531114 345644369 /nfs/dbraw/zinc/64/43/69/345644369.db2.gz XOPPBDFFUKANTA-GFCCVEGCSA-N 1 2 278.356 2.088 20 30 CEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CCCCC#N)n2)C1 ZINC000594531114 345644370 /nfs/dbraw/zinc/64/43/70/345644370.db2.gz XOPPBDFFUKANTA-GFCCVEGCSA-N 1 2 278.356 2.088 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCCSCC(C)C)nn1 ZINC000594654138 345667681 /nfs/dbraw/zinc/66/76/81/345667681.db2.gz LNHANDQHKLFYLB-UHFFFAOYSA-N 1 2 280.441 2.170 20 30 CEEDLO C=C1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000594733953 345681224 /nfs/dbraw/zinc/68/12/24/345681224.db2.gz BECWKGMOPPTIPB-UHFFFAOYSA-N 1 2 255.321 2.487 20 30 CEEDLO 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/nfs/dbraw/zinc/13/34/05/346133405.db2.gz KEPHERUUPMKTCI-UHFFFAOYSA-N 1 2 278.359 2.454 20 30 CEEDLO N#CC1(c2ccc(C[N@H+]3CCn4cncc4C3)cc2)CC1 ZINC000597132611 346133406 /nfs/dbraw/zinc/13/34/06/346133406.db2.gz KEPHERUUPMKTCI-UHFFFAOYSA-N 1 2 278.359 2.454 20 30 CEEDLO N#CCC1C[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000597192992 346145851 /nfs/dbraw/zinc/14/58/51/346145851.db2.gz BXOZDRHJLPLHBJ-UHFFFAOYSA-N 1 2 264.332 2.489 20 30 CEEDLO COCCOc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597228700 346154992 /nfs/dbraw/zinc/15/49/92/346154992.db2.gz GCOPIJQNCKOFGL-MRXNPFEDSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597228700 346154994 /nfs/dbraw/zinc/15/49/94/346154994.db2.gz GCOPIJQNCKOFGL-MRXNPFEDSA-N 1 2 274.364 2.447 20 30 CEEDLO C[C@H](CC#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000597252848 346162770 /nfs/dbraw/zinc/16/27/70/346162770.db2.gz AFDQJOMESGSQEF-MFKMUULPSA-N 1 2 295.333 2.233 20 30 CEEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C#N ZINC000597567237 346202788 /nfs/dbraw/zinc/20/27/88/346202788.db2.gz CEKLIJQZHJEFCA-RISCZKNCSA-N 1 2 286.379 2.055 20 30 CEEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C#N ZINC000597567237 346202792 /nfs/dbraw/zinc/20/27/92/346202792.db2.gz CEKLIJQZHJEFCA-RISCZKNCSA-N 1 2 286.379 2.055 20 30 CEEDLO N#CC[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000597912454 346251729 /nfs/dbraw/zinc/25/17/29/346251729.db2.gz HOLWFFHUDNWFOG-GFCCVEGCSA-N 1 2 268.320 2.100 20 30 CEEDLO CC(C)(C#N)CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942464 346255485 /nfs/dbraw/zinc/25/54/85/346255485.db2.gz YVIABWLOMGMMAE-UHFFFAOYSA-N 1 2 286.379 2.238 20 30 CEEDLO N#CCC1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000598024504 346269124 /nfs/dbraw/zinc/26/91/24/346269124.db2.gz KHBKSKBNRDDVBB-HNNXBMFYSA-N 1 2 294.358 2.304 20 30 CEEDLO C[C@H](C#N)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000598130295 346295235 /nfs/dbraw/zinc/29/52/35/346295235.db2.gz BLQRRSDJXLFXPY-CYBMUJFWSA-N 1 2 294.358 2.448 20 30 CEEDLO CC(C)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000598836393 346425773 /nfs/dbraw/zinc/42/57/73/346425773.db2.gz IDCPBANULQNAPZ-INIZCTEOSA-N 1 2 273.380 2.384 20 30 CEEDLO N#CC[C@@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000598945832 346435723 /nfs/dbraw/zinc/43/57/23/346435723.db2.gz CCVOZNAJIGIGRA-GJZGRUSLSA-N 1 2 294.358 2.012 20 30 CEEDLO N#CC1(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000598946805 346435795 /nfs/dbraw/zinc/43/57/95/346435795.db2.gz IYSUUGKFMJGYPB-CYBMUJFWSA-N 1 2 286.379 2.178 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000599033715 346449636 /nfs/dbraw/zinc/44/96/36/346449636.db2.gz AFAJOSPKDNOYLD-UHFFFAOYSA-N 1 2 288.395 2.208 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCCC1 ZINC000623256796 349964401 /nfs/dbraw/zinc/96/44/01/349964401.db2.gz VQENWEQPRIVMKX-CYBMUJFWSA-N 1 2 273.380 2.451 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1C#N ZINC000599310721 346496495 /nfs/dbraw/zinc/49/64/95/346496495.db2.gz AXGZOWYXSJSHDW-JKSUJKDBSA-N 1 2 283.375 2.110 20 30 CEEDLO Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1C#N ZINC000599310721 346496496 /nfs/dbraw/zinc/49/64/96/346496496.db2.gz AXGZOWYXSJSHDW-JKSUJKDBSA-N 1 2 283.375 2.110 20 30 CEEDLO Cn1c2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)ccc2oc1=O ZINC000602607893 347099375 /nfs/dbraw/zinc/09/93/75/347099375.db2.gz KSKBVRBZBDFZEP-INIZCTEOSA-N 1 2 285.347 2.257 20 30 CEEDLO Cn1c2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)ccc2oc1=O ZINC000602607893 347099378 /nfs/dbraw/zinc/09/93/78/347099378.db2.gz KSKBVRBZBDFZEP-INIZCTEOSA-N 1 2 285.347 2.257 20 30 CEEDLO COC(=O)[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668542 346559634 /nfs/dbraw/zinc/55/96/34/346559634.db2.gz LCUNWSPPZFXSCR-CJNGLKHVSA-N 1 2 297.358 2.202 20 30 CEEDLO COC(=O)[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668542 346559635 /nfs/dbraw/zinc/55/96/35/346559635.db2.gz LCUNWSPPZFXSCR-CJNGLKHVSA-N 1 2 297.358 2.202 20 30 CEEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675750 346561410 /nfs/dbraw/zinc/56/14/10/346561410.db2.gz NQJVTPUYCGHDMD-CQSZACIVSA-N 1 2 299.418 2.271 20 30 CEEDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675750 346561411 /nfs/dbraw/zinc/56/14/11/346561411.db2.gz NQJVTPUYCGHDMD-CQSZACIVSA-N 1 2 299.418 2.271 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1C#N ZINC000599481815 346527586 /nfs/dbraw/zinc/52/75/86/346527586.db2.gz PADOWUOUASIAAN-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1ccc(C[N@H+]2CCc3nccnc3C2)cc1C#N ZINC000599481815 346527587 /nfs/dbraw/zinc/52/75/87/346527587.db2.gz PADOWUOUASIAAN-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCCCNc1cccc[nH+]1 ZINC000599532108 346532971 /nfs/dbraw/zinc/53/29/71/346532971.db2.gz ZTODNRAISCTTBI-UHFFFAOYSA-N 1 2 274.368 2.330 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000599529792 346533002 /nfs/dbraw/zinc/53/30/02/346533002.db2.gz PUMZGRHGFGXYNE-GFCCVEGCSA-N 1 2 277.368 2.293 20 30 CEEDLO C=CC[C@@H]1CC[N@H+](Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000599529792 346533005 /nfs/dbraw/zinc/53/30/05/346533005.db2.gz PUMZGRHGFGXYNE-GFCCVEGCSA-N 1 2 277.368 2.293 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccc1F ZINC000599641423 346551960 /nfs/dbraw/zinc/55/19/60/346551960.db2.gz HMPCWBQYTQZECI-ZDUSSCGKSA-N 1 2 266.291 2.258 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ccc1F ZINC000599641423 346551962 /nfs/dbraw/zinc/55/19/62/346551962.db2.gz HMPCWBQYTQZECI-ZDUSSCGKSA-N 1 2 266.291 2.258 20 30 CEEDLO Cc1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000600108801 346598578 /nfs/dbraw/zinc/59/85/78/346598578.db2.gz UZBDLEMYQIWMHF-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO Cc1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000600108801 346598580 /nfs/dbraw/zinc/59/85/80/346598580.db2.gz UZBDLEMYQIWMHF-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000600143598 346604927 /nfs/dbraw/zinc/60/49/27/346604927.db2.gz FCAZBZQNBBMONY-VIFPVBQESA-N 1 2 253.296 2.280 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600612740 346662238 /nfs/dbraw/zinc/66/22/38/346662238.db2.gz CAXLQYQCTOAODH-JOYOIKCWSA-N 1 2 295.745 2.476 20 30 CEEDLO N#Cc1cc(F)ccc1-c1ccc(NCCCCO)[nH+]c1 ZINC000600788301 346690720 /nfs/dbraw/zinc/69/07/20/346690720.db2.gz IYKJPBNKZLISMS-UHFFFAOYSA-N 1 2 285.322 2.366 20 30 CEEDLO N#CCCN1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000601261432 346804376 /nfs/dbraw/zinc/80/43/76/346804376.db2.gz DCFVKULLNFWZSU-UHFFFAOYSA-N 1 2 284.338 2.410 20 30 CEEDLO N#Cc1c(F)cccc1C[NH+]1CC2(C1)CCOCC2 ZINC000602688668 347148024 /nfs/dbraw/zinc/14/80/24/347148024.db2.gz OPZWAKBVBWEIRV-UHFFFAOYSA-N 1 2 260.312 2.310 20 30 CEEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602717271 347167641 /nfs/dbraw/zinc/16/76/41/347167641.db2.gz ZHFHFOHGYMJQQK-UHFFFAOYSA-N 1 2 281.363 2.261 20 30 CEEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602717271 347167642 /nfs/dbraw/zinc/16/76/42/347167642.db2.gz ZHFHFOHGYMJQQK-UHFFFAOYSA-N 1 2 281.363 2.261 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000602775593 347193258 /nfs/dbraw/zinc/19/32/58/347193258.db2.gz JVNUELZFZCJSHG-JTQLQIEISA-N 1 2 250.298 2.174 20 30 CEEDLO C[C@H]1OCC[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000602779813 347195176 /nfs/dbraw/zinc/19/51/76/347195176.db2.gz RZOUDXKXHYCSBG-ZIAGYGMSSA-N 1 2 259.353 2.222 20 30 CEEDLO C[C@H]1OCC[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000602779813 347195179 /nfs/dbraw/zinc/19/51/79/347195179.db2.gz RZOUDXKXHYCSBG-ZIAGYGMSSA-N 1 2 259.353 2.222 20 30 CEEDLO C[C@@H]1OCC[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000602779812 347195529 /nfs/dbraw/zinc/19/55/29/347195529.db2.gz RZOUDXKXHYCSBG-UONOGXRCSA-N 1 2 259.353 2.222 20 30 CEEDLO C[C@@H]1OCC[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000602779812 347195531 /nfs/dbraw/zinc/19/55/31/347195531.db2.gz RZOUDXKXHYCSBG-UONOGXRCSA-N 1 2 259.353 2.222 20 30 CEEDLO CCCN1CC[N@H+](CC2(CC#N)CC2)C(C)(C)C1=O ZINC000602813812 347211103 /nfs/dbraw/zinc/21/11/03/347211103.db2.gz ZLAIBBFCMULITB-UHFFFAOYSA-N 1 2 263.385 2.013 20 30 CEEDLO CCCN1CC[N@@H+](CC2(CC#N)CC2)C(C)(C)C1=O ZINC000602813812 347211106 /nfs/dbraw/zinc/21/11/06/347211106.db2.gz ZLAIBBFCMULITB-UHFFFAOYSA-N 1 2 263.385 2.013 20 30 CEEDLO C=C(C)C[C@H](NCc1cn2cc(C)ccc2[nH+]1)C(=O)OC ZINC000602732343 347176384 /nfs/dbraw/zinc/17/63/84/347176384.db2.gz AXFVSMSSZATBJX-AWEZNQCLSA-N 1 2 287.363 2.240 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(=O)OC ZINC000602731496 347176400 /nfs/dbraw/zinc/17/64/00/347176400.db2.gz KRWPTTYKAGJGSN-MRXNPFEDSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccoc1)C(=O)OC ZINC000602735385 347178460 /nfs/dbraw/zinc/17/84/60/347178460.db2.gz WJEFCZTXTMRFKY-YPMHNXCESA-N 1 2 251.326 2.308 20 30 CEEDLO Cc1nc([C@](C)([NH2+]CC2(CC#N)CC2)C2CC2)no1 ZINC000602832968 347217426 /nfs/dbraw/zinc/21/74/26/347217426.db2.gz UNJHXPYYXGKTRZ-CYBMUJFWSA-N 1 2 260.341 2.287 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H](C)N1CC#N ZINC000602854751 347226184 /nfs/dbraw/zinc/22/61/84/347226184.db2.gz RERNRAVTQKPAGG-STQMWFEESA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H](C)N1CC#N ZINC000602858042 347227520 /nfs/dbraw/zinc/22/75/20/347227520.db2.gz XYRBUYBFMKFKLM-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H](C)N1CC#N ZINC000602858042 347227522 /nfs/dbraw/zinc/22/75/22/347227522.db2.gz XYRBUYBFMKFKLM-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000602859859 347228442 /nfs/dbraw/zinc/22/84/42/347228442.db2.gz AZVKIPCMPIPVHA-NSHDSACASA-N 1 2 257.337 2.006 20 30 CEEDLO CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602866401 347231283 /nfs/dbraw/zinc/23/12/83/347231283.db2.gz ZSFKXURFXFEDMW-CQSZACIVSA-N 1 2 287.407 2.360 20 30 CEEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602869891 347232119 /nfs/dbraw/zinc/23/21/19/347232119.db2.gz QHSNQZILIHUNNE-SNVBAGLBSA-N 1 2 295.770 2.487 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000602869071 347232210 /nfs/dbraw/zinc/23/22/10/347232210.db2.gz LYFJLBCFZDLLFV-RYUDHWBXSA-N 1 2 282.347 2.454 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602870829 347232784 /nfs/dbraw/zinc/23/27/84/347232784.db2.gz XPAXMGXMRKDYGX-VHSXEESVSA-N 1 2 290.754 2.430 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)[C@](C)(CO)C1 ZINC000602965051 347258565 /nfs/dbraw/zinc/25/85/65/347258565.db2.gz YJNVKQQHFLJFFP-CABCVRRESA-N 1 2 294.782 2.183 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@](C)(CO)C1 ZINC000602965051 347258571 /nfs/dbraw/zinc/25/85/71/347258571.db2.gz YJNVKQQHFLJFFP-CABCVRRESA-N 1 2 294.782 2.183 20 30 CEEDLO CN(Cc1cccs1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973902 347259906 /nfs/dbraw/zinc/25/99/06/347259906.db2.gz HEHPHCRMNRBUII-TZMCWYRMSA-N 1 2 291.420 2.331 20 30 CEEDLO CN(Cc1cccs1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973902 347259907 /nfs/dbraw/zinc/25/99/07/347259907.db2.gz HEHPHCRMNRBUII-TZMCWYRMSA-N 1 2 291.420 2.331 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCn2nccc21 ZINC000603029066 347274071 /nfs/dbraw/zinc/27/40/71/347274071.db2.gz IPAFITUXRFSPJL-CYBMUJFWSA-N 1 2 297.318 2.288 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000603834673 347390861 /nfs/dbraw/zinc/39/08/61/347390861.db2.gz ZPIXNALBZOWYFR-CABCVRRESA-N 1 2 283.379 2.408 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000603834673 347390864 /nfs/dbraw/zinc/39/08/64/347390864.db2.gz ZPIXNALBZOWYFR-CABCVRRESA-N 1 2 283.379 2.408 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608125964 347569437 /nfs/dbraw/zinc/56/94/37/347569437.db2.gz NSBKRSHBPFXWDF-CQSZACIVSA-N 1 2 277.368 2.029 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000609792927 347650993 /nfs/dbraw/zinc/65/09/93/347650993.db2.gz VMPWWXHNXVNJKD-ZDUSSCGKSA-N 1 2 268.320 2.294 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505215 347687466 /nfs/dbraw/zinc/68/74/66/347687466.db2.gz CQHBDELVKNLZBW-DOMZBBRYSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505215 347687471 /nfs/dbraw/zinc/68/74/71/347687471.db2.gz CQHBDELVKNLZBW-DOMZBBRYSA-N 1 2 289.354 2.333 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505848 347687519 /nfs/dbraw/zinc/68/75/19/347687519.db2.gz YSIYYFDVPQIVDR-HNNXBMFYSA-N 1 2 289.354 2.335 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505848 347687522 /nfs/dbraw/zinc/68/75/22/347687522.db2.gz YSIYYFDVPQIVDR-HNNXBMFYSA-N 1 2 289.354 2.335 20 30 CEEDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(F)c(C#N)c1 ZINC000610719826 347706365 /nfs/dbraw/zinc/70/63/65/347706365.db2.gz MDSAWYSRPJJRHO-UHFFFAOYSA-N 1 2 295.321 2.372 20 30 CEEDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(F)c(C#N)c1 ZINC000610719826 347706368 /nfs/dbraw/zinc/70/63/68/347706368.db2.gz MDSAWYSRPJJRHO-UHFFFAOYSA-N 1 2 295.321 2.372 20 30 CEEDLO Cc1ccc(C#N)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC000611399214 347773999 /nfs/dbraw/zinc/77/39/99/347773999.db2.gz AXVAQRZNKZXBQV-UHFFFAOYSA-N 1 2 267.336 2.300 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)ccn1 ZINC000611463473 347781989 /nfs/dbraw/zinc/78/19/89/347781989.db2.gz BDDLFFBUMAMXET-GOSISDBHSA-N 1 2 293.370 2.397 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)ccn1 ZINC000611463473 347781992 /nfs/dbraw/zinc/78/19/92/347781992.db2.gz BDDLFFBUMAMXET-GOSISDBHSA-N 1 2 293.370 2.397 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000611465717 347782031 /nfs/dbraw/zinc/78/20/31/347782031.db2.gz FJAUDCNKZUFTCR-ZANVPECISA-N 1 2 295.745 2.476 20 30 CEEDLO Cc1csc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)n1 ZINC000610991784 347728448 /nfs/dbraw/zinc/72/84/48/347728448.db2.gz JVLWRLFYKZNXSP-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993227 347728994 /nfs/dbraw/zinc/72/89/94/347728994.db2.gz JIKQGQSDYXGANI-OAHLLOKOSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993227 347728997 /nfs/dbraw/zinc/72/89/97/347728997.db2.gz JIKQGQSDYXGANI-OAHLLOKOSA-N 1 2 259.353 2.200 20 30 CEEDLO COCC1([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000611178702 347748442 /nfs/dbraw/zinc/74/84/42/347748442.db2.gz JVNASCQWDKCANV-UHFFFAOYSA-N 1 2 298.346 2.219 20 30 CEEDLO COCC1([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000611178702 347748444 /nfs/dbraw/zinc/74/84/44/347748444.db2.gz JVNASCQWDKCANV-UHFFFAOYSA-N 1 2 298.346 2.219 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180880 347748987 /nfs/dbraw/zinc/74/89/87/347748987.db2.gz ZZFYTWWROCXJPX-YPMHNXCESA-N 1 2 299.365 2.160 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1CC(F)F ZINC000611225674 347753220 /nfs/dbraw/zinc/75/32/20/347753220.db2.gz LSTYNJMNDVGKRG-AWEZNQCLSA-N 1 2 294.349 2.115 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1CC(F)F ZINC000611225674 347753222 /nfs/dbraw/zinc/75/32/22/347753222.db2.gz LSTYNJMNDVGKRG-AWEZNQCLSA-N 1 2 294.349 2.115 20 30 CEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccco2)CC1 ZINC000611260333 347760259 /nfs/dbraw/zinc/76/02/59/347760259.db2.gz SYONYQBANFJEFH-UHFFFAOYSA-N 1 2 298.346 2.339 20 30 CEEDLO COCCN(CCC#N)Cc1c[nH+]c2cccc(C)n12 ZINC000611268702 347761184 /nfs/dbraw/zinc/76/11/84/347761184.db2.gz FCZIXHUVVMCTAN-UHFFFAOYSA-N 1 2 272.352 2.005 20 30 CEEDLO N#CCC1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000611621352 347800210 /nfs/dbraw/zinc/80/02/10/347800210.db2.gz ZCCTXFKSUAGPRT-UHFFFAOYSA-N 1 2 283.335 2.492 20 30 CEEDLO CC(C)CN(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612162511 347851957 /nfs/dbraw/zinc/85/19/57/347851957.db2.gz NSHXIEFXQIVBSH-MRXNPFEDSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)CN(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612162511 347851962 /nfs/dbraw/zinc/85/19/62/347851962.db2.gz NSHXIEFXQIVBSH-MRXNPFEDSA-N 1 2 277.412 2.259 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)s1 ZINC000130173319 365929703 /nfs/dbraw/zinc/92/97/03/365929703.db2.gz DEHIVKVDTOSKIY-SNVBAGLBSA-N 1 2 276.283 2.119 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)s1 ZINC000130173319 365929710 /nfs/dbraw/zinc/92/97/10/365929710.db2.gz DEHIVKVDTOSKIY-SNVBAGLBSA-N 1 2 276.283 2.119 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000623298733 349979537 /nfs/dbraw/zinc/97/95/37/349979537.db2.gz IUNOQWBGGOPUNY-CYBMUJFWSA-N 1 2 273.380 2.451 20 30 CEEDLO Cc1cc([NH2+][C@H]2CCC[C@H](C#N)C2)ccc1-n1cnnn1 ZINC000613252357 348008917 /nfs/dbraw/zinc/00/89/17/348008917.db2.gz YBJYNNBGQDCHLD-STQMWFEESA-N 1 2 282.351 2.465 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC(F)(F)CO ZINC000613516551 348063451 /nfs/dbraw/zinc/06/34/51/348063451.db2.gz SFWGWJHHAXAJNP-CYBMUJFWSA-N 1 2 266.291 2.153 20 30 CEEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000614794206 348241036 /nfs/dbraw/zinc/24/10/36/348241036.db2.gz DJCXPDIEBPDMKU-AWEZNQCLSA-N 1 2 260.337 2.054 20 30 CEEDLO N#Cc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000066939409 362895013 /nfs/dbraw/zinc/89/50/13/362895013.db2.gz CSRFAXZZNRCEID-OAHLLOKOSA-N 1 2 283.306 2.014 20 30 CEEDLO Cc1cc(C#N)cc(NCCc2[nH+]cccc2C)n1 ZINC000405026140 233194413 /nfs/dbraw/zinc/19/44/13/233194413.db2.gz SJYOMGMRRXLVOL-UHFFFAOYSA-N 1 2 252.321 2.042 20 30 CEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CC2(F)CC2)CC1 ZINC000619423965 349177317 /nfs/dbraw/zinc/17/73/17/349177317.db2.gz BJSQSSIKBRJXLL-UHFFFAOYSA-N 1 2 290.342 2.048 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)OC ZINC000619700735 349221638 /nfs/dbraw/zinc/22/16/38/349221638.db2.gz JYFIPXCLLMEFNL-GXFFZTMASA-N 1 2 251.301 2.246 20 30 CEEDLO C=C[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)OC ZINC000619700734 349221802 /nfs/dbraw/zinc/22/18/02/349221802.db2.gz JYFIPXCLLMEFNL-GWCFXTLKSA-N 1 2 251.301 2.246 20 30 CEEDLO C=C[C@H]([NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC)C(=O)OC ZINC000619702325 349223535 /nfs/dbraw/zinc/22/35/35/349223535.db2.gz KZTXMLJQNFKXHF-YNEHKIRRSA-N 1 2 269.385 2.287 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCOc1ccccc1 ZINC000619715937 349226473 /nfs/dbraw/zinc/22/64/73/349226473.db2.gz BWBYYNITMBSHNP-CQSZACIVSA-N 1 2 263.337 2.115 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCOc1ccccc1 ZINC000619715937 349226476 /nfs/dbraw/zinc/22/64/76/349226476.db2.gz BWBYYNITMBSHNP-CQSZACIVSA-N 1 2 263.337 2.115 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000619718888 349228108 /nfs/dbraw/zinc/22/81/08/349228108.db2.gz GFNGCBPGBZQPFY-QWHCGFSZSA-N 1 2 297.395 2.158 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000619718888 349228110 /nfs/dbraw/zinc/22/81/10/349228110.db2.gz GFNGCBPGBZQPFY-QWHCGFSZSA-N 1 2 297.395 2.158 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271216586 191007461 /nfs/dbraw/zinc/00/74/61/191007461.db2.gz IXPHGTJJFUVQOP-LLVKDONJSA-N 1 2 255.321 2.089 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271216586 191007464 /nfs/dbraw/zinc/00/74/64/191007464.db2.gz IXPHGTJJFUVQOP-LLVKDONJSA-N 1 2 255.321 2.089 20 30 CEEDLO CCC[N@H+](CC(=O)OCC)Cc1cc(C#N)cs1 ZINC000092380549 180371495 /nfs/dbraw/zinc/37/14/95/180371495.db2.gz LRBHDKYDJUJGBR-UHFFFAOYSA-N 1 2 266.366 2.395 20 30 CEEDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(C#N)cs1 ZINC000092380549 180371496 /nfs/dbraw/zinc/37/14/96/180371496.db2.gz LRBHDKYDJUJGBR-UHFFFAOYSA-N 1 2 266.366 2.395 20 30 CEEDLO C[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C#N)cc1 ZINC000109120361 186244523 /nfs/dbraw/zinc/24/45/23/186244523.db2.gz MMYLQDQCQDMTMF-UHFFFAOYSA-N 1 2 285.269 2.381 20 30 CEEDLO C[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(C#N)cc1 ZINC000109120361 186244524 /nfs/dbraw/zinc/24/45/24/186244524.db2.gz MMYLQDQCQDMTMF-UHFFFAOYSA-N 1 2 285.269 2.381 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(=O)n2ccccc2n1 ZINC000109813534 186275274 /nfs/dbraw/zinc/27/52/74/186275274.db2.gz WFPSYMNBMAAILY-UHFFFAOYSA-N 1 2 298.390 2.456 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(=O)n2ccccc2n1 ZINC000109813534 186275276 /nfs/dbraw/zinc/27/52/76/186275276.db2.gz WFPSYMNBMAAILY-UHFFFAOYSA-N 1 2 298.390 2.456 20 30 CEEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000121564999 186981303 /nfs/dbraw/zinc/98/13/03/186981303.db2.gz LBMLFHBCEOGORI-NSHDSACASA-N 1 2 284.367 2.376 20 30 CEEDLO C=CC[N@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000121564999 186981304 /nfs/dbraw/zinc/98/13/04/186981304.db2.gz LBMLFHBCEOGORI-NSHDSACASA-N 1 2 284.367 2.376 20 30 CEEDLO COCCN(CCC#N)Cc1cn2c(cccc2C)[nH+]1 ZINC000072690145 363158418 /nfs/dbraw/zinc/15/84/18/363158418.db2.gz FGOURGPKENYUOH-UHFFFAOYSA-N 1 2 272.352 2.005 20 30 CEEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155733820 188224216 /nfs/dbraw/zinc/22/42/16/188224216.db2.gz PZYKTBLZALSWHQ-UHFFFAOYSA-N 1 2 275.352 2.062 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273684010 192261121 /nfs/dbraw/zinc/26/11/21/192261121.db2.gz KTEYYEXXZFMLKC-MNOVXSKESA-N 1 2 294.424 2.086 20 30 CEEDLO C=CCCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000274569471 192658102 /nfs/dbraw/zinc/65/81/02/192658102.db2.gz LPVCGGSZCWFIGN-UHFFFAOYSA-N 1 2 272.352 2.490 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1C#N ZINC000135157842 366401953 /nfs/dbraw/zinc/40/19/53/366401953.db2.gz UMUKIDDWKWXCIY-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1C#N ZINC000135157842 366401962 /nfs/dbraw/zinc/40/19/62/366401962.db2.gz UMUKIDDWKWXCIY-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCC3)c(F)c1 ZINC000135492546 366447464 /nfs/dbraw/zinc/44/74/64/366447464.db2.gz RNMLYTCNHMSJMS-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCC3)c(F)c1 ZINC000135492546 366447470 /nfs/dbraw/zinc/44/74/70/366447470.db2.gz RNMLYTCNHMSJMS-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccco1 ZINC000671752739 540501644 /nfs/dbraw/zinc/50/16/44/540501644.db2.gz MUEYZCZMMUIGRJ-GFCCVEGCSA-N 1 2 273.340 2.398 20 30 CEEDLO CC[C@H](NC(=O)c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000139665664 366557443 /nfs/dbraw/zinc/55/74/43/366557443.db2.gz WTGCJOKZSUWVMX-LBPRGKRZSA-N 1 2 254.293 2.162 20 30 CEEDLO CN(C)c1ccc(NCc2nc(C#N)cs2)c[nH+]1 ZINC000352847508 219682640 /nfs/dbraw/zinc/68/26/40/219682640.db2.gz UNWRJRFTGUXRJI-UHFFFAOYSA-N 1 2 259.338 2.088 20 30 CEEDLO CCCc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000579254473 366619443 /nfs/dbraw/zinc/61/94/43/366619443.db2.gz KLCRJJMTSHIWSU-UHFFFAOYSA-N 1 2 285.391 2.197 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)cc1C#N ZINC000338973606 366597897 /nfs/dbraw/zinc/59/78/97/366597897.db2.gz NYWOJEQDHOJMEO-SNVBAGLBSA-N 1 2 287.298 2.104 20 30 CEEDLO C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1nc(C#N)cs1 ZINC000352854086 219686758 /nfs/dbraw/zinc/68/67/58/219686758.db2.gz PSWHFHPSKBFJSP-RYUDHWBXSA-N 1 2 278.425 2.367 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177626608 189060256 /nfs/dbraw/zinc/06/02/56/189060256.db2.gz FGCWBWYBYCZOEM-UHFFFAOYSA-N 1 2 293.798 2.367 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177626608 189060257 /nfs/dbraw/zinc/06/02/57/189060257.db2.gz FGCWBWYBYCZOEM-UHFFFAOYSA-N 1 2 293.798 2.367 20 30 CEEDLO Cc1ccc2[nH+]cc(CNc3n[nH]c(C4CC4)c3C#N)n2c1 ZINC000571539967 299315130 /nfs/dbraw/zinc/31/51/30/299315130.db2.gz NBTAVFIYMWUIJF-UHFFFAOYSA-N 1 2 292.346 2.149 20 30 CEEDLO C#CCCCCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000180084588 189236464 /nfs/dbraw/zinc/23/64/64/189236464.db2.gz FAAPRDNEBLRKLP-UHFFFAOYSA-N 1 2 269.348 2.453 20 30 CEEDLO C[C@H]1SCC[N@H+](Cc2nc(C#N)cs2)[C@@H]1C ZINC000334493050 291261325 /nfs/dbraw/zinc/26/13/25/291261325.db2.gz AXBBBHLVKOCTIQ-RKDXNWHRSA-N 1 2 253.396 2.341 20 30 CEEDLO C[C@H]1SCC[N@@H+](Cc2nc(C#N)cs2)[C@@H]1C ZINC000334493050 291261327 /nfs/dbraw/zinc/26/13/27/291261327.db2.gz AXBBBHLVKOCTIQ-RKDXNWHRSA-N 1 2 253.396 2.341 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)C(F)(F)F ZINC000181662619 189303896 /nfs/dbraw/zinc/30/38/96/189303896.db2.gz KSZKABFDUNKQMQ-LBPRGKRZSA-N 1 2 275.245 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2.173 20 30 CEEDLO N#Cc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000019847087 361562301 /nfs/dbraw/zinc/56/23/01/361562301.db2.gz HRHBLUOPWGZFOJ-UHFFFAOYSA-N 1 2 254.293 2.174 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000678220780 541095897 /nfs/dbraw/zinc/09/58/97/541095897.db2.gz ZEJUSSGTPRYODR-QWHCGFSZSA-N 1 2 253.367 2.058 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000678220780 541095900 /nfs/dbraw/zinc/09/59/00/541095900.db2.gz ZEJUSSGTPRYODR-QWHCGFSZSA-N 1 2 253.367 2.058 20 30 CEEDLO N#Cc1ccc(NCCCc2[nH]c3ccccc3[nH+]2)nn1 ZINC000301922507 201265410 /nfs/dbraw/zinc/26/54/10/201265410.db2.gz LGRVETPLMWOODM-UHFFFAOYSA-N 1 2 278.319 2.269 20 30 CEEDLO N#Cc1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)nn1 ZINC000301956303 201276101 /nfs/dbraw/zinc/27/61/01/201276101.db2.gz FPYIAMGUGUNDPV-UHFFFAOYSA-N 1 2 282.282 2.018 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679225872 541232381 /nfs/dbraw/zinc/23/23/81/541232381.db2.gz RDSZLXIAPFOPFR-STQMWFEESA-N 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/nfs/dbraw/zinc/14/15/24/364141524.db2.gz TYNKZRBDZHMOLI-UHFFFAOYSA-N 1 2 290.411 2.478 20 30 CEEDLO Fc1ccc(C#CC[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000156706828 366836247 /nfs/dbraw/zinc/83/62/47/366836247.db2.gz IRWRCFGXOIANHB-UHFFFAOYSA-N 1 2 284.338 2.175 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000157622129 366846982 /nfs/dbraw/zinc/84/69/82/366846982.db2.gz SYRXAHIDJNLPSS-KBPBESRZSA-N 1 2 290.411 2.199 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000157622129 366846986 /nfs/dbraw/zinc/84/69/86/366846986.db2.gz SYRXAHIDJNLPSS-KBPBESRZSA-N 1 2 290.411 2.199 20 30 CEEDLO N#CCC[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000158970927 366865285 /nfs/dbraw/zinc/86/52/85/366865285.db2.gz WFYKLKKCGXVZJD-HNNXBMFYSA-N 1 2 297.362 2.227 20 30 CEEDLO CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)C[C@@H](C)C#N ZINC000098134354 364534647 /nfs/dbraw/zinc/53/46/47/364534647.db2.gz LDEUAJOJEVDKLF-JTQLQIEISA-N 1 2 264.325 2.356 20 30 CEEDLO CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C[C@@H](C)C#N ZINC000098134354 364534653 /nfs/dbraw/zinc/53/46/53/364534653.db2.gz LDEUAJOJEVDKLF-JTQLQIEISA-N 1 2 264.325 2.356 20 30 CEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000335183785 364590748 /nfs/dbraw/zinc/59/07/48/364590748.db2.gz HZULOQDTXXVHKO-INIZCTEOSA-N 1 2 280.331 2.294 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000335351078 364690773 /nfs/dbraw/zinc/69/07/73/364690773.db2.gz XTCBTQMMKZRKKN-LBPRGKRZSA-N 1 2 291.782 2.144 20 30 CEEDLO Cc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000115596019 365018140 /nfs/dbraw/zinc/01/81/40/365018140.db2.gz HWYQUPYYJYTZNE-MRXNPFEDSA-N 1 2 297.333 2.322 20 30 CEEDLO N#Cc1cc(C[NH+]2CCN(CC(F)F)CC2)ccc1F ZINC000119332450 365255671 /nfs/dbraw/zinc/25/56/71/365255671.db2.gz RJTHGMMSZZYJHA-UHFFFAOYSA-N 1 2 283.297 2.080 20 30 CEEDLO C#CCC[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000275504667 193061247 /nfs/dbraw/zinc/06/12/47/193061247.db2.gz VXPPJCRQPDDYPE-LBPRGKRZSA-N 1 2 263.362 2.045 20 30 CEEDLO C#CCC[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000275504667 193061249 /nfs/dbraw/zinc/06/12/49/193061249.db2.gz VXPPJCRQPDDYPE-LBPRGKRZSA-N 1 2 263.362 2.045 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000336092002 365396066 /nfs/dbraw/zinc/39/60/66/365396066.db2.gz BIZCRZRPABCVGG-NSHDSACASA-N 1 2 298.321 2.061 20 30 CEEDLO C[C@H](c1ccccn1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000160041305 366967047 /nfs/dbraw/zinc/96/70/47/366967047.db2.gz LCMNATXPOHSHLN-CQSZACIVSA-N 1 2 293.374 2.231 20 30 CEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885965 367200812 /nfs/dbraw/zinc/20/08/12/367200812.db2.gz YWOYRRKSCNARLC-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885965 367200815 /nfs/dbraw/zinc/20/08/15/367200815.db2.gz YWOYRRKSCNARLC-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO CC(C)N(C(=O)C[NH2+][C@H](C)CC#N)C1CCCC1 ZINC000602865071 367216943 /nfs/dbraw/zinc/21/69/43/367216943.db2.gz 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ZINC000184654559 368709095 /nfs/dbraw/zinc/70/90/95/368709095.db2.gz YVWFFLANSYXDLY-OLZOCXBDSA-N 1 2 261.325 2.309 20 30 CEEDLO C=C(C)Cn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000634603956 368752921 /nfs/dbraw/zinc/75/29/21/368752921.db2.gz PWJDVQOEHCDNBJ-OAHLLOKOSA-N 1 2 283.375 2.283 20 30 CEEDLO C=C(C)Cn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000634603956 368752925 /nfs/dbraw/zinc/75/29/25/368752925.db2.gz PWJDVQOEHCDNBJ-OAHLLOKOSA-N 1 2 283.375 2.283 20 30 CEEDLO CC[C@H](NC(=O)c1sccc1C#N)c1[nH]cc[nH+]1 ZINC000347974861 368844391 /nfs/dbraw/zinc/84/43/91/368844391.db2.gz VNMROANVPHBVEP-VIFPVBQESA-N 1 2 260.322 2.224 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000186336205 368959051 /nfs/dbraw/zinc/95/90/51/368959051.db2.gz CYFVDZQACBEMHD-INIZCTEOSA-N 1 2 288.347 2.094 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000186336205 368959056 /nfs/dbraw/zinc/95/90/56/368959056.db2.gz CYFVDZQACBEMHD-INIZCTEOSA-N 1 2 288.347 2.094 20 30 CEEDLO O=C1OCC[C@@]12CCC[N@H+]2CC#Cc1cccc(Cl)c1 ZINC000186750401 369034230 /nfs/dbraw/zinc/03/42/30/369034230.db2.gz ATBIIGZXWAOCPH-INIZCTEOSA-N 1 2 289.762 2.473 20 30 CEEDLO O=C1OCC[C@@]12CCC[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000186750401 369034235 /nfs/dbraw/zinc/03/42/35/369034235.db2.gz ATBIIGZXWAOCPH-INIZCTEOSA-N 1 2 289.762 2.473 20 30 CEEDLO C=CCC1(NC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC000574278482 335006361 /nfs/dbraw/zinc/00/63/61/335006361.db2.gz MWTMZODBMIECQL-UHFFFAOYSA-N 1 2 261.369 2.358 20 30 CEEDLO COC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000189432095 369515948 /nfs/dbraw/zinc/51/59/48/369515948.db2.gz OLFXCSWBFVXOFX-CZUORRHYSA-N 1 2 293.794 2.427 20 30 CEEDLO COC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000189432095 369515952 /nfs/dbraw/zinc/51/59/52/369515952.db2.gz OLFXCSWBFVXOFX-CZUORRHYSA-N 1 2 293.794 2.427 20 30 CEEDLO C[C@@H]1CSCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000190458365 369626298 /nfs/dbraw/zinc/62/62/98/369626298.db2.gz FTGOSHMRYSTZBB-JTQLQIEISA-N 1 2 295.433 2.243 20 30 CEEDLO C[C@@H]1CSCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000190458365 369626299 /nfs/dbraw/zinc/62/62/99/369626299.db2.gz FTGOSHMRYSTZBB-JTQLQIEISA-N 1 2 295.433 2.243 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000191097719 369676725 /nfs/dbraw/zinc/67/67/25/369676725.db2.gz BMEFYXZOBAMVHH-LBPRGKRZSA-N 1 2 288.351 2.327 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000191097719 369676727 /nfs/dbraw/zinc/67/67/27/369676727.db2.gz BMEFYXZOBAMVHH-LBPRGKRZSA-N 1 2 288.351 2.327 20 30 CEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(F)(C#N)CC2)[C@@H]1C ZINC000352492016 369756020 /nfs/dbraw/zinc/75/60/20/369756020.db2.gz UTFJOHWLRICNHQ-MGPQQGTHSA-N 1 2 295.402 2.255 20 30 CEEDLO CC[N@H+](CC#Cc1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000192024961 369765656 /nfs/dbraw/zinc/76/56/56/369765656.db2.gz GBDOCNUSINYNNA-OAHLLOKOSA-N 1 2 293.432 2.183 20 30 CEEDLO CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CS(=O)(=O)CC ZINC000192024961 369765658 /nfs/dbraw/zinc/76/56/58/369765658.db2.gz GBDOCNUSINYNNA-OAHLLOKOSA-N 1 2 293.432 2.183 20 30 CEEDLO C(#Cc1ccccc1)CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000192047610 369767984 /nfs/dbraw/zinc/76/79/84/369767984.db2.gz MEFXJIHNQHFEHY-LJQANCHMSA-N 1 2 298.430 2.225 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000352647200 369819536 /nfs/dbraw/zinc/81/95/36/369819536.db2.gz OTDAASJQALDFKU-UHFFFAOYSA-N 1 2 254.293 2.161 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000192223095 369780734 /nfs/dbraw/zinc/78/07/34/369780734.db2.gz QFKXDIIXOCSGMY-ZDUSSCGKSA-N 1 2 276.355 2.300 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000192223095 369780739 /nfs/dbraw/zinc/78/07/39/369780739.db2.gz QFKXDIIXOCSGMY-ZDUSSCGKSA-N 1 2 276.355 2.300 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000192238824 369783340 /nfs/dbraw/zinc/78/33/40/369783340.db2.gz BMMBBLPRHKSKRJ-UHFFFAOYSA-N 1 2 295.180 2.261 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1Br ZINC000192238824 369783345 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C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000249084069 371291842 /nfs/dbraw/zinc/29/18/42/371291842.db2.gz BBJKATAAPUMNBG-RHSMWYFYSA-N 1 2 296.374 2.217 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1O ZINC000249541421 371333290 /nfs/dbraw/zinc/33/32/90/371333290.db2.gz FAEOSOWKWZYJPL-IINYFYTJSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1O ZINC000249541421 371333293 /nfs/dbraw/zinc/33/32/93/371333293.db2.gz FAEOSOWKWZYJPL-IINYFYTJSA-N 1 2 264.756 2.414 20 30 CEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1c[nH+]c[nH]1 ZINC000359134886 371349351 /nfs/dbraw/zinc/34/93/51/371349351.db2.gz QXNUFQUOBNCRAE-HNNXBMFYSA-N 1 2 298.346 2.001 20 30 CEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1c[nH]c[nH+]1 ZINC000359134886 371349356 /nfs/dbraw/zinc/34/93/56/371349356.db2.gz QXNUFQUOBNCRAE-HNNXBMFYSA-N 1 2 298.346 2.001 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N(CC)CC(F)(F)F ZINC000639617121 371445654 /nfs/dbraw/zinc/44/56/54/371445654.db2.gz 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256.349 2.394 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nccs2)C1=O ZINC000366896945 373128689 /nfs/dbraw/zinc/12/86/89/373128689.db2.gz OUNWXRFOJCTQPQ-VXGBXAGGSA-N 1 2 277.393 2.067 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nccs2)C1=O ZINC000366896945 373128693 /nfs/dbraw/zinc/12/86/93/373128693.db2.gz OUNWXRFOJCTQPQ-VXGBXAGGSA-N 1 2 277.393 2.067 20 30 CEEDLO COc1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)ccc1C#N ZINC000369113199 373338129 /nfs/dbraw/zinc/33/81/29/373338129.db2.gz PRMSGGORFYVEAC-AWEZNQCLSA-N 1 2 297.362 2.032 20 30 CEEDLO COc1cc(C[N@H+]2CCC[C@H]2c2nncn2C)ccc1C#N ZINC000369113199 373338138 /nfs/dbraw/zinc/33/81/38/373338138.db2.gz PRMSGGORFYVEAC-AWEZNQCLSA-N 1 2 297.362 2.032 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)C1CC1 ZINC000274164789 373830501 /nfs/dbraw/zinc/83/05/01/373830501.db2.gz MRLOOVVFSNOKQO-UHFFFAOYSA-N 1 2 285.372 2.332 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1nc2ccccc2s1)C1CC1 ZINC000274164789 373830508 /nfs/dbraw/zinc/83/05/08/373830508.db2.gz 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373988987 /nfs/dbraw/zinc/98/89/87/373988987.db2.gz WUCWYZMVIWSLBT-AWEZNQCLSA-N 1 2 288.395 2.316 20 30 CEEDLO CC#CC[C@H](CO)Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000645407407 374037497 /nfs/dbraw/zinc/03/74/97/374037497.db2.gz VFRSEGNMKRZROE-LLVKDONJSA-N 1 2 298.321 2.436 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277186554 374431202 /nfs/dbraw/zinc/43/12/02/374431202.db2.gz LRGGQQZIFNXLQB-VLXJIEOASA-N 1 2 276.405 2.462 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277186554 374431207 /nfs/dbraw/zinc/43/12/07/374431207.db2.gz LRGGQQZIFNXLQB-VLXJIEOASA-N 1 2 276.405 2.462 20 30 CEEDLO N#Cc1ncccc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000377998205 374997318 /nfs/dbraw/zinc/99/73/18/374997318.db2.gz HFBJFRUMUXDAPK-UHFFFAOYSA-N 1 2 279.347 2.065 20 30 CEEDLO C=CCCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000279908113 375026077 /nfs/dbraw/zinc/02/60/77/375026077.db2.gz HLNYQDXFBLVIES-UHFFFAOYSA-N 1 2 288.395 2.447 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280892099 375343360 /nfs/dbraw/zinc/34/33/60/375343360.db2.gz QDGAJTXHWYQSNT-CVEARBPZSA-N 1 2 292.810 2.324 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280892099 375343366 /nfs/dbraw/zinc/34/33/66/375343366.db2.gz QDGAJTXHWYQSNT-CVEARBPZSA-N 1 2 292.810 2.324 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)C1=O ZINC000281339676 375372948 /nfs/dbraw/zinc/37/29/48/375372948.db2.gz MJSSDWCJTCVUSH-HNNXBMFYSA-N 1 2 290.794 2.485 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1=O ZINC000281339676 375372956 /nfs/dbraw/zinc/37/29/56/375372956.db2.gz MJSSDWCJTCVUSH-HNNXBMFYSA-N 1 2 290.794 2.485 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1Cl ZINC000414166996 375798993 /nfs/dbraw/zinc/79/89/93/375798993.db2.gz RVYRZGYYCAWBAP-LLVKDONJSA-N 1 2 286.734 2.064 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1Cl ZINC000414166996 375798996 /nfs/dbraw/zinc/79/89/96/375798996.db2.gz RVYRZGYYCAWBAP-LLVKDONJSA-N 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C=CCC(C)(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000292405642 377242591 /nfs/dbraw/zinc/24/25/91/377242591.db2.gz YOZDNCGVXZJRGK-UHFFFAOYSA-N 1 2 284.363 2.486 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000424794513 377295212 /nfs/dbraw/zinc/29/52/12/377295212.db2.gz OKFMBTPKJLQHCQ-ZDUSSCGKSA-N 1 2 290.411 2.217 20 30 CEEDLO CC(C)CN1CC[N@H+](Cc2ccc(CC#N)cc2)CC1=O ZINC000426143653 377392051 /nfs/dbraw/zinc/39/20/51/377392051.db2.gz OVFUGQSKOBWXQU-UHFFFAOYSA-N 1 2 285.391 2.053 20 30 CEEDLO CC(C)CN1CC[N@@H+](Cc2ccc(CC#N)cc2)CC1=O ZINC000426143653 377392069 /nfs/dbraw/zinc/39/20/69/377392069.db2.gz OVFUGQSKOBWXQU-UHFFFAOYSA-N 1 2 285.391 2.053 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000426551852 377417063 /nfs/dbraw/zinc/41/70/63/377417063.db2.gz IAUYPAFYGCOUGB-INIZCTEOSA-N 1 2 283.379 2.262 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000426551852 377417071 /nfs/dbraw/zinc/41/70/71/377417071.db2.gz IAUYPAFYGCOUGB-INIZCTEOSA-N 1 2 283.379 2.262 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1OC ZINC000428839803 377501803 /nfs/dbraw/zinc/50/18/03/377501803.db2.gz LQXFRKQYOHKTBC-UHFFFAOYSA-N 1 2 260.337 2.476 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1OC ZINC000428839803 377501815 /nfs/dbraw/zinc/50/18/15/377501815.db2.gz LQXFRKQYOHKTBC-UHFFFAOYSA-N 1 2 260.337 2.476 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331508050 377456012 /nfs/dbraw/zinc/45/60/12/377456012.db2.gz BXNDQCWBRFOZHD-RWMBFGLXSA-N 1 2 287.367 2.339 20 30 CEEDLO CC(C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265089281 190157295 /nfs/dbraw/zinc/15/72/95/190157295.db2.gz ZLRVZXBOCAURJY-OAHLLOKOSA-N 1 2 299.418 2.495 20 30 CEEDLO CCn1cc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000565049408 377545438 /nfs/dbraw/zinc/54/54/38/377545438.db2.gz ZXWNCWJTQPRDNT-UHFFFAOYSA-N 1 2 299.334 2.315 20 30 CEEDLO CCn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000565049408 377545442 /nfs/dbraw/zinc/54/54/42/377545442.db2.gz ZXWNCWJTQPRDNT-UHFFFAOYSA-N 1 2 299.334 2.315 20 30 CEEDLO COc1cc(CNc2nc(C)[nH+]cc2C)ccc1C#N ZINC000565225367 377617536 /nfs/dbraw/zinc/61/75/36/377617536.db2.gz CZSVHZVUMBBMDS-UHFFFAOYSA-N 1 2 268.320 2.008 20 30 CEEDLO COc1ccc(F)cc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000566890917 377780605 /nfs/dbraw/zinc/78/06/05/377780605.db2.gz BCRWNOPLTAJULY-LLVKDONJSA-N 1 2 261.300 2.367 20 30 CEEDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433294479 377785256 /nfs/dbraw/zinc/78/52/56/377785256.db2.gz MEANOLASBGBCMQ-ZDUSSCGKSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433294479 377785261 /nfs/dbraw/zinc/78/52/61/377785261.db2.gz MEANOLASBGBCMQ-ZDUSSCGKSA-N 1 2 265.401 2.115 20 30 CEEDLO Cc1c(-c2cc(C[N@H+](C)CC(C)(C)C#N)on2)cnn1C ZINC000433298186 377785413 /nfs/dbraw/zinc/78/54/13/377785413.db2.gz NULYQJKFUJAAHK-UHFFFAOYSA-N 1 2 287.367 2.365 20 30 CEEDLO Cc1c(-c2cc(C[N@@H+](C)CC(C)(C)C#N)on2)cnn1C ZINC000433298186 377785416 /nfs/dbraw/zinc/78/54/16/377785416.db2.gz NULYQJKFUJAAHK-UHFFFAOYSA-N 1 2 287.367 2.365 20 30 CEEDLO Cn1c[nH+]cc1CS(=O)(=O)CCCCC(C)(C)C#N ZINC000436088586 377818183 /nfs/dbraw/zinc/81/81/83/377818183.db2.gz MHOBUSBYTFBSKL-UHFFFAOYSA-N 1 2 283.397 2.055 20 30 CEEDLO Cc1ccccc1CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433303316 377786952 /nfs/dbraw/zinc/78/69/52/377786952.db2.gz KPXXUHMZRSKACZ-UHFFFAOYSA-N 1 2 287.407 2.435 20 30 CEEDLO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433303316 377786962 /nfs/dbraw/zinc/78/69/62/377786962.db2.gz KPXXUHMZRSKACZ-UHFFFAOYSA-N 1 2 287.407 2.435 20 30 CEEDLO CC[N@H+](CCC#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449011796 378196318 /nfs/dbraw/zinc/19/63/18/378196318.db2.gz UVQHZRXFOUBDAD-CYBMUJFWSA-N 1 2 294.420 2.429 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449011796 378196322 /nfs/dbraw/zinc/19/63/22/378196322.db2.gz UVQHZRXFOUBDAD-CYBMUJFWSA-N 1 2 294.420 2.429 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449222152 378198670 /nfs/dbraw/zinc/19/86/70/378198670.db2.gz CFIGMUCKEVXDSE-UHFFFAOYSA-N 1 2 253.367 2.098 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449222152 378198676 /nfs/dbraw/zinc/19/86/76/378198676.db2.gz CFIGMUCKEVXDSE-UHFFFAOYSA-N 1 2 253.367 2.098 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000448595153 378173829 /nfs/dbraw/zinc/17/38/29/378173829.db2.gz FWTXVONPHWOHFB-MEDUHNTESA-N 1 2 282.347 2.011 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000295478197 378175726 /nfs/dbraw/zinc/17/57/26/378175726.db2.gz RFEGREMRUACQGU-AWEZNQCLSA-N 1 2 254.349 2.011 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000295478197 378175731 /nfs/dbraw/zinc/17/57/31/378175731.db2.gz RFEGREMRUACQGU-AWEZNQCLSA-N 1 2 254.349 2.011 20 30 CEEDLO C=CCOCCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000266239718 190242515 /nfs/dbraw/zinc/24/25/15/190242515.db2.gz DVYDHRVSDJBUOO-UHFFFAOYSA-N 1 2 287.363 2.242 20 30 CEEDLO Cc1nc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1C#N ZINC000299572606 379050390 /nfs/dbraw/zinc/05/03/90/379050390.db2.gz BTIYWPQUJCJKMW-UHFFFAOYSA-N 1 2 295.346 2.005 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)nn(CC)c2C)n1 ZINC000278835477 194176353 /nfs/dbraw/zinc/17/63/53/194176353.db2.gz ALCGJGZTDDGEIY-UHFFFAOYSA-N 1 2 299.422 2.372 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)nn(CC)c2C)n1 ZINC000278835477 194176356 /nfs/dbraw/zinc/17/63/56/194176356.db2.gz ALCGJGZTDDGEIY-UHFFFAOYSA-N 1 2 299.422 2.372 20 30 CEEDLO C[C@@H](CNc1c(C#N)cccc1C#N)Cn1cc[nH+]c1 ZINC000302864837 379464786 /nfs/dbraw/zinc/46/47/86/379464786.db2.gz XSZOKWSVOOORRP-LBPRGKRZSA-N 1 2 265.320 2.375 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266912661 190289952 /nfs/dbraw/zinc/28/99/52/190289952.db2.gz JMJZQISSZXQLPS-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266912661 190289953 /nfs/dbraw/zinc/28/99/53/190289953.db2.gz JMJZQISSZXQLPS-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO N#Cc1ccc(NCc2cn3c([nH+]2)CCCC3)cn1 ZINC000267335917 190321682 /nfs/dbraw/zinc/32/16/82/190321682.db2.gz CMBDINMSYNMSOH-UHFFFAOYSA-N 1 2 253.309 2.098 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000267376273 190324929 /nfs/dbraw/zinc/32/49/29/190324929.db2.gz ZFZOMMXRPPBJLA-UHFFFAOYSA-N 1 2 290.407 2.279 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000267376273 190324930 /nfs/dbraw/zinc/32/49/30/190324930.db2.gz ZFZOMMXRPPBJLA-UHFFFAOYSA-N 1 2 290.407 2.279 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000487893133 380089976 /nfs/dbraw/zinc/08/99/76/380089976.db2.gz FGFOALZYYWABJS-GFCCVEGCSA-N 1 2 288.347 2.122 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000487893133 380089983 /nfs/dbraw/zinc/08/99/83/380089983.db2.gz FGFOALZYYWABJS-GFCCVEGCSA-N 1 2 288.347 2.122 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C#N)(CC)CC ZINC000529460737 380176500 /nfs/dbraw/zinc/17/65/00/380176500.db2.gz XESXZBKAXCSDKS-NSHDSACASA-N 1 2 262.357 2.410 20 30 CEEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)c(Br)c1O ZINC000544926747 380367602 /nfs/dbraw/zinc/36/76/02/380367602.db2.gz JGJKAHWIBMLKJZ-MRVPVSSYSA-N 1 2 299.168 2.413 20 30 CEEDLO C=CCCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000279058380 194266917 /nfs/dbraw/zinc/26/69/17/194266917.db2.gz BTURTPKSMIRMNQ-KGLIPLIRSA-N 1 2 276.384 2.442 20 30 CEEDLO C[C@H](CNC(=O)/C=C\c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000492085320 380442992 /nfs/dbraw/zinc/44/29/92/380442992.db2.gz DDCKQKLHRSFAAY-LMVHVUTASA-N 1 2 294.358 2.220 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000334483113 380476722 /nfs/dbraw/zinc/47/67/22/380476722.db2.gz XTIYKJQQVABQJR-UHFFFAOYSA-N 1 2 295.317 2.493 20 30 CEEDLO N#CC1(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000334537259 380553313 /nfs/dbraw/zinc/55/33/13/380553313.db2.gz FVPQIHAXYRJSJI-MRXNPFEDSA-N 1 2 254.333 2.422 20 30 CEEDLO N#CC1(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000334537259 380553318 /nfs/dbraw/zinc/55/33/18/380553318.db2.gz FVPQIHAXYRJSJI-MRXNPFEDSA-N 1 2 254.333 2.422 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000575054471 335059537 /nfs/dbraw/zinc/05/95/37/335059537.db2.gz KGHWORMPYAGETB-NEPJUHHUSA-N 1 2 257.341 2.403 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000575054471 335059539 /nfs/dbraw/zinc/05/95/39/335059539.db2.gz KGHWORMPYAGETB-NEPJUHHUSA-N 1 2 257.341 2.403 20 30 CEEDLO CC(C)CN1CC[N@H+](CCCC(C)(C)C#N)CC1=O ZINC000187069991 262378073 /nfs/dbraw/zinc/37/80/73/262378073.db2.gz UQYNDQVHSUUOQZ-UHFFFAOYSA-N 1 2 265.401 2.117 20 30 CEEDLO CC(C)CN1CC[N@@H+](CCCC(C)(C)C#N)CC1=O ZINC000187069991 262378075 /nfs/dbraw/zinc/37/80/75/262378075.db2.gz UQYNDQVHSUUOQZ-UHFFFAOYSA-N 1 2 265.401 2.117 20 30 CEEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000281669122 195328586 /nfs/dbraw/zinc/32/85/86/195328586.db2.gz LJYSLJRPLHBZAJ-JQWIXIFHSA-N 1 2 293.392 2.058 20 30 CEEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000281669122 195328588 /nfs/dbraw/zinc/32/85/88/195328588.db2.gz LJYSLJRPLHBZAJ-JQWIXIFHSA-N 1 2 293.392 2.058 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000195007175 533602937 /nfs/dbraw/zinc/60/29/37/533602937.db2.gz YYNPVPINBFEUNN-SNVBAGLBSA-N 1 2 275.377 2.334 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000195007175 533602941 /nfs/dbraw/zinc/60/29/41/533602941.db2.gz YYNPVPINBFEUNN-SNVBAGLBSA-N 1 2 275.377 2.334 20 30 CEEDLO C[C@H]1C[N@H+](CCSc2ccccc2C#N)CCO1 ZINC000413002868 394457682 /nfs/dbraw/zinc/45/76/82/394457682.db2.gz VIFPNRKDWHVTEZ-LBPRGKRZSA-N 1 2 262.378 2.371 20 30 CEEDLO C[C@H]1C[N@@H+](CCSc2ccccc2C#N)CCO1 ZINC000413002868 394457685 /nfs/dbraw/zinc/45/76/85/394457685.db2.gz VIFPNRKDWHVTEZ-LBPRGKRZSA-N 1 2 262.378 2.371 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1cc(C(F)(F)F)cnc1C#N ZINC000413031509 394468329 /nfs/dbraw/zinc/46/83/29/394468329.db2.gz IZDXKHVVYDPZLZ-UHFFFAOYSA-N 1 2 295.268 2.342 20 30 CEEDLO CCC[C@@H]([NH2+]CCc1cccc(C#N)c1)C(=O)OCC ZINC000355666610 394494163 /nfs/dbraw/zinc/49/41/63/394494163.db2.gz CWFRCIXHJNQPKC-OAHLLOKOSA-N 1 2 274.364 2.422 20 30 CEEDLO CC(C)(C)n1cnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000329765288 394583553 /nfs/dbraw/zinc/58/35/53/394583553.db2.gz WUQVLYKESZOFPA-JTQLQIEISA-N 1 2 288.355 2.080 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCCCS1 ZINC000329767073 394584410 /nfs/dbraw/zinc/58/44/10/394584410.db2.gz YYROBIQUQRGLKX-LLVKDONJSA-N 1 2 282.413 2.052 20 30 CEEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2C=CCCC2)c[nH+]1 ZINC000329773785 394584958 /nfs/dbraw/zinc/58/49/58/394584958.db2.gz LRIPBEYRSUIUIE-CYBMUJFWSA-N 1 2 274.368 2.260 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000092316161 394661011 /nfs/dbraw/zinc/66/10/11/394661011.db2.gz CHZLLVCHKCPURU-GFCCVEGCSA-N 1 2 275.352 2.408 20 30 CEEDLO N#CCCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000330365897 394601529 /nfs/dbraw/zinc/60/15/29/394601529.db2.gz ITLNTCWFJCSYJJ-UHFFFAOYSA-N 1 2 272.327 2.123 20 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/nfs/dbraw/zinc/74/86/55/394748655.db2.gz JRCDIIDAEBOQKJ-HNNXBMFYSA-N 1 2 297.362 2.055 20 30 CEEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000271158612 394748659 /nfs/dbraw/zinc/74/86/59/394748659.db2.gz JRCDIIDAEBOQKJ-HNNXBMFYSA-N 1 2 297.362 2.055 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000271146082 394748849 /nfs/dbraw/zinc/74/88/49/394748849.db2.gz YRMGSRIXPNGSQK-ZDUSSCGKSA-N 1 2 258.369 2.273 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000271146082 394748852 /nfs/dbraw/zinc/74/88/52/394748852.db2.gz YRMGSRIXPNGSQK-ZDUSSCGKSA-N 1 2 258.369 2.273 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000335999395 394816819 /nfs/dbraw/zinc/81/68/19/394816819.db2.gz ZFFXTPWHIMWRJP-JTQLQIEISA-N 1 2 254.293 2.185 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)OC ZINC000361113776 394817202 /nfs/dbraw/zinc/81/72/02/394817202.db2.gz NVFIYJKJKHHMKT-RQJABVFESA-N 1 2 269.385 2.145 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(=O)c(O)co1 ZINC000124792235 394839807 /nfs/dbraw/zinc/83/98/07/394839807.db2.gz HUXSWANYNIZBRV-UHFFFAOYSA-N 1 2 264.325 2.107 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(=O)c(O)co1 ZINC000124792235 394839810 /nfs/dbraw/zinc/83/98/10/394839810.db2.gz HUXSWANYNIZBRV-UHFFFAOYSA-N 1 2 264.325 2.107 20 30 CEEDLO C#Cc1cccc(N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000362137064 394845434 /nfs/dbraw/zinc/84/54/34/394845434.db2.gz NSKHQLUYJXRLPA-HNNXBMFYSA-N 1 2 293.370 2.480 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1F ZINC000336399469 394851752 /nfs/dbraw/zinc/85/17/52/394851752.db2.gz XTTRPZOEZXSNMW-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1F ZINC000336399469 394851753 /nfs/dbraw/zinc/85/17/53/394851753.db2.gz XTTRPZOEZXSNMW-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO C=CCCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285200583 394954593 /nfs/dbraw/zinc/95/45/93/394954593.db2.gz OBZIBXXKYJIBAE-ZDUSSCGKSA-N 1 2 257.341 2.235 20 30 CEEDLO N#CCC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338598328 394924103 /nfs/dbraw/zinc/92/41/03/394924103.db2.gz JHCVHMOANIBEBS-UHFFFAOYSA-N 1 2 267.336 2.145 20 30 CEEDLO N#CCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338598328 394924108 /nfs/dbraw/zinc/92/41/08/394924108.db2.gz JHCVHMOANIBEBS-UHFFFAOYSA-N 1 2 267.336 2.145 20 30 CEEDLO Cc1cc(C#N)nc(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000286063364 395007821 /nfs/dbraw/zinc/00/78/21/395007821.db2.gz IPXUHJBYODZFQS-UHFFFAOYSA-N 1 2 294.362 2.264 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000285458177 394957773 /nfs/dbraw/zinc/95/77/73/394957773.db2.gz AJFDAOGQXPKQMO-UHFFFAOYSA-N 1 2 270.376 2.181 20 30 CEEDLO C#CC[N@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000285458177 394957777 /nfs/dbraw/zinc/95/77/77/394957777.db2.gz AJFDAOGQXPKQMO-UHFFFAOYSA-N 1 2 270.376 2.181 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000339756124 394969350 /nfs/dbraw/zinc/96/93/50/394969350.db2.gz LGODTCMGVDDEML-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000339756124 394969354 /nfs/dbraw/zinc/96/93/54/394969354.db2.gz LGODTCMGVDDEML-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO NC(CCO)=[NH+]OCc1c(Cl)cccc1Cl ZINC000136066984 394969660 /nfs/dbraw/zinc/96/96/60/394969660.db2.gz HEBBJOXUUNIQOV-UHFFFAOYSA-N 1 2 263.124 2.165 20 30 CEEDLO Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)c(C#N)cn1 ZINC000425201126 395051809 /nfs/dbraw/zinc/05/18/09/395051809.db2.gz AMKDSDBXEXMDMN-UHFFFAOYSA-N 1 2 293.374 2.291 20 30 CEEDLO Cn1ccnc1[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000373107254 395054280 /nfs/dbraw/zinc/05/42/80/395054280.db2.gz QYTIJKAMHBSXBS-KGLIPLIRSA-N 1 2 271.368 2.043 20 30 CEEDLO Cn1ccnc1[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000373107254 395054282 /nfs/dbraw/zinc/05/42/82/395054282.db2.gz QYTIJKAMHBSXBS-KGLIPLIRSA-N 1 2 271.368 2.043 20 30 CEEDLO C=C(Cl)C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373794840 395066198 /nfs/dbraw/zinc/06/61/98/395066198.db2.gz BIEKJTXIISLTRL-CYBMUJFWSA-N 1 2 259.777 2.399 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373794840 395066203 /nfs/dbraw/zinc/06/62/03/395066203.db2.gz BIEKJTXIISLTRL-CYBMUJFWSA-N 1 2 259.777 2.399 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]1c1ccccc1F ZINC000374045678 395071167 /nfs/dbraw/zinc/07/11/67/395071167.db2.gz YTRKWFHNXJATLV-DOMZBBRYSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]1c1ccccc1F ZINC000374045678 395071168 /nfs/dbraw/zinc/07/11/68/395071168.db2.gz YTRKWFHNXJATLV-DOMZBBRYSA-N 1 2 289.354 2.333 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000375227557 395091057 /nfs/dbraw/zinc/09/10/57/395091057.db2.gz CIRRKHRPSUGOLK-JKSUJKDBSA-N 1 2 284.359 2.128 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000375227557 395091059 /nfs/dbraw/zinc/09/10/59/395091059.db2.gz CIRRKHRPSUGOLK-JKSUJKDBSA-N 1 2 284.359 2.128 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1 ZINC000289948946 395091833 /nfs/dbraw/zinc/09/18/33/395091833.db2.gz ZXIWFZNYBIYLSS-UGSOOPFHSA-N 1 2 261.390 2.011 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1 ZINC000289948946 395091837 /nfs/dbraw/zinc/09/18/37/395091837.db2.gz ZXIWFZNYBIYLSS-UGSOOPFHSA-N 1 2 261.390 2.011 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000376007350 395106808 /nfs/dbraw/zinc/10/68/08/395106808.db2.gz NBTPRLZRJSMLJL-RYUDHWBXSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000376007350 395106809 /nfs/dbraw/zinc/10/68/09/395106809.db2.gz NBTPRLZRJSMLJL-RYUDHWBXSA-N 1 2 290.201 2.165 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376110442 395109619 /nfs/dbraw/zinc/10/96/19/395109619.db2.gz BHTIXLBRNGYNQU-CJNGLKHVSA-N 1 2 286.379 2.106 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000376200920 395112261 /nfs/dbraw/zinc/11/22/61/395112261.db2.gz VFBUFSYFVOQYRH-MRXNPFEDSA-N 1 2 293.370 2.423 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)cnn1C ZINC000348638935 395148299 /nfs/dbraw/zinc/14/82/99/395148299.db2.gz CHWYAXFUFAQZPV-UHFFFAOYSA-N 1 2 289.379 2.392 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)cnn1C ZINC000348638935 395148303 /nfs/dbraw/zinc/14/83/03/395148303.db2.gz CHWYAXFUFAQZPV-UHFFFAOYSA-N 1 2 289.379 2.392 20 30 CEEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000505614118 395166809 /nfs/dbraw/zinc/16/68/09/395166809.db2.gz VUUKMRMTABADNR-TZMCWYRMSA-N 1 2 284.363 2.205 20 30 CEEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000505614118 395166811 /nfs/dbraw/zinc/16/68/11/395166811.db2.gz VUUKMRMTABADNR-TZMCWYRMSA-N 1 2 284.363 2.205 20 30 CEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000515027762 395172550 /nfs/dbraw/zinc/17/25/50/395172550.db2.gz NLHRABYLVXGWRA-MRVPVSSYSA-N 1 2 260.272 2.240 20 30 CEEDLO COCc1ccc(NCc2cn(C)c[nH+]2)cc1C#N ZINC000527764771 395280500 /nfs/dbraw/zinc/28/05/00/395280500.db2.gz SXIJSWFSRDRIKF-UHFFFAOYSA-N 1 2 256.309 2.050 20 30 CEEDLO C/C(Cl)=C\C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000528357734 395289353 /nfs/dbraw/zinc/28/93/53/395289353.db2.gz KYGZQUSKJWGOIM-UUILKARUSA-N 1 2 276.771 2.218 20 30 CEEDLO C/C(Cl)=C/C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000528446320 395289933 /nfs/dbraw/zinc/28/99/33/395289933.db2.gz AKBZDBLQCGHDDS-XGICHPGQSA-N 1 2 276.771 2.218 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352485536 395259928 /nfs/dbraw/zinc/25/99/28/395259928.db2.gz ZGIQPZGUEXZURM-CYBMUJFWSA-N 1 2 281.375 2.105 20 30 CEEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352485087 395260154 /nfs/dbraw/zinc/26/01/54/395260154.db2.gz XIMBUMCOTNBABD-LBPRGKRZSA-N 1 2 270.348 2.292 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)NCCCCn1cc[nH+]c1 ZINC000525865899 395269990 /nfs/dbraw/zinc/26/99/90/395269990.db2.gz VNSFLMHNJRXQDI-OAHLLOKOSA-N 1 2 279.384 2.008 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)o1 ZINC000355220334 395372601 /nfs/dbraw/zinc/37/26/01/395372601.db2.gz NOGAXPWTSOWJRQ-UHFFFAOYSA-N 1 2 279.303 2.022 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872170 395340822 /nfs/dbraw/zinc/34/08/22/395340822.db2.gz JAKGRGCJEIVROR-GOEBONIOSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872170 395340827 /nfs/dbraw/zinc/34/08/27/395340827.db2.gz JAKGRGCJEIVROR-GOEBONIOSA-N 1 2 292.423 2.076 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CC#N)c1 ZINC000572974590 395597222 /nfs/dbraw/zinc/59/72/22/395597222.db2.gz ZUAYBHYZIIWDPS-LLVKDONJSA-N 1 2 268.320 2.293 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CC#N)c1 ZINC000572974590 395597223 /nfs/dbraw/zinc/59/72/23/395597223.db2.gz ZUAYBHYZIIWDPS-LLVKDONJSA-N 1 2 268.320 2.293 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000573502478 395609748 /nfs/dbraw/zinc/60/97/48/395609748.db2.gz BEBVJSONMFNBBR-JTQLQIEISA-N 1 2 250.298 2.157 20 30 CEEDLO C=CCC[C@@H]([NH2+]CC1(SC)CC1)C(=O)OCC ZINC000449651777 395559212 /nfs/dbraw/zinc/55/92/12/395559212.db2.gz AALXSTOUQYEFCQ-LLVKDONJSA-N 1 2 257.399 2.370 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N[C@@]3(C#N)CC3(C)C)ccn12 ZINC000568412345 395559677 /nfs/dbraw/zinc/55/96/77/395559677.db2.gz RUUJLPZWPZQKSO-OAHLLOKOSA-N 1 2 268.320 2.065 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000568825741 395570713 /nfs/dbraw/zinc/57/07/13/395570713.db2.gz QHKNWPHSCBJAIK-TZMCWYRMSA-N 1 2 260.337 2.040 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450397917 395571445 /nfs/dbraw/zinc/57/14/45/395571445.db2.gz WNSVVAFSTZSXNB-UHFFFAOYSA-N 1 2 285.307 2.189 20 30 CEEDLO CSCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000572752750 395587562 /nfs/dbraw/zinc/58/75/62/395587562.db2.gz GVRIBBUDQQUORP-OAHLLOKOSA-N 1 2 293.436 2.168 20 30 CEEDLO CSCc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000572752750 395587563 /nfs/dbraw/zinc/58/75/63/395587563.db2.gz GVRIBBUDQQUORP-OAHLLOKOSA-N 1 2 293.436 2.168 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)C3(C#N)CC(C)C3)cn2c1 ZINC000574094789 395626531 /nfs/dbraw/zinc/62/65/31/395626531.db2.gz KBTQUENXCAAWCH-UHFFFAOYSA-N 1 2 282.347 2.199 20 30 CEEDLO Cc1cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)ccc1C#N ZINC000575064358 395645327 /nfs/dbraw/zinc/64/53/27/395645327.db2.gz ZSXURWJCPGFDJK-QGZVFWFLSA-N 1 2 288.391 2.493 20 30 CEEDLO Cc1cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)ccc1C#N ZINC000575064358 395645329 /nfs/dbraw/zinc/64/53/29/395645329.db2.gz ZSXURWJCPGFDJK-QGZVFWFLSA-N 1 2 288.391 2.493 20 30 CEEDLO CO[C@]1(C)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459449395 395666180 /nfs/dbraw/zinc/66/61/80/395666180.db2.gz XOIAQJNQNDZKQB-OAHLLOKOSA-N 1 2 289.335 2.467 20 30 CEEDLO CO[C@]1(C)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459449395 395666181 /nfs/dbraw/zinc/66/61/81/395666181.db2.gz XOIAQJNQNDZKQB-OAHLLOKOSA-N 1 2 289.335 2.467 20 30 CEEDLO Cc1nc(Nc2ccc3c(c2)[nH+]cn3C)ccc1C#N ZINC000488064003 395667787 /nfs/dbraw/zinc/66/77/87/395667787.db2.gz KXOZSUPJHSNPCM-UHFFFAOYSA-N 1 2 263.304 2.314 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000491726841 395670430 /nfs/dbraw/zinc/67/04/30/395670430.db2.gz DUWOHZZFAAYGBN-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000491726841 395670431 /nfs/dbraw/zinc/67/04/31/395670431.db2.gz DUWOHZZFAAYGBN-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000649344132 396124908 /nfs/dbraw/zinc/12/49/08/396124908.db2.gz XSDBSOGHUGZUPE-AWEZNQCLSA-N 1 2 253.292 2.260 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000649344132 396124909 /nfs/dbraw/zinc/12/49/09/396124909.db2.gz XSDBSOGHUGZUPE-AWEZNQCLSA-N 1 2 253.292 2.260 20 30 CEEDLO CC(C)[N@H+](CC(=O)Nc1nncs1)Cc1ccccn1 ZINC000048872040 400217009 /nfs/dbraw/zinc/21/70/09/400217009.db2.gz YAMKNTCEWIWRAN-UHFFFAOYSA-N 1 2 291.380 2.432 20 30 CEEDLO CC(C)[N@@H+](CC(=O)Nc1nncs1)Cc1ccccn1 ZINC000048872040 400217015 /nfs/dbraw/zinc/21/70/15/400217015.db2.gz YAMKNTCEWIWRAN-UHFFFAOYSA-N 1 2 291.380 2.432 20 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297.358 2.208 20 30 CEEDLO N#Cc1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)cn1 ZINC000368167508 156294971 /nfs/dbraw/zinc/29/49/71/156294971.db2.gz ZDCLVNQXXMQULA-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO C#CCCCC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000191881034 414838538 /nfs/dbraw/zinc/83/85/38/414838538.db2.gz BVOPCQKOVDWENR-UHFFFAOYSA-N 1 2 269.348 2.264 20 30 CEEDLO C(#Cc1ccccc1)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000191899659 414838606 /nfs/dbraw/zinc/83/86/06/414838606.db2.gz KURCNYSTOBMQKD-UHFFFAOYSA-N 1 2 291.398 2.251 20 30 CEEDLO C=CCCCCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000654666542 415000389 /nfs/dbraw/zinc/00/03/89/415000389.db2.gz LWXCOAWNGFPMLL-UHFFFAOYSA-N 1 2 276.384 2.463 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)nn1 ZINC000653484368 415010473 /nfs/dbraw/zinc/01/04/73/415010473.db2.gz DJZYSIPUAIERIS-ZDUSSCGKSA-N 1 2 271.368 2.233 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCn3cccc3[C@@H]2C)nn1 ZINC000653484368 415010479 /nfs/dbraw/zinc/01/04/79/415010479.db2.gz DJZYSIPUAIERIS-ZDUSSCGKSA-N 1 2 271.368 2.233 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCc3ccc(O)cc32)nn1 ZINC000657693833 415049186 /nfs/dbraw/zinc/04/91/86/415049186.db2.gz SJUVFAOZOPOCDU-MRXNPFEDSA-N 1 2 284.363 2.337 20 30 CEEDLO C=CCCn1cc(C[NH+]2CCC(C(F)F)CC2)nn1 ZINC000653571059 415040981 /nfs/dbraw/zinc/04/09/81/415040981.db2.gz RYXFQZMIEAGLMY-UHFFFAOYSA-N 1 2 270.327 2.331 20 30 CEEDLO C=CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)[C@@H](C)COC ZINC000661240273 415150791 /nfs/dbraw/zinc/15/07/91/415150791.db2.gz MPLOOUKJIYMBPR-ZDUSSCGKSA-N 1 2 297.420 2.113 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)[C@@H](C)COC ZINC000661240273 415150798 /nfs/dbraw/zinc/15/07/98/415150798.db2.gz MPLOOUKJIYMBPR-ZDUSSCGKSA-N 1 2 297.420 2.113 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(C)n1CCC)[C@H](C)COC ZINC000661240426 415151253 /nfs/dbraw/zinc/15/12/53/415151253.db2.gz OTHDKYRGKVNWBY-GFCCVEGCSA-N 1 2 266.389 2.019 20 30 CEEDLO C=CC[N@H+](Cc1nnc(C)n1CCC)[C@H](C)COC ZINC000661240426 415151257 /nfs/dbraw/zinc/15/12/57/415151257.db2.gz OTHDKYRGKVNWBY-GFCCVEGCSA-N 1 2 266.389 2.019 20 30 CEEDLO C=CC[N@H+](Cc1nnc2n1CCCCC2)[C@@H](C)COC ZINC000661240321 415152056 /nfs/dbraw/zinc/15/20/56/415152056.db2.gz NIKMCGAIELAJOX-ZDUSSCGKSA-N 1 2 278.400 2.027 20 30 CEEDLO C=CC[N@@H+](Cc1nnc2n1CCCCC2)[C@@H](C)COC ZINC000661240321 415152059 /nfs/dbraw/zinc/15/20/59/415152059.db2.gz NIKMCGAIELAJOX-ZDUSSCGKSA-N 1 2 278.400 2.027 20 30 CEEDLO C=CC[N@H+](Cc1nnc(C2CCC2)n1C)[C@H](C)COC ZINC000661239895 415152465 /nfs/dbraw/zinc/15/24/65/415152465.db2.gz JSFYLNTUJYZKSG-GFCCVEGCSA-N 1 2 278.400 2.106 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(C2CCC2)n1C)[C@H](C)COC ZINC000661239895 415152468 /nfs/dbraw/zinc/15/24/68/415152468.db2.gz JSFYLNTUJYZKSG-GFCCVEGCSA-N 1 2 278.400 2.106 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655130763 415111663 /nfs/dbraw/zinc/11/16/63/415111663.db2.gz XOBRDPWNHHKDOL-KGLIPLIRSA-N 1 2 285.347 2.106 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000661151002 415112805 /nfs/dbraw/zinc/11/28/05/415112805.db2.gz WGROWXIOIJIKGX-AWEZNQCLSA-N 1 2 299.374 2.453 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000661151002 415112813 /nfs/dbraw/zinc/11/28/13/415112813.db2.gz WGROWXIOIJIKGX-AWEZNQCLSA-N 1 2 299.374 2.453 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440589 415263623 /nfs/dbraw/zinc/26/36/23/415263623.db2.gz RADZOPALGFUGFE-HNNXBMFYSA-N 1 2 274.364 2.499 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440589 415263628 /nfs/dbraw/zinc/26/36/28/415263628.db2.gz RADZOPALGFUGFE-HNNXBMFYSA-N 1 2 274.364 2.499 20 30 CEEDLO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655797182 415477325 /nfs/dbraw/zinc/47/73/25/415477325.db2.gz MMNNCZYNNAWQIV-TUAOUCFPSA-N 1 2 264.373 2.347 20 30 CEEDLO C=CCN(C(=O)N[C@H](C)c1[nH+]ccn1CC)[C@@H](C)COC ZINC000665045014 415561870 /nfs/dbraw/zinc/56/18/70/415561870.db2.gz ATZRYPXUVDWTFI-QWHCGFSZSA-N 1 2 294.399 2.197 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000662163976 415665650 /nfs/dbraw/zinc/66/56/50/415665650.db2.gz QVUGUFLWWQLFKM-SNVBAGLBSA-N 1 2 293.392 2.305 20 30 CEEDLO COC(=O)c1cc(F)ccc1C[NH+]1CCC(C#N)CC1 ZINC000171636023 335073135 /nfs/dbraw/zinc/07/31/35/335073135.db2.gz CVSHSDVNYIVKHG-UHFFFAOYSA-N 1 2 276.311 2.348 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)[C@]3(C#N)C[C@H]3C)ccc2n1C ZINC000334753292 225308539 /nfs/dbraw/zinc/30/85/39/225308539.db2.gz RRQIUJPHFWHOIS-PSLIRLAXSA-N 1 2 268.320 2.370 20 30 CEEDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)NC2(C#N)CCC2)c1 ZINC000347116986 226029670 /nfs/dbraw/zinc/02/96/70/226029670.db2.gz BDBDXUHIMGDRCB-UHFFFAOYSA-N 1 2 289.354 2.128 20 30 CEEDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)c1 ZINC000347116986 226029675 /nfs/dbraw/zinc/02/96/75/226029675.db2.gz BDBDXUHIMGDRCB-UHFFFAOYSA-N 1 2 289.354 2.128 20 30 CEEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000336561380 227118535 /nfs/dbraw/zinc/11/85/35/227118535.db2.gz ISIZEWZUYVMBRT-NEPJUHHUSA-N 1 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SFZISHOYROIMPW-UHFFFAOYSA-N 1 2 251.333 2.420 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1C1CC1 ZINC000299342275 260183466 /nfs/dbraw/zinc/18/34/66/260183466.db2.gz NTEDDTKCBAZRAH-UHFFFAOYSA-N 1 2 283.379 2.239 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1C1CC1 ZINC000299342275 260183468 /nfs/dbraw/zinc/18/34/68/260183468.db2.gz NTEDDTKCBAZRAH-UHFFFAOYSA-N 1 2 283.379 2.239 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531392475 269798190 /nfs/dbraw/zinc/79/81/90/269798190.db2.gz HFESHFGYTLJDTM-UHFFFAOYSA-N 1 2 267.288 2.143 20 30 CEEDLO CCOC(=O)c1cc(C[NH+]2CCC(F)(C#N)CC2)[nH]c1C ZINC000449313597 260399754 /nfs/dbraw/zinc/39/97/54/260399754.db2.gz AJEXPJPXRJMKEK-UHFFFAOYSA-N 1 2 293.342 2.328 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000161856778 261262286 /nfs/dbraw/zinc/26/22/86/261262286.db2.gz LMZKEDXKMKSGJF-GFCCVEGCSA-N 1 2 287.363 2.452 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@H](C)CC#N)cc1 ZINC000161856778 261262288 /nfs/dbraw/zinc/26/22/88/261262288.db2.gz LMZKEDXKMKSGJF-GFCCVEGCSA-N 1 2 287.363 2.452 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000175174470 261597556 /nfs/dbraw/zinc/59/75/56/261597556.db2.gz SRPNWAGZQKRXBU-GTNSWQLSSA-N 1 2 250.367 2.158 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000175174470 261597558 /nfs/dbraw/zinc/59/75/58/261597558.db2.gz SRPNWAGZQKRXBU-GTNSWQLSSA-N 1 2 250.367 2.158 20 30 CEEDLO C=CC1CC[NH+](Cc2nnc(OCC)s2)CC1 ZINC000336692738 262380421 /nfs/dbraw/zinc/38/04/21/262380421.db2.gz IRFRYDODHXEXCN-UHFFFAOYSA-N 1 2 253.371 2.335 20 30 CEEDLO COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCCCC#N ZINC000275716900 263034026 /nfs/dbraw/zinc/03/40/26/263034026.db2.gz NEBYTBKBHIIVBO-AWEZNQCLSA-N 1 2 278.327 2.193 20 30 CEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC(C)(C#N)C2)c1 ZINC000280944085 263065179 /nfs/dbraw/zinc/06/51/79/263065179.db2.gz IVWVRINZQZUFNV-UHFFFAOYSA-N 1 2 295.346 2.464 20 30 CEEDLO NC(=[NH+]OCc1ccccc1Cl)[C@H]1CCCO1 ZINC000283996862 263085336 /nfs/dbraw/zinc/08/53/36/263085336.db2.gz HEJNPEJFRQZZPO-LLVKDONJSA-N 1 2 254.717 2.308 20 30 CEEDLO NC(=[NH+]OCCCOCc1ccccc1)[C@H]1CCCO1 ZINC000284373562 263086681 /nfs/dbraw/zinc/08/66/81/263086681.db2.gz LPCIDPBZDCZVMQ-CQSZACIVSA-N 1 2 278.352 2.061 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCCSC2)c1O ZINC000287191236 263101119 /nfs/dbraw/zinc/10/11/19/263101119.db2.gz LATODYHTNHTOCM-BXRZMRDGSA-N 1 2 280.393 2.150 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCC(=O)N(C)c1ccccc1 ZINC000292062158 263127751 /nfs/dbraw/zinc/12/77/51/263127751.db2.gz CCHGFDGVXVOWDZ-UHFFFAOYSA-N 1 2 271.364 2.441 20 30 CEEDLO C=CC[N@H+](CCC#N)CCC(=O)N(C)c1ccccc1 ZINC000292062158 263127752 /nfs/dbraw/zinc/12/77/52/263127752.db2.gz CCHGFDGVXVOWDZ-UHFFFAOYSA-N 1 2 271.364 2.441 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)CCC(=O)N2C ZINC000292075840 263128031 /nfs/dbraw/zinc/12/80/31/263128031.db2.gz DCBYBDVHLOCROZ-UHFFFAOYSA-N 1 2 283.375 2.497 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)CCC(=O)N2C ZINC000292075840 263128032 /nfs/dbraw/zinc/12/80/32/263128032.db2.gz DCBYBDVHLOCROZ-UHFFFAOYSA-N 1 2 283.375 2.497 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000292768830 263134743 /nfs/dbraw/zinc/13/47/43/263134743.db2.gz JLJVDAVGDZGFRK-CBBWQLFWSA-N 1 2 290.363 2.096 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000292768830 263134744 /nfs/dbraw/zinc/13/47/44/263134744.db2.gz JLJVDAVGDZGFRK-CBBWQLFWSA-N 1 2 290.363 2.096 20 30 CEEDLO CC1(C#N)CN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000297412561 263204756 /nfs/dbraw/zinc/20/47/56/263204756.db2.gz LNIOIZQMUTVLIK-UHFFFAOYSA-N 1 2 260.728 2.333 20 30 CEEDLO C=C(C)CN(CC)C(=O)NCc1c[nH+]ccc1OC ZINC000297498047 263205629 /nfs/dbraw/zinc/20/56/29/263205629.db2.gz VAHRGVZFBBGNFJ-UHFFFAOYSA-N 1 2 263.341 2.198 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CCC1 ZINC000299549886 263246900 /nfs/dbraw/zinc/24/69/00/263246900.db2.gz YNRDYEIOHOWMHG-UHFFFAOYSA-N 1 2 282.347 2.161 20 30 CEEDLO C=C(Cl)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164348181 263287690 /nfs/dbraw/zinc/28/76/90/263287690.db2.gz CIAIJEWRKKXRMO-LLVKDONJSA-N 1 2 289.759 2.386 20 30 CEEDLO C=CC[C@@H](CO)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000340868298 263309958 /nfs/dbraw/zinc/30/99/58/263309958.db2.gz ALENAGOTZONJEK-CYBMUJFWSA-N 1 2 276.384 2.063 20 30 CEEDLO C=CC[C@@H](CO)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000340868298 263309960 /nfs/dbraw/zinc/30/99/60/263309960.db2.gz ALENAGOTZONJEK-CYBMUJFWSA-N 1 2 276.384 2.063 20 30 CEEDLO CC#CCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341535366 263342389 /nfs/dbraw/zinc/34/23/89/263342389.db2.gz WNJNPCVSXKALJW-OAHLLOKOSA-N 1 2 272.348 2.255 20 30 CEEDLO C=C1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000341989859 263381853 /nfs/dbraw/zinc/38/18/53/263381853.db2.gz BCYVDQWOEHRSCL-ZIAGYGMSSA-N 1 2 250.386 2.333 20 30 CEEDLO CN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1(C#N)CCC1 ZINC000342100212 263386678 /nfs/dbraw/zinc/38/66/78/263386678.db2.gz UQUOWRCPINEPEW-UHFFFAOYSA-N 1 2 294.358 2.450 20 30 CEEDLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)on1 ZINC000330804911 264043073 /nfs/dbraw/zinc/04/30/73/264043073.db2.gz BRDYIYHUMOTHIR-QWRGUYRKSA-N 1 2 290.367 2.192 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(F)c1 ZINC000330865775 264057400 /nfs/dbraw/zinc/05/74/00/264057400.db2.gz XMNGIQPYUYLHNO-MJVIPROJSA-N 1 2 275.327 2.435 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(C#N)c1 ZINC000330852417 264068485 /nfs/dbraw/zinc/06/84/85/264068485.db2.gz QRMOOICLXAMGJY-NJZAAPMLSA-N 1 2 282.347 2.167 20 30 CEEDLO CCOC(=O)CC1(NC(=O)c2c[nH+]c(C)[nH]2)CCCC1 ZINC000330964690 264090336 /nfs/dbraw/zinc/09/03/36/264090336.db2.gz RAKKWIFSPAKAPZ-UHFFFAOYSA-N 1 2 279.340 2.289 20 30 CEEDLO CC(C)=CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331073317 264114090 /nfs/dbraw/zinc/11/40/90/264114090.db2.gz FVTAKQKLEBSOSX-UHFFFAOYSA-N 1 2 276.384 2.232 20 30 CEEDLO Cc1cc(C)c(NC(=O)NC(C)(C)CCO)c(C)[nH+]1 ZINC000331329009 264191480 /nfs/dbraw/zinc/19/14/80/264191480.db2.gz NUZPIHNAXSVYCR-UHFFFAOYSA-N 1 2 265.357 2.303 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000331335641 264193803 /nfs/dbraw/zinc/19/38/03/264193803.db2.gz ITCUZZVYDRMPKE-DGCLKSJQSA-N 1 2 275.327 2.355 20 30 CEEDLO C=CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CCOCC1 ZINC000424870275 264257617 /nfs/dbraw/zinc/25/76/17/264257617.db2.gz KTBKWRWIAOXQSZ-ZDUSSCGKSA-N 1 2 291.395 2.453 20 30 CEEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000189848983 264334774 /nfs/dbraw/zinc/33/47/74/264334774.db2.gz NRHWGNCNRWCHBF-INIZCTEOSA-N 1 2 288.366 2.024 20 30 CEEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000189848983 264334776 /nfs/dbraw/zinc/33/47/76/264334776.db2.gz NRHWGNCNRWCHBF-INIZCTEOSA-N 1 2 288.366 2.024 20 30 CEEDLO C=CCCCN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000076945239 264350347 /nfs/dbraw/zinc/35/03/47/264350347.db2.gz CKUFGGAOGKKGNF-UHFFFAOYSA-N 1 2 286.379 2.484 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000291155220 264811613 /nfs/dbraw/zinc/81/16/13/264811613.db2.gz PKWWYKZBBAIZOI-KGLIPLIRSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000291155220 264811618 /nfs/dbraw/zinc/81/16/18/264811618.db2.gz PKWWYKZBBAIZOI-KGLIPLIRSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1conc1CC ZINC000293331245 264932734 /nfs/dbraw/zinc/93/27/34/264932734.db2.gz GMUXAUNQXRDVEH-ZDUSSCGKSA-N 1 2 291.395 2.258 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1conc1CC ZINC000293331245 264932735 /nfs/dbraw/zinc/93/27/35/264932735.db2.gz GMUXAUNQXRDVEH-ZDUSSCGKSA-N 1 2 291.395 2.258 20 30 CEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)CCn1cc[nH+]c1 ZINC000338069439 265597474 /nfs/dbraw/zinc/59/74/74/265597474.db2.gz VZTWIBJZFGHBNR-UHFFFAOYSA-N 1 2 294.358 2.360 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000356738353 266167010 /nfs/dbraw/zinc/16/70/10/266167010.db2.gz HWMDEJQNPNTKGS-LSDHHAIUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357940896 266387928 /nfs/dbraw/zinc/38/79/28/266387928.db2.gz XIZKFSYKUHBSRF-VXGBXAGGSA-N 1 2 276.384 2.311 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357940896 266387932 /nfs/dbraw/zinc/38/79/32/266387932.db2.gz XIZKFSYKUHBSRF-VXGBXAGGSA-N 1 2 276.384 2.311 20 30 CEEDLO C[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000357965149 266390896 /nfs/dbraw/zinc/39/08/96/266390896.db2.gz PPYZIJRKGRPCHN-ZDUSSCGKSA-N 1 2 286.379 2.238 20 30 CEEDLO COc1ccc(N2CCC([N@H+](C)CC#N)CC2)cc1 ZINC000363287832 267085648 /nfs/dbraw/zinc/08/56/48/267085648.db2.gz IUGLOVBYYASZBD-UHFFFAOYSA-N 1 2 259.353 2.119 20 30 CEEDLO COc1ccc(N2CCC([N@@H+](C)CC#N)CC2)cc1 ZINC000363287832 267085649 /nfs/dbraw/zinc/08/56/49/267085649.db2.gz IUGLOVBYYASZBD-UHFFFAOYSA-N 1 2 259.353 2.119 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000368569832 267187592 /nfs/dbraw/zinc/18/75/92/267187592.db2.gz XZRXBKTUVXMPMF-KRWDZBQOSA-N 1 2 273.376 2.294 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000368569832 267187593 /nfs/dbraw/zinc/18/75/93/267187593.db2.gz XZRXBKTUVXMPMF-KRWDZBQOSA-N 1 2 273.376 2.294 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000368823657 267208099 /nfs/dbraw/zinc/20/80/99/267208099.db2.gz PJJKCYKLUFJJQA-GFCCVEGCSA-N 1 2 256.777 2.216 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000368823657 267208101 /nfs/dbraw/zinc/20/81/01/267208101.db2.gz PJJKCYKLUFJJQA-GFCCVEGCSA-N 1 2 256.777 2.216 20 30 CEEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccon2)CC1 ZINC000369208479 267226553 /nfs/dbraw/zinc/22/65/53/267226553.db2.gz YIFFZKLVGMQAFS-UHFFFAOYSA-N 1 2 268.320 2.127 20 30 CEEDLO CCn1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000421382669 267253869 /nfs/dbraw/zinc/25/38/69/267253869.db2.gz MQMGWQMAMGXNMI-UHFFFAOYSA-N 1 2 258.300 2.204 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000450833343 267257771 /nfs/dbraw/zinc/25/77/71/267257771.db2.gz SOZFYSQOKLNJNE-SECBINFHSA-N 1 2 275.743 2.418 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)Cc1cccc(C#N)c1 ZINC000525949783 267295825 /nfs/dbraw/zinc/29/58/25/267295825.db2.gz FUJKUMISNXMCDS-UHFFFAOYSA-N 1 2 280.331 2.200 20 30 CEEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)c(OC)c1OC ZINC000418136502 267369037 /nfs/dbraw/zinc/36/90/37/267369037.db2.gz CGCMLQMUYCJTDQ-UHFFFAOYSA-N 1 2 290.363 2.496 20 30 CEEDLO C=CCN(CC)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371358158 267393472 /nfs/dbraw/zinc/39/34/72/267393472.db2.gz XJGHWFUDJUGWQR-CQSZACIVSA-N 1 2 288.395 2.268 20 30 CEEDLO Cc1c([C@@H]2CCC[N@@H+]2C[C@H](C#N)CCC#N)cnn1C ZINC000371377511 267397222 /nfs/dbraw/zinc/39/72/22/267397222.db2.gz CTVONNAKKABAKQ-ZFWWWQNUSA-N 1 2 271.368 2.309 20 30 CEEDLO Cc1c([C@@H]2CCC[N@H+]2C[C@H](C#N)CCC#N)cnn1C ZINC000371377511 267397225 /nfs/dbraw/zinc/39/72/25/267397225.db2.gz CTVONNAKKABAKQ-ZFWWWQNUSA-N 1 2 271.368 2.309 20 30 CEEDLO Cc1nnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000428300010 268076969 /nfs/dbraw/zinc/07/69/69/268076969.db2.gz YGUXCYQURRNCGN-UHFFFAOYSA-N 1 2 279.347 2.274 20 30 CEEDLO Cc1nnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000428300010 268076970 /nfs/dbraw/zinc/07/69/70/268076970.db2.gz YGUXCYQURRNCGN-UHFFFAOYSA-N 1 2 279.347 2.274 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789104 268164876 /nfs/dbraw/zinc/16/48/76/268164876.db2.gz PVXBATZMJCQOKL-UVARLRKDSA-N 1 2 292.379 2.183 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789104 268164877 /nfs/dbraw/zinc/16/48/77/268164877.db2.gz PVXBATZMJCQOKL-UVARLRKDSA-N 1 2 292.379 2.183 20 30 CEEDLO N#Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1F ZINC000493161740 268186046 /nfs/dbraw/zinc/18/60/46/268186046.db2.gz SBPIAKRPVBJPBN-DUXPYHPUSA-N 1 2 256.240 2.072 20 30 CEEDLO N#Cc1cscc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000432068974 268320023 /nfs/dbraw/zinc/32/00/23/268320023.db2.gz IAUDTFLUHHEQHG-UHFFFAOYSA-N 1 2 296.355 2.240 20 30 CEEDLO CCN1CCN(c2ccc(C#N)cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000530533675 269656013 /nfs/dbraw/zinc/65/60/13/269656013.db2.gz QRULJUMUZCNTSX-HNNXBMFYSA-N 1 2 299.353 2.304 20 30 CEEDLO Cc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c(C#N)cn1 ZINC000425258247 271147822 /nfs/dbraw/zinc/14/78/22/271147822.db2.gz JYTRATQQSUVHQB-UHFFFAOYSA-N 1 2 293.374 2.292 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000425274761 271151029 /nfs/dbraw/zinc/15/10/29/271151029.db2.gz AJFZKCQFLNZINA-LLVKDONJSA-N 1 2 292.346 2.432 20 30 CEEDLO Cc1ccn2c(C[NH+]3CCC(F)(C#N)CC3)cnc2c1 ZINC000348714664 278977816 /nfs/dbraw/zinc/97/78/16/278977816.db2.gz OAXIPSQDEPGRPR-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000066155786 279196877 /nfs/dbraw/zinc/19/68/77/279196877.db2.gz HBONOAYEIQLSOF-UHFFFAOYSA-N 1 2 252.749 2.118 20 30 CEEDLO Cc1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1C1CC1 ZINC000154843233 289156371 /nfs/dbraw/zinc/15/63/71/289156371.db2.gz NKWHOQZFJQCBDI-UHFFFAOYSA-N 1 2 281.363 2.425 20 30 CEEDLO Cc1nnc(C[N@H+](C)Cc2ccc(C#N)cc2)n1C1CC1 ZINC000154843233 289156373 /nfs/dbraw/zinc/15/63/73/289156373.db2.gz NKWHOQZFJQCBDI-UHFFFAOYSA-N 1 2 281.363 2.425 20 30 CEEDLO Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)cc1C#N ZINC000532766993 298150457 /nfs/dbraw/zinc/15/04/57/298150457.db2.gz GJILSRHJTTWQFJ-UHFFFAOYSA-N 1 2 268.242 2.475 20 30 CEEDLO COC(=O)c1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1C#N ZINC000548425118 298410254 /nfs/dbraw/zinc/41/02/54/298410254.db2.gz OOQIVBDPWPBIJN-QWRGUYRKSA-N 1 2 258.321 2.328 20 30 CEEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1F ZINC000570726425 327614473 /nfs/dbraw/zinc/61/44/73/327614473.db2.gz ARGPSNAWROZGRW-BLLLJJGKSA-N 1 2 291.370 2.279 20 30 CEEDLO Cc1cccn2cc(C[NH2+]Cc3ccc(C#N)o3)nc12 ZINC000174413013 312690015 /nfs/dbraw/zinc/69/00/15/312690015.db2.gz PKTRHVBXXIZTRW-UHFFFAOYSA-N 1 2 266.304 2.397 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(O)ccc1Br ZINC000183829347 327766297 /nfs/dbraw/zinc/76/62/97/327766297.db2.gz MQSFTCLXBHQFOY-QMMMGPOBSA-N 1 2 269.142 2.404 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565092553 313795376 /nfs/dbraw/zinc/79/53/76/313795376.db2.gz LOFLZYQMCJBPGV-NSHDSACASA-N 1 2 283.335 2.386 20 30 CEEDLO CCCc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000580718071 327819884 /nfs/dbraw/zinc/81/98/84/327819884.db2.gz OLNODXNRVCKDIX-INIZCTEOSA-N 1 2 273.380 2.213 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C(=O)OC)nc1C#N ZINC000570740042 314056230 /nfs/dbraw/zinc/05/62/30/314056230.db2.gz YDBSZLOMWDSAKO-JTQLQIEISA-N 1 2 299.334 2.129 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000577615671 314395944 /nfs/dbraw/zinc/39/59/44/314395944.db2.gz WARXTNWKBQLXHI-DZGCQCFKSA-N 1 2 287.319 2.220 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000577615671 314395945 /nfs/dbraw/zinc/39/59/45/314395945.db2.gz WARXTNWKBQLXHI-DZGCQCFKSA-N 1 2 287.319 2.220 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000531563830 328018195 /nfs/dbraw/zinc/01/81/95/328018195.db2.gz OUZMSSSBBBLOCW-AVERBVTBSA-N 1 2 272.352 2.056 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccccc1 ZINC000563367166 328059858 /nfs/dbraw/zinc/05/98/58/328059858.db2.gz UJWSPCZQEGNRAA-TZMCWYRMSA-N 1 2 259.353 2.146 20 30 CEEDLO C[C@@H](CCO)C1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCC1 ZINC000271859233 328198302 /nfs/dbraw/zinc/19/83/02/328198302.db2.gz YEQYUJRMPFPAKB-DTQASYIRSA-N 1 2 293.363 2.411 20 30 CEEDLO NC(COc1ccccc1F)=[NH+]OCC1CCC1 ZINC000275537989 328215358 /nfs/dbraw/zinc/21/53/58/328215358.db2.gz RXRCWWBLFUBWDA-UHFFFAOYSA-N 1 2 252.289 2.293 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2S[C@H]1CC[C@H](C#N)C1 ZINC000278629137 328228718 /nfs/dbraw/zinc/22/87/18/328228718.db2.gz TYMPIIXVUXKJSW-IUCAKERBSA-N 1 2 259.338 2.148 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000293551051 328276672 /nfs/dbraw/zinc/27/66/72/328276672.db2.gz RDYNXCBFPLPDCG-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000293551051 328276675 /nfs/dbraw/zinc/27/66/75/328276675.db2.gz RDYNXCBFPLPDCG-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000390305805 321893515 /nfs/dbraw/zinc/89/35/15/321893515.db2.gz DNTJZDDLAPUFKA-UHFFFAOYSA-N 1 2 297.181 2.395 20 30 CEEDLO CC[C@@H](C#N)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255153526 326952848 /nfs/dbraw/zinc/95/28/48/326952848.db2.gz ILDJQNXYBXBLHG-PODYEWJSSA-N 1 2 280.331 2.304 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]CC#Cc1cccc(F)c1 ZINC000565653058 326987959 /nfs/dbraw/zinc/98/79/59/326987959.db2.gz FPCYAIIJDINLIX-AWEZNQCLSA-N 1 2 255.296 2.210 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccc(C(=O)OC)o1 ZINC000565783358 327011834 /nfs/dbraw/zinc/01/18/34/327011834.db2.gz NWVFEQNXMCAOMX-VHSXEESVSA-N 1 2 250.298 2.409 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cnc(C3CC3)s2)nn1 ZINC000584167157 327054757 /nfs/dbraw/zinc/05/47/57/327054757.db2.gz XHPHNBDKGJQDLM-UHFFFAOYSA-N 1 2 275.381 2.088 20 30 CEEDLO Cc1cccn2cc(CC(=O)N[C@](C)(C#N)C(C)C)[nH+]c12 ZINC000558696190 327114562 /nfs/dbraw/zinc/11/45/62/327114562.db2.gz ITGGRKWTCOTUTB-MRXNPFEDSA-N 1 2 284.363 2.240 20 30 CEEDLO C[C@@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(=O)N1c1ccccc1 ZINC000561475713 327397937 /nfs/dbraw/zinc/39/79/37/327397937.db2.gz XLSNYBGFJWZUOS-IIAWOOMASA-N 1 2 296.374 2.214 20 30 CEEDLO N#CCc1ccnc(NC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000532181676 328702897 /nfs/dbraw/zinc/70/28/97/328702897.db2.gz LFGSDZOELBBRJD-UHFFFAOYSA-N 1 2 277.287 2.048 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378410822 329049570 /nfs/dbraw/zinc/04/95/70/329049570.db2.gz SFXSWGKYFSBSRQ-LBPRGKRZSA-N 1 2 263.341 2.056 20 30 CEEDLO C=CCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000175088763 329162858 /nfs/dbraw/zinc/16/28/58/329162858.db2.gz FIFCKPFMQYZYBX-UHFFFAOYSA-N 1 2 259.353 2.087 20 30 CEEDLO O=C(C#Cc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000176160686 329172117 /nfs/dbraw/zinc/17/21/17/329172117.db2.gz UHUVTZZHYRNXSU-UHFFFAOYSA-N 1 2 279.343 2.098 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000582973318 329296849 /nfs/dbraw/zinc/29/68/49/329296849.db2.gz VLVKYEHVGSXYLC-RYUDHWBXSA-N 1 2 275.352 2.304 20 30 CEEDLO C=CCCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186392399 329343805 /nfs/dbraw/zinc/34/38/05/329343805.db2.gz ROKBVKSBQCZAMG-UHFFFAOYSA-N 1 2 259.353 2.087 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000128221525 329606193 /nfs/dbraw/zinc/60/61/93/329606193.db2.gz BQJREEAHMYGEDZ-CYBMUJFWSA-N 1 2 284.363 2.305 20 30 CEEDLO C=CCCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130332949 329624249 /nfs/dbraw/zinc/62/42/49/329624249.db2.gz PSAPWOAZUWJOKJ-ZDUSSCGKSA-N 1 2 259.353 2.133 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cc(C)ccc2OC)nn1 ZINC000424176644 330316699 /nfs/dbraw/zinc/31/66/99/330316699.db2.gz YFCXLCOAAOBLPR-UHFFFAOYSA-N 1 2 272.352 2.071 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(C)ccn2)nn1 ZINC000424293772 330335436 /nfs/dbraw/zinc/33/54/36/330335436.db2.gz JGCQBFRJXAXOFI-LBPRGKRZSA-N 1 2 257.341 2.018 20 30 CEEDLO C=CC[NH+](CC=C)Cc1cccc(S(C)(=O)=O)c1 ZINC000449002568 330890663 /nfs/dbraw/zinc/89/06/63/330890663.db2.gz LLBADRDGSOUEFU-UHFFFAOYSA-N 1 2 265.378 2.264 20 30 CEEDLO C=CCC[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000450892959 331005274 /nfs/dbraw/zinc/00/52/74/331005274.db2.gz FZPCLBPDPGQWRU-LBPRGKRZSA-N 1 2 261.369 2.403 20 30 CEEDLO C=CCCO[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335119 331062659 /nfs/dbraw/zinc/06/26/59/331062659.db2.gz PFOFTHGPAWBYDS-LLVKDONJSA-N 1 2 263.341 2.139 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000454243983 331142674 /nfs/dbraw/zinc/14/26/74/331142674.db2.gz PSHSJFFMIIMGOJ-UHFFFAOYSA-N 1 2 286.379 2.388 20 30 CEEDLO C=CCOCCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456354035 331190562 /nfs/dbraw/zinc/19/05/62/331190562.db2.gz NKHJYTGDLVIFKX-GFCCVEGCSA-N 1 2 265.357 2.063 20 30 CEEDLO CC[C@](C)(C#N)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457318754 331218963 /nfs/dbraw/zinc/21/89/63/331218963.db2.gz UQYKASNKUAOCRN-GFCCVEGCSA-N 1 2 266.370 2.083 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(C)(C)CC#N ZINC000459053097 331268585 /nfs/dbraw/zinc/26/85/85/331268585.db2.gz GZBNAORZYOARIB-NSHDSACASA-N 1 2 277.372 2.203 20 30 CEEDLO C=C(CC)CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000459069849 331269009 /nfs/dbraw/zinc/26/90/09/331269009.db2.gz FLCWMXHYLZGEDQ-KBPBESRZSA-N 1 2 276.384 2.442 20 30 CEEDLO C=CCOc1cccc(C[NH+]2CC(OCCCOC)C2)c1 ZINC000459598759 331290035 /nfs/dbraw/zinc/29/00/35/331290035.db2.gz VZPVVBVOEQHXID-UHFFFAOYSA-N 1 2 291.391 2.489 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000489501893 332056898 /nfs/dbraw/zinc/05/68/98/332056898.db2.gz XREPHQRLLLDXMX-CYBMUJFWSA-N 1 2 293.436 2.314 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000489501893 332056900 /nfs/dbraw/zinc/05/69/00/332056900.db2.gz XREPHQRLLLDXMX-CYBMUJFWSA-N 1 2 293.436 2.314 20 30 CEEDLO C=CCCCS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000489609931 332061338 /nfs/dbraw/zinc/06/13/38/332061338.db2.gz SNIJOKXRJSLYLI-LBPRGKRZSA-N 1 2 283.397 2.233 20 30 CEEDLO C#CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000490656718 332100599 /nfs/dbraw/zinc/10/05/99/332100599.db2.gz MCNALBWYQKIWPH-UHFFFAOYSA-N 1 2 252.273 2.237 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C(C)=O)s1 ZINC000490892963 332125823 /nfs/dbraw/zinc/12/58/23/332125823.db2.gz POKNIVOXMWNOHL-LBPRGKRZSA-N 1 2 291.372 2.205 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(C(C)=O)s1 ZINC000490892963 332125824 /nfs/dbraw/zinc/12/58/24/332125824.db2.gz POKNIVOXMWNOHL-LBPRGKRZSA-N 1 2 291.372 2.205 20 30 CEEDLO C#CC[N@@H+](CC)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000490950110 332132437 /nfs/dbraw/zinc/13/24/37/332132437.db2.gz ONAITFQRWKVRFB-UHFFFAOYSA-N 1 2 279.405 2.324 20 30 CEEDLO C#CC[N@H+](CC)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000490950110 332132438 /nfs/dbraw/zinc/13/24/38/332132438.db2.gz ONAITFQRWKVRFB-UHFFFAOYSA-N 1 2 279.405 2.324 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491208936 332165963 /nfs/dbraw/zinc/16/59/63/332165963.db2.gz AVLUEBPFOLLGBO-UHFFFAOYSA-N 1 2 289.335 2.185 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491208936 332165965 /nfs/dbraw/zinc/16/59/65/332165965.db2.gz AVLUEBPFOLLGBO-UHFFFAOYSA-N 1 2 289.335 2.185 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000491210723 332167073 /nfs/dbraw/zinc/16/70/73/332167073.db2.gz XYIYWNCOLBRNBW-BQYQJAHWSA-N 1 2 283.306 2.224 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000491414396 332207418 /nfs/dbraw/zinc/20/74/18/332207418.db2.gz CKMFODUDKLRLSS-PWSUYJOCSA-N 1 2 250.367 2.448 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000491414396 332207419 /nfs/dbraw/zinc/20/74/19/332207419.db2.gz CKMFODUDKLRLSS-PWSUYJOCSA-N 1 2 250.367 2.448 20 30 CEEDLO C#C[C@@H](CC)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000491569387 332240245 /nfs/dbraw/zinc/24/02/45/332240245.db2.gz VWBWCTRBNAZYHQ-LBPRGKRZSA-N 1 2 269.348 2.127 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000491625079 332248995 /nfs/dbraw/zinc/24/89/95/332248995.db2.gz KCYLWENQCCLNIP-OAHLLOKOSA-N 1 2 299.418 2.487 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000491625079 332248997 /nfs/dbraw/zinc/24/89/97/332248997.db2.gz KCYLWENQCCLNIP-OAHLLOKOSA-N 1 2 299.418 2.487 20 30 CEEDLO C#C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC000491674538 332280303 /nfs/dbraw/zinc/28/03/03/332280303.db2.gz KLXWBUDLBYYTPQ-CYBMUJFWSA-N 1 2 287.750 2.405 20 30 CEEDLO C#C[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1 ZINC000491674538 332280305 /nfs/dbraw/zinc/28/03/05/332280305.db2.gz KLXWBUDLBYYTPQ-CYBMUJFWSA-N 1 2 287.750 2.405 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)cc1 ZINC000491682129 332284940 /nfs/dbraw/zinc/28/49/40/332284940.db2.gz PUKMWSWGRSADEU-OAHLLOKOSA-N 1 2 259.280 2.375 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cnc2cnccn12)c1ccc(F)cc1 ZINC000491740034 332319049 /nfs/dbraw/zinc/31/90/49/332319049.db2.gz OEPSMDPVZKDMDH-HNNXBMFYSA-N 1 2 280.306 2.333 20 30 CEEDLO C#C[C@@H](CC)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491787495 332349913 /nfs/dbraw/zinc/34/99/13/332349913.db2.gz VVVAYVATPBOBIL-ZDUSSCGKSA-N 1 2 269.348 2.263 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000491788674 332351132 /nfs/dbraw/zinc/35/11/32/332351132.db2.gz XRVFTZIPADABFX-CQSZACIVSA-N 1 2 282.343 2.083 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000491788674 332351133 /nfs/dbraw/zinc/35/11/33/332351133.db2.gz XRVFTZIPADABFX-CQSZACIVSA-N 1 2 282.343 2.083 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000491789720 332351975 /nfs/dbraw/zinc/35/19/75/332351975.db2.gz ZYWYDEIWRKPOKE-VIFPVBQESA-N 1 2 275.739 2.442 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000491789720 332351977 /nfs/dbraw/zinc/35/19/77/332351977.db2.gz ZYWYDEIWRKPOKE-VIFPVBQESA-N 1 2 275.739 2.442 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000491809431 332362269 /nfs/dbraw/zinc/36/22/69/332362269.db2.gz GLJHUOJLBSJQPU-ZDUSSCGKSA-N 1 2 282.347 2.035 20 30 CEEDLO C#C[C@H](CCC)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491818127 332368486 /nfs/dbraw/zinc/36/84/86/332368486.db2.gz XJNDTJGKVCLVOF-MRXNPFEDSA-N 1 2 295.386 2.392 20 30 CEEDLO C#CC[N@@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000192234568 333233353 /nfs/dbraw/zinc/23/33/53/333233353.db2.gz RGPVOZDMFGTNFA-UHFFFAOYSA-N 1 2 261.275 2.216 20 30 CEEDLO C#CC[N@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000192234568 333233354 /nfs/dbraw/zinc/23/33/54/333233354.db2.gz RGPVOZDMFGTNFA-UHFFFAOYSA-N 1 2 261.275 2.216 20 30 CEEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000194343589 333269591 /nfs/dbraw/zinc/26/95/91/333269591.db2.gz WJQSDCHFGFMKIS-UHFFFAOYSA-N 1 2 280.331 2.438 20 30 CEEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)cc2c1OCO2 ZINC000547340611 334081294 /nfs/dbraw/zinc/08/12/94/334081294.db2.gz MMOWBAGZPVRSHU-UHFFFAOYSA-N 1 2 297.314 2.497 20 30 CEEDLO COc1cc2c(cc1C[NH2+]C[C@H](C)C#N)O[C@@H](C)C2 ZINC000134865122 334106374 /nfs/dbraw/zinc/10/63/74/334106374.db2.gz MHBHJROOJVKRGU-MNOVXSKESA-N 1 2 260.337 2.268 20 30 CEEDLO N#CCCN(CCC1CCCC1)CC[NH+]1CCOCC1 ZINC000081158277 334179757 /nfs/dbraw/zinc/17/97/57/334179757.db2.gz CARVSTCXJILPMK-UHFFFAOYSA-N 1 2 279.428 2.115 20 30 CEEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C#N)CC1 ZINC000142079506 334318740 /nfs/dbraw/zinc/31/87/40/334318740.db2.gz DXCVQRRXUQSYLF-CYBMUJFWSA-N 1 2 283.375 2.200 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000567121678 334682918 /nfs/dbraw/zinc/68/29/18/334682918.db2.gz MEMGYTSTFXGJJX-NSHDSACASA-N 1 2 263.297 2.385 20 30 CEEDLO N#CCC[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000567689217 334752099 /nfs/dbraw/zinc/75/20/99/334752099.db2.gz FQIXGMQGXUSWQA-GFCCVEGCSA-N 1 2 277.755 2.339 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000568465188 334825833 /nfs/dbraw/zinc/82/58/33/334825833.db2.gz ASDWROFJXLPEGY-CYBMUJFWSA-N 1 2 282.347 2.448 20 30 CEEDLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568635117 334833976 /nfs/dbraw/zinc/83/39/76/334833976.db2.gz RTRIFUZWACTSHW-JZXOWHBKSA-N 1 2 299.418 2.313 20 30 CEEDLO C=CC1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000572828569 334881813 /nfs/dbraw/zinc/88/18/13/334881813.db2.gz QUBKIKOGGYRKCA-AWEZNQCLSA-N 1 2 288.395 2.479 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000578761637 335671663 /nfs/dbraw/zinc/67/16/63/335671663.db2.gz LDWAEJINNZNPLJ-NSHDSACASA-N 1 2 290.754 2.432 20 30 CEEDLO N#CC1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000578883560 335685109 /nfs/dbraw/zinc/68/51/09/335685109.db2.gz QAUMMDGDNNJXOF-AWEZNQCLSA-N 1 2 294.358 2.352 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)cc1Cl ZINC000579186678 335719048 /nfs/dbraw/zinc/71/90/48/335719048.db2.gz CVOJZXDGUTYFBU-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000183837772 335909522 /nfs/dbraw/zinc/90/95/22/335909522.db2.gz FHEMDQPBUHCNDL-VIFPVBQESA-N 1 2 262.744 2.476 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000581113673 336010185 /nfs/dbraw/zinc/01/01/85/336010185.db2.gz ZNNSAYGCXKZMEG-ZBFHGGJFSA-N 1 2 297.358 2.254 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC(C#N)CC1 ZINC000336570325 534676235 /nfs/dbraw/zinc/67/62/35/534676235.db2.gz MQKCVDYPPVJAKZ-UHFFFAOYSA-N 1 2 296.374 2.497 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NC1CC1)C2 ZINC000329188924 526813543 /nfs/dbraw/zinc/81/35/43/526813543.db2.gz BUKPNJREHMDYOE-LLVKDONJSA-N 1 2 276.384 2.161 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C1CC1)C2 ZINC000329188924 526813549 /nfs/dbraw/zinc/81/35/49/526813549.db2.gz BUKPNJREHMDYOE-LLVKDONJSA-N 1 2 276.384 2.161 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000356148843 527493187 /nfs/dbraw/zinc/49/31/87/527493187.db2.gz STQCXQMBTZWBQJ-UHFFFAOYSA-N 1 2 268.320 2.141 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000356148843 527493193 /nfs/dbraw/zinc/49/31/93/527493193.db2.gz STQCXQMBTZWBQJ-UHFFFAOYSA-N 1 2 268.320 2.141 20 30 CEEDLO CC1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000329135658 527902529 /nfs/dbraw/zinc/90/25/29/527902529.db2.gz QQCMDXFTDRUZDH-GFCCVEGCSA-N 1 2 277.368 2.219 20 30 CEEDLO CC1(C)CCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330200171 528965537 /nfs/dbraw/zinc/96/55/37/528965537.db2.gz WKHMKUNCKQIXMB-NEPJUHHUSA-N 1 2 276.384 2.280 20 30 CEEDLO CC1(C)CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330200171 528965541 /nfs/dbraw/zinc/96/55/41/528965541.db2.gz WKHMKUNCKQIXMB-NEPJUHHUSA-N 1 2 276.384 2.280 20 30 CEEDLO CCN1CCN(C(=O)Nc2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330059478 529135924 /nfs/dbraw/zinc/13/59/24/529135924.db2.gz KZGWBBILTICZQJ-CQSZACIVSA-N 1 2 299.378 2.334 20 30 CEEDLO Cn1cc[nH+]c1CN=Nc1oc(C(C)(C)C)nc1C#N ZINC000727257600 574449725 /nfs/dbraw/zinc/44/97/25/574449725.db2.gz TZZRSHLMQBTTJJ-UHFFFAOYSA-N 1 2 272.312 2.023 20 30 CEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000728863539 574472837 /nfs/dbraw/zinc/47/28/37/574472837.db2.gz VZAXYKAVXQWFQV-CQSZACIVSA-N 1 2 280.331 2.153 20 30 CEEDLO C=CCOCC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000729333609 574485358 /nfs/dbraw/zinc/48/53/58/574485358.db2.gz ZNNHQKYWRKDWKF-UHFFFAOYSA-N 1 2 283.397 2.126 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCSCC(=O)OC)c(O)c1 ZINC000729819225 574493587 /nfs/dbraw/zinc/49/35/87/574493587.db2.gz GNVDLERCIJQGGB-OQLLNIDSSA-N 1 2 297.376 2.116 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000730275166 574513114 /nfs/dbraw/zinc/51/31/14/574513114.db2.gz XKKTVODHTNTIBR-LBPRGKRZSA-N 1 2 289.404 2.058 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000730275166 574513115 /nfs/dbraw/zinc/51/31/15/574513115.db2.gz XKKTVODHTNTIBR-LBPRGKRZSA-N 1 2 289.404 2.058 20 30 CEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000731158813 574590612 /nfs/dbraw/zinc/59/06/12/574590612.db2.gz JCMUDQWAQPZWFB-SNAWJCMRSA-N 1 2 283.287 2.262 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000732066638 574611378 /nfs/dbraw/zinc/61/13/78/574611378.db2.gz VAOMQWVIGAMXKW-HNNXBMFYSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000732066638 574611380 /nfs/dbraw/zinc/61/13/80/574611380.db2.gz VAOMQWVIGAMXKW-HNNXBMFYSA-N 1 2 294.358 2.113 20 30 CEEDLO C=CC1CC[NH+](Cn2ncn(CC)c2=S)CC1 ZINC000732181390 574614295 /nfs/dbraw/zinc/61/42/95/574614295.db2.gz UDKDMWZUCMUJSA-UHFFFAOYSA-N 1 2 252.387 2.289 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]cc2-c2ccccc2)CC1 ZINC000733160649 574647314 /nfs/dbraw/zinc/64/73/14/574647314.db2.gz FLWTZDBPOJCFAL-UHFFFAOYSA-N 1 2 293.370 2.073 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000734157357 574703911 /nfs/dbraw/zinc/70/39/11/574703911.db2.gz ATMXEKPDZWNGRP-CQSZACIVSA-N 1 2 267.332 2.232 20 30 CEEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000755668132 574744177 /nfs/dbraw/zinc/74/41/77/574744177.db2.gz CEVWARGUKLYIIN-UHFFFAOYSA-N 1 2 299.418 2.443 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCc2ccccc2C1 ZINC000755668132 574744178 /nfs/dbraw/zinc/74/41/78/574744178.db2.gz CEVWARGUKLYIIN-UHFFFAOYSA-N 1 2 299.418 2.443 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN=Nc3ccc(Cl)nn3)n2c1 ZINC000736427748 574787840 /nfs/dbraw/zinc/78/78/40/574787840.db2.gz DCWILMAAETXBEL-UHFFFAOYSA-N 1 2 297.709 2.095 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)N(C)C)cc1F ZINC000739412453 574916920 /nfs/dbraw/zinc/91/69/20/574916920.db2.gz ZSNRTOZBAPIHMP-UHFFFAOYSA-N 1 2 296.415 2.442 20 30 CEEDLO C=CCCO[NH+]=C(N)COCc1cccc(OC)c1 ZINC000740872888 574970697 /nfs/dbraw/zinc/97/06/97/574970697.db2.gz QNQPZYORHGTYGL-UHFFFAOYSA-N 1 2 264.325 2.286 20 30 CEEDLO NC(=[NH+]OCc1nnc(C2CC2)o1)c1ccc(Cl)cc1 ZINC000742353146 575015556 /nfs/dbraw/zinc/01/55/56/575015556.db2.gz RJMWDDVUXYTVDP-UHFFFAOYSA-N 1 2 292.726 2.438 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC)(CC)SC ZINC000742841876 575035715 /nfs/dbraw/zinc/03/57/15/575035715.db2.gz GYZZIFNSCDLYKC-ZDUSSCGKSA-N 1 2 282.453 2.122 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC)(CC)SC ZINC000742841876 575035717 /nfs/dbraw/zinc/03/57/17/575035717.db2.gz GYZZIFNSCDLYKC-ZDUSSCGKSA-N 1 2 282.453 2.122 20 30 CEEDLO COc1cccc(/C=[NH+]\CCc2nnc3ccccn32)c1O ZINC000743340560 575049134 /nfs/dbraw/zinc/04/91/34/575049134.db2.gz HENFMIYFPWAZBL-BOPFTXTBSA-N 1 2 296.330 2.105 20 30 CEEDLO N#Cc1ccc(CN2CCC[N@@H+](CCF)CC2)cc1 ZINC000746499623 575157797 /nfs/dbraw/zinc/15/77/97/575157797.db2.gz NCDNRTLULPJYSA-UHFFFAOYSA-N 1 2 261.344 2.035 20 30 CEEDLO N#Cc1ccc(CN2CCC[N@H+](CCF)CC2)cc1 ZINC000746499623 575157798 /nfs/dbraw/zinc/15/77/98/575157798.db2.gz NCDNRTLULPJYSA-UHFFFAOYSA-N 1 2 261.344 2.035 20 30 CEEDLO COCC[N@@H+](CCC#N)CCOc1ccccc1C ZINC000749118352 575205946 /nfs/dbraw/zinc/20/59/46/575205946.db2.gz YSRDJHFOYXJBJC-UHFFFAOYSA-N 1 2 262.353 2.236 20 30 CEEDLO COCC[N@H+](CCC#N)CCOc1ccccc1C ZINC000749118352 575205947 /nfs/dbraw/zinc/20/59/47/575205947.db2.gz YSRDJHFOYXJBJC-UHFFFAOYSA-N 1 2 262.353 2.236 20 30 CEEDLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787038 575234141 /nfs/dbraw/zinc/23/41/41/575234141.db2.gz CLEQQRQGQVGMHR-ZJUUUORDSA-N 1 2 297.786 2.280 20 30 CEEDLO C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCN2C(=O)[O-])CC1 ZINC000823506186 605498683 /nfs/dbraw/zinc/49/86/83/605498683.db2.gz CNHUGBTZPDKRFT-UKRRQHHQSA-N 1 2 295.427 2.147 20 30 CEEDLO CC(C)C[N@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824255324 608497108 /nfs/dbraw/zinc/49/71/08/608497108.db2.gz DZBFPTNASJGLJD-UHFFFAOYSA-N 1 2 290.396 2.300 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824255324 608497109 /nfs/dbraw/zinc/49/71/09/608497109.db2.gz DZBFPTNASJGLJD-UHFFFAOYSA-N 1 2 290.396 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000952446568 613295660 /nfs/dbraw/zinc/29/56/60/613295660.db2.gz POPXYLNOKCBFCX-HOTGVXAUSA-N 1 2 292.423 2.076 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000952325142 613295995 /nfs/dbraw/zinc/29/59/95/613295995.db2.gz TXYCASHXPSVASP-UHFFFAOYSA-N 1 2 288.395 2.010 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3c(cn2)CCCC3)CC1 ZINC000949205835 613320474 /nfs/dbraw/zinc/32/04/74/613320474.db2.gz RWADIXIQINLNAE-UHFFFAOYSA-N 1 2 299.418 2.294 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccncc2C)C1 ZINC000969610159 613372299 /nfs/dbraw/zinc/37/22/99/613372299.db2.gz ZFCNVGBAYWBXDP-LBPRGKRZSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000981883612 613373339 /nfs/dbraw/zinc/37/33/39/613373339.db2.gz ZYMHUMCQELLGKM-DGCLKSJQSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000981883612 613373340 /nfs/dbraw/zinc/37/33/40/613373340.db2.gz ZYMHUMCQELLGKM-DGCLKSJQSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC000981829422 613373606 /nfs/dbraw/zinc/37/36/06/613373606.db2.gz AWCZFUYCTMGGFW-CHWSQXEVSA-N 1 2 288.794 2.411 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC000981829422 613373607 /nfs/dbraw/zinc/37/36/07/613373607.db2.gz AWCZFUYCTMGGFW-CHWSQXEVSA-N 1 2 288.794 2.411 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000980917045 613373720 /nfs/dbraw/zinc/37/37/20/613373720.db2.gz YKGAGJGSCCRCIM-LBPRGKRZSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000980917045 613373721 /nfs/dbraw/zinc/37/37/21/613373721.db2.gz YKGAGJGSCCRCIM-LBPRGKRZSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC2)C1 ZINC000966261411 613375305 /nfs/dbraw/zinc/37/53/05/613375305.db2.gz HHXFHXFPVFXBMC-PWSUYJOCSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC2)C1 ZINC000966261411 613375306 /nfs/dbraw/zinc/37/53/06/613375306.db2.gz HHXFHXFPVFXBMC-PWSUYJOCSA-N 1 2 270.804 2.366 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC000950008074 613653175 /nfs/dbraw/zinc/65/31/75/613653175.db2.gz WWSFILOKJFADCB-UHFFFAOYSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]2C(F)F)C1 ZINC000950509085 613654215 /nfs/dbraw/zinc/65/42/15/613654215.db2.gz XSVPOSCYHVTBIF-CHWSQXEVSA-N 1 2 286.366 2.387 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC000952394619 613654387 /nfs/dbraw/zinc/65/43/87/613654387.db2.gz LCBVJGZUMRBAOB-QWHCGFSZSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccn3c2CCCC3)C1 ZINC000950524746 613658476 /nfs/dbraw/zinc/65/84/76/613658476.db2.gz IQQBSZPVSXHJHG-UHFFFAOYSA-N 1 2 287.407 2.157 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)COc2c(C)cccc2C)CC1 ZINC000957572363 613708329 /nfs/dbraw/zinc/70/83/29/613708329.db2.gz INMIUANDQAQSMQ-UHFFFAOYSA-N 1 2 288.391 2.012 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000951590712 613711797 /nfs/dbraw/zinc/71/17/97/613711797.db2.gz HKGUMXYMABQFRW-LSDHHAIUSA-N 1 2 288.366 2.259 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC000957846156 613712458 /nfs/dbraw/zinc/71/24/58/613712458.db2.gz TWIHJXUHPYFVMU-SFHVURJKSA-N 1 2 284.403 2.221 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC000950650028 613715803 /nfs/dbraw/zinc/71/58/03/613715803.db2.gz HXWLOZOPPNLTOP-UHFFFAOYSA-N 1 2 256.349 2.273 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000957072201 613717920 /nfs/dbraw/zinc/71/79/20/613717920.db2.gz DYBWSFYRHXPHPZ-UHFFFAOYSA-N 1 2 299.349 2.318 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000951204498 613718591 /nfs/dbraw/zinc/71/85/91/613718591.db2.gz GVWPVRBXWUFROJ-UHFFFAOYSA-N 1 2 270.785 2.345 20 30 CEEDLO CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960340418 613876572 /nfs/dbraw/zinc/87/65/72/613876572.db2.gz BWCWKYSZRASDIL-INIZCTEOSA-N 1 2 289.354 2.140 20 30 CEEDLO CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960340418 613876574 /nfs/dbraw/zinc/87/65/74/613876574.db2.gz BWCWKYSZRASDIL-INIZCTEOSA-N 1 2 289.354 2.140 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001024362463 625523777 /nfs/dbraw/zinc/52/37/77/625523777.db2.gz LANURHVEKQJQLB-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001024362463 625523788 /nfs/dbraw/zinc/52/37/88/625523788.db2.gz LANURHVEKQJQLB-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO C=CC[C@@H]1CCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000890560362 622601192 /nfs/dbraw/zinc/60/11/92/622601192.db2.gz IXXKNPIVWWIAAD-CQSZACIVSA-N 1 2 269.348 2.362 20 30 CEEDLO CC[C@H]([NH2+][C@H](CO)CCF)c1cccc(C#N)c1O ZINC000926654478 625629457 /nfs/dbraw/zinc/62/94/57/625629457.db2.gz FDAPSRKHXJZEQT-AAEUAGOBSA-N 1 2 266.316 2.025 20 30 CEEDLO c1ccc(C[N@@H+]2CCC(=NN[C@@H]3CCSC3)C2)cc1 ZINC000807999727 623296333 /nfs/dbraw/zinc/29/63/33/623296333.db2.gz ABGKBENIIWEUJA-OAHLLOKOSA-N 1 2 275.421 2.343 20 30 CEEDLO c1ccc(C[N@H+]2CCC(=NN[C@@H]3CCSC3)C2)cc1 ZINC000807999727 623296340 /nfs/dbraw/zinc/29/63/40/623296340.db2.gz ABGKBENIIWEUJA-OAHLLOKOSA-N 1 2 275.421 2.343 20 30 CEEDLO C=CC[S@](=O)(=NC(=O)C(=C)C[NH+](C)C)c1ccccc1 ZINC000891379081 623549096 /nfs/dbraw/zinc/54/90/96/623549096.db2.gz ADBDMOVNJONMCS-HXUWFJFHSA-N 1 2 292.404 2.344 20 30 CEEDLO CC(C)OCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933621420 623929381 /nfs/dbraw/zinc/92/93/81/623929381.db2.gz BSELXHUIUSWSBK-MRXNPFEDSA-N 1 2 274.364 2.357 20 30 CEEDLO CC(C)OCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933621420 623929382 /nfs/dbraw/zinc/92/93/82/623929382.db2.gz BSELXHUIUSWSBK-MRXNPFEDSA-N 1 2 274.364 2.357 20 30 CEEDLO CC[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(C#N)c1O ZINC000926230036 623965749 /nfs/dbraw/zinc/96/57/49/623965749.db2.gz XVJCBZLGSHSWOI-CQSZACIVSA-N 1 2 274.364 2.467 20 30 CEEDLO CC[C@H](CO)Nc1cc(NCc2ccc(C#N)cc2)[nH+]cn1 ZINC000891869489 624046563 /nfs/dbraw/zinc/04/65/63/624046563.db2.gz LQHLKWYRKXHYTB-CQSZACIVSA-N 1 2 297.362 2.143 20 30 CEEDLO CC[C@H](CO)Nc1cc(NCc2ccc(C#N)cc2)nc[nH+]1 ZINC000891869489 624046571 /nfs/dbraw/zinc/04/65/71/624046571.db2.gz LQHLKWYRKXHYTB-CQSZACIVSA-N 1 2 297.362 2.143 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1c[nH+]cn1C ZINC000291105712 624108529 /nfs/dbraw/zinc/10/85/29/624108529.db2.gz CAVFDSFKLMDPJE-CYBMUJFWSA-N 1 2 280.372 2.008 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3csc(C#N)c3)[C@H]2C1 ZINC000892239322 624444777 /nfs/dbraw/zinc/44/47/77/624444777.db2.gz JBQUHVOWUMAIFI-VHDGCEQUSA-N 1 2 292.404 2.388 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3csc(C#N)c3)[C@H]2C1 ZINC000892239322 624444778 /nfs/dbraw/zinc/44/47/78/624444778.db2.gz JBQUHVOWUMAIFI-VHDGCEQUSA-N 1 2 292.404 2.388 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000934509682 624547759 /nfs/dbraw/zinc/54/77/59/624547759.db2.gz PSRDOPPZGTZLBV-AWEZNQCLSA-N 1 2 256.349 2.137 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC000934509682 624547764 /nfs/dbraw/zinc/54/77/64/624547764.db2.gz PSRDOPPZGTZLBV-AWEZNQCLSA-N 1 2 256.349 2.137 20 30 CEEDLO N#CCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000309536299 625027002 /nfs/dbraw/zinc/02/70/02/625027002.db2.gz FHNNKVPUXXUTIZ-UHFFFAOYSA-N 1 2 279.141 2.100 20 30 CEEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001024821867 625836160 /nfs/dbraw/zinc/83/61/60/625836160.db2.gz UUPVHCIXDROOIN-NSHDSACASA-N 1 2 280.368 2.105 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001024821867 625836164 /nfs/dbraw/zinc/83/61/64/625836164.db2.gz UUPVHCIXDROOIN-NSHDSACASA-N 1 2 280.368 2.105 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000820640329 634484889 /nfs/dbraw/zinc/48/48/89/634484889.db2.gz NYHLQFPNRVCCPO-OLZOCXBDSA-N 1 2 274.368 2.101 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892838429 627805008 /nfs/dbraw/zinc/80/50/08/627805008.db2.gz OHTUHXGFKQURBV-HUUCEWRRSA-N 1 2 297.443 2.093 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001008319664 628280336 /nfs/dbraw/zinc/28/03/36/628280336.db2.gz YKMCYFHVUFGJRB-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001008319664 628280338 /nfs/dbraw/zinc/28/03/38/628280338.db2.gz YKMCYFHVUFGJRB-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000776385840 628454034 /nfs/dbraw/zinc/45/40/34/628454034.db2.gz HRZWXXBWQMBKAE-ZIAGYGMSSA-N 1 2 264.369 2.486 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000776385840 628454035 /nfs/dbraw/zinc/45/40/35/628454035.db2.gz HRZWXXBWQMBKAE-ZIAGYGMSSA-N 1 2 264.369 2.486 20 30 CEEDLO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)C#N ZINC000776581016 628495638 /nfs/dbraw/zinc/49/56/38/628495638.db2.gz BZDLHHVALYQWDD-RISCZKNCSA-N 1 2 277.324 2.110 20 30 CEEDLO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)C#N ZINC000776581016 628495640 /nfs/dbraw/zinc/49/56/40/628495640.db2.gz BZDLHHVALYQWDD-RISCZKNCSA-N 1 2 277.324 2.110 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000093287090 628629286 /nfs/dbraw/zinc/62/92/86/628629286.db2.gz ZWDLBMVUKDILNG-CYBMUJFWSA-N 1 2 290.363 2.361 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000093287090 628629288 /nfs/dbraw/zinc/62/92/88/628629288.db2.gz ZWDLBMVUKDILNG-CYBMUJFWSA-N 1 2 290.363 2.361 20 30 CEEDLO C#CCC[C@@H](O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893672917 628910194 /nfs/dbraw/zinc/91/01/94/628910194.db2.gz DGWLGBMFYVYRJD-CYBMUJFWSA-N 1 2 259.353 2.239 20 30 CEEDLO C#CCC[C@H](O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893672918 628910383 /nfs/dbraw/zinc/91/03/83/628910383.db2.gz DGWLGBMFYVYRJD-ZDUSSCGKSA-N 1 2 259.353 2.239 20 30 CEEDLO CCc1onc(C)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000893869305 629031869 /nfs/dbraw/zinc/03/18/69/629031869.db2.gz WRJWPVKHHBPMGT-UHFFFAOYSA-N 1 2 256.309 2.102 20 30 CEEDLO Cc1cc[nH+]c(N)c1CN(CCC#N)Cc1ccccn1 ZINC000894003925 629083468 /nfs/dbraw/zinc/08/34/68/629083468.db2.gz UUFNIVWHIHKRNE-UHFFFAOYSA-N 1 2 281.363 2.283 20 30 CEEDLO CC[C@@H](CO)Nc1cc(N[C@H]2CC[C@@H](CC#N)C2)[nH+]cn1 ZINC000894042823 629099838 /nfs/dbraw/zinc/09/98/38/629099838.db2.gz NYKPCVBIHVPGFX-AVGNSLFASA-N 1 2 289.383 2.154 20 30 CEEDLO CC[C@@H](CO)Nc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc[nH+]1 ZINC000894042823 629099843 /nfs/dbraw/zinc/09/98/43/629099843.db2.gz NYKPCVBIHVPGFX-AVGNSLFASA-N 1 2 289.383 2.154 20 30 CEEDLO C=C(CC)CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894116450 629139523 /nfs/dbraw/zinc/13/95/23/629139523.db2.gz IWOVUBRVCWVGQQ-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO C=C(CC)CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894116450 629139526 /nfs/dbraw/zinc/13/95/26/629139526.db2.gz IWOVUBRVCWVGQQ-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000925040571 629398015 /nfs/dbraw/zinc/39/80/15/629398015.db2.gz ODVKRSGCKWVDTF-GOEBONIOSA-N 1 2 274.364 2.466 20 30 CEEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)c(F)c1OC ZINC000894453094 629470625 /nfs/dbraw/zinc/47/06/25/629470625.db2.gz QMOZDOKTXQKQIG-VIFPVBQESA-N 1 2 252.289 2.092 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](C(F)F)CC1=O ZINC000795442781 629559284 /nfs/dbraw/zinc/55/92/84/629559284.db2.gz BERQDMWJLJEFCK-GFCCVEGCSA-N 1 2 298.333 2.381 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](C(F)F)CC1=O ZINC000795442781 629559300 /nfs/dbraw/zinc/55/93/00/629559300.db2.gz BERQDMWJLJEFCK-GFCCVEGCSA-N 1 2 298.333 2.381 20 30 CEEDLO CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc(C#N)c1O ZINC000925084778 629670548 /nfs/dbraw/zinc/67/05/48/629670548.db2.gz JNHBAEAEPDDFFU-HOCLYGCPSA-N 1 2 292.379 2.092 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCCC#N ZINC000796006606 629737897 /nfs/dbraw/zinc/73/78/97/629737897.db2.gz DPHJFNALLITWIM-UHFFFAOYSA-N 1 2 293.273 2.470 20 30 CEEDLO Cc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)on1 ZINC000049066029 629745605 /nfs/dbraw/zinc/74/56/05/629745605.db2.gz PHAUMQVIMVZIOR-UHFFFAOYSA-N 1 2 263.272 2.268 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OCC ZINC000895598657 630265177 /nfs/dbraw/zinc/26/51/77/630265177.db2.gz SMBOXFDGZRYQIT-GRYCIOLGSA-N 1 2 257.399 2.225 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C[C@](C)(CC)OC)C(=O)OCC ZINC000895593303 630269156 /nfs/dbraw/zinc/26/91/56/630269156.db2.gz ZSYLVNWRJNLJOX-OCCSQVGLSA-N 1 2 257.374 2.289 20 30 CEEDLO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000895715541 630312077 /nfs/dbraw/zinc/31/20/77/630312077.db2.gz UGFRLASGSNAMSV-LLVKDONJSA-N 1 2 255.745 2.462 20 30 CEEDLO Cc1cnc(Cl)c(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000895968603 630421992 /nfs/dbraw/zinc/42/19/92/630421992.db2.gz DWJWBIAPDIDIKZ-BETUJISGSA-N 1 2 292.814 2.462 20 30 CEEDLO Cc1cnc(Cl)c(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000895968603 630421995 /nfs/dbraw/zinc/42/19/95/630421995.db2.gz DWJWBIAPDIDIKZ-BETUJISGSA-N 1 2 292.814 2.462 20 30 CEEDLO C#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000896152261 630484420 /nfs/dbraw/zinc/48/44/20/630484420.db2.gz KLSWXMYQHSIOHU-INIZCTEOSA-N 1 2 279.343 2.342 20 30 CEEDLO Cn1cnc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC000896506937 630585813 /nfs/dbraw/zinc/58/58/13/630585813.db2.gz WTYPEXOHOGHWQH-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1cnc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC000896506937 630585815 /nfs/dbraw/zinc/58/58/15/630585815.db2.gz WTYPEXOHOGHWQH-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000896634193 630617371 /nfs/dbraw/zinc/61/73/71/630617371.db2.gz VYXMHYFYXGBVII-HNNXBMFYSA-N 1 2 297.443 2.095 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1nc(Cl)c(C#N)s1)C2 ZINC000896658867 630623620 /nfs/dbraw/zinc/62/36/20/630623620.db2.gz AVJXEPFSTRIJIK-UHFFFAOYSA-N 1 2 293.783 2.447 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1nc(C)cc(C)c1C#N)C2 ZINC000896660183 630623979 /nfs/dbraw/zinc/62/39/79/630623979.db2.gz UKPYZGYWCUOXFY-UHFFFAOYSA-N 1 2 281.363 2.349 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000896650746 630625056 /nfs/dbraw/zinc/62/50/56/630625056.db2.gz MHQBQPZROUUARQ-UHFFFAOYSA-N 1 2 297.318 2.246 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)no1 ZINC000896650308 630625212 /nfs/dbraw/zinc/62/52/12/630625212.db2.gz GGAUMQMTRGJVFZ-AWEZNQCLSA-N 1 2 297.362 2.326 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)no1 ZINC000896650308 630625215 /nfs/dbraw/zinc/62/52/15/630625215.db2.gz GGAUMQMTRGJVFZ-AWEZNQCLSA-N 1 2 297.362 2.326 20 30 CEEDLO C#CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000928627770 630687497 /nfs/dbraw/zinc/68/74/97/630687497.db2.gz LLLZFMFYCOUONN-UHFFFAOYSA-N 1 2 281.359 2.415 20 30 CEEDLO C=C1CC(c2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)C1 ZINC000896884678 630700017 /nfs/dbraw/zinc/70/00/17/630700017.db2.gz UUSJZOIFLUDCTQ-LLVKDONJSA-N 1 2 265.382 2.441 20 30 CEEDLO C=C1CC(c2noc(C[N@H+](C)[C@@H]3CCSC3)n2)C1 ZINC000896884678 630700018 /nfs/dbraw/zinc/70/00/18/630700018.db2.gz UUSJZOIFLUDCTQ-LLVKDONJSA-N 1 2 265.382 2.441 20 30 CEEDLO Cc1[nH]c(CNC(=O)[C@@]2(C#N)CC23CCCC3)[nH+]c1C ZINC000896909753 630790446 /nfs/dbraw/zinc/79/04/46/630790446.db2.gz HWQWODUFXMKJMS-HNNXBMFYSA-N 1 2 272.352 2.117 20 30 CEEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cn2cccnc2n1 ZINC000798232019 630842794 /nfs/dbraw/zinc/84/27/94/630842794.db2.gz YPJCSMBTKFOLHP-AATRIKPKSA-N 1 2 289.298 2.273 20 30 CEEDLO C#CC[N@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000799344774 631016336 /nfs/dbraw/zinc/01/63/36/631016336.db2.gz HKZCCIFDJNPNRG-HNNXBMFYSA-N 1 2 272.392 2.225 20 30 CEEDLO C#CC[N@@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000799344774 631016342 /nfs/dbraw/zinc/01/63/42/631016342.db2.gz HKZCCIFDJNPNRG-HNNXBMFYSA-N 1 2 272.392 2.225 20 30 CEEDLO Cc1ccc(F)c(N[NH2+]C2=CC(=O)N3CCC[C@@H]23)c1 ZINC000799483196 631031388 /nfs/dbraw/zinc/03/13/88/631031388.db2.gz FQZYBJFEAYJCJI-ZDUSSCGKSA-N 1 2 261.300 2.297 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2ccccc2[N+](=O)[O-])cn1C ZINC000800803240 631145678 /nfs/dbraw/zinc/14/56/78/631145678.db2.gz BLTKDWBVAJFXBE-UHFFFAOYSA-N 1 2 273.296 2.473 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2nccnc2C(C)C)cn1C ZINC000800816293 631147276 /nfs/dbraw/zinc/14/72/76/631147276.db2.gz IHKMODOQVDMCCI-UHFFFAOYSA-N 1 2 272.356 2.478 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000189762717 631325080 /nfs/dbraw/zinc/32/50/80/631325080.db2.gz USIGANIXWNXQHO-UHFFFAOYSA-N 1 2 260.337 2.116 20 30 CEEDLO C=C(C)C[N@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000189762717 631325085 /nfs/dbraw/zinc/32/50/85/631325085.db2.gz USIGANIXWNXQHO-UHFFFAOYSA-N 1 2 260.337 2.116 20 30 CEEDLO C[C@H](C#N)OCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000801912097 631351801 /nfs/dbraw/zinc/35/18/01/631351801.db2.gz HEQWQQZIMDRWHP-LLVKDONJSA-N 1 2 295.770 2.139 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000801912097 631351810 /nfs/dbraw/zinc/35/18/10/631351810.db2.gz HEQWQQZIMDRWHP-LLVKDONJSA-N 1 2 295.770 2.139 20 30 CEEDLO Cc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1C#N ZINC000802237548 631410689 /nfs/dbraw/zinc/41/06/89/631410689.db2.gz AYUIUNCJGQRJCW-CQSZACIVSA-N 1 2 276.311 2.067 20 30 CEEDLO Cc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1C#N ZINC000802237548 631410696 /nfs/dbraw/zinc/41/06/96/631410696.db2.gz AYUIUNCJGQRJCW-CQSZACIVSA-N 1 2 276.311 2.067 20 30 CEEDLO C=CCN1CCN(C[NH+]2CCC(C(F)(F)F)CC2)C1=O ZINC000840015060 631598233 /nfs/dbraw/zinc/59/82/33/631598233.db2.gz LFFDHEQELSMERP-UHFFFAOYSA-N 1 2 291.317 2.142 20 30 CEEDLO C#CCCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000806855195 631781593 /nfs/dbraw/zinc/78/15/93/631781593.db2.gz BWKXFGVZUPFMSR-UHFFFAOYSA-N 1 2 278.783 2.301 20 30 CEEDLO C#CCCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000806855195 631781597 /nfs/dbraw/zinc/78/15/97/631781597.db2.gz BWKXFGVZUPFMSR-UHFFFAOYSA-N 1 2 278.783 2.301 20 30 CEEDLO COc1cncc(CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000808251648 631940028 /nfs/dbraw/zinc/94/00/28/631940028.db2.gz CIDAAAWBEDRLPD-UHFFFAOYSA-N 1 2 289.310 2.375 20 30 CEEDLO N#CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000809573202 632102245 /nfs/dbraw/zinc/10/22/45/632102245.db2.gz ZHVPZHQYCLYPOT-CYBMUJFWSA-N 1 2 266.291 2.204 20 30 CEEDLO N#CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000809573202 632102251 /nfs/dbraw/zinc/10/22/51/632102251.db2.gz ZHVPZHQYCLYPOT-CYBMUJFWSA-N 1 2 266.291 2.204 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898192186 632106972 /nfs/dbraw/zinc/10/69/72/632106972.db2.gz CZNGHWYLBWDLAS-HUUCEWRRSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898192186 632106976 /nfs/dbraw/zinc/10/69/76/632106976.db2.gz CZNGHWYLBWDLAS-HUUCEWRRSA-N 1 2 265.328 2.156 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)cc1 ZINC000809698857 632130048 /nfs/dbraw/zinc/13/00/48/632130048.db2.gz HPMOOTVBMHHKLG-IYJAJMOOSA-N 1 2 275.417 2.399 20 30 CEEDLO C#Cc1ccc(C[N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)cc1 ZINC000809698857 632130054 /nfs/dbraw/zinc/13/00/54/632130054.db2.gz HPMOOTVBMHHKLG-IYJAJMOOSA-N 1 2 275.417 2.399 20 30 CEEDLO C#CCOc1ccc(C[NH2+]Cc2nnc(CC)s2)cc1 ZINC000810176550 632192165 /nfs/dbraw/zinc/19/21/65/632192165.db2.gz PJQJJIXFDGNKKV-UHFFFAOYSA-N 1 2 287.388 2.402 20 30 CEEDLO C(=NNC[C@@H]1CCSC1)c1cccc2[nH+]ccn21 ZINC000811657629 632418199 /nfs/dbraw/zinc/41/81/99/632418199.db2.gz CAQJWLFQESCTAZ-NSHDSACASA-N 1 2 260.366 2.011 20 30 CEEDLO COC1(C)C[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000813331170 632668969 /nfs/dbraw/zinc/66/89/69/632668969.db2.gz 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FC(F)(F)c1cccnc1C=NNCCCn1cc[nH+]c1 ZINC000848417876 641986083 /nfs/dbraw/zinc/98/60/83/641986083.db2.gz GNEIMMZRYJTOOG-UHFFFAOYSA-N 1 2 297.284 2.311 20 30 CEEDLO Clc1csc(C=NNCCCn2cc[nH+]c2)n1 ZINC000848419581 641988112 /nfs/dbraw/zinc/98/81/12/641988112.db2.gz ZIEQBNKNWWKAMJ-UHFFFAOYSA-N 1 2 269.761 2.007 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000848494035 642014490 /nfs/dbraw/zinc/01/44/90/642014490.db2.gz SWJLUUVXFNMKCK-GFCCVEGCSA-N 1 2 276.405 2.091 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000848494035 642014495 /nfs/dbraw/zinc/01/44/95/642014495.db2.gz SWJLUUVXFNMKCK-GFCCVEGCSA-N 1 2 276.405 2.091 20 30 CEEDLO Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC#N ZINC000848907037 642184032 /nfs/dbraw/zinc/18/40/32/642184032.db2.gz GVXNNYYFGNQJNF-UHFFFAOYSA-N 1 2 258.300 2.323 20 30 CEEDLO CCOc1cccc(/C=[NH+]\CC[C@@H](COC)OC)c1O ZINC000849170654 642278201 /nfs/dbraw/zinc/27/82/01/642278201.db2.gz RYQDLUIXBDPDCM-ATTDUZETSA-N 1 2 281.352 2.261 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(Cl)cc1F ZINC000877517793 650762270 /nfs/dbraw/zinc/76/22/70/650762270.db2.gz QKYUODLGPCSRDS-YGRLFVJLSA-N 1 2 292.745 2.423 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2CCCc3nc(C)ncc32)nn1 ZINC000850139789 642592376 /nfs/dbraw/zinc/59/23/76/642592376.db2.gz SGXDZTHAISCQHH-HNNXBMFYSA-N 1 2 298.394 2.120 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)nn1 ZINC000850376157 642688219 /nfs/dbraw/zinc/68/82/19/642688219.db2.gz WTZQCRYDAZFPOP-CVEARBPZSA-N 1 2 284.363 2.122 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccsc2)CC1 ZINC000851870177 643200483 /nfs/dbraw/zinc/20/04/83/643200483.db2.gz BZSDOZLHAWPXNJ-CQSZACIVSA-N 1 2 263.410 2.414 20 30 CEEDLO CC[C@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004345639 643241546 /nfs/dbraw/zinc/24/15/46/643241546.db2.gz IULXNRJPBWTGQP-DZGCQCFKSA-N 1 2 277.412 2.259 20 30 CEEDLO CC[C@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004345639 643241550 /nfs/dbraw/zinc/24/15/50/643241550.db2.gz IULXNRJPBWTGQP-DZGCQCFKSA-N 1 2 277.412 2.259 20 30 CEEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000852325372 643395230 /nfs/dbraw/zinc/39/52/30/643395230.db2.gz GTDKVMBLTPYOSC-GOEBONIOSA-N 1 2 271.364 2.118 20 30 CEEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000852325372 643395233 /nfs/dbraw/zinc/39/52/33/643395233.db2.gz GTDKVMBLTPYOSC-GOEBONIOSA-N 1 2 271.364 2.118 20 30 CEEDLO CCOCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328492 643395617 /nfs/dbraw/zinc/39/56/17/643395617.db2.gz GMWWMQLCONIMPX-INIZCTEOSA-N 1 2 273.380 2.365 20 30 CEEDLO CCOCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328492 643395624 /nfs/dbraw/zinc/39/56/24/643395624.db2.gz GMWWMQLCONIMPX-INIZCTEOSA-N 1 2 273.380 2.365 20 30 CEEDLO C=C(Cl)C[C@@H]([NH2+]CCC1CCOCC1)C(=O)OCC ZINC000877671839 650843895 /nfs/dbraw/zinc/84/38/95/650843895.db2.gz PZFUXZGUXSQCIL-CYBMUJFWSA-N 1 2 289.803 2.467 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1ccncc1Cl ZINC000852749421 643534819 /nfs/dbraw/zinc/53/48/19/643534819.db2.gz XQJOZAKKYXBVGD-UHFFFAOYSA-N 1 2 252.745 2.207 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1ccncc1Cl ZINC000852749421 643534822 /nfs/dbraw/zinc/53/48/22/643534822.db2.gz XQJOZAKKYXBVGD-UHFFFAOYSA-N 1 2 252.745 2.207 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000923263011 643630091 /nfs/dbraw/zinc/63/00/91/643630091.db2.gz FUHOCOWVXUXOAM-SEEARECTSA-N 1 2 287.363 2.226 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C(C)=O)c2)C1 ZINC000923560867 643763727 /nfs/dbraw/zinc/76/37/27/643763727.db2.gz LIJRYGYQEQXMTR-INIZCTEOSA-N 1 2 298.386 2.025 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C(C)=O)c2)C1 ZINC000923560867 643763736 /nfs/dbraw/zinc/76/37/36/643763736.db2.gz LIJRYGYQEQXMTR-INIZCTEOSA-N 1 2 298.386 2.025 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1ccccn1 ZINC000853476671 643783059 /nfs/dbraw/zinc/78/30/59/643783059.db2.gz HJKWMSQIACRHCN-OAHLLOKOSA-N 1 2 297.358 2.414 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)OCCO ZINC000853632374 643838829 /nfs/dbraw/zinc/83/88/29/643838829.db2.gz FFMUCOIKRAVRRR-UHFFFAOYSA-N 1 2 292.379 2.073 20 30 CEEDLO COc1ccc(C(N)=[NH+]OC[C@@H](OC)C2CCC2)cc1 ZINC000853655543 643849325 /nfs/dbraw/zinc/84/93/25/643849325.db2.gz XRBHFWKKDWIXSF-CQSZACIVSA-N 1 2 278.352 2.147 20 30 CEEDLO C=C1CCC(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000885651640 643962606 /nfs/dbraw/zinc/96/26/06/643962606.db2.gz CLCNAOJVOVLWRS-GASCZTMLSA-N 1 2 279.380 2.139 20 30 CEEDLO C=C1CCC(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000885651640 643962610 /nfs/dbraw/zinc/96/26/10/643962610.db2.gz CLCNAOJVOVLWRS-GASCZTMLSA-N 1 2 279.380 2.139 20 30 CEEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(CC)n2)c1 ZINC000838958379 644083763 /nfs/dbraw/zinc/08/37/63/644083763.db2.gz KHLPRNLFDFDKHV-OAHLLOKOSA-N 1 2 299.378 2.269 20 30 CEEDLO C=CCc1cc(C[NH+]2CC(O)(C(C)C)C2)cc(OC)c1O ZINC000839133358 644170045 /nfs/dbraw/zinc/17/00/45/644170045.db2.gz PTJSRRZZUITQSS-UHFFFAOYSA-N 1 2 291.391 2.332 20 30 CEEDLO C#CC[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)C(=O)OC ZINC000839168981 644178191 /nfs/dbraw/zinc/17/81/91/644178191.db2.gz OLBLQHVGDJYQLI-JKSUJKDBSA-N 1 2 271.360 2.089 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](COC)C2)c1=S ZINC000112961698 644244681 /nfs/dbraw/zinc/24/46/81/644244681.db2.gz HXTWRZCPPSQHPE-ZDUSSCGKSA-N 1 2 296.440 2.224 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](COC)C2)c1=S ZINC000112961698 644244683 /nfs/dbraw/zinc/24/46/83/644244683.db2.gz HXTWRZCPPSQHPE-ZDUSSCGKSA-N 1 2 296.440 2.224 20 30 CEEDLO Cc1ccc(N=NCc2c[nH+]c3c(C)cccn23)nn1 ZINC000755698317 644546450 /nfs/dbraw/zinc/54/64/50/644546450.db2.gz IEDDWBRCLRDEEO-UHFFFAOYSA-N 1 2 266.308 2.187 20 30 CEEDLO Cc1ccc2[nH+]cc(CN=Nc3ncccc3[N+](=O)[O-])n2c1 ZINC000755767670 644558394 /nfs/dbraw/zinc/55/83/94/644558394.db2.gz CSNAPTTZFATRSP-UHFFFAOYSA-N 1 2 296.290 2.392 20 30 CEEDLO CN(C)c1cc(COC(=O)c2ccc(C#N)cc2)cc[nH+]1 ZINC000755902264 644578620 /nfs/dbraw/zinc/57/86/20/644578620.db2.gz IULPJUAVHQRHAO-UHFFFAOYSA-N 1 2 281.315 2.376 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCCO[C@@H]2CCOC2)c(O)c1 ZINC000756772954 644691492 /nfs/dbraw/zinc/69/14/92/644691492.db2.gz YLJSKIVLCFMVNK-QAEAHILHSA-N 1 2 293.363 2.405 20 30 CEEDLO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](CCC#N)C2 ZINC000856815166 644733665 /nfs/dbraw/zinc/73/36/65/644733665.db2.gz FLIFSMJYDMHPBO-DOMZBBRYSA-N 1 2 279.384 2.279 20 30 CEEDLO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CCC#N)C2 ZINC000856815166 644733668 /nfs/dbraw/zinc/73/36/68/644733668.db2.gz FLIFSMJYDMHPBO-DOMZBBRYSA-N 1 2 279.384 2.279 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000758143502 644888365 /nfs/dbraw/zinc/88/83/65/644888365.db2.gz MUDUTGJWMOUGFD-LBPRGKRZSA-N 1 2 280.372 2.040 20 30 CEEDLO C[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)Cc2ccccc21 ZINC000758178701 644893382 /nfs/dbraw/zinc/89/33/82/644893382.db2.gz OPPXRVDYIGTDGX-ZDUSSCGKSA-N 1 2 279.343 2.297 20 30 CEEDLO C[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)Cc2ccccc21 ZINC000758178701 644893385 /nfs/dbraw/zinc/89/33/85/644893385.db2.gz OPPXRVDYIGTDGX-ZDUSSCGKSA-N 1 2 279.343 2.297 20 30 CEEDLO CCC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758193539 644896453 /nfs/dbraw/zinc/89/64/53/644896453.db2.gz UQGAKANIUYCNOR-UHFFFAOYSA-N 1 2 259.353 2.108 20 30 CEEDLO N#Cc1cccn(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1=O ZINC000758218806 644901765 /nfs/dbraw/zinc/90/17/65/644901765.db2.gz DKOXUACTFLNZJB-HNNXBMFYSA-N 1 2 297.333 2.306 20 30 CEEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1=O ZINC000758218806 644901793 /nfs/dbraw/zinc/90/17/93/644901793.db2.gz DKOXUACTFLNZJB-HNNXBMFYSA-N 1 2 297.333 2.306 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCC2(C)OCCO2)c(O)c1 ZINC000758814423 644959827 /nfs/dbraw/zinc/95/98/27/644959827.db2.gz FSWZUFGEMDHEEU-WJDWOHSUSA-N 1 2 279.336 2.363 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982005 645034293 /nfs/dbraw/zinc/03/42/93/645034293.db2.gz LJEZTNSXLOWZMA-JSGCOSHPSA-N 1 2 292.383 2.415 20 30 CEEDLO CCCCCCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000858113701 645066150 /nfs/dbraw/zinc/06/61/50/645066150.db2.gz VYCDEKRGTWWAER-CYBMUJFWSA-N 1 2 278.400 2.468 20 30 CEEDLO CCn1ncc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000858206129 645087026 /nfs/dbraw/zinc/08/70/26/645087026.db2.gz ISKHTEDOZOMOBH-UHFFFAOYSA-N 1 2 281.363 2.143 20 30 CEEDLO C[C@H](C[N@H+](C)C[C@@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097315 645699209 /nfs/dbraw/zinc/69/92/09/645699209.db2.gz PBCAIHXBKDXZNV-CHWSQXEVSA-N 1 2 294.399 2.275 20 30 CEEDLO C[C@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097315 645699212 /nfs/dbraw/zinc/69/92/12/645699212.db2.gz PBCAIHXBKDXZNV-CHWSQXEVSA-N 1 2 294.399 2.275 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000766666016 645909200 /nfs/dbraw/zinc/90/92/00/645909200.db2.gz OBGITSRRABTTQV-QAPCUYQASA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000766666016 645909204 /nfs/dbraw/zinc/90/92/04/645909204.db2.gz OBGITSRRABTTQV-QAPCUYQASA-N 1 2 284.403 2.379 20 30 CEEDLO C[C@@H]1CC(=O)N(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767985973 646067112 /nfs/dbraw/zinc/06/71/12/646067112.db2.gz AEKJBVSUMMOHNE-CQSZACIVSA-N 1 2 295.386 2.473 20 30 CEEDLO C[C@@H]1CC(=O)N(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767985973 646067115 /nfs/dbraw/zinc/06/71/15/646067115.db2.gz AEKJBVSUMMOHNE-CQSZACIVSA-N 1 2 295.386 2.473 20 30 CEEDLO O=C(NCC#Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC000770396704 646387199 /nfs/dbraw/zinc/38/71/99/646387199.db2.gz JEWXNOABHWQBPV-UHFFFAOYSA-N 1 2 275.311 2.116 20 30 CEEDLO N#CCN(C(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC000770428408 646391658 /nfs/dbraw/zinc/39/16/58/646391658.db2.gz YOPWKCVRTGCLBQ-UHFFFAOYSA-N 1 2 268.320 2.243 20 30 CEEDLO C#CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1CC)C(=O)OC ZINC000862392222 646434509 /nfs/dbraw/zinc/43/45/09/646434509.db2.gz KJEPEACDIBXMBP-IHRRRGAJSA-N 1 2 251.370 2.357 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000862530695 646485871 /nfs/dbraw/zinc/48/58/71/646485871.db2.gz QQBSMVKGELRRMV-INIZCTEOSA-N 1 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IFTDGASQGLXICW-ZDUSSCGKSA-N 1 2 296.374 2.161 20 30 CEEDLO Cc1ccccc1NC(=S)NN=C1C[NH+]2CCC1CC2 ZINC000864094888 646899709 /nfs/dbraw/zinc/89/97/09/646899709.db2.gz LCVXKZANKVCSPS-UHFFFAOYSA-N 1 2 288.420 2.363 20 30 CEEDLO N#C[C@]1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCCOC1 ZINC000865072440 647172048 /nfs/dbraw/zinc/17/20/48/647172048.db2.gz SOUDPFLQNKAZDZ-MRXNPFEDSA-N 1 2 296.330 2.336 20 30 CEEDLO CC[N@H+](C)[C@H](C(=O)OC[C@H](C)C#N)c1ccccc1 ZINC000780446327 647429315 /nfs/dbraw/zinc/42/93/15/647429315.db2.gz DKRBOZQMEPKHHI-OCCSQVGLSA-N 1 2 260.337 2.382 20 30 CEEDLO CC[N@@H+](C)[C@H](C(=O)OC[C@H](C)C#N)c1ccccc1 ZINC000780446327 647429320 /nfs/dbraw/zinc/42/93/20/647429320.db2.gz DKRBOZQMEPKHHI-OCCSQVGLSA-N 1 2 260.337 2.382 20 30 CEEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](CC(=O)NCCC#N)CC2 ZINC000781346454 647520002 /nfs/dbraw/zinc/52/00/02/647520002.db2.gz JNEYJRDABVMJOB-UHFFFAOYSA-N 1 2 299.418 2.372 20 30 CEEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](CC(=O)NCCC#N)CC2 ZINC000781346454 647520009 /nfs/dbraw/zinc/52/00/09/647520009.db2.gz JNEYJRDABVMJOB-UHFFFAOYSA-N 1 2 299.418 2.372 20 30 CEEDLO CC(C)(C)OC(=O)NC1(C)CC[NH+](CCC#N)CC1 ZINC000781975121 647576958 /nfs/dbraw/zinc/57/69/58/647576958.db2.gz VSTRNBRNEOTCKX-UHFFFAOYSA-N 1 2 267.373 2.279 20 30 CEEDLO C[C@H]([NH2+]CC1=CCCOC1)c1cccc(C#N)c1O ZINC000866355823 647753624 /nfs/dbraw/zinc/75/36/24/647753624.db2.gz FBNUJSNKHGYCIK-NSHDSACASA-N 1 2 258.321 2.261 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1nccn1C ZINC000866391737 647770523 /nfs/dbraw/zinc/77/05/23/647770523.db2.gz OQJKOJZCDJGPKK-GHMZBOCLSA-N 1 2 270.336 2.409 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)OCCCn1cc[nH+]c1 ZINC000784314498 647836335 /nfs/dbraw/zinc/83/63/35/647836335.db2.gz XFHABIDKUNMYDP-UHFFFAOYSA-N 1 2 269.304 2.310 20 30 CEEDLO N#CC1(N(C(=O)c2cccc3[nH+]ccn32)C2CC2)CCC1 ZINC000791004168 648471364 /nfs/dbraw/zinc/47/13/64/648471364.db2.gz YTNKCXLSGYWJKQ-UHFFFAOYSA-N 1 2 280.331 2.385 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000791017546 648472357 /nfs/dbraw/zinc/47/23/57/648472357.db2.gz QAJJNPKYGHRXPF-HNNXBMFYSA-N 1 2 296.374 2.473 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000791026361 648473679 /nfs/dbraw/zinc/47/36/79/648473679.db2.gz ONWPWKDSEZRFFR-CQSZACIVSA-N 1 2 298.390 2.286 20 30 CEEDLO CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793468360 648763392 /nfs/dbraw/zinc/76/33/92/648763392.db2.gz IPGOXBPCVOPUGG-UHFFFAOYSA-N 1 2 285.391 2.288 20 30 CEEDLO C[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793470113 648763492 /nfs/dbraw/zinc/76/34/92/648763492.db2.gz VYXFRAVCYLKCMQ-CYBMUJFWSA-N 1 2 285.391 2.288 20 30 CEEDLO C[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793470113 648763493 /nfs/dbraw/zinc/76/34/93/648763493.db2.gz VYXFRAVCYLKCMQ-CYBMUJFWSA-N 1 2 285.391 2.288 20 30 CEEDLO NC(=[NH+]OC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000794521319 648875969 /nfs/dbraw/zinc/87/59/69/648875969.db2.gz AEJFMWNNOSBJLS-LLVKDONJSA-N 1 2 299.168 2.265 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000794640091 648895956 /nfs/dbraw/zinc/89/59/56/648895956.db2.gz OQZAUEVWPSMAEU-GFCCVEGCSA-N 1 2 291.424 2.263 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000794640091 648895961 /nfs/dbraw/zinc/89/59/61/648895961.db2.gz OQZAUEVWPSMAEU-GFCCVEGCSA-N 1 2 291.424 2.263 20 30 CEEDLO COc1cc(C(N)=[NH+]OCC2CC2)ccc1OC(F)F ZINC000123871600 649209927 /nfs/dbraw/zinc/20/99/27/649209927.db2.gz HWJCIPGRTSTTGV-UHFFFAOYSA-N 1 2 286.278 2.344 20 30 CEEDLO Fc1cc(C=NNCCCn2cc[nH+]c2)cnc1Cl ZINC000872387140 649377075 /nfs/dbraw/zinc/37/70/75/649377075.db2.gz FDRJWXRVMYYQDA-UHFFFAOYSA-N 1 2 281.722 2.084 20 30 CEEDLO CSc1nnc(SC)n1[NH+]=C1C[C@@H](C)N(C2CC2)C1 ZINC000872417653 649385201 /nfs/dbraw/zinc/38/52/01/649385201.db2.gz ITLAOMOUPHUMGU-MRVPVSSYSA-N 1 2 297.453 2.183 20 30 CEEDLO C=C(Br)CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874213974 649754482 /nfs/dbraw/zinc/75/44/82/649754482.db2.gz MBHGGPQIFHWQHN-NSHDSACASA-N 1 2 287.201 2.028 20 30 CEEDLO C=C(Br)CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000874213974 649754484 /nfs/dbraw/zinc/75/44/84/649754484.db2.gz MBHGGPQIFHWQHN-NSHDSACASA-N 1 2 287.201 2.028 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1scnc1Cl)[C@@H]1CCCO1 ZINC000878452340 651099990 /nfs/dbraw/zinc/09/99/90/651099990.db2.gz BODOEFAVCYZLKG-BDAKNGLRSA-N 1 2 256.758 2.067 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878513875 651117647 /nfs/dbraw/zinc/11/76/47/651117647.db2.gz JYGFJCGBMKWJQE-UHFFFAOYSA-N 1 2 274.393 2.387 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878513875 651117648 /nfs/dbraw/zinc/11/76/48/651117648.db2.gz JYGFJCGBMKWJQE-UHFFFAOYSA-N 1 2 274.393 2.387 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ncccc1C ZINC000878524531 651120886 /nfs/dbraw/zinc/12/08/86/651120886.db2.gz QEFCHZJLEWKFPF-ZDUSSCGKSA-N 1 2 259.353 2.369 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ncccc1C ZINC000878524531 651120888 /nfs/dbraw/zinc/12/08/88/651120888.db2.gz QEFCHZJLEWKFPF-ZDUSSCGKSA-N 1 2 259.353 2.369 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1CCCCCCC1 ZINC000878816100 651191674 /nfs/dbraw/zinc/19/16/74/651191674.db2.gz CPPQHYPDNYJUGQ-LBPRGKRZSA-N 1 2 251.374 2.107 20 30 CEEDLO C[C@@H](CC#N)[NH2+]Cc1ccnc(Br)c1 ZINC000878819861 651192109 /nfs/dbraw/zinc/19/21/09/651192109.db2.gz BYFCHEFKWHMKPL-QMMMGPOBSA-N 1 2 254.131 2.236 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000878949342 651216679 /nfs/dbraw/zinc/21/66/79/651216679.db2.gz CURXSFOZRYWMCU-OAHLLOKOSA-N 1 2 275.348 2.171 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2cc(OC)ccc2C1 ZINC000878949342 651216683 /nfs/dbraw/zinc/21/66/83/651216683.db2.gz CURXSFOZRYWMCU-OAHLLOKOSA-N 1 2 275.348 2.171 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880234701 651405502 /nfs/dbraw/zinc/40/55/02/651405502.db2.gz UIDNEAAJOBNBCD-JTQLQIEISA-N 1 2 281.356 2.240 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234701 651405503 /nfs/dbraw/zinc/40/55/03/651405503.db2.gz UIDNEAAJOBNBCD-JTQLQIEISA-N 1 2 281.356 2.240 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ncncc2C1 ZINC000880597659 651468246 /nfs/dbraw/zinc/46/82/46/651468246.db2.gz ARNMDGOGHLLFNQ-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ncncc2C1 ZINC000880597659 651468248 /nfs/dbraw/zinc/46/82/48/651468248.db2.gz ARNMDGOGHLLFNQ-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO CC[C@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871369 652242204 /nfs/dbraw/zinc/24/22/04/652242204.db2.gz FWNAFTBMNPPXEQ-HIFRSBDPSA-N 1 2 282.347 2.290 20 30 CEEDLO N#CC1(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882872165 652242511 /nfs/dbraw/zinc/24/25/11/652242511.db2.gz YCUHWVPXLDOECG-HNNXBMFYSA-N 1 2 294.358 2.434 20 30 CEEDLO C#CC1(NC(=O)NCCCNc2cccc[nH+]2)CCCC1 ZINC000883135087 652374948 /nfs/dbraw/zinc/37/49/48/652374948.db2.gz UDKCGKQXUPEQST-UHFFFAOYSA-N 1 2 286.379 2.129 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@H]1CCCO1 ZINC000883233173 652408827 /nfs/dbraw/zinc/40/88/27/652408827.db2.gz BIMKAJATFGDANQ-QWHCGFSZSA-N 1 2 293.415 2.032 20 30 CEEDLO C=CC[NH+]1CCN(c2nc(Cl)ccc2F)CC1 ZINC001165033665 721864894 /nfs/dbraw/zinc/86/48/94/721864894.db2.gz URUYUAFNCWXVMF-UHFFFAOYSA-N 1 2 255.724 2.182 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC001088498962 806316023 /nfs/dbraw/zinc/31/60/23/806316023.db2.gz BYZQPCTXRLWSIK-MNOVXSKESA-N 1 2 297.786 2.182 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC001088498962 806316033 /nfs/dbraw/zinc/31/60/33/806316033.db2.gz BYZQPCTXRLWSIK-MNOVXSKESA-N 1 2 297.786 2.182 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001038479916 806589890 /nfs/dbraw/zinc/58/98/90/806589890.db2.gz DYTBJWXGIBHLRY-CQSZACIVSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001038479916 806589902 /nfs/dbraw/zinc/58/99/02/806589902.db2.gz DYTBJWXGIBHLRY-CQSZACIVSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CCCCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105542771 806597653 /nfs/dbraw/zinc/59/76/53/806597653.db2.gz SVMCGLOOBJMGGL-UHFFFAOYSA-N 1 2 276.384 2.036 20 30 CEEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1COCCC12OCCO2 ZINC001168349110 806669176 /nfs/dbraw/zinc/66/91/76/806669176.db2.gz ZRQUROZRIHCQRF-CQSZACIVSA-N 1 2 290.363 2.062 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001042736231 806668354 /nfs/dbraw/zinc/66/83/54/806668354.db2.gz XOKNOIVZECMGJQ-HNNXBMFYSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[C@H](OC)C2)C1 ZINC001042874087 806926062 /nfs/dbraw/zinc/92/60/62/806926062.db2.gz HUXBHXTVFQFSPM-ZBFHGGJFSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCOC(C)C)C1 ZINC001266364302 802492183 /nfs/dbraw/zinc/49/21/83/802492183.db2.gz UNTNNVZOUFEMAA-ZDUSSCGKSA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCOC(C)C)C1 ZINC001266364302 802492187 /nfs/dbraw/zinc/49/21/87/802492187.db2.gz UNTNNVZOUFEMAA-ZDUSSCGKSA-N 1 2 288.819 2.135 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001266480680 802624456 /nfs/dbraw/zinc/62/44/56/802624456.db2.gz WDDJLQIYNBKNDT-GOEBONIOSA-N 1 2 291.395 2.358 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001266480680 802624461 /nfs/dbraw/zinc/62/44/61/802624461.db2.gz WDDJLQIYNBKNDT-GOEBONIOSA-N 1 2 291.395 2.358 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001207026199 802699416 /nfs/dbraw/zinc/69/94/16/802699416.db2.gz DIJQXINVHGEGKP-CQSZACIVSA-N 1 2 293.342 2.097 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001207026199 802699419 /nfs/dbraw/zinc/69/94/19/802699419.db2.gz DIJQXINVHGEGKP-CQSZACIVSA-N 1 2 293.342 2.097 20 30 CEEDLO C=CCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001266925826 803000714 /nfs/dbraw/zinc/00/07/14/803000714.db2.gz TURZDSWFGWKXPM-QWRGUYRKSA-N 1 2 292.383 2.069 20 30 CEEDLO CN(c1[nH+]ccc2ccc(C#N)cc21)[C@H]1CCOC1 ZINC001158570154 812820154 /nfs/dbraw/zinc/82/01/54/812820154.db2.gz OTBFYPMZSWEFMQ-ZDUSSCGKSA-N 1 2 253.305 2.332 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132302136 812821786 /nfs/dbraw/zinc/82/17/86/812821786.db2.gz LXNLCUNUBREBQD-UHFFFAOYSA-N 1 2 291.395 2.360 20 30 CEEDLO N#CCc1ccc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167616716 803203238 /nfs/dbraw/zinc/20/32/38/803203238.db2.gz NMTLNYFMABONJT-UHFFFAOYSA-N 1 2 283.291 2.250 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC001267215863 803240322 /nfs/dbraw/zinc/24/03/22/803240322.db2.gz PVLGCICGBRYDAM-OAHLLOKOSA-N 1 2 279.384 2.133 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC001267215863 803240327 /nfs/dbraw/zinc/24/03/27/803240327.db2.gz PVLGCICGBRYDAM-OAHLLOKOSA-N 1 2 279.384 2.133 20 30 CEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C#CC(C)(C)C ZINC001267240895 803276884 /nfs/dbraw/zinc/27/68/84/803276884.db2.gz CETDPJZICXYMOV-UHFFFAOYSA-N 1 2 270.804 2.227 20 30 CEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C#CC(C)(C)C ZINC001267240895 803276890 /nfs/dbraw/zinc/27/68/90/803276890.db2.gz CETDPJZICXYMOV-UHFFFAOYSA-N 1 2 270.804 2.227 20 30 CEEDLO C=C(C)C(=O)NCCCNc1ccc(-n2cccc2)c[nH+]1 ZINC001167666345 803282601 /nfs/dbraw/zinc/28/26/01/803282601.db2.gz HPPXLABNOADJAB-UHFFFAOYSA-N 1 2 284.363 2.367 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC(C)C)CC2)C1 ZINC001093500332 814943248 /nfs/dbraw/zinc/94/32/48/814943248.db2.gz ROIQYYNOTPZELZ-UHFFFAOYSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C/C(C)=C/CC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267729519 803680072 /nfs/dbraw/zinc/68/00/72/803680072.db2.gz ZJXKOVVWWWHOSN-KKNAONHISA-N 1 2 268.788 2.452 20 30 CEEDLO C=C/C(C)=C/CC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267729519 803680075 /nfs/dbraw/zinc/68/00/75/803680075.db2.gz ZJXKOVVWWWHOSN-KKNAONHISA-N 1 2 268.788 2.452 20 30 CEEDLO C=CC(C)(C)C(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104766733 803685872 /nfs/dbraw/zinc/68/58/72/803685872.db2.gz QMAXHOWHMKEVJG-NSHDSACASA-N 1 2 276.384 2.256 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@@H](CC)[NH2+][C@@H](C)c1nc(C)no1 ZINC001267813591 803750942 /nfs/dbraw/zinc/75/09/42/803750942.db2.gz AELWPSHGDVVDLW-CMPLNLGQSA-N 1 2 294.399 2.136 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001268024284 804013758 /nfs/dbraw/zinc/01/37/58/804013758.db2.gz BORKTKKYKIKVFF-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001268024284 804013766 /nfs/dbraw/zinc/01/37/66/804013766.db2.gz BORKTKKYKIKVFF-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC001027721649 804218434 /nfs/dbraw/zinc/21/84/34/804218434.db2.gz NVKOSVMCDNISKF-CYBMUJFWSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC001027721649 804218440 /nfs/dbraw/zinc/21/84/40/804218440.db2.gz NVKOSVMCDNISKF-CYBMUJFWSA-N 1 2 279.771 2.028 20 30 CEEDLO CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139690242 804471484 /nfs/dbraw/zinc/47/14/84/804471484.db2.gz TVDZCEJATWEAPC-UHFFFAOYSA-N 1 2 291.782 2.170 20 30 CEEDLO C#CCCCC(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001268278635 804592280 /nfs/dbraw/zinc/59/22/80/804592280.db2.gz AARDTLBKXRFBGF-UHFFFAOYSA-N 1 2 296.414 2.279 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CO[C@H]2CCCC[C@H]2CC)C1 ZINC001268300020 804602984 /nfs/dbraw/zinc/60/29/84/804602984.db2.gz LYVVIRWNIKFVIP-ZBFHGGJFSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)CCn2ccc3ccccc32)C1 ZINC001268482246 804729559 /nfs/dbraw/zinc/72/95/59/804729559.db2.gz QKHNQLOKIDSMFK-UHFFFAOYSA-N 1 2 283.375 2.018 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001269056316 805036307 /nfs/dbraw/zinc/03/63/07/805036307.db2.gz DRJJTRZXOTXRIW-HNNXBMFYSA-N 1 2 291.370 2.268 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001269056316 805036314 /nfs/dbraw/zinc/03/63/14/805036314.db2.gz DRJJTRZXOTXRIW-HNNXBMFYSA-N 1 2 291.370 2.268 20 30 CEEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001269220701 805088565 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30 CEEDLO N#Cc1cccc(Cl)c1CN1CCn2c[nH+]cc2C1 ZINC001143731537 813868291 /nfs/dbraw/zinc/86/82/91/813868291.db2.gz WZCOYQXJLBOFFG-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO C#CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001143916123 813899833 /nfs/dbraw/zinc/89/98/33/813899833.db2.gz UNZZWUBCFUZJDQ-LBPRGKRZSA-N 1 2 285.174 2.346 20 30 CEEDLO N#CC1CC[NH+](Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144191694 813982110 /nfs/dbraw/zinc/98/21/10/813982110.db2.gz WORPBEQVEPVQTC-UHFFFAOYSA-N 1 2 258.300 2.438 20 30 CEEDLO C=C(C(=O)NCCSCc1[nH]c[nH+]c1C)C(F)(F)F ZINC001144213393 813991972 /nfs/dbraw/zinc/99/19/72/813991972.db2.gz NHSOBDCXDGVBNK-UHFFFAOYSA-N 1 2 293.314 2.186 20 30 CEEDLO C=CC[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171189985 814083912 /nfs/dbraw/zinc/08/39/12/814083912.db2.gz OFUUGINGZDHPNI-DOMZBBRYSA-N 1 2 272.348 2.197 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCCC(C)=O)C2)C1 ZINC001146992201 814357957 /nfs/dbraw/zinc/35/79/57/814357957.db2.gz AXKQLOPOJDQWAP-UHFFFAOYSA-N 1 2 298.814 2.033 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCCC(C)=O)C2)C1 ZINC001146992201 814357963 /nfs/dbraw/zinc/35/79/63/814357963.db2.gz AXKQLOPOJDQWAP-UHFFFAOYSA-N 1 2 298.814 2.033 20 30 CEEDLO C#CCCCCC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001103924900 814551413 /nfs/dbraw/zinc/55/14/13/814551413.db2.gz YDAZNLYNRIMCQZ-CYBMUJFWSA-N 1 2 288.395 2.143 20 30 CEEDLO C#CCN(CC1CC1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001116370596 814849151 /nfs/dbraw/zinc/84/91/51/814849151.db2.gz FRMWCUCHYNDWOC-UHFFFAOYSA-N 1 2 281.359 2.057 20 30 CEEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC001138706024 815873319 /nfs/dbraw/zinc/87/33/19/815873319.db2.gz KOLWVTJLOSWXSV-NSHDSACASA-N 1 2 262.382 2.324 20 30 CEEDLO CSc1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC001138706024 815873327 /nfs/dbraw/zinc/87/33/27/815873327.db2.gz KOLWVTJLOSWXSV-NSHDSACASA-N 1 2 262.382 2.324 20 30 CEEDLO C=CC[NH+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001139555750 816048596 /nfs/dbraw/zinc/04/85/96/816048596.db2.gz XQONOMQARPMSBU-UHFFFAOYSA-N 1 2 282.391 2.380 20 30 CEEDLO C=CC[N@H+](Cc1ccc(S(C)(=O)=O)nc1)C(C)(C)C ZINC001139641079 816072491 /nfs/dbraw/zinc/07/24/91/816072491.db2.gz UEPDSHHKKJTIHX-UHFFFAOYSA-N 1 2 282.409 2.272 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(S(C)(=O)=O)nc1)C(C)(C)C ZINC001139641079 816072499 /nfs/dbraw/zinc/07/24/99/816072499.db2.gz UEPDSHHKKJTIHX-UHFFFAOYSA-N 1 2 282.409 2.272 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCc3cnn(C)c3C2)cc1C#N ZINC001139725851 816097020 /nfs/dbraw/zinc/09/70/20/816097020.db2.gz GOFZQMXZWIGMGQ-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO Cc1ccc(C[N@H+]2CCc3cnn(C)c3C2)cc1C#N ZINC001139725851 816097028 /nfs/dbraw/zinc/09/70/28/816097028.db2.gz GOFZQMXZWIGMGQ-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO CC[N@H+](CCC#N)CCN(C)C(=O)OC(C)(C)C ZINC001202995456 816172055 /nfs/dbraw/zinc/17/20/55/816172055.db2.gz NAZBIEZDQBBDSH-UHFFFAOYSA-N 1 2 255.362 2.089 20 30 CEEDLO CC[N@@H+](CCC#N)CCN(C)C(=O)OC(C)(C)C ZINC001202995456 816172059 /nfs/dbraw/zinc/17/20/59/816172059.db2.gz NAZBIEZDQBBDSH-UHFFFAOYSA-N 1 2 255.362 2.089 20 30 CEEDLO Cc1nc(C#N)ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175341550 816167268 /nfs/dbraw/zinc/16/72/68/816167268.db2.gz UOXMVLGHNPRTSP-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO C=CCn1cnc2c1ncnc2Nc1ccc(N(C)C)[nH+]c1 ZINC001175342924 816167285 /nfs/dbraw/zinc/16/72/85/816167285.db2.gz YXDHGODNDIVIKN-UHFFFAOYSA-N 1 2 295.350 2.217 20 30 CEEDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](C#N)CC2)nn1 ZINC001249483274 816268580 /nfs/dbraw/zinc/26/85/80/816268580.db2.gz GMDNGAYUAMCPAC-LBPRGKRZSA-N 1 2 261.373 2.159 20 30 CEEDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](C#N)CC2)nn1 ZINC001249483274 816268587 /nfs/dbraw/zinc/26/85/87/816268587.db2.gz GMDNGAYUAMCPAC-LBPRGKRZSA-N 1 2 261.373 2.159 20 30 CEEDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)nn1 ZINC001249483273 816268795 /nfs/dbraw/zinc/26/87/95/816268795.db2.gz GMDNGAYUAMCPAC-GFCCVEGCSA-N 1 2 261.373 2.159 20 30 CEEDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](C#N)CC2)nn1 ZINC001249483273 816268799 /nfs/dbraw/zinc/26/87/99/816268799.db2.gz GMDNGAYUAMCPAC-GFCCVEGCSA-N 1 2 261.373 2.159 20 30 CEEDLO C#Cc1cc(Nc2cnn(-c3ccccc3)c2)cc[nH+]1 ZINC001175791758 816284148 /nfs/dbraw/zinc/28/41/48/816284148.db2.gz YYVXSZIQPHLPJH-UHFFFAOYSA-N 1 2 260.300 2.414 20 30 CEEDLO Cn1cc(C[N@H+](C)Cc2cc(F)c(C#N)c(F)c2)cn1 ZINC001140751062 816343323 /nfs/dbraw/zinc/34/33/23/816343323.db2.gz IBJFMFKWDKFFRP-UHFFFAOYSA-N 1 2 276.290 2.202 20 30 CEEDLO Cn1cc(C[N@@H+](C)Cc2cc(F)c(C#N)c(F)c2)cn1 ZINC001140751062 816343333 /nfs/dbraw/zinc/34/33/33/816343333.db2.gz IBJFMFKWDKFFRP-UHFFFAOYSA-N 1 2 276.290 2.202 20 30 CEEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccn1 ZINC001176750757 816465825 /nfs/dbraw/zinc/46/58/25/816465825.db2.gz VVPHVZOALOOMIS-UHFFFAOYSA-N 1 2 265.320 2.114 20 30 CEEDLO C=CCOCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839586554 816574909 /nfs/dbraw/zinc/57/49/09/816574909.db2.gz VUNJFTYLPDNAQG-UHFFFAOYSA-N 1 2 257.765 2.016 20 30 CEEDLO C=CCOCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839586554 816574914 /nfs/dbraw/zinc/57/49/14/816574914.db2.gz VUNJFTYLPDNAQG-UHFFFAOYSA-N 1 2 257.765 2.016 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cccc4[nH]cnc43)CC[C@@H]2S1 ZINC001142676816 816706795 /nfs/dbraw/zinc/70/67/95/816706795.db2.gz RIYWTFRKUNNPOP-ZDUSSCGKSA-N 1 2 285.372 2.337 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cccc4[nH]cnc43)CC[C@@H]2S1 ZINC001142676816 816706799 /nfs/dbraw/zinc/70/67/99/816706799.db2.gz RIYWTFRKUNNPOP-ZDUSSCGKSA-N 1 2 285.372 2.337 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cccc4nc[nH]c43)CC[C@@H]2S1 ZINC001142676816 816706801 /nfs/dbraw/zinc/70/68/01/816706801.db2.gz RIYWTFRKUNNPOP-ZDUSSCGKSA-N 1 2 285.372 2.337 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cccc4nc[nH]c43)CC[C@@H]2S1 ZINC001142676816 816706805 /nfs/dbraw/zinc/70/68/05/816706805.db2.gz RIYWTFRKUNNPOP-ZDUSSCGKSA-N 1 2 285.372 2.337 20 30 CEEDLO N#CCCc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001178225754 816708644 /nfs/dbraw/zinc/70/86/44/816708644.db2.gz NWFGNKJMOOKLNV-UHFFFAOYSA-N 1 2 254.293 2.047 20 30 CEEDLO CC(C)N1CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1=O ZINC001142922386 816757669 /nfs/dbraw/zinc/75/76/69/816757669.db2.gz GFPVXBGANRDKLW-UHFFFAOYSA-N 1 2 296.374 2.092 20 30 CEEDLO CC(C)N1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1=O ZINC001142922386 816757675 /nfs/dbraw/zinc/75/76/75/816757675.db2.gz GFPVXBGANRDKLW-UHFFFAOYSA-N 1 2 296.374 2.092 20 30 CEEDLO CO[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164477 816795996 /nfs/dbraw/zinc/79/59/96/816795996.db2.gz JANDMFUSKJZPKX-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO CO[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164477 816796001 /nfs/dbraw/zinc/79/60/01/816796001.db2.gz JANDMFUSKJZPKX-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173022 816798312 /nfs/dbraw/zinc/79/83/12/816798312.db2.gz LFZOYNADUOBXKM-GXSJLCMTSA-N 1 2 266.291 2.182 20 30 CEEDLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173022 816798317 /nfs/dbraw/zinc/79/83/17/816798317.db2.gz LFZOYNADUOBXKM-GXSJLCMTSA-N 1 2 266.291 2.182 20 30 CEEDLO Cn1cc([C@@H]2CSCC[N@@H+]2CC2(C#N)CCC2)cn1 ZINC000336256071 365537283 /nfs/dbraw/zinc/53/72/83/365537283.db2.gz NWXOJRKFQSZMTP-ZDUSSCGKSA-N 1 2 276.409 2.204 20 30 CEEDLO Cn1cc([C@@H]2CSCC[N@H+]2CC2(C#N)CCC2)cn1 ZINC000336256071 365537292 /nfs/dbraw/zinc/53/72/92/365537292.db2.gz NWXOJRKFQSZMTP-ZDUSSCGKSA-N 1 2 276.409 2.204 20 30 CEEDLO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000121593908 365592203 /nfs/dbraw/zinc/59/22/03/365592203.db2.gz JFMIXZLXMUSHHA-LLVKDONJSA-N 1 2 260.337 2.334 20 30 CEEDLO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000121593908 365592204 /nfs/dbraw/zinc/59/22/04/365592204.db2.gz JFMIXZLXMUSHHA-LLVKDONJSA-N 1 2 260.337 2.334 20 30 CEEDLO C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccc(C#N)cc1 ZINC000601564018 346851128 /nfs/dbraw/zinc/85/11/28/346851128.db2.gz ZEXZXFMREHFGBD-NSHDSACASA-N 1 2 283.335 2.184 20 30 CEEDLO Cc1cc(C)c(CNC(=O)C2(C#N)CC3(CC3)C2)c[nH+]1 ZINC000601627382 346864863 /nfs/dbraw/zinc/86/48/63/346864863.db2.gz RJTPCJWTXJWOAP-UHFFFAOYSA-N 1 2 269.348 2.399 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H]1CCOC1 ZINC000329741646 539248431 /nfs/dbraw/zinc/24/84/31/539248431.db2.gz WCABMNIWZIQPPU-GFCCVEGCSA-N 1 2 265.357 2.422 20 30 CEEDLO N#CCCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000041105700 362018900 /nfs/dbraw/zinc/01/89/00/362018900.db2.gz HGNLIVVTJIAVDW-UHFFFAOYSA-N 1 2 263.772 2.371 20 30 CEEDLO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)N(C)CCC#N ZINC000601939700 346933736 /nfs/dbraw/zinc/93/37/36/346933736.db2.gz KYPHRNBGIBFXSG-FZMZJTMJSA-N 1 2 295.333 2.186 20 30 CEEDLO N#CC1(C[C@@H](O)Cn2c[nH+]c3cc(F)c(F)cc32)CC1 ZINC000601955849 346942054 /nfs/dbraw/zinc/94/20/54/346942054.db2.gz PLRXLDGZUPOUHU-SECBINFHSA-N 1 2 277.274 2.369 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000046171329 343494038 /nfs/dbraw/zinc/49/40/38/343494038.db2.gz PTYMQFNXLORWRP-UHFFFAOYSA-N 1 2 258.774 2.136 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000046171329 343494040 /nfs/dbraw/zinc/49/40/40/343494040.db2.gz PTYMQFNXLORWRP-UHFFFAOYSA-N 1 2 258.774 2.136 20 30 CEEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000133182345 136390578 /nfs/dbraw/zinc/39/05/78/136390578.db2.gz OWQRPPNRAVYRRE-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccccn2)c(C#N)c1C ZINC000295068834 199328903 /nfs/dbraw/zinc/32/89/03/199328903.db2.gz CJQARMMOAQQHKC-UHFFFAOYSA-N 1 2 298.346 2.234 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccccn2)c(C#N)c1C ZINC000295068834 199328905 /nfs/dbraw/zinc/32/89/05/199328905.db2.gz CJQARMMOAQQHKC-UHFFFAOYSA-N 1 2 298.346 2.234 20 30 CEEDLO C=CC[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1cccs1 ZINC000067443965 343736403 /nfs/dbraw/zinc/73/64/03/343736403.db2.gz MLSVJWWYLYCZOE-CYBMUJFWSA-N 1 2 294.420 2.031 20 30 CEEDLO C=CC[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1cccs1 ZINC000067443965 343736405 /nfs/dbraw/zinc/73/64/05/343736405.db2.gz MLSVJWWYLYCZOE-CYBMUJFWSA-N 1 2 294.420 2.031 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C[C@@H](C)C#N ZINC000066424915 343713786 /nfs/dbraw/zinc/71/37/86/343713786.db2.gz OIELFWPNENUIQV-NSHDSACASA-N 1 2 295.333 2.063 20 30 CEEDLO CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C[C@@H](C)C#N ZINC000066424915 343713789 /nfs/dbraw/zinc/71/37/89/343713789.db2.gz OIELFWPNENUIQV-NSHDSACASA-N 1 2 295.333 2.063 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000066468970 343715123 /nfs/dbraw/zinc/71/51/23/343715123.db2.gz QWGDTZOQCXTLBB-DZGCQCFKSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000066468970 343715125 /nfs/dbraw/zinc/71/51/25/343715125.db2.gz QWGDTZOQCXTLBB-DZGCQCFKSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)CC#N)c(C)c1 ZINC000068612948 343769523 /nfs/dbraw/zinc/76/95/23/343769523.db2.gz GFMRLPZLFWFLRX-ZDUSSCGKSA-N 1 2 259.353 2.442 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000069875841 343792016 /nfs/dbraw/zinc/79/20/16/343792016.db2.gz FJMRYGIFFXNBHY-SWLSCSKDSA-N 1 2 277.368 2.154 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000069875841 343792018 /nfs/dbraw/zinc/79/20/18/343792018.db2.gz FJMRYGIFFXNBHY-SWLSCSKDSA-N 1 2 277.368 2.154 20 30 CEEDLO N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC000602119242 346977822 /nfs/dbraw/zinc/97/78/22/346977822.db2.gz WGYAQMDJSLQFLT-UPJWGTAASA-N 1 2 272.352 2.102 20 30 CEEDLO N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC000602119242 346977823 /nfs/dbraw/zinc/97/78/23/346977823.db2.gz WGYAQMDJSLQFLT-UPJWGTAASA-N 1 2 272.352 2.102 20 30 CEEDLO CC(C)C[C@@H](C(=O)NCC1(CC#N)CC1)n1cc[nH+]c1 ZINC000602148257 346982107 /nfs/dbraw/zinc/98/21/07/346982107.db2.gz ISYXAFKGWCLSDI-ZDUSSCGKSA-N 1 2 274.368 2.280 20 30 CEEDLO CC(C)C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC000602153179 346983080 /nfs/dbraw/zinc/98/30/80/346983080.db2.gz LHAOJCLTBCGORR-WFASDCNBSA-N 1 2 274.368 2.279 20 30 CEEDLO C=CCCCN(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000076955045 343903098 /nfs/dbraw/zinc/90/30/98/343903098.db2.gz QVWDGVSMPAHJCR-UHFFFAOYSA-N 1 2 276.384 2.327 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000077499450 343922502 /nfs/dbraw/zinc/92/25/02/343922502.db2.gz IIUYJMPEKNYGPQ-SNVBAGLBSA-N 1 2 287.298 2.104 20 30 CEEDLO CCC[N@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1 ZINC000092111808 344178294 /nfs/dbraw/zinc/17/82/94/344178294.db2.gz RMTCGROHUQDURN-UHFFFAOYSA-N 1 2 269.352 2.099 20 30 CEEDLO CCC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1 ZINC000092111808 344178296 /nfs/dbraw/zinc/17/82/96/344178296.db2.gz RMTCGROHUQDURN-UHFFFAOYSA-N 1 2 269.352 2.099 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](COC)C1 ZINC000093528679 344226321 /nfs/dbraw/zinc/22/63/21/344226321.db2.gz ZMXJMGBPJYHKDB-OAHLLOKOSA-N 1 2 277.364 2.099 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](COC)C1 ZINC000093528679 344226323 /nfs/dbraw/zinc/22/63/23/344226323.db2.gz ZMXJMGBPJYHKDB-OAHLLOKOSA-N 1 2 277.364 2.099 20 30 CEEDLO N#Cc1cccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000602454382 347039414 /nfs/dbraw/zinc/03/94/14/347039414.db2.gz RUQYXSWOWPVVCE-AWEZNQCLSA-N 1 2 267.336 2.404 20 30 CEEDLO Cc1ncsc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602460040 347042317 /nfs/dbraw/zinc/04/23/17/347042317.db2.gz RLSCPWLKNQDDIK-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO Cc1ncsc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602460040 347042319 /nfs/dbraw/zinc/04/23/19/347042319.db2.gz RLSCPWLKNQDDIK-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO C[N@H+](Cc1ccsc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152930757 344427723 /nfs/dbraw/zinc/42/77/23/344427723.db2.gz VOWZMCGCQZLOLW-CQSZACIVSA-N 1 2 285.372 2.278 20 30 CEEDLO C[N@@H+](Cc1ccsc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152930757 344427726 /nfs/dbraw/zinc/42/77/26/344427726.db2.gz VOWZMCGCQZLOLW-CQSZACIVSA-N 1 2 285.372 2.278 20 30 CEEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000166226160 344476039 /nfs/dbraw/zinc/47/60/39/344476039.db2.gz WRANVQLMHOSBJM-UHFFFAOYSA-N 1 2 260.337 2.252 20 30 CEEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000166226160 344476041 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345288378 /nfs/dbraw/zinc/28/83/78/345288378.db2.gz ZZMAVJSGJQSJQP-WFASDCNBSA-N 1 2 263.385 2.011 20 30 CEEDLO CC(C)(C)N1CC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000591845678 345288381 /nfs/dbraw/zinc/28/83/81/345288381.db2.gz ZZMAVJSGJQSJQP-WFASDCNBSA-N 1 2 263.385 2.011 20 30 CEEDLO CC(C)(C)N1CC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000591845669 345288386 /nfs/dbraw/zinc/28/83/86/345288386.db2.gz ZZMAVJSGJQSJQP-DOMZBBRYSA-N 1 2 263.385 2.011 20 30 CEEDLO CC(C)(C)N1CC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000591845669 345288388 /nfs/dbraw/zinc/28/83/88/345288388.db2.gz ZZMAVJSGJQSJQP-DOMZBBRYSA-N 1 2 263.385 2.011 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000592121629 345325131 /nfs/dbraw/zinc/32/51/31/345325131.db2.gz XIDBPIJSAJJLDC-QGZVFWFLSA-N 1 2 294.358 2.139 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000592121629 345325136 /nfs/dbraw/zinc/32/51/36/345325136.db2.gz XIDBPIJSAJJLDC-QGZVFWFLSA-N 1 2 294.358 2.139 20 30 CEEDLO 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/nfs/dbraw/zinc/55/68/40/345556840.db2.gz ULDCDIDUBOEFTG-UHFFFAOYSA-N 1 2 287.363 2.261 20 30 CEEDLO CCOC(=O)[C@H]([NH2+]CCOCCC#N)C1CCCCCC1 ZINC000594049920 345573396 /nfs/dbraw/zinc/57/33/96/345573396.db2.gz XJPVLYIKUJFKPD-OAHLLOKOSA-N 1 2 296.411 2.408 20 30 CEEDLO COc1cc(OC)c(C[NH2+]CC2(C#N)CC2)cc1F ZINC000593622662 345514573 /nfs/dbraw/zinc/51/45/73/345514573.db2.gz QTIPCRIBKXUBGC-UHFFFAOYSA-N 1 2 264.300 2.236 20 30 CEEDLO COCc1cnc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593653401 345517046 /nfs/dbraw/zinc/51/70/46/345517046.db2.gz JQCFIKZJECSLPT-UHFFFAOYSA-N 1 2 265.382 2.463 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594234928 345602174 /nfs/dbraw/zinc/60/21/74/345602174.db2.gz QCPXGURXCGJUCF-UONOGXRCSA-N 1 2 296.374 2.138 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)CCCCC#N)cn21 ZINC000594286312 345608991 /nfs/dbraw/zinc/60/89/91/345608991.db2.gz LHTPMEWGHUHFMJ-UHFFFAOYSA-N 1 2 270.336 2.343 20 30 CEEDLO N#CC1(C[NH2+]Cc2cc3n(n2)CCCC3)CCCC1 ZINC000594605855 345659380 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347232670 /nfs/dbraw/zinc/23/26/70/347232670.db2.gz YYEDVZGHUZAHQL-SNVBAGLBSA-N 1 2 288.376 2.435 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000602900668 347242055 /nfs/dbraw/zinc/24/20/55/347242055.db2.gz VYTNZRRGTNSONX-OAHLLOKOSA-N 1 2 274.364 2.292 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000602900668 347242058 /nfs/dbraw/zinc/24/20/58/347242058.db2.gz VYTNZRRGTNSONX-OAHLLOKOSA-N 1 2 274.364 2.292 20 30 CEEDLO Cc1cc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(C)c[nH+]1 ZINC000602921112 347248155 /nfs/dbraw/zinc/24/81/55/347248155.db2.gz CZAYNBJSCGJOCV-GXTWGEPZSA-N 1 2 272.352 2.276 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602978405 347263450 /nfs/dbraw/zinc/26/34/50/347263450.db2.gz QDKHTMWPUIVEMT-DZGCQCFKSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602978405 347263453 /nfs/dbraw/zinc/26/34/53/347263453.db2.gz QDKHTMWPUIVEMT-DZGCQCFKSA-N 1 2 289.354 2.066 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981985 347265140 /nfs/dbraw/zinc/26/51/40/347265140.db2.gz MCUNXUNKYOCTFM-WDEREUQCSA-N 1 2 291.317 2.021 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981985 347265142 /nfs/dbraw/zinc/26/51/42/347265142.db2.gz MCUNXUNKYOCTFM-WDEREUQCSA-N 1 2 291.317 2.021 20 30 CEEDLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[C@H]1C#N ZINC000603006718 347271404 /nfs/dbraw/zinc/27/14/04/347271404.db2.gz JXWMMUBJFTWKPL-AAEUAGOBSA-N 1 2 283.335 2.490 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)nc1 ZINC000603012417 347273017 /nfs/dbraw/zinc/27/30/17/347273017.db2.gz BTFAMBXOQYDSMS-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CC(C#N)C3)ccc21 ZINC000603022277 347273475 /nfs/dbraw/zinc/27/34/75/347273475.db2.gz PBGBGCKJTJVGRL-UHFFFAOYSA-N 1 2 295.346 2.288 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)CCC(F)(F)F ZINC000604525329 347419592 /nfs/dbraw/zinc/41/95/92/347419592.db2.gz 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/nfs/dbraw/zinc/67/95/56/347679556.db2.gz VVVOBLGWTTWUJB-NXEZZACHSA-N 1 2 282.331 2.285 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505218 347687232 /nfs/dbraw/zinc/68/72/32/347687232.db2.gz CQHBDELVKNLZBW-WFASDCNBSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505218 347687233 /nfs/dbraw/zinc/68/72/33/347687233.db2.gz CQHBDELVKNLZBW-WFASDCNBSA-N 1 2 289.354 2.333 20 30 CEEDLO Cc1nc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)sc1C ZINC000610787289 347714834 /nfs/dbraw/zinc/71/48/34/347714834.db2.gz IMGAOHQGISSXJS-CQSZACIVSA-N 1 2 292.452 2.426 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)nc3)ccc2n1C ZINC000610310270 347671883 /nfs/dbraw/zinc/67/18/83/347671883.db2.gz CMOKPSBQWKGMAS-UHFFFAOYSA-N 1 2 291.314 2.401 20 30 CEEDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610994987 347729712 /nfs/dbraw/zinc/72/97/12/347729712.db2.gz QQKBNGFZFMPUBY-UHFFFAOYSA-N 1 2 291.358 2.472 20 30 CEEDLO 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C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187480282 369166212 /nfs/dbraw/zinc/16/62/12/369166212.db2.gz CCHNYFPWDLJCGR-MLCYQJTMSA-N 1 2 284.812 2.410 20 30 CEEDLO C=CC[C@@H](C)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635574880 369226563 /nfs/dbraw/zinc/22/65/63/369226563.db2.gz DZXQDTURMCNOAV-CZUORRHYSA-N 1 2 288.391 2.350 20 30 CEEDLO C=CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635574880 369226569 /nfs/dbraw/zinc/22/65/69/369226569.db2.gz DZXQDTURMCNOAV-CZUORRHYSA-N 1 2 288.391 2.350 20 30 CEEDLO CCCN1CCC[N@H+](Cc2ccc(C#N)s2)CC1=O ZINC000189204768 369475607 /nfs/dbraw/zinc/47/56/07/369475607.db2.gz VQVBNXCCANNUFH-UHFFFAOYSA-N 1 2 277.393 2.064 20 30 CEEDLO CCCN1CCC[N@@H+](Cc2ccc(C#N)s2)CC1=O ZINC000189204768 369475608 /nfs/dbraw/zinc/47/56/08/369475608.db2.gz VQVBNXCCANNUFH-UHFFFAOYSA-N 1 2 277.393 2.064 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1c(OC)cccc1OC ZINC000639098409 370974220 /nfs/dbraw/zinc/97/42/20/370974220.db2.gz AVTIZXIDGYVBBN-UHFFFAOYSA-N 1 2 265.353 2.338 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1c(OC)cccc1OC ZINC000639098409 370974227 /nfs/dbraw/zinc/97/42/27/370974227.db2.gz AVTIZXIDGYVBBN-UHFFFAOYSA-N 1 2 265.353 2.338 20 30 CEEDLO COC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000189432117 369516442 /nfs/dbraw/zinc/51/64/42/369516442.db2.gz OLFXCSWBFVXOFX-XJKSGUPXSA-N 1 2 293.794 2.427 20 30 CEEDLO COC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000189432117 369516444 /nfs/dbraw/zinc/51/64/44/369516444.db2.gz OLFXCSWBFVXOFX-XJKSGUPXSA-N 1 2 293.794 2.427 20 30 CEEDLO CC#CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000189959998 369583711 /nfs/dbraw/zinc/58/37/11/369583711.db2.gz OTBPQGRGEZVFQU-UHFFFAOYSA-N 1 2 298.346 2.107 20 30 CEEDLO C=CCC[N@@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000276356709 193298944 /nfs/dbraw/zinc/29/89/44/193298944.db2.gz FEMIEJMEFPAKMH-UHFFFAOYSA-N 1 2 297.424 2.150 20 30 CEEDLO C=CCC[N@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000276356709 193298945 /nfs/dbraw/zinc/29/89/45/193298945.db2.gz FEMIEJMEFPAKMH-UHFFFAOYSA-N 1 2 297.424 2.150 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000351729795 369651623 /nfs/dbraw/zinc/65/16/23/369651623.db2.gz IVHQEPBKHOXLDD-NSHDSACASA-N 1 2 285.347 2.142 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000351729795 369651626 /nfs/dbraw/zinc/65/16/26/369651626.db2.gz IVHQEPBKHOXLDD-NSHDSACASA-N 1 2 285.347 2.142 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000191087244 369677187 /nfs/dbraw/zinc/67/71/87/369677187.db2.gz KRKKMWHUDRAJKV-AWEZNQCLSA-N 1 2 286.379 2.463 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000191087244 369677189 /nfs/dbraw/zinc/67/71/89/369677189.db2.gz KRKKMWHUDRAJKV-AWEZNQCLSA-N 1 2 286.379 2.463 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](CC)C(=O)OC ZINC000352795321 369881556 /nfs/dbraw/zinc/88/15/56/369881556.db2.gz DBZCYPWXJLTEAV-CQSZACIVSA-N 1 2 281.352 2.102 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](CC)C(=O)OC ZINC000352795321 369881559 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370185398 /nfs/dbraw/zinc/18/53/98/370185398.db2.gz CWXXLWATSKGHKH-LBPRGKRZSA-N 1 2 254.337 2.458 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1cnn2ccccc12)C1CC1 ZINC000354025397 370185401 /nfs/dbraw/zinc/18/54/01/370185401.db2.gz CWXXLWATSKGHKH-LBPRGKRZSA-N 1 2 254.337 2.458 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](CC)CN1C(C)=O ZINC000354118312 370223783 /nfs/dbraw/zinc/22/37/83/370223783.db2.gz VOSWSTVRDYYGOB-KBPBESRZSA-N 1 2 289.379 2.373 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](CC)CN1C(C)=O ZINC000354118312 370223788 /nfs/dbraw/zinc/22/37/88/370223788.db2.gz VOSWSTVRDYYGOB-KBPBESRZSA-N 1 2 289.379 2.373 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1C#N ZINC000228163382 370399428 /nfs/dbraw/zinc/39/94/28/370399428.db2.gz IMNCIEZTDJDENU-ZBFHGGJFSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1C#N ZINC000228163382 370399433 /nfs/dbraw/zinc/39/94/33/370399433.db2.gz IMNCIEZTDJDENU-ZBFHGGJFSA-N 1 2 272.348 2.320 20 30 CEEDLO Cc1cnc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000355082275 370501783 /nfs/dbraw/zinc/50/17/83/370501783.db2.gz QHGNGDRQTXABND-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO Cc1cc[nH+]c(N2CCN(Cc3nc(C#N)cs3)CC2)c1 ZINC000356061060 370622754 /nfs/dbraw/zinc/62/27/54/370622754.db2.gz JCUVNYKKSUKZGM-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000358580617 371126123 /nfs/dbraw/zinc/12/61/23/371126123.db2.gz YJBPYIQZZRATPT-NSHDSACASA-N 1 2 299.353 2.404 20 30 CEEDLO C[C@@H](C#N)CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255163123 371563262 /nfs/dbraw/zinc/56/32/62/371563262.db2.gz PPDPYTVMBGCGFU-IRBQFCFKSA-N 1 2 280.331 2.161 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361748546 372052417 /nfs/dbraw/zinc/05/24/17/372052417.db2.gz BHJQXXGMKIAWGM-XHDPSFHLSA-N 1 2 290.338 2.471 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361748546 372052422 /nfs/dbraw/zinc/05/24/22/372052422.db2.gz BHJQXXGMKIAWGM-XHDPSFHLSA-N 1 2 290.338 2.471 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)ccc2C)nn1 ZINC000640833158 372160502 /nfs/dbraw/zinc/16/05/02/372160502.db2.gz MMPHNISZSPJPME-UHFFFAOYSA-N 1 2 268.364 2.056 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)ccc2F)nn1 ZINC000640942484 372186917 /nfs/dbraw/zinc/18/69/17/372186917.db2.gz JMZQDCUNAVXOJX-UHFFFAOYSA-N 1 2 292.745 2.232 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCCc2cccc(OC)c2)nn1 ZINC000641058679 372263332 /nfs/dbraw/zinc/26/33/32/372263332.db2.gz UDNOOIWDKQZUAL-UHFFFAOYSA-N 1 2 298.390 2.032 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362512452 372396653 /nfs/dbraw/zinc/39/66/53/372396653.db2.gz QTHJCEWPESFMHU-QGZVFWFLSA-N 1 2 286.375 2.186 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362512452 372396656 /nfs/dbraw/zinc/39/66/56/372396656.db2.gz QTHJCEWPESFMHU-QGZVFWFLSA-N 1 2 286.375 2.186 20 30 CEEDLO Cn1ccnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000269632132 372512027 /nfs/dbraw/zinc/51/20/27/372512027.db2.gz UXLBWYRWRWEATP-UHFFFAOYSA-N 1 2 252.321 2.071 20 30 CEEDLO Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000333485029 205364924 /nfs/dbraw/zinc/36/49/24/205364924.db2.gz PZEVINGMRCBFHR-DZGCQCFKSA-N 1 2 257.337 2.053 20 30 CEEDLO Cc1ccc(C#N)c(NCc2cccnc2-n2cc[nH+]c2)n1 ZINC000367644066 373174462 /nfs/dbraw/zinc/17/44/62/373174462.db2.gz MWWGCLDOHARJTE-UHFFFAOYSA-N 1 2 290.330 2.455 20 30 CEEDLO COc1cc(C[NH+]2CC(n3cc(C)cn3)C2)ccc1C#N ZINC000369186687 373353359 /nfs/dbraw/zinc/35/33/59/373353359.db2.gz FAUFCEGAEPFGIN-UHFFFAOYSA-N 1 2 282.347 2.129 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1nc(COC)no1)c1ccccc1 ZINC000272279295 373403947 /nfs/dbraw/zinc/40/39/47/373403947.db2.gz QEDLMLVKBJFQPS-ZDUSSCGKSA-N 1 2 271.320 2.070 20 30 CEEDLO CC#CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272452231 373493100 /nfs/dbraw/zinc/49/31/00/373493100.db2.gz CKLFPAIWMLWOQM-UHFFFAOYSA-N 1 2 251.333 2.254 20 30 CEEDLO CC#CC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272452231 373493110 /nfs/dbraw/zinc/49/31/10/373493110.db2.gz CKLFPAIWMLWOQM-UHFFFAOYSA-N 1 2 251.333 2.254 20 30 CEEDLO CC#CC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272452231 373493119 /nfs/dbraw/zinc/49/31/19/373493119.db2.gz CKLFPAIWMLWOQM-UHFFFAOYSA-N 1 2 251.333 2.254 20 30 CEEDLO N#Cc1cnc(NCc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC000273953411 373776406 /nfs/dbraw/zinc/77/64/06/373776406.db2.gz FAUQSUOGVUGVOM-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000645078957 373841668 /nfs/dbraw/zinc/84/16/68/373841668.db2.gz MGFBXPBBGQEAKW-GFCCVEGCSA-N 1 2 265.357 2.362 20 30 CEEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000645078957 373841678 /nfs/dbraw/zinc/84/16/78/373841678.db2.gz MGFBXPBBGQEAKW-GFCCVEGCSA-N 1 2 265.357 2.362 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274243006 373852375 /nfs/dbraw/zinc/85/23/75/373852375.db2.gz YCRZNTJAOFREOR-DOMZBBRYSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274243006 373852380 /nfs/dbraw/zinc/85/23/80/373852380.db2.gz YCRZNTJAOFREOR-DOMZBBRYSA-N 1 2 292.404 2.128 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1cc(C#N)cs1 ZINC000371672203 373946293 /nfs/dbraw/zinc/94/62/93/373946293.db2.gz SCTCNTXSBIYUIM-LLVKDONJSA-N 1 2 286.360 2.331 20 30 CEEDLO COCC#CC[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000645257115 373951775 /nfs/dbraw/zinc/95/17/75/373951775.db2.gz CJOWFDRVHPDCGJ-UHFFFAOYSA-N 1 2 279.767 2.357 20 30 CEEDLO COCC#CC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000645257115 373951779 /nfs/dbraw/zinc/95/17/79/373951779.db2.gz CJOWFDRVHPDCGJ-UHFFFAOYSA-N 1 2 279.767 2.357 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000371575559 373925824 /nfs/dbraw/zinc/92/58/24/373925824.db2.gz PVGKRMLJQNICRU-OAHLLOKOSA-N 1 2 272.348 2.476 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000371575559 373925838 /nfs/dbraw/zinc/92/58/38/373925838.db2.gz PVGKRMLJQNICRU-OAHLLOKOSA-N 1 2 272.348 2.476 20 30 CEEDLO C#CCCC[N@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000275254716 374198857 /nfs/dbraw/zinc/19/88/57/374198857.db2.gz HGKSKQVDSOEOAY-GFCCVEGCSA-N 1 2 250.367 2.238 20 30 CEEDLO C#CCCC[N@@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000275254716 374198865 /nfs/dbraw/zinc/19/88/65/374198865.db2.gz HGKSKQVDSOEOAY-GFCCVEGCSA-N 1 2 250.367 2.238 20 30 CEEDLO CO[C@H](C)c1nc(C[NH2+]Cc2cc(C#N)n(C)c2)cs1 ZINC000276672545 374261075 /nfs/dbraw/zinc/26/10/75/374261075.db2.gz YWKKBDAMLKFEGD-SNVBAGLBSA-N 1 2 290.392 2.350 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](C2CC2)O1 ZINC000373476128 374360650 /nfs/dbraw/zinc/36/06/50/374360650.db2.gz VAKRJJGCLGANGC-WBMJQRKESA-N 1 2 296.374 2.205 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](C2CC2)O1 ZINC000373476128 374360655 /nfs/dbraw/zinc/36/06/55/374360655.db2.gz VAKRJJGCLGANGC-WBMJQRKESA-N 1 2 296.374 2.205 20 30 CEEDLO C=CCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684139713 541931492 /nfs/dbraw/zinc/93/14/92/541931492.db2.gz PQYGSORKHBVTKZ-ZDUSSCGKSA-N 1 2 262.357 2.196 20 30 CEEDLO C#CCCN1CC[NH+](CCc2ccccc2F)CC1 ZINC000277587961 374573293 /nfs/dbraw/zinc/57/32/93/374573293.db2.gz UPFVZUXHDHSTIT-UHFFFAOYSA-N 1 2 260.356 2.009 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375438427 374657914 /nfs/dbraw/zinc/65/79/14/374657914.db2.gz OFXPPBZXAGRASP-SNVBAGLBSA-N 1 2 253.733 2.489 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375438427 374657917 /nfs/dbraw/zinc/65/79/17/374657917.db2.gz OFXPPBZXAGRASP-SNVBAGLBSA-N 1 2 253.733 2.489 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)CC#Cc2ccccc2)n1 ZINC000279657614 374945906 /nfs/dbraw/zinc/94/59/06/374945906.db2.gz CJAACEYIKVEANZ-UHFFFAOYSA-N 1 2 277.371 2.390 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)CC#Cc2ccccc2)n1 ZINC000279657614 374945914 /nfs/dbraw/zinc/94/59/14/374945914.db2.gz CJAACEYIKVEANZ-UHFFFAOYSA-N 1 2 277.371 2.390 20 30 CEEDLO C=C(Br)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000280256711 375145649 /nfs/dbraw/zinc/14/56/49/375145649.db2.gz BWZJYGBWNPHLGV-GFCCVEGCSA-N 1 2 297.196 2.444 20 30 CEEDLO C=C(Br)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000280256711 375145653 /nfs/dbraw/zinc/14/56/53/375145653.db2.gz BWZJYGBWNPHLGV-GFCCVEGCSA-N 1 2 297.196 2.444 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000280727522 375298195 /nfs/dbraw/zinc/29/81/95/375298195.db2.gz JOZZJKVIPRBIOP-CZUORRHYSA-N 1 2 288.395 2.470 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000280727522 375298200 /nfs/dbraw/zinc/29/82/00/375298200.db2.gz JOZZJKVIPRBIOP-CZUORRHYSA-N 1 2 288.395 2.470 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2O)C1=O ZINC000281227871 375363872 /nfs/dbraw/zinc/36/38/72/375363872.db2.gz KUNUKGPRRJSAHU-ZDUSSCGKSA-N 1 2 294.782 2.264 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)C(C)C ZINC000281481099 375383489 /nfs/dbraw/zinc/38/34/89/375383489.db2.gz URXOQSKOLJQDBS-CQSZACIVSA-N 1 2 284.363 2.100 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccc(Cl)cn1 ZINC000414107779 375795621 /nfs/dbraw/zinc/79/56/21/375795621.db2.gz KUSLNYAEAYDTLL-LLVKDONJSA-N 1 2 285.800 2.033 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccc(Cl)cn1 ZINC000414107779 375795630 /nfs/dbraw/zinc/79/56/30/375795630.db2.gz KUSLNYAEAYDTLL-LLVKDONJSA-N 1 2 285.800 2.033 20 30 CEEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)nn1C ZINC000414323986 375830807 /nfs/dbraw/zinc/83/08/07/375830807.db2.gz WJWDARJBBYWLEQ-UHFFFAOYSA-N 1 2 285.351 2.418 20 30 CEEDLO Cc1nsc(N2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000286170069 375861699 /nfs/dbraw/zinc/86/16/99/375861699.db2.gz PKYBUNSDKYXFCL-UHFFFAOYSA-N 1 2 288.376 2.238 20 30 CEEDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000263681772 190073592 /nfs/dbraw/zinc/07/35/92/190073592.db2.gz JJCXCWWPPVPPED-INIZCTEOSA-N 1 2 285.391 2.439 20 30 CEEDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000263681772 190073593 /nfs/dbraw/zinc/07/35/93/190073593.db2.gz JJCXCWWPPVPPED-INIZCTEOSA-N 1 2 285.391 2.439 20 30 CEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C(F)F)CC2)cc1 ZINC000307877115 376573177 /nfs/dbraw/zinc/57/31/77/376573177.db2.gz IWXDDUBEWLIVIP-UHFFFAOYSA-N 1 2 293.317 2.474 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000289980595 376586198 /nfs/dbraw/zinc/58/61/98/376586198.db2.gz XWRNHEKWRBWJGE-CHWSQXEVSA-N 1 2 255.308 2.389 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000264425256 190109065 /nfs/dbraw/zinc/10/90/65/190109065.db2.gz BDKINESMCYYHCV-UHFFFAOYSA-N 1 2 290.363 2.294 20 30 CEEDLO C#Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000290169896 376670276 /nfs/dbraw/zinc/67/02/76/376670276.db2.gz YGLQEEXCCKNSQZ-ZDUSSCGKSA-N 1 2 259.349 2.440 20 30 CEEDLO C#Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000290169896 376670280 /nfs/dbraw/zinc/67/02/80/376670280.db2.gz YGLQEEXCCKNSQZ-ZDUSSCGKSA-N 1 2 259.349 2.440 20 30 CEEDLO C=C1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000264480088 190113284 /nfs/dbraw/zinc/11/32/84/190113284.db2.gz PTTIOIUYNWEBNW-UHFFFAOYSA-N 1 2 254.337 2.419 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cn[nH]c1)Cc1ccc(CO)o1 ZINC000685442357 542138468 /nfs/dbraw/zinc/13/84/68/542138468.db2.gz POTWABNCFRWSNU-UHFFFAOYSA-N 1 2 261.325 2.073 20 30 CEEDLO C=C(C)C[N@H+](Cc1cn[nH]c1)Cc1ccc(CO)o1 ZINC000685442357 542138472 /nfs/dbraw/zinc/13/84/72/542138472.db2.gz POTWABNCFRWSNU-UHFFFAOYSA-N 1 2 261.325 2.073 20 30 CEEDLO CC1(C)[C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C[C@@H]21 ZINC000328602997 376858582 /nfs/dbraw/zinc/85/85/82/376858582.db2.gz HJKJFVACXKDPQR-RWMBFGLXSA-N 1 2 288.395 2.262 20 30 CEEDLO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3cc(C)on3)C2)n1 ZINC000328615289 376861086 /nfs/dbraw/zinc/86/10/86/376861086.db2.gz ASZUBFDGBRUCJK-ZDUSSCGKSA-N 1 2 289.339 2.234 20 30 CEEDLO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3cc(C)on3)C2)n1 ZINC000328615289 376861096 /nfs/dbraw/zinc/86/10/96/376861096.db2.gz ASZUBFDGBRUCJK-ZDUSSCGKSA-N 1 2 289.339 2.234 20 30 CEEDLO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3cc(C)on3)C2)n1 ZINC000328615287 376861568 /nfs/dbraw/zinc/86/15/68/376861568.db2.gz ASZUBFDGBRUCJK-CYBMUJFWSA-N 1 2 289.339 2.234 20 30 CEEDLO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3cc(C)on3)C2)n1 ZINC000328615287 376861574 /nfs/dbraw/zinc/86/15/74/376861574.db2.gz ASZUBFDGBRUCJK-CYBMUJFWSA-N 1 2 289.339 2.234 20 30 CEEDLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000328665932 376876647 /nfs/dbraw/zinc/87/66/47/376876647.db2.gz CJLYSMUJIUMWFL-CYBMUJFWSA-N 1 2 286.335 2.408 20 30 CEEDLO Cc1nn(C)cc1[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000328821689 376904236 /nfs/dbraw/zinc/90/42/36/376904236.db2.gz HYIBJXVYMRSBAK-SNVBAGLBSA-N 1 2 275.356 2.112 20 30 CEEDLO Cc1ccc(NC(=O)N[C@H]2CCO[C@H]2C2CC2)c(C)[nH+]1 ZINC000328839329 376907705 /nfs/dbraw/zinc/90/77/05/376907705.db2.gz OFXWVSKHTFZDER-KBPBESRZSA-N 1 2 275.352 2.401 20 30 CEEDLO Cc1ccc(NC(=O)N[C@@H]2CCO[C@H]2C2CC2)c(C)[nH+]1 ZINC000328839332 376908730 /nfs/dbraw/zinc/90/87/30/376908730.db2.gz OFXWVSKHTFZDER-KGLIPLIRSA-N 1 2 275.352 2.401 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000328873656 376914277 /nfs/dbraw/zinc/91/42/77/376914277.db2.gz YXKXUNPVLIHXBE-LBPRGKRZSA-N 1 2 277.368 2.411 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCNC2=O)[C@@H]1C ZINC000328880521 376914519 /nfs/dbraw/zinc/91/45/19/376914519.db2.gz KRPVPJANFYZWFJ-FVCCEPFGSA-N 1 2 281.400 2.428 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCNC2=O)[C@@H]1C ZINC000328880521 376914524 /nfs/dbraw/zinc/91/45/24/376914524.db2.gz KRPVPJANFYZWFJ-FVCCEPFGSA-N 1 2 281.400 2.428 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000329386720 376958588 /nfs/dbraw/zinc/95/85/88/376958588.db2.gz PUUAIQQWTZRYRW-AWEZNQCLSA-N 1 2 298.390 2.496 20 30 CEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C3(C#N)CCCC3)n2)C1 ZINC000329388648 376958666 /nfs/dbraw/zinc/95/86/66/376958666.db2.gz RLQNZOKWVDJZTK-GFCCVEGCSA-N 1 2 290.367 2.187 20 30 CEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C3(C#N)CCCC3)n2)C1 ZINC000329388648 376958673 /nfs/dbraw/zinc/95/86/73/376958673.db2.gz RLQNZOKWVDJZTK-GFCCVEGCSA-N 1 2 290.367 2.187 20 30 CEEDLO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@]34CCOC4)sc2C1 ZINC000329692730 376994484 /nfs/dbraw/zinc/99/44/84/376994484.db2.gz ZZRMTIKDJJZZOR-OTYXRUKQSA-N 1 2 293.392 2.146 20 30 CEEDLO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@]34CCOC4)sc2C1 ZINC000329692730 376994492 /nfs/dbraw/zinc/99/44/92/376994492.db2.gz ZZRMTIKDJJZZOR-OTYXRUKQSA-N 1 2 293.392 2.146 20 30 CEEDLO C=CCOCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000292699325 377262641 /nfs/dbraw/zinc/26/26/41/377262641.db2.gz ALSIOUVOTOUCDJ-MRXNPFEDSA-N 1 2 291.391 2.295 20 30 CEEDLO C=CCOCC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000292699325 377262646 /nfs/dbraw/zinc/26/26/46/377262646.db2.gz ALSIOUVOTOUCDJ-MRXNPFEDSA-N 1 2 291.391 2.295 20 30 CEEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000424204547 377274336 /nfs/dbraw/zinc/27/43/36/377274336.db2.gz SYPLGOZBYRJPSR-QMMMGPOBSA-N 1 2 291.332 2.245 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000424780911 377293818 /nfs/dbraw/zinc/29/38/18/377293818.db2.gz XXWYRQPOOXABMR-ZDUSSCGKSA-N 1 2 273.380 2.379 20 30 CEEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCSCC3)o2)c1 ZINC000331275500 377356154 /nfs/dbraw/zinc/35/61/54/377356154.db2.gz QBKILPMZOJYKFB-UHFFFAOYSA-N 1 2 286.360 2.157 20 30 CEEDLO CC#CCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425514587 377356916 /nfs/dbraw/zinc/35/69/16/377356916.db2.gz UWXKRZBVVDPJQS-BETUJISGSA-N 1 2 279.286 2.202 20 30 CEEDLO CC#CCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425514587 377356921 /nfs/dbraw/zinc/35/69/21/377356921.db2.gz UWXKRZBVVDPJQS-BETUJISGSA-N 1 2 279.286 2.202 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000293206592 377471643 /nfs/dbraw/zinc/47/16/43/377471643.db2.gz QZVQIIVQDIGBRU-UHFFFAOYSA-N 1 2 270.376 2.133 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000293206592 377471647 /nfs/dbraw/zinc/47/16/47/377471647.db2.gz QZVQIIVQDIGBRU-UHFFFAOYSA-N 1 2 270.376 2.133 20 30 CEEDLO C[C@H](CC(=O)NCCc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000565425412 377657788 /nfs/dbraw/zinc/65/77/88/377657788.db2.gz CQDHAEWZWWJDPZ-CYBMUJFWSA-N 1 2 282.347 2.065 20 30 CEEDLO C=C[C@H](CO)Nc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000432166519 377725720 /nfs/dbraw/zinc/72/57/20/377725720.db2.gz YJPKMJHTLKLSHP-GFCCVEGCSA-N 1 2 270.336 2.203 20 30 CEEDLO CCCN(CCC)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433314660 377787391 /nfs/dbraw/zinc/78/73/91/377787391.db2.gz BFFFZTSEPAIYIE-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO CCCN(CCC)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433314660 377787395 /nfs/dbraw/zinc/78/73/95/377787395.db2.gz BFFFZTSEPAIYIE-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO Cc1nc(N(C)C)nc(N[C@@H](CCC#N)c2ccccc2)[nH+]1 ZINC000439117692 377918715 /nfs/dbraw/zinc/91/87/15/377918715.db2.gz SWIDJNDHTGZGAW-AWEZNQCLSA-N 1 2 296.378 2.125 20 30 CEEDLO Cc1nc(N[C@@H](CCC#N)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000439117692 377918718 /nfs/dbraw/zinc/91/87/18/377918718.db2.gz SWIDJNDHTGZGAW-AWEZNQCLSA-N 1 2 296.378 2.125 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000442850338 378008101 /nfs/dbraw/zinc/00/81/01/378008101.db2.gz PDSNYOGJPBDQJL-OLZOCXBDSA-N 1 2 272.352 2.022 20 30 CEEDLO C=C(C)[C@H](CC(=O)N[C@H](CC)c1[nH]cc[nH+]1)OCC ZINC000442806037 378000782 /nfs/dbraw/zinc/00/07/82/378000782.db2.gz ZYZLKRPJJJWPOY-NEPJUHHUSA-N 1 2 265.357 2.348 20 30 CEEDLO CC#CC[N@@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000265994975 190221836 /nfs/dbraw/zinc/22/18/36/190221836.db2.gz LCTWYSRRTNDBPG-UHFFFAOYSA-N 1 2 298.308 2.277 20 30 CEEDLO CC#CC[N@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000265994975 190221837 /nfs/dbraw/zinc/22/18/37/190221837.db2.gz LCTWYSRRTNDBPG-UHFFFAOYSA-N 1 2 298.308 2.277 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000448624813 378176684 /nfs/dbraw/zinc/17/66/84/378176684.db2.gz JLPBYLPNNRBJNQ-RISCZKNCSA-N 1 2 271.320 2.401 20 30 CEEDLO CCn1nc(C)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000295910849 378351502 /nfs/dbraw/zinc/35/15/02/378351502.db2.gz ZLRQIURBMORFME-UHFFFAOYSA-N 1 2 281.363 2.257 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000299560794 379045780 /nfs/dbraw/zinc/04/57/80/379045780.db2.gz SGTFLLJVZIKKKO-UHFFFAOYSA-N 1 2 280.331 2.232 20 30 CEEDLO CC(=O)c1ccc(C#N)c(NCc2[nH+]ccn2C)c1 ZINC000347410633 218225368 /nfs/dbraw/zinc/22/53/68/218225368.db2.gz QCKGGBTYSSTPRP-UHFFFAOYSA-N 1 2 254.293 2.106 20 30 CEEDLO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000352834365 220264516 /nfs/dbraw/zinc/26/45/16/220264516.db2.gz LMPUPJPKDJAAEG-UHFFFAOYSA-N 1 2 289.360 2.322 20 30 CEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cncc(F)c1 ZINC000352832176 220265005 /nfs/dbraw/zinc/26/50/05/220265005.db2.gz DWSCOZAXAFQAQW-QMMMGPOBSA-N 1 2 262.313 2.400 20 30 CEEDLO Cc1noc(C23CC(C2)C[N@@H+]3CCC(C)(C)C#N)n1 ZINC000528617059 380031954 /nfs/dbraw/zinc/03/19/54/380031954.db2.gz OQLBUHNNYBCBMF-UHFFFAOYSA-N 1 2 260.341 2.239 20 30 CEEDLO Cc1noc(C23CC(C2)C[N@H+]3CCC(C)(C)C#N)n1 ZINC000528617059 380031960 /nfs/dbraw/zinc/03/19/60/380031960.db2.gz OQLBUHNNYBCBMF-UHFFFAOYSA-N 1 2 260.341 2.239 20 30 CEEDLO C=CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000537934162 380245024 /nfs/dbraw/zinc/24/50/24/380245024.db2.gz AWHAZYBOOMAMLG-UHFFFAOYSA-N 1 2 269.348 2.362 20 30 CEEDLO COCc1cnc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000540996490 380265999 /nfs/dbraw/zinc/26/59/99/380265999.db2.gz ODQCRSNGKYGLTD-UHFFFAOYSA-N 1 2 265.382 2.415 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cnc(OC)c(Cl)c1 ZINC000532778012 380215932 /nfs/dbraw/zinc/21/59/32/380215932.db2.gz QXGAVASTXJZKSF-UHFFFAOYSA-N 1 2 253.733 2.479 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cnc(OC)c(Cl)c1 ZINC000532778012 380215936 /nfs/dbraw/zinc/21/59/36/380215936.db2.gz QXGAVASTXJZKSF-UHFFFAOYSA-N 1 2 253.733 2.479 20 30 CEEDLO Cc1cc(NC(=O)Cc2c(F)cccc2C#N)cc[nH+]1 ZINC000334349375 380282852 /nfs/dbraw/zinc/28/28/52/380282852.db2.gz AJLJCQRGJBHXLD-UHFFFAOYSA-N 1 2 269.279 2.004 20 30 CEEDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000543812000 380346820 /nfs/dbraw/zinc/34/68/20/380346820.db2.gz YPOUEBVPMXRUAS-CYBMUJFWSA-N 1 2 296.378 2.349 20 30 CEEDLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000334527528 380537078 /nfs/dbraw/zinc/53/70/78/380537078.db2.gz XIYWVTWTKXOEMK-IINYFYTJSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000334527528 380537080 /nfs/dbraw/zinc/53/70/80/380537080.db2.gz XIYWVTWTKXOEMK-IINYFYTJSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@](C#N)(NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000492861516 380712447 /nfs/dbraw/zinc/71/24/47/380712447.db2.gz JTNMCTPGMRHVGT-KIUWMYQTSA-N 1 2 272.352 2.402 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1ccnc(C#N)c1)c1ccccc1 ZINC000552925458 380716910 /nfs/dbraw/zinc/71/69/10/380716910.db2.gz SEWBSOWKUCQDBZ-MRXNPFEDSA-N 1 2 289.342 2.310 20 30 CEEDLO C=CCOc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492892139 380720125 /nfs/dbraw/zinc/72/01/25/380720125.db2.gz DXDNHFGFCYQENW-FPLPWBNLSA-N 1 2 283.331 2.304 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH2+]c2ccc(-n3ccnn3)cc2)C1 ZINC000555951229 380859642 /nfs/dbraw/zinc/85/96/42/380859642.db2.gz NITRSRJDBGMTKB-DGCLKSJQSA-N 1 2 253.309 2.371 20 30 CEEDLO N#Cc1cscc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000556557029 380910625 /nfs/dbraw/zinc/91/06/25/380910625.db2.gz IPZPWYGKHGXDMT-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO N#Cc1cscc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000556557029 380910628 /nfs/dbraw/zinc/91/06/28/380910628.db2.gz IPZPWYGKHGXDMT-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\Sc1ccccc1 ZINC000493552407 381052901 /nfs/dbraw/zinc/05/29/01/381052901.db2.gz KRZKPFXAWKHWPG-FJVVXJACSA-N 1 2 289.404 2.252 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000493722107 381142464 /nfs/dbraw/zinc/14/24/64/381142464.db2.gz LSNGQUBLRUKXMX-XTKXOIQPSA-N 1 2 296.374 2.141 20 30 CEEDLO C#CC[C@H](CC(F)(F)F)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493799257 381146527 /nfs/dbraw/zinc/14/65/27/381146527.db2.gz XOTLYZPGJHTUJQ-JMEBYUIHSA-N 1 2 299.296 2.377 20 30 CEEDLO C=CC[N@H+](CN1CC2(CCCC2)OC1=O)C1CC1 ZINC000494556975 381158444 /nfs/dbraw/zinc/15/84/44/381158444.db2.gz ZSZWCPHMGNCMCF-UHFFFAOYSA-N 1 2 250.342 2.359 20 30 CEEDLO C=CC[N@@H+](CN1CC2(CCCC2)OC1=O)C1CC1 ZINC000494556975 381158451 /nfs/dbraw/zinc/15/84/51/381158451.db2.gz ZSZWCPHMGNCMCF-UHFFFAOYSA-N 1 2 250.342 2.359 20 30 CEEDLO COC(=O)N1CCC(C/[NH+]=C/c2ccccc2O)CC1 ZINC000495675198 381181597 /nfs/dbraw/zinc/18/15/97/381181597.db2.gz AYVGFGDNYUAXFM-LFIBNONCSA-N 1 2 276.336 2.290 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC12CC[NH+](CCC#N)CC2 ZINC000496039925 381193867 /nfs/dbraw/zinc/19/38/67/381193867.db2.gz FBMUVRQJCYBFHQ-UHFFFAOYSA-N 1 2 279.384 2.375 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCC(C#N)CC1 ZINC000574821335 335050509 /nfs/dbraw/zinc/05/05/09/335050509.db2.gz DSKWZNCVDCWCNS-HIFPTAJRSA-N 1 2 274.368 2.034 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CCC(C#N)CC1 ZINC000574821335 335050510 /nfs/dbraw/zinc/05/05/10/335050510.db2.gz DSKWZNCVDCWCNS-HIFPTAJRSA-N 1 2 274.368 2.034 20 30 CEEDLO Cn1cc(C[NH2+]Cc2noc3c2CCCC3)cc1C#N ZINC000288510773 197099651 /nfs/dbraw/zinc/09/96/51/197099651.db2.gz SXGGQQJDYRIEAC-UHFFFAOYSA-N 1 2 270.336 2.053 20 30 CEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC ZINC000281310470 195192493 /nfs/dbraw/zinc/19/24/93/195192493.db2.gz KMXRRXUSSUHZLT-GFCCVEGCSA-N 1 2 290.363 2.340 20 30 CEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC ZINC000281310470 195192494 /nfs/dbraw/zinc/19/24/94/195192494.db2.gz KMXRRXUSSUHZLT-GFCCVEGCSA-N 1 2 290.363 2.340 20 30 CEEDLO NC(=[NH+]OCC[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000189259744 262169860 /nfs/dbraw/zinc/16/98/60/262169860.db2.gz LRFTUUYHPUIMAT-SNVBAGLBSA-N 1 2 270.279 2.171 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)OCC ZINC000363330918 260054829 /nfs/dbraw/zinc/05/48/29/260054829.db2.gz IRDSMUDEHXISRA-OAHLLOKOSA-N 1 2 291.395 2.487 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)OCC ZINC000363330918 260054832 /nfs/dbraw/zinc/05/48/32/260054832.db2.gz IRDSMUDEHXISRA-OAHLLOKOSA-N 1 2 291.395 2.487 20 30 CEEDLO CCCN(CCC)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000355437750 394454875 /nfs/dbraw/zinc/45/48/75/394454875.db2.gz VQBKQBZVVVMJFN-ZDUSSCGKSA-N 1 2 253.390 2.117 20 30 CEEDLO CCCN(CCC)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000355437750 394454878 /nfs/dbraw/zinc/45/48/78/394454878.db2.gz VQBKQBZVVVMJFN-ZDUSSCGKSA-N 1 2 253.390 2.117 20 30 CEEDLO C[C@@H]1C[N@H+](CCSc2ccccc2C#N)CCO1 ZINC000413002867 394457762 /nfs/dbraw/zinc/45/77/62/394457762.db2.gz VIFPNRKDWHVTEZ-GFCCVEGCSA-N 1 2 262.378 2.371 20 30 CEEDLO C[C@@H]1C[N@@H+](CCSc2ccccc2C#N)CCO1 ZINC000413002867 394457766 /nfs/dbraw/zinc/45/77/66/394457766.db2.gz VIFPNRKDWHVTEZ-GFCCVEGCSA-N 1 2 262.378 2.371 20 30 CEEDLO N#Cc1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000413206180 394504901 /nfs/dbraw/zinc/50/49/01/394504901.db2.gz ZCYWYPMAZHIEPD-ZDUSSCGKSA-N 1 2 284.294 2.145 20 30 CEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000328932221 394557740 /nfs/dbraw/zinc/55/77/40/394557740.db2.gz DGZQXODBDIYACO-HZSPNIEDSA-N 1 2 289.379 2.289 20 30 CEEDLO Cc1c([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cnn1C ZINC000328932889 394557849 /nfs/dbraw/zinc/55/78/49/394557849.db2.gz PJKNWZQORUWBEH-JQWIXIFHSA-N 1 2 287.367 2.205 20 30 CEEDLO C[C@@H]1OCC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329101147 394560397 /nfs/dbraw/zinc/56/03/97/394560397.db2.gz DZMPTWMEQBEGFU-JQWIXIFHSA-N 1 2 259.309 2.216 20 30 CEEDLO NC(=O)C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000329453671 394565074 /nfs/dbraw/zinc/56/50/74/394565074.db2.gz NQWDWJWVYDUYTN-NSHDSACASA-N 1 2 290.367 2.498 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329569473 394573732 /nfs/dbraw/zinc/57/37/32/394573732.db2.gz IJDCNNYJJAOKGG-YWPYICTPSA-N 1 2 290.367 2.187 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329569473 394573736 /nfs/dbraw/zinc/57/37/36/394573736.db2.gz IJDCNNYJJAOKGG-YWPYICTPSA-N 1 2 290.367 2.187 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000329596549 394575723 /nfs/dbraw/zinc/57/57/23/394575723.db2.gz VVLREHSLMPQAFA-YRGRVCCFSA-N 1 2 276.336 2.338 20 30 CEEDLO Cn1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C2CC2)n1 ZINC000329602093 394576771 /nfs/dbraw/zinc/57/67/71/394576771.db2.gz FOIHURZKYAJEIL-LLVKDONJSA-N 1 2 285.351 2.345 20 30 CEEDLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000048707255 394523296 /nfs/dbraw/zinc/52/32/96/394523296.db2.gz HBBFRDIGDAOWGH-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000048707255 394523300 /nfs/dbraw/zinc/52/33/00/394523300.db2.gz HBBFRDIGDAOWGH-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)C1CCC(=O)CC1 ZINC000329881415 394591022 /nfs/dbraw/zinc/59/10/22/394591022.db2.gz OMWCLRZEOMAGOO-UHFFFAOYSA-N 1 2 275.352 2.363 20 30 CEEDLO N#Cc1csc(C[N@@H+](CCO)Cc2ccccc2)n1 ZINC000356057753 394542691 /nfs/dbraw/zinc/54/26/91/394542691.db2.gz OHUIVBHSLJTATJ-UHFFFAOYSA-N 1 2 273.361 2.009 20 30 CEEDLO N#Cc1csc(C[N@H+](CCO)Cc2ccccc2)n1 ZINC000356057753 394542694 /nfs/dbraw/zinc/54/26/94/394542694.db2.gz OHUIVBHSLJTATJ-UHFFFAOYSA-N 1 2 273.361 2.009 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000356061932 394543146 /nfs/dbraw/zinc/54/31/46/394543146.db2.gz UKESNPVNAHFOBK-GFCCVEGCSA-N 1 2 297.280 2.027 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000356061932 394543148 /nfs/dbraw/zinc/54/31/48/394543148.db2.gz UKESNPVNAHFOBK-GFCCVEGCSA-N 1 2 297.280 2.027 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000266890219 394670640 /nfs/dbraw/zinc/67/06/40/394670640.db2.gz CRUDBADFBVKQAF-LBPRGKRZSA-N 1 2 291.420 2.257 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000266890219 394670642 /nfs/dbraw/zinc/67/06/42/394670642.db2.gz CRUDBADFBVKQAF-LBPRGKRZSA-N 1 2 291.420 2.257 20 30 CEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000330269268 394600540 /nfs/dbraw/zinc/60/05/40/394600540.db2.gz JEVMEXFIEPFQGZ-CYBMUJFWSA-N 1 2 282.347 2.175 20 30 CEEDLO CSC[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330387231 394603484 /nfs/dbraw/zinc/60/34/84/394603484.db2.gz BOWJAVGEROLAJC-NWDGAFQWSA-N 1 2 296.440 2.324 20 30 CEEDLO CC(C)c1ccoc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330463631 394613039 /nfs/dbraw/zinc/61/30/39/394613039.db2.gz CTDMEGPPOFXOLY-LBPRGKRZSA-N 1 2 280.368 2.428 20 30 CEEDLO CC(C)c1ccoc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330463631 394613041 /nfs/dbraw/zinc/61/30/41/394613041.db2.gz CTDMEGPPOFXOLY-LBPRGKRZSA-N 1 2 280.368 2.428 20 30 CEEDLO CCc1nc(C)c(C(=O)NCc2[nH+]ccn2C)s1 ZINC000330553976 394618486 /nfs/dbraw/zinc/61/84/86/394618486.db2.gz YIVWCDBDVLZMBB-UHFFFAOYSA-N 1 2 264.354 2.252 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCSCC1 ZINC000089981770 394652711 /nfs/dbraw/zinc/65/27/11/394652711.db2.gz UJNVYZARYOSMEU-CQSZACIVSA-N 1 2 290.388 2.211 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCSCC1 ZINC000089981770 394652714 /nfs/dbraw/zinc/65/27/14/394652714.db2.gz UJNVYZARYOSMEU-CQSZACIVSA-N 1 2 290.388 2.211 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(C)ccc1C ZINC000112335847 394743376 /nfs/dbraw/zinc/74/33/76/394743376.db2.gz PGCDZQGZRWOSSF-UHFFFAOYSA-N 1 2 277.368 2.007 20 30 CEEDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(C#N)c(F)c1 ZINC000271908028 394766552 /nfs/dbraw/zinc/76/65/52/394766552.db2.gz CNVGLFUTKPVAOG-JTQLQIEISA-N 1 2 285.326 2.086 20 30 CEEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000361055375 394813687 /nfs/dbraw/zinc/81/36/87/394813687.db2.gz DUJYWBKZRZOEPK-CQSZACIVSA-N 1 2 296.374 2.219 20 30 CEEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000361055375 394813691 /nfs/dbraw/zinc/81/36/91/394813691.db2.gz DUJYWBKZRZOEPK-CQSZACIVSA-N 1 2 296.374 2.219 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)CCC1 ZINC000336192292 394833142 /nfs/dbraw/zinc/83/31/42/394833142.db2.gz CHAGFYFVMOEIEG-LLVKDONJSA-N 1 2 262.275 2.069 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)CCC1 ZINC000336192292 394833144 /nfs/dbraw/zinc/83/31/44/394833144.db2.gz CHAGFYFVMOEIEG-LLVKDONJSA-N 1 2 262.275 2.069 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336277063 394839211 /nfs/dbraw/zinc/83/92/11/394839211.db2.gz QKYSLNLUYNAXPR-CHWSQXEVSA-N 1 2 259.353 2.013 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366516988 394947082 /nfs/dbraw/zinc/94/70/82/394947082.db2.gz GBMYZGDTVUJOLI-CVEARBPZSA-N 1 2 271.364 2.010 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000366516988 394947083 /nfs/dbraw/zinc/94/70/83/394947083.db2.gz GBMYZGDTVUJOLI-CVEARBPZSA-N 1 2 271.364 2.010 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1OC ZINC000366514283 394947104 /nfs/dbraw/zinc/94/71/04/394947104.db2.gz CTPMIYHBKPUFPN-DZGCQCFKSA-N 1 2 275.348 2.233 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1OC ZINC000366514283 394947106 /nfs/dbraw/zinc/94/71/06/394947106.db2.gz CTPMIYHBKPUFPN-DZGCQCFKSA-N 1 2 275.348 2.233 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000339762249 394970755 /nfs/dbraw/zinc/97/07/55/394970755.db2.gz YOCDBTGXPTWKBO-LBPRGKRZSA-N 1 2 262.328 2.416 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000339762249 394970757 /nfs/dbraw/zinc/97/07/57/394970757.db2.gz YOCDBTGXPTWKBO-LBPRGKRZSA-N 1 2 262.328 2.416 20 30 CEEDLO N#Cc1cccc(C2(NC(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC000285870718 394976056 /nfs/dbraw/zinc/97/60/56/394976056.db2.gz BLXMYWUEDPGPPH-UHFFFAOYSA-N 1 2 280.331 2.019 20 30 CEEDLO COCCNc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425232781 395053422 /nfs/dbraw/zinc/05/34/22/395053422.db2.gz XGOUDVVDVJEMHU-UHFFFAOYSA-N 1 2 296.374 2.354 20 30 CEEDLO COc1ccc2c(c1)OC[C@H](Nc1cc(C)[nH+]cc1C#N)C2 ZINC000425248021 395054781 /nfs/dbraw/zinc/05/47/81/395054781.db2.gz QAELINSRFKAURD-CQSZACIVSA-N 1 2 295.342 2.108 20 30 CEEDLO C=CCSCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289111249 395070609 /nfs/dbraw/zinc/07/06/09/395070609.db2.gz CUFQANLFYTYYJO-ZDUSSCGKSA-N 1 2 274.393 2.403 20 30 CEEDLO C#CC[N@@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000289494639 395078716 /nfs/dbraw/zinc/07/87/16/395078716.db2.gz SXNNCUIACKVQQQ-UHFFFAOYSA-N 1 2 251.713 2.176 20 30 CEEDLO C#CC[N@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000289494639 395078720 /nfs/dbraw/zinc/07/87/20/395078720.db2.gz SXNNCUIACKVQQQ-UHFFFAOYSA-N 1 2 251.713 2.176 20 30 CEEDLO N#CC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000345983038 395084545 /nfs/dbraw/zinc/08/45/45/395084545.db2.gz XBAOXFXDUNSNNN-UHFFFAOYSA-N 1 2 280.331 2.182 20 30 CEEDLO COCC1(C#N)CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000343147749 395032603 /nfs/dbraw/zinc/03/26/03/395032603.db2.gz JAIXVKRZDJUQNY-UHFFFAOYSA-N 1 2 274.368 2.357 20 30 CEEDLO N#CC1(C[N@@H+](CCC2CCCCC2)CC(N)=O)CC1 ZINC000343312332 395035795 /nfs/dbraw/zinc/03/57/95/395035795.db2.gz AKWRRXLMDKWSIF-UHFFFAOYSA-N 1 2 263.385 2.048 20 30 CEEDLO N#CC1(C[N@H+](CCC2CCCCC2)CC(N)=O)CC1 ZINC000343312332 395035798 /nfs/dbraw/zinc/03/57/98/395035798.db2.gz AKWRRXLMDKWSIF-UHFFFAOYSA-N 1 2 263.385 2.048 20 30 CEEDLO C#CCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000372234553 395037334 /nfs/dbraw/zinc/03/73/34/395037334.db2.gz WQTFEHWWMJZERJ-AWEZNQCLSA-N 1 2 251.276 2.361 20 30 CEEDLO C#CCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000372234553 395037339 /nfs/dbraw/zinc/03/73/39/395037339.db2.gz WQTFEHWWMJZERJ-AWEZNQCLSA-N 1 2 251.276 2.361 20 30 CEEDLO C=C(CNC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000287322744 395037997 /nfs/dbraw/zinc/03/79/97/395037997.db2.gz OVTOGPGRTOKVAL-UHFFFAOYSA-N 1 2 284.363 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000376013735 395107087 /nfs/dbraw/zinc/10/70/87/395107087.db2.gz JVZZRBONTPZYQR-STQMWFEESA-N 1 2 259.777 2.399 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000376013735 395107088 /nfs/dbraw/zinc/10/70/88/395107088.db2.gz JVZZRBONTPZYQR-STQMWFEESA-N 1 2 259.777 2.399 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000377582521 395140255 /nfs/dbraw/zinc/14/02/55/395140255.db2.gz NJWAVYIHDJOHKA-KRWDZBQOSA-N 1 2 291.354 2.143 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000377582521 395140258 /nfs/dbraw/zinc/14/02/58/395140258.db2.gz NJWAVYIHDJOHKA-KRWDZBQOSA-N 1 2 291.354 2.143 20 30 CEEDLO CCOC(=O)[C@H](C)C/[NH+]=C/c1cccc(OC)c1O ZINC000175900080 395135054 /nfs/dbraw/zinc/13/50/54/395135054.db2.gz CHORHCVIOAMLOY-KXUVPBGPSA-N 1 2 265.309 2.019 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(CC#N)c1 ZINC000178089043 395160353 /nfs/dbraw/zinc/16/03/53/395160353.db2.gz ICBVLDNARNUSNU-UHFFFAOYSA-N 1 2 282.347 2.111 20 30 CEEDLO C=CCN(CCC#N)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000430101743 395162919 /nfs/dbraw/zinc/16/29/19/395162919.db2.gz NXUMBPRITDSIKU-UHFFFAOYSA-N 1 2 265.320 2.108 20 30 CEEDLO Cc1cnn([C@H]2CCN(c3cc(C)[nH+]cc3C#N)C2)c1 ZINC000515298819 395174749 /nfs/dbraw/zinc/17/47/49/395174749.db2.gz NZDBPGSUVYEZTB-AWEZNQCLSA-N 1 2 267.336 2.218 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000293285471 395225718 /nfs/dbraw/zinc/22/57/18/395225718.db2.gz VQEYJLVDSJQKIW-LBPRGKRZSA-N 1 2 278.783 2.472 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000293285471 395225725 /nfs/dbraw/zinc/22/57/25/395225725.db2.gz VQEYJLVDSJQKIW-LBPRGKRZSA-N 1 2 278.783 2.472 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1cnn(CC(F)F)c1)C1CC1 ZINC000351731294 395232483 /nfs/dbraw/zinc/23/24/83/395232483.db2.gz UZRUNBGNZMOBNA-JTQLQIEISA-N 1 2 268.311 2.272 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1cnn(CC(F)F)c1)C1CC1 ZINC000351731294 395232484 /nfs/dbraw/zinc/23/24/84/395232484.db2.gz UZRUNBGNZMOBNA-JTQLQIEISA-N 1 2 268.311 2.272 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000293601871 395243330 /nfs/dbraw/zinc/24/33/30/395243330.db2.gz VCADYXWMVNMCCA-UHFFFAOYSA-N 1 2 294.420 2.017 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)nn1C ZINC000418053474 395186650 /nfs/dbraw/zinc/18/66/50/395186650.db2.gz CDFLTAPKFSQFRH-UHFFFAOYSA-N 1 2 289.379 2.392 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)nn1C ZINC000418053474 395186654 /nfs/dbraw/zinc/18/66/54/395186654.db2.gz CDFLTAPKFSQFRH-UHFFFAOYSA-N 1 2 289.379 2.392 20 30 CEEDLO C=CCOCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000293776004 395250678 /nfs/dbraw/zinc/25/06/78/395250678.db2.gz LKKXDCTXDSSISN-AWEZNQCLSA-N 1 2 263.337 2.035 20 30 CEEDLO C=CCOCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000293776004 395250681 /nfs/dbraw/zinc/25/06/81/395250681.db2.gz LKKXDCTXDSSISN-AWEZNQCLSA-N 1 2 263.337 2.035 20 30 CEEDLO C[C@@H](CCC#N)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000351179141 395193384 /nfs/dbraw/zinc/19/33/84/395193384.db2.gz DDYGIPOMGGASPK-GJZGRUSLSA-N 1 2 272.396 2.452 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000293167074 395222259 /nfs/dbraw/zinc/22/22/59/395222259.db2.gz OZEBBLHUKUQJAH-QGZVFWFLSA-N 1 2 270.376 2.209 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000293167074 395222264 /nfs/dbraw/zinc/22/22/64/395222264.db2.gz OZEBBLHUKUQJAH-QGZVFWFLSA-N 1 2 270.376 2.209 20 30 CEEDLO Cc1cc(NC[C@]2(C)COc3ccccc3O2)c(C#N)c[nH+]1 ZINC000528079930 395284109 /nfs/dbraw/zinc/28/41/09/395284109.db2.gz RIDDFRMICLLZOV-QGZVFWFLSA-N 1 2 295.342 2.326 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N ZINC000528194404 395286164 /nfs/dbraw/zinc/28/61/64/395286164.db2.gz ANBGBYMYOQVTII-GFCCVEGCSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C(F)(F)F)cc1C#N ZINC000528194404 395286167 /nfs/dbraw/zinc/28/61/67/395286167.db2.gz ANBGBYMYOQVTII-GFCCVEGCSA-N 1 2 299.296 2.320 20 30 CEEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352462291 395257668 /nfs/dbraw/zinc/25/76/68/395257668.db2.gz BVRAAPTZJFQZKN-UONOGXRCSA-N 1 2 295.402 2.351 20 30 CEEDLO CCc1noc(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000352481328 395258598 /nfs/dbraw/zinc/25/85/98/395258598.db2.gz FIIFEJAGTCFOKK-UHFFFAOYSA-N 1 2 251.305 2.373 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352483748 395258616 /nfs/dbraw/zinc/25/86/16/395258616.db2.gz IYPDPEPGYMXNPX-NSHDSACASA-N 1 2 293.317 2.480 20 30 CEEDLO COc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)ccn1 ZINC000352861849 395272862 /nfs/dbraw/zinc/27/28/62/395272862.db2.gz KNHMUQTYXMIOOQ-SECBINFHSA-N 1 2 274.349 2.269 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000192223539 395376795 /nfs/dbraw/zinc/37/67/95/395376795.db2.gz YVUAATHGGGFQCA-GFCCVEGCSA-N 1 2 267.332 2.127 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000192223539 395376798 /nfs/dbraw/zinc/37/67/98/395376798.db2.gz YVUAATHGGGFQCA-GFCCVEGCSA-N 1 2 267.332 2.127 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000192225714 395376924 /nfs/dbraw/zinc/37/69/24/395376924.db2.gz LOGWGROBOXROSY-NSHDSACASA-N 1 2 280.318 2.049 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000192225714 395376928 /nfs/dbraw/zinc/37/69/28/395376928.db2.gz LOGWGROBOXROSY-NSHDSACASA-N 1 2 280.318 2.049 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1cccc(C#N)c1 ZINC000531153583 395458307 /nfs/dbraw/zinc/45/83/07/395458307.db2.gz VMUYPXFPFYPHLQ-UHFFFAOYSA-N 1 2 296.374 2.270 20 30 CEEDLO COC(=O)c1cc(C[NH+]2CCC(C#N)CC2)oc1C ZINC000195316659 395464672 /nfs/dbraw/zinc/46/46/72/395464672.db2.gz SPORBSQOUUQBQD-UHFFFAOYSA-N 1 2 262.309 2.110 20 30 CEEDLO Cc1oncc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000445798398 395469930 /nfs/dbraw/zinc/46/99/30/395469930.db2.gz HKRXJWAGNGGDFB-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO Cc1oncc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000445798398 395469933 /nfs/dbraw/zinc/46/99/33/395469933.db2.gz HKRXJWAGNGGDFB-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO CO[C@@H]1C[C@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCC2 ZINC000449632141 395558317 /nfs/dbraw/zinc/55/83/17/395558317.db2.gz MGIFZFMYCFVQBZ-NWDGAFQWSA-N 1 2 277.393 2.404 20 30 CEEDLO CO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(C#N)cs2)C12CCC2 ZINC000449632141 395558319 /nfs/dbraw/zinc/55/83/19/395558319.db2.gz MGIFZFMYCFVQBZ-NWDGAFQWSA-N 1 2 277.393 2.404 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cnn(C)c1C ZINC000568717532 395567785 /nfs/dbraw/zinc/56/77/85/395567785.db2.gz DRHCXNSNBSEDAC-UHFFFAOYSA-N 1 2 284.363 2.241 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000568717532 395567788 /nfs/dbraw/zinc/56/77/88/395567788.db2.gz DRHCXNSNBSEDAC-UHFFFAOYSA-N 1 2 284.363 2.241 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cccc(Cl)c1 ZINC000569850276 395580704 /nfs/dbraw/zinc/58/07/04/395580704.db2.gz ALWRFZBTRGWLDM-HNNXBMFYSA-N 1 2 293.798 2.233 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000574582110 395633107 /nfs/dbraw/zinc/63/31/07/395633107.db2.gz SMKIKMLHHPWIDC-CQSZACIVSA-N 1 2 287.363 2.259 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000574582110 395633109 /nfs/dbraw/zinc/63/31/09/395633109.db2.gz SMKIKMLHHPWIDC-CQSZACIVSA-N 1 2 287.363 2.259 20 30 CEEDLO CC(=O)c1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000647955914 395784097 /nfs/dbraw/zinc/78/40/97/395784097.db2.gz NGFKPJJTCYMKJK-UHFFFAOYSA-N 1 2 269.304 2.381 20 30 CEEDLO CC(=O)c1cc(C[N@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000647955914 395784099 /nfs/dbraw/zinc/78/40/99/395784099.db2.gz NGFKPJJTCYMKJK-UHFFFAOYSA-N 1 2 269.304 2.381 20 30 CEEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(-c2ccncc2)[nH+]1 ZINC000425271715 400574405 /nfs/dbraw/zinc/57/44/05/400574405.db2.gz JFYQIBHEFACGOX-GXTWGEPZSA-N 1 2 279.347 2.373 20 30 CEEDLO C=CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651305186 401311185 /nfs/dbraw/zinc/31/11/85/401311185.db2.gz OGRVCIZZWSRGCG-UHFFFAOYSA-N 1 2 273.380 2.187 20 30 CEEDLO Cc1cc(C#N)cc(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000366962051 156109691 /nfs/dbraw/zinc/10/96/91/156109691.db2.gz KVLPEEIDRUYKEA-UHFFFAOYSA-N 1 2 289.342 2.481 20 30 CEEDLO N#Cc1ccnc(NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000368675875 156387241 /nfs/dbraw/zinc/38/72/41/156387241.db2.gz OTQBULHTKPGZQX-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375326758 157080347 /nfs/dbraw/zinc/08/03/47/157080347.db2.gz GDOAGXRYZQBPLT-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375326758 157080350 /nfs/dbraw/zinc/08/03/50/157080350.db2.gz GDOAGXRYZQBPLT-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)s1 ZINC000375467299 157103282 /nfs/dbraw/zinc/10/32/82/157103282.db2.gz HZIRQLIISPMJQM-ZIAGYGMSSA-N 1 2 290.388 2.190 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)s1 ZINC000375467299 157103286 /nfs/dbraw/zinc/10/32/86/157103286.db2.gz HZIRQLIISPMJQM-ZIAGYGMSSA-N 1 2 290.388 2.190 20 30 CEEDLO C[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329739847 287252303 /nfs/dbraw/zinc/25/23/03/287252303.db2.gz NSGXOLSKNNUWSL-VXGBXAGGSA-N 1 2 276.384 2.303 20 30 CEEDLO C[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329739847 287252305 /nfs/dbraw/zinc/25/23/05/287252305.db2.gz NSGXOLSKNNUWSL-VXGBXAGGSA-N 1 2 276.384 2.303 20 30 CEEDLO C=CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660300198 414759934 /nfs/dbraw/zinc/75/99/34/414759934.db2.gz PFOCCLQURFOXKM-UHFFFAOYSA-N 1 2 274.368 2.057 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)nc(C)c2)nn1 ZINC000657495333 414972927 /nfs/dbraw/zinc/97/29/27/414972927.db2.gz VHXOSIKBRHMXNG-UHFFFAOYSA-N 1 2 271.368 2.156 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)nn1 ZINC000653498243 415014307 /nfs/dbraw/zinc/01/43/07/415014307.db2.gz NRRQCHJHHZMGON-CQSZACIVSA-N 1 2 287.367 2.488 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)nn1 ZINC000653498243 415014312 /nfs/dbraw/zinc/01/43/12/415014312.db2.gz NRRQCHJHHZMGON-CQSZACIVSA-N 1 2 287.367 2.488 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)nn1 ZINC000657468887 414954104 /nfs/dbraw/zinc/95/41/04/414954104.db2.gz OYVUJZGWSORJJU-LRDDRELGSA-N 1 2 284.363 2.466 20 30 CEEDLO C=C[C@H](C)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654883914 415050507 /nfs/dbraw/zinc/05/05/07/415050507.db2.gz SHHNBMWUSHTWJK-IUCAKERBSA-N 1 2 275.274 2.147 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)nn1 ZINC000653744888 415091905 /nfs/dbraw/zinc/09/19/05/415091905.db2.gz WGIJCKYTLHHTRY-CQSZACIVSA-N 1 2 278.425 2.182 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCSC[C@@H]2C2CC2)nn1 ZINC000653744888 415091908 /nfs/dbraw/zinc/09/19/08/415091908.db2.gz WGIJCKYTLHHTRY-CQSZACIVSA-N 1 2 278.425 2.182 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655247040 415156390 /nfs/dbraw/zinc/15/63/90/415156390.db2.gz XIYFTLNIROECBR-CYBMUJFWSA-N 1 2 261.369 2.308 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC)C1 ZINC000661262710 415167380 /nfs/dbraw/zinc/16/73/80/415167380.db2.gz UIIJOWNXUBPGHW-CYBMUJFWSA-N 1 2 276.384 2.401 20 30 CEEDLO O[C@]12C[C@H]1C[N@H+](CC#Cc1ccccc1Cl)CC2 ZINC000661722828 415428529 /nfs/dbraw/zinc/42/85/29/415428529.db2.gz MFVBWYYEDWNQGN-DZGCQCFKSA-N 1 2 261.752 2.148 20 30 CEEDLO O[C@]12C[C@H]1C[N@@H+](CC#Cc1ccccc1Cl)CC2 ZINC000661722828 415428533 /nfs/dbraw/zinc/42/85/33/415428533.db2.gz MFVBWYYEDWNQGN-DZGCQCFKSA-N 1 2 261.752 2.148 20 30 CEEDLO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)C1 ZINC000655795797 415473070 /nfs/dbraw/zinc/47/30/70/415473070.db2.gz BTAZFHMZJHDXNI-JHJVBQTASA-N 1 2 276.384 2.491 20 30 CEEDLO C=CCC[C@@H](CC)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655796882 415475305 /nfs/dbraw/zinc/47/53/05/415475305.db2.gz JZWWXZKSSNCBOO-NEPJUHHUSA-N 1 2 264.373 2.491 20 30 CEEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330022841 228018549 /nfs/dbraw/zinc/01/85/49/228018549.db2.gz HSQFSALJAGOYDW-STQMWFEESA-N 1 2 296.411 2.059 20 30 CEEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330022841 228018552 /nfs/dbraw/zinc/01/85/52/228018552.db2.gz HSQFSALJAGOYDW-STQMWFEESA-N 1 2 296.411 2.059 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331793538 228128469 /nfs/dbraw/zinc/12/84/69/228128469.db2.gz QJFVTKXOTOSRFK-GXSJLCMTSA-N 1 2 285.307 2.253 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000332200963 228152211 /nfs/dbraw/zinc/15/22/11/228152211.db2.gz ROFRGOOELMNFGF-PWSUYJOCSA-N 1 2 285.376 2.382 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)CCC1 ZINC000336192293 228209420 /nfs/dbraw/zinc/20/94/20/228209420.db2.gz CHAGFYFVMOEIEG-NSHDSACASA-N 1 2 262.275 2.069 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)CCC1 ZINC000336192293 228209421 /nfs/dbraw/zinc/20/94/21/228209421.db2.gz CHAGFYFVMOEIEG-NSHDSACASA-N 1 2 262.275 2.069 20 30 CEEDLO C=CCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H](C)COC ZINC000666132358 419551978 /nfs/dbraw/zinc/55/19/78/419551978.db2.gz UXQTZRFAEVBRJO-GFCCVEGCSA-N 1 2 288.351 2.389 20 30 CEEDLO C=C[C@@H](O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666456832 419675333 /nfs/dbraw/zinc/67/53/33/419675333.db2.gz XLVVQGOSAGEZIU-OAHLLOKOSA-N 1 2 297.358 2.372 20 30 CEEDLO C=CCC1(NC(=O)Nc2cc[nH+]c(C)c2)CCOCC1 ZINC000666490240 419689673 /nfs/dbraw/zinc/68/96/73/419689673.db2.gz NMCVYXMUXZXFNB-UHFFFAOYSA-N 1 2 275.352 2.059 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCNC1=O ZINC000297751717 260133744 /nfs/dbraw/zinc/13/37/44/260133744.db2.gz DVOSBVKPQJYZRS-SNVBAGLBSA-N 1 2 270.785 2.278 20 30 CEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCNC1=O ZINC000297751717 260133746 /nfs/dbraw/zinc/13/37/46/260133746.db2.gz DVOSBVKPQJYZRS-SNVBAGLBSA-N 1 2 270.785 2.278 20 30 CEEDLO CC#CCN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000297775314 260133950 /nfs/dbraw/zinc/13/39/50/260133950.db2.gz LGXCQFXAESEPDM-UHFFFAOYSA-N 1 2 284.363 2.009 20 30 CEEDLO C#CCN(CC)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490712953 261190945 /nfs/dbraw/zinc/19/09/45/261190945.db2.gz HIEHIBSHIULCEW-LBPRGKRZSA-N 1 2 273.380 2.120 20 30 CEEDLO C#CCN(CC)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490712953 261190946 /nfs/dbraw/zinc/19/09/46/261190946.db2.gz HIEHIBSHIULCEW-LBPRGKRZSA-N 1 2 273.380 2.120 20 30 CEEDLO C#C[C@@H](CC)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490717099 261192095 /nfs/dbraw/zinc/19/20/95/261192095.db2.gz ARXOLLWJTNZHMX-NEPJUHHUSA-N 1 2 273.380 2.166 20 30 CEEDLO C#C[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490717099 261192096 /nfs/dbraw/zinc/19/20/96/261192096.db2.gz ARXOLLWJTNZHMX-NEPJUHHUSA-N 1 2 273.380 2.166 20 30 CEEDLO 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N#Cc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)nc1 ZINC000573383238 314154990 /nfs/dbraw/zinc/15/49/90/314154990.db2.gz NEMSHWQLVSJAFO-ZDUSSCGKSA-N 1 2 299.296 2.497 20 30 CEEDLO Cc1cc(NC[C@]2(C)CCO[C@@H]2C2CC2)c(C#N)c[nH+]1 ZINC000577723694 314406292 /nfs/dbraw/zinc/40/62/92/314406292.db2.gz HEESOMDWMCJELT-CVEARBPZSA-N 1 2 271.364 2.301 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000366571200 328110130 /nfs/dbraw/zinc/11/01/30/328110130.db2.gz HZMAINMOFFEEFS-UONOGXRCSA-N 1 2 286.375 2.184 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000581355732 322389249 /nfs/dbraw/zinc/38/92/49/322389249.db2.gz QPUXHWWQVXDXSI-JTQLQIEISA-N 1 2 297.261 2.280 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000581355732 322389253 /nfs/dbraw/zinc/38/92/53/322389253.db2.gz QPUXHWWQVXDXSI-JTQLQIEISA-N 1 2 297.261 2.280 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000363399991 327087546 /nfs/dbraw/zinc/08/75/46/327087546.db2.gz 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C=C(C)CN(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455465347 331170132 /nfs/dbraw/zinc/17/01/32/331170132.db2.gz LACKFWABKGXYFX-LLVKDONJSA-N 1 2 250.346 2.182 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456352904 331190591 /nfs/dbraw/zinc/19/05/91/331190591.db2.gz MBNRHILZXVABTQ-DOMZBBRYSA-N 1 2 279.384 2.309 20 30 CEEDLO C[NH+](C)Cc1csc(NC(=O)CC(C)(C)C#N)n1 ZINC000457315474 331218800 /nfs/dbraw/zinc/21/88/00/331218800.db2.gz OINFUCYETOAAHE-UHFFFAOYSA-N 1 2 266.370 2.083 20 30 CEEDLO Cc1ccn2cc(CNC(=O)N(C)CC(C)(C)C#N)[nH+]c2c1 ZINC000457933634 331237807 /nfs/dbraw/zinc/23/78/07/331237807.db2.gz CPNHNGHVUTWXJA-UHFFFAOYSA-N 1 2 299.378 2.334 20 30 CEEDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459485788 331284379 /nfs/dbraw/zinc/28/43/79/331284379.db2.gz UERODJSFHNUPLZ-GXFFZTMASA-N 1 2 275.308 2.385 20 30 CEEDLO COC(=O)c1cccc2c1CC[N@H+](C[C@@H](C#N)CCC#N)C2 ZINC000459544506 331286900 /nfs/dbraw/zinc/28/69/00/331286900.db2.gz ZZSGYFWOAHBHSW-CYBMUJFWSA-N 1 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/nfs/dbraw/zinc/30/43/00/332304300.db2.gz ZAOYUXRHVNFBDG-AWEZNQCLSA-N 1 2 267.332 2.404 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000491746081 332323808 /nfs/dbraw/zinc/32/38/08/332323808.db2.gz PZVQJMXXAALVMO-JTQLQIEISA-N 1 2 287.331 2.136 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000491746081 332323809 /nfs/dbraw/zinc/32/38/09/332323809.db2.gz PZVQJMXXAALVMO-JTQLQIEISA-N 1 2 287.331 2.136 20 30 CEEDLO C#C[C@H](CC)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491814603 332366138 /nfs/dbraw/zinc/36/61/38/332366138.db2.gz SIMSCBPMTSNBEU-CABCVRRESA-N 1 2 281.359 2.460 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491818124 332368242 /nfs/dbraw/zinc/36/82/42/332368242.db2.gz XJNDTJGKVCLVOF-INIZCTEOSA-N 1 2 295.386 2.392 20 30 CEEDLO C#CC[N@@H+](CCCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491819640 332369305 /nfs/dbraw/zinc/36/93/05/332369305.db2.gz UVXOSOOAHYWMCY-MRXNPFEDSA-N 1 2 297.464 2.469 20 30 CEEDLO C#CC[N@H+](CCCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491819640 332369306 /nfs/dbraw/zinc/36/93/06/332369306.db2.gz UVXOSOOAHYWMCY-MRXNPFEDSA-N 1 2 297.464 2.469 20 30 CEEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000492856281 332416244 /nfs/dbraw/zinc/41/62/44/332416244.db2.gz BNMFHRQDWXRJIX-CFHLNLSMSA-N 1 2 286.722 2.457 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493061014 332424843 /nfs/dbraw/zinc/42/48/43/332424843.db2.gz NUPRKAIGLCHMKE-NJJSNRSVSA-N 1 2 289.379 2.014 20 30 CEEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)OC)CC2)c1 ZINC000494347643 332471009 /nfs/dbraw/zinc/47/10/09/332471009.db2.gz FJUKEUDKFUPJQK-UHFFFAOYSA-N 1 2 290.363 2.135 20 30 CEEDLO Cc1cccc2nc(C[NH2+]C[C@H](C#N)CCC#N)cn21 ZINC000517359351 333097857 /nfs/dbraw/zinc/09/78/57/333097857.db2.gz AHPRAFZPQFAOQT-ZDUSSCGKSA-N 1 2 267.336 2.176 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000192235057 333233524 /nfs/dbraw/zinc/23/35/24/333233524.db2.gz RFARTHRAUHIOKR-CYBMUJFWSA-N 1 2 276.405 2.149 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000192235057 333233525 /nfs/dbraw/zinc/23/35/25/333233525.db2.gz RFARTHRAUHIOKR-CYBMUJFWSA-N 1 2 276.405 2.149 20 30 CEEDLO CC(C)NC(=O)C[N@H+](C)CC#Cc1ccccc1Cl ZINC000134971584 334110181 /nfs/dbraw/zinc/11/01/81/334110181.db2.gz BVQTVDPWSIFFAD-UHFFFAOYSA-N 1 2 278.783 2.148 20 30 CEEDLO CC(C)NC(=O)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000134971584 334110183 /nfs/dbraw/zinc/11/01/83/334110183.db2.gz BVQTVDPWSIFFAD-UHFFFAOYSA-N 1 2 278.783 2.148 20 30 CEEDLO Cc1cccn2cc(CC(=O)N(CCC#N)C(C)C)[nH+]c12 ZINC000549778701 334204785 /nfs/dbraw/zinc/20/47/85/334204785.db2.gz PCPPGNYSGCROKN-UHFFFAOYSA-N 1 2 284.363 2.336 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000565475807 334566330 /nfs/dbraw/zinc/56/63/30/334566330.db2.gz FLTTUPKRGNWMHE-CQSZACIVSA-N 1 2 279.347 2.405 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000573086136 334906714 /nfs/dbraw/zinc/90/67/14/334906714.db2.gz 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C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000969580775 613371465 /nfs/dbraw/zinc/37/14/65/613371465.db2.gz XTUFHYYNAXPLEN-MIMYLULJSA-N 1 2 292.757 2.077 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC2(F)F)C1 ZINC000969936463 613371628 /nfs/dbraw/zinc/37/16/28/613371628.db2.gz QBUKXMLXPIVUER-MWLCHTKSSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc(C)c2)C1 ZINC000970602519 613372325 /nfs/dbraw/zinc/37/23/25/613372325.db2.gz QKQPHODEYBXJIJ-LBPRGKRZSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000980605316 613373056 /nfs/dbraw/zinc/37/30/56/613373056.db2.gz PPIBYHURQDLVDX-UHFFFAOYSA-N 1 2 270.804 2.463 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC000980605316 613373057 /nfs/dbraw/zinc/37/30/57/613373057.db2.gz PPIBYHURQDLVDX-UHFFFAOYSA-N 1 2 270.804 2.463 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC000981829425 613373656 /nfs/dbraw/zinc/37/36/56/613373656.db2.gz 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ZINC001024355354 625532023 /nfs/dbraw/zinc/53/20/23/625532023.db2.gz ZIFXNCRMPQEMPP-AWEZNQCLSA-N 1 2 298.814 2.404 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1=COCCC1 ZINC001024355354 625532025 /nfs/dbraw/zinc/53/20/25/625532025.db2.gz ZIFXNCRMPQEMPP-AWEZNQCLSA-N 1 2 298.814 2.404 20 30 CEEDLO CCN1C[C@H](C[N@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000846805323 623438580 /nfs/dbraw/zinc/43/85/80/623438580.db2.gz BBTSGBCALBHIIC-LBPRGKRZSA-N 1 2 267.373 2.089 20 30 CEEDLO CCN1C[C@H](C[N@@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000846805323 623438586 /nfs/dbraw/zinc/43/85/86/623438586.db2.gz BBTSGBCALBHIIC-LBPRGKRZSA-N 1 2 267.373 2.089 20 30 CEEDLO CCn1c[nH+]cc1CNc1cccc(OCC#N)c1 ZINC000090171159 623471489 /nfs/dbraw/zinc/47/14/89/623471489.db2.gz UTJNBFCSOUBPDV-UHFFFAOYSA-N 1 2 256.309 2.417 20 30 CEEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000891622642 623836263 /nfs/dbraw/zinc/83/62/63/623836263.db2.gz ZPEKRASPTSYYLU-LBPRGKRZSA-N 1 2 293.392 2.330 20 30 CEEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000891622642 623836271 /nfs/dbraw/zinc/83/62/71/623836271.db2.gz ZPEKRASPTSYYLU-LBPRGKRZSA-N 1 2 293.392 2.330 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934510855 624550523 /nfs/dbraw/zinc/55/05/23/624550523.db2.gz DZKPLAOFMWHBOV-RISCZKNCSA-N 1 2 265.303 2.486 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000934510855 624550535 /nfs/dbraw/zinc/55/05/35/624550535.db2.gz DZKPLAOFMWHBOV-RISCZKNCSA-N 1 2 265.303 2.486 20 30 CEEDLO CN(C)c1cc(NCc2ccc(OCC#N)cc2)[nH+]cn1 ZINC000892303421 624678716 /nfs/dbraw/zinc/67/87/16/624678716.db2.gz SUYFOXNNUNXYLW-UHFFFAOYSA-N 1 2 283.335 2.057 20 30 CEEDLO CN(C)c1cc(NCc2ccc(OCC#N)cc2)nc[nH+]1 ZINC000892303421 624678720 /nfs/dbraw/zinc/67/87/20/624678720.db2.gz SUYFOXNNUNXYLW-UHFFFAOYSA-N 1 2 283.335 2.057 20 30 CEEDLO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC ZINC000934852073 624867658 /nfs/dbraw/zinc/86/76/58/624867658.db2.gz HWGQGOPZAGWZLB-CYBMUJFWSA-N 1 2 284.400 2.130 20 30 CEEDLO C=C(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC ZINC000934852073 624867673 /nfs/dbraw/zinc/86/76/73/624867673.db2.gz HWGQGOPZAGWZLB-CYBMUJFWSA-N 1 2 284.400 2.130 20 30 CEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001024617481 625719979 /nfs/dbraw/zinc/71/99/79/625719979.db2.gz HKRGHYVUHTYUKY-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001024617481 625719986 /nfs/dbraw/zinc/71/99/86/625719986.db2.gz HKRGHYVUHTYUKY-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001024617480 625720700 /nfs/dbraw/zinc/72/07/00/625720700.db2.gz HKRGHYVUHTYUKY-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001024617480 625720709 /nfs/dbraw/zinc/72/07/09/625720709.db2.gz HKRGHYVUHTYUKY-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000820639680 634484977 /nfs/dbraw/zinc/48/49/77/634484977.db2.gz GKPGADWJFCDOBR-ZDUSSCGKSA-N 1 2 274.368 2.032 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902243182 634548497 /nfs/dbraw/zinc/54/84/97/634548497.db2.gz JWABFCHULVOPLY-JSGCOSHPSA-N 1 2 274.339 2.053 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902243182 634548501 /nfs/dbraw/zinc/54/85/01/634548501.db2.gz JWABFCHULVOPLY-JSGCOSHPSA-N 1 2 274.339 2.053 20 30 CEEDLO CC[C@H](C#N)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000892579057 627286988 /nfs/dbraw/zinc/28/69/88/627286988.db2.gz SLAMQYCAQRLBLV-GFCCVEGCSA-N 1 2 256.309 2.017 20 30 CEEDLO CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(C#N)c1O ZINC000926784716 627360502 /nfs/dbraw/zinc/36/05/02/627360502.db2.gz XWTIIEJZMPYGSM-NEPJUHHUSA-N 1 2 284.306 2.321 20 30 CEEDLO CCc1cc(NCC2CCN(CC#N)CC2)nc(CC)[nH+]1 ZINC000892885569 627830243 /nfs/dbraw/zinc/83/02/43/627830243.db2.gz ZMTGNFAXCCMMBA-UHFFFAOYSA-N 1 2 287.411 2.249 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+](CC)CC(=O)OCC)cc1 ZINC000092399591 628282196 /nfs/dbraw/zinc/28/21/96/628282196.db2.gz BOEBABHQQKUTKG-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO C#CCCOc1ccc(C[N@H+](CC)CC(=O)OCC)cc1 ZINC000092399591 628282199 /nfs/dbraw/zinc/28/21/99/628282199.db2.gz BOEBABHQQKUTKG-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893349850 628457809 /nfs/dbraw/zinc/45/78/09/628457809.db2.gz BKMHWHVCYRFTPK-UHFFFAOYSA-N 1 2 272.688 2.151 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCC(=O)OC ZINC000893607059 628786634 /nfs/dbraw/zinc/78/66/34/628786634.db2.gz TZLORZHYHQKGJL-ZDUSSCGKSA-N 1 2 276.336 2.020 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)OC ZINC000878445384 629228067 /nfs/dbraw/zinc/22/80/67/629228067.db2.gz GGHIOBAMKXDUJW-WDEREUQCSA-N 1 2 255.358 2.040 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]21 ZINC000794975098 629385216 /nfs/dbraw/zinc/38/52/16/629385216.db2.gz VNNWDEWUSWYEAJ-NHAGDIPZSA-N 1 2 289.762 2.042 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]21 ZINC000794975098 629385223 /nfs/dbraw/zinc/38/52/23/629385223.db2.gz VNNWDEWUSWYEAJ-NHAGDIPZSA-N 1 2 289.762 2.042 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cc(C)ccc2NC)nn1 ZINC000902607351 634741955 /nfs/dbraw/zinc/74/19/55/634741955.db2.gz PSMHLIIAPDBICS-UHFFFAOYSA-N 1 2 271.368 2.104 20 30 CEEDLO C#Cc1cccc(C[NH2+]Cc2nnc(CC)s2)c1 ZINC000894775442 629628785 /nfs/dbraw/zinc/62/87/85/629628785.db2.gz MCPFJQTVXUOWAX-UHFFFAOYSA-N 1 2 257.362 2.372 20 30 CEEDLO CC(C[NH+]1Cc2ccccc2C1)=NOC[C@@H]1CCOC1 ZINC000792642540 629696213 /nfs/dbraw/zinc/69/62/13/629696213.db2.gz NNQNQPQEKFPOKW-CQSZACIVSA-N 1 2 274.364 2.431 20 30 CEEDLO C=CCn1nnn(C[N@H+](C2CC2)C2CCCC2)c1=S ZINC000098051431 629919970 /nfs/dbraw/zinc/91/99/70/629919970.db2.gz CQWYKAJSRBXYEN-UHFFFAOYSA-N 1 2 279.413 2.360 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C2CC2)C2CCCC2)c1=S ZINC000098051431 629919974 /nfs/dbraw/zinc/91/99/74/629919974.db2.gz CQWYKAJSRBXYEN-UHFFFAOYSA-N 1 2 279.413 2.360 20 30 CEEDLO Cc1[nH]c([C@@H]2CCCN2c2cc(C#N)nc(C)n2)[nH+]c1C ZINC000895194117 630024396 /nfs/dbraw/zinc/02/43/96/630024396.db2.gz BMASVYFCCCBPNB-ZDUSSCGKSA-N 1 2 282.351 2.338 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000895254432 630064121 /nfs/dbraw/zinc/06/41/21/630064121.db2.gz GIXXFZDWQYECRS-OAHLLOKOSA-N 1 2 271.364 2.396 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000895384425 630155612 /nfs/dbraw/zinc/15/56/12/630155612.db2.gz NLSQEROPKJFQAR-UHFFFAOYSA-N 1 2 278.421 2.401 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)C1CCOCC1 ZINC000895435866 630188574 /nfs/dbraw/zinc/18/85/74/630188574.db2.gz MZJSCPACLBSVDR-ZDUSSCGKSA-N 1 2 276.380 2.490 20 30 CEEDLO C#CCN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000895749324 630324075 /nfs/dbraw/zinc/32/40/75/630324075.db2.gz ZQXIPEIGQCJTSQ-ZDUSSCGKSA-N 1 2 296.773 2.372 20 30 CEEDLO C#CC[N@@H+](Cc1cncc(OCC)c1)C1CSC1 ZINC000895813620 630358730 /nfs/dbraw/zinc/35/87/30/630358730.db2.gz DWRYXHLXHDOPBZ-UHFFFAOYSA-N 1 2 262.378 2.031 20 30 CEEDLO C#CC[N@H+](Cc1cncc(OCC)c1)C1CSC1 ZINC000895813620 630358734 /nfs/dbraw/zinc/35/87/34/630358734.db2.gz DWRYXHLXHDOPBZ-UHFFFAOYSA-N 1 2 262.378 2.031 20 30 CEEDLO C#CC[N@@H+](Cc1c(CC)nn(C)c1CC)C1CSC1 ZINC000895814831 630359824 /nfs/dbraw/zinc/35/98/24/630359824.db2.gz ZEIFGIFWFPKYJG-UHFFFAOYSA-N 1 2 277.437 2.096 20 30 CEEDLO C#CC[N@H+](Cc1c(CC)nn(C)c1CC)C1CSC1 ZINC000895814831 630359825 /nfs/dbraw/zinc/35/98/25/630359825.db2.gz ZEIFGIFWFPKYJG-UHFFFAOYSA-N 1 2 277.437 2.096 20 30 CEEDLO C#CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC000821960551 634829836 /nfs/dbraw/zinc/82/98/36/634829836.db2.gz JDDJVYNEZHWGKS-CQSZACIVSA-N 1 2 259.353 2.095 20 30 CEEDLO CC#CC[N@@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000897166851 630968428 /nfs/dbraw/zinc/96/84/28/630968428.db2.gz DJZQANSMWSQBMC-UHFFFAOYSA-N 1 2 269.348 2.336 20 30 CEEDLO CC#CC[N@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000897166851 630968433 /nfs/dbraw/zinc/96/84/33/630968433.db2.gz DJZQANSMWSQBMC-UHFFFAOYSA-N 1 2 269.348 2.336 20 30 CEEDLO Cn1nc(C[NH2+]CC#Cc2ccccc2)cc1C1CC1 ZINC000897231533 631004365 /nfs/dbraw/zinc/00/43/65/631004365.db2.gz YNYYIFKDNLHGTK-UHFFFAOYSA-N 1 2 265.360 2.439 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000799464783 631029224 /nfs/dbraw/zinc/02/92/24/631029224.db2.gz LWKQTRGSEINQAE-LBPRGKRZSA-N 1 2 288.307 2.148 20 30 CEEDLO C#C[C@H]1CCCCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000897360514 631186316 /nfs/dbraw/zinc/18/63/16/631186316.db2.gz IPGRFKCHLABYLI-AWEZNQCLSA-N 1 2 270.380 2.459 20 30 CEEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(F)cc2)C1=O ZINC000839947248 631348629 /nfs/dbraw/zinc/34/86/29/631348629.db2.gz AEKBYLALWMYWNF-UHFFFAOYSA-N 1 2 277.343 2.139 20 30 CEEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(F)cc2)C1=O ZINC000839947248 631348633 /nfs/dbraw/zinc/34/86/33/631348633.db2.gz AEKBYLALWMYWNF-UHFFFAOYSA-N 1 2 277.343 2.139 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000801936784 631362354 /nfs/dbraw/zinc/36/23/54/631362354.db2.gz WOVFMUVQELAISM-CHWSQXEVSA-N 1 2 282.384 2.111 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000801936784 631362361 /nfs/dbraw/zinc/36/23/61/631362361.db2.gz WOVFMUVQELAISM-CHWSQXEVSA-N 1 2 282.384 2.111 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000806289914 631729694 /nfs/dbraw/zinc/72/96/94/631729694.db2.gz QBJHHMNXBVRVNG-NSHDSACASA-N 1 2 256.309 2.258 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(C)cn1 ZINC000808388228 631955332 /nfs/dbraw/zinc/95/53/32/631955332.db2.gz FAGSMUZCRVNPPY-UHFFFAOYSA-N 1 2 257.337 2.275 20 30 CEEDLO COc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cc1C#N ZINC000808399570 631957039 /nfs/dbraw/zinc/95/70/39/631957039.db2.gz PLJIWOGVVRBDTP-UHFFFAOYSA-N 1 2 285.351 2.029 20 30 CEEDLO C#Cc1ccc(C[NH+]2CCC(S(=O)(=O)CC)CC2)cc1 ZINC000809656123 632122203 /nfs/dbraw/zinc/12/22/03/632122203.db2.gz XDCRDRHIGGGVAV-UHFFFAOYSA-N 1 2 291.416 2.067 20 30 CEEDLO COc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(OC)c1 ZINC000810132227 632182982 /nfs/dbraw/zinc/18/29/82/632182982.db2.gz YSXLYGHCYFEUPI-UHFFFAOYSA-N 1 2 289.360 2.322 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3[nH]ccc3s2)CC1 ZINC000989567926 632206035 /nfs/dbraw/zinc/20/60/35/632206035.db2.gz SFCMBRIPJNUNTG-UHFFFAOYSA-N 1 2 287.388 2.011 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3[nH]ccc3s2)CC1 ZINC000989567926 632206039 /nfs/dbraw/zinc/20/60/39/632206039.db2.gz SFCMBRIPJNUNTG-UHFFFAOYSA-N 1 2 287.388 2.011 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2C2CC2)CC1 ZINC000989610689 632211106 /nfs/dbraw/zinc/21/11/06/632211106.db2.gz JTGZXYBUOIKBKX-UHFFFAOYSA-N 1 2 288.416 2.407 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2C2CC2)CC1 ZINC000989610689 632211111 /nfs/dbraw/zinc/21/11/11/632211111.db2.gz JTGZXYBUOIKBKX-UHFFFAOYSA-N 1 2 288.416 2.407 20 30 CEEDLO C=C(Br)CNc1cc(NC2CC2)[nH+]cn1 ZINC000840251102 632518059 /nfs/dbraw/zinc/51/80/59/632518059.db2.gz GZCCCCQKCOWMTN-UHFFFAOYSA-N 1 2 269.146 2.371 20 30 CEEDLO C=C(Br)CNc1cc(NC2CC2)nc[nH+]1 ZINC000840251102 632518062 /nfs/dbraw/zinc/51/80/62/632518062.db2.gz GZCCCCQKCOWMTN-UHFFFAOYSA-N 1 2 269.146 2.371 20 30 CEEDLO C#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000812747660 632572642 /nfs/dbraw/zinc/57/26/42/632572642.db2.gz AXMKDKJYLNDECH-HNNXBMFYSA-N 1 2 285.322 2.293 20 30 CEEDLO C=C1CCC(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898912051 632644523 /nfs/dbraw/zinc/64/45/23/632644523.db2.gz DEYYFSKGVVGTFY-UHFFFAOYSA-N 1 2 261.369 2.481 20 30 CEEDLO Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000899082798 632697182 /nfs/dbraw/zinc/69/71/82/632697182.db2.gz UPCROLVAMPIIPX-AWEZNQCLSA-N 1 2 294.358 2.116 20 30 CEEDLO CN(C)C(=S)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814845227 632907060 /nfs/dbraw/zinc/90/70/60/632907060.db2.gz YGCCDKQAKOZUQU-SECBINFHSA-N 1 2 274.393 2.130 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2nc(-c3cccnc3)no2)cn1C ZINC000814950559 632938892 /nfs/dbraw/zinc/93/88/92/632938892.db2.gz LQCPIVZJOBHZEI-UHFFFAOYSA-N 1 2 297.322 2.010 20 30 CEEDLO CC(=[NH+]NC[C@@H](C)O)c1cc(Cl)c(N)c(Cl)c1 ZINC000814961092 632941527 /nfs/dbraw/zinc/94/15/27/632941527.db2.gz 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C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029453424 805839645 /nfs/dbraw/zinc/83/96/45/805839645.db2.gz AZJZQUSQFQAOPB-VNHYZAJKSA-N 1 2 268.376 2.233 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC001088472021 806280747 /nfs/dbraw/zinc/28/07/47/806280747.db2.gz QKRNDXLMUCJTFV-OLZOCXBDSA-N 1 2 293.798 2.335 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC001088472021 806280753 /nfs/dbraw/zinc/28/07/53/806280753.db2.gz QKRNDXLMUCJTFV-OLZOCXBDSA-N 1 2 293.798 2.335 20 30 CEEDLO C=C1CCC(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001098242518 806459805 /nfs/dbraw/zinc/45/98/05/806459805.db2.gz NSAISAVVADLEMT-LBPRGKRZSA-N 1 2 288.395 2.448 20 30 CEEDLO C=CC(C)(C)CC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105481665 806589229 /nfs/dbraw/zinc/58/92/29/806589229.db2.gz YLBHWWXUKLQYNM-UHFFFAOYSA-N 1 2 290.411 2.282 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCC(C)C)CC2)C1 ZINC001105687464 806890657 /nfs/dbraw/zinc/89/06/57/806890657.db2.gz 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ZINC001038374840 803851747 /nfs/dbraw/zinc/85/17/47/803851747.db2.gz GNMQMQWPDKWVSK-SNVBAGLBSA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cscc1Cl ZINC001038374840 803851757 /nfs/dbraw/zinc/85/17/57/803851757.db2.gz GNMQMQWPDKWVSK-SNVBAGLBSA-N 1 2 282.796 2.229 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC001027709426 804207864 /nfs/dbraw/zinc/20/78/64/804207864.db2.gz RHFGJGINAOGUDF-GFCCVEGCSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC001027709426 804207874 /nfs/dbraw/zinc/20/78/74/804207874.db2.gz RHFGJGINAOGUDF-GFCCVEGCSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001027743324 804233343 /nfs/dbraw/zinc/23/33/43/804233343.db2.gz GDPYHIKRBWMJQK-ZDUSSCGKSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001027743324 804233348 /nfs/dbraw/zinc/23/33/48/804233348.db2.gz GDPYHIKRBWMJQK-ZDUSSCGKSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001027789552 804257728 /nfs/dbraw/zinc/25/77/28/804257728.db2.gz XXLOCFQZJYUMSY-GFCCVEGCSA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001027789552 804257734 /nfs/dbraw/zinc/25/77/34/804257734.db2.gz XXLOCFQZJYUMSY-GFCCVEGCSA-N 1 2 297.761 2.167 20 30 CEEDLO Cc1cc(C=N[S@](=O)C(C)(C)C)cc(NC=[NH2+])n1 ZINC001167865601 804515654 /nfs/dbraw/zinc/51/56/54/804515654.db2.gz QJRAHABVQUMOML-YLRAASNFSA-N 1 2 266.370 2.290 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001028193130 804526667 /nfs/dbraw/zinc/52/66/67/804526667.db2.gz WPKISJKFBYGNOY-MELADBBJSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001028193130 804526672 /nfs/dbraw/zinc/52/66/72/804526672.db2.gz WPKISJKFBYGNOY-MELADBBJSA-N 1 2 282.815 2.366 20 30 CEEDLO C=CCCCC(=O)N(C)CC[N@H+](C)CC(=C)Cl ZINC001268247856 804573392 /nfs/dbraw/zinc/57/33/92/804573392.db2.gz VGMWVAKMUHCGKF-UHFFFAOYSA-N 1 2 258.793 2.485 20 30 CEEDLO C=CCCCC(=O)N(C)CC[N@@H+](C)CC(=C)Cl ZINC001268247856 804573395 /nfs/dbraw/zinc/57/33/95/804573395.db2.gz VGMWVAKMUHCGKF-UHFFFAOYSA-N 1 2 258.793 2.485 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CO[C@@H]2CCCC[C@H]2CC)C1 ZINC001268300011 804603713 /nfs/dbraw/zinc/60/37/13/804603713.db2.gz LYVVIRWNIKFVIP-GDBMZVCRSA-N 1 2 294.439 2.348 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1Cl ZINC001038967878 804613205 /nfs/dbraw/zinc/61/32/05/804613205.db2.gz LUSUPBOXAQUVLO-LLVKDONJSA-N 1 2 294.757 2.225 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1Cl ZINC001038967878 804613209 /nfs/dbraw/zinc/61/32/09/804613209.db2.gz LUSUPBOXAQUVLO-LLVKDONJSA-N 1 2 294.757 2.225 20 30 CEEDLO C#CC[C@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OC ZINC001118577874 815026914 /nfs/dbraw/zinc/02/69/14/815026914.db2.gz NELZCLXSTACMOF-NRXISQOPSA-N 1 2 263.381 2.500 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)C[C@H](C)c2cccc(OC)c2)C1 ZINC001268491511 804758070 /nfs/dbraw/zinc/75/80/70/804758070.db2.gz JKYRRCXBPVTUFR-ZDUSSCGKSA-N 1 2 288.391 2.175 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059021540 804838245 /nfs/dbraw/zinc/83/82/45/804838245.db2.gz DKEGCWOXEXNYFO-ZDUSSCGKSA-N 1 2 288.395 2.400 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001268727427 804944398 /nfs/dbraw/zinc/94/43/98/804944398.db2.gz MIYIXQUITNCKJU-MNOVXSKESA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001268727427 804944400 /nfs/dbraw/zinc/94/44/00/804944400.db2.gz MIYIXQUITNCKJU-MNOVXSKESA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1conc1C ZINC001268947206 805008566 /nfs/dbraw/zinc/00/85/66/805008566.db2.gz FYUKPVOMILZUGV-GJZGRUSLSA-N 1 2 289.379 2.124 20 30 CEEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1conc1C ZINC001268947206 805008576 /nfs/dbraw/zinc/00/85/76/805008576.db2.gz FYUKPVOMILZUGV-GJZGRUSLSA-N 1 2 289.379 2.124 20 30 CEEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001269221041 805088108 /nfs/dbraw/zinc/08/81/08/805088108.db2.gz FYDCYCNTYCKALV-LBPRGKRZSA-N 1 2 279.409 2.142 20 30 CEEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001269221041 805088118 /nfs/dbraw/zinc/08/81/18/805088118.db2.gz FYDCYCNTYCKALV-LBPRGKRZSA-N 1 2 279.409 2.142 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1Cc1conc1CC ZINC001269271729 805108261 /nfs/dbraw/zinc/10/82/61/805108261.db2.gz CQMHVIWJLMDMBR-CYBMUJFWSA-N 1 2 291.395 2.140 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1conc1CC ZINC001269271729 805108264 /nfs/dbraw/zinc/10/82/64/805108264.db2.gz CQMHVIWJLMDMBR-CYBMUJFWSA-N 1 2 291.395 2.140 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001269278159 805111822 /nfs/dbraw/zinc/11/18/22/805111822.db2.gz CVSDYHJCARDQDY-UONOGXRCSA-N 1 2 291.395 2.276 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001269278159 805111826 /nfs/dbraw/zinc/11/18/26/805111826.db2.gz CVSDYHJCARDQDY-UONOGXRCSA-N 1 2 291.395 2.276 20 30 CEEDLO C=CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001270557803 805468249 /nfs/dbraw/zinc/46/82/49/805468249.db2.gz NZDYNOYYILMRFM-OAHLLOKOSA-N 1 2 293.436 2.498 20 30 CEEDLO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)s2)C1 ZINC001270557803 805468256 /nfs/dbraw/zinc/46/82/56/805468256.db2.gz NZDYNOYYILMRFM-OAHLLOKOSA-N 1 2 293.436 2.498 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001030302694 807139999 /nfs/dbraw/zinc/13/99/99/807139999.db2.gz FLOXKJVITGDDCN-UHFFFAOYSA-N 1 2 291.420 2.319 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001030308553 807142383 /nfs/dbraw/zinc/14/23/83/807142383.db2.gz JBCJNESRXPIKPB-ZDUSSCGKSA-N 1 2 262.397 2.333 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2nsc3ccccc32)C1 ZINC001030360798 807154937 /nfs/dbraw/zinc/15/49/37/807154937.db2.gz USHOSFVAIYGHDY-UHFFFAOYSA-N 1 2 287.388 2.286 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)sc2C)C1 ZINC001030625843 807263517 /nfs/dbraw/zinc/26/35/17/807263517.db2.gz GKKHJIUZOYPAJQ-UHFFFAOYSA-N 1 2 264.394 2.355 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001030667415 807298618 /nfs/dbraw/zinc/29/86/18/807298618.db2.gz LZGHZEMXEHNCKO-OAHLLOKOSA-N 1 2 292.423 2.102 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc3ncccc23)C1 ZINC001030668860 807299443 /nfs/dbraw/zinc/29/94/43/807299443.db2.gz JYBBITZBONSODH-UHFFFAOYSA-N 1 2 295.386 2.154 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001030670468 807300823 /nfs/dbraw/zinc/30/08/23/807300823.db2.gz SOTAWXFVNPMJQO-UHFFFAOYSA-N 1 2 290.794 2.015 20 30 CEEDLO COC(=O)c1[nH]c2ccccc2c1C[NH2+]CC1(C#N)CC1 ZINC001119448774 815113864 /nfs/dbraw/zinc/11/38/64/815113864.db2.gz LVQFNSFVJHIYBU-UHFFFAOYSA-N 1 2 283.331 2.348 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc3sccc32)C1 ZINC001030834197 807415027 /nfs/dbraw/zinc/41/50/27/807415027.db2.gz OXQPAFALTZRTOD-UHFFFAOYSA-N 1 2 287.388 2.286 20 30 CEEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)CC1 ZINC001030900544 807469852 /nfs/dbraw/zinc/46/98/52/807469852.db2.gz TWILJSAYKLWRSY-BBRMVZONSA-N 1 2 292.423 2.101 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)CC2CCCCCC2)C1 ZINC001031017539 807587336 /nfs/dbraw/zinc/58/73/36/807587336.db2.gz GJZVEBJVKFRFER-UHFFFAOYSA-N 1 2 262.397 2.171 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc3sccc32)C1 ZINC001031052057 807620999 /nfs/dbraw/zinc/62/09/99/807620999.db2.gz CGZNKQYJIRTBJF-UHFFFAOYSA-N 1 2 298.411 2.268 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001031065915 807628050 /nfs/dbraw/zinc/62/80/50/807628050.db2.gz PEOADKQBCFXYHF-NSHDSACASA-N 1 2 277.368 2.178 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001031068074 807629750 /nfs/dbraw/zinc/62/97/50/807629750.db2.gz WJVXRJMWSJMIGN-LBPRGKRZSA-N 1 2 262.353 2.068 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3ccncc3c2)C1 ZINC001031203639 807758952 /nfs/dbraw/zinc/75/89/52/807758952.db2.gz HSWVINAJSHPODD-UHFFFAOYSA-N 1 2 281.359 2.225 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001031289564 807870030 /nfs/dbraw/zinc/87/00/30/807870030.db2.gz JQWIKTZIMMIGQG-UHFFFAOYSA-N 1 2 285.347 2.126 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc3ccccc32)C1 ZINC001031431625 807955696 /nfs/dbraw/zinc/95/56/96/807955696.db2.gz QKISPQAALXCRQM-UHFFFAOYSA-N 1 2 281.359 2.225 20 30 CEEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cnc(CC)s2)C1 ZINC001031466381 807968060 /nfs/dbraw/zinc/96/80/60/807968060.db2.gz UIMNLKSJXDNGMV-UHFFFAOYSA-N 1 2 279.409 2.086 20 30 CEEDLO C=C[C@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC001123897995 808010116 /nfs/dbraw/zinc/01/01/16/808010116.db2.gz ABRQGZTXOYZPMW-HNNXBMFYSA-N 1 2 269.348 2.049 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001031604226 808017820 /nfs/dbraw/zinc/01/78/20/808017820.db2.gz JRGJOSNOSSONFP-UHFFFAOYSA-N 1 2 284.831 2.469 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](Cc2nccnc2Cl)CC1 ZINC001236616072 808133885 /nfs/dbraw/zinc/13/38/85/808133885.db2.gz VDQPONFNJKDILD-SNVBAGLBSA-N 1 2 250.733 2.256 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](Cc2nccnc2Cl)CC1 ZINC001236616072 808133889 /nfs/dbraw/zinc/13/38/89/808133889.db2.gz VDQPONFNJKDILD-SNVBAGLBSA-N 1 2 250.733 2.256 20 30 CEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c(F)cc1F ZINC001237525649 808227205 /nfs/dbraw/zinc/22/72/05/808227205.db2.gz SWRKFLYDODQDPB-SMDDNHRTSA-N 1 2 284.281 2.131 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(F)cc1F ZINC001237525649 808227212 /nfs/dbraw/zinc/22/72/12/808227212.db2.gz SWRKFLYDODQDPB-SMDDNHRTSA-N 1 2 284.281 2.131 20 30 CEEDLO C=CCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000448029928 808323372 /nfs/dbraw/zinc/32/33/72/808323372.db2.gz JSBZMQVUZYLTRL-ZDUSSCGKSA-N 1 2 276.384 2.275 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001107860852 808551916 /nfs/dbraw/zinc/55/19/16/808551916.db2.gz ZEHCMRPJRZBSMC-QGZVFWFLSA-N 1 2 292.423 2.270 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001107860852 808551925 /nfs/dbraw/zinc/55/19/25/808551925.db2.gz ZEHCMRPJRZBSMC-QGZVFWFLSA-N 1 2 292.423 2.270 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038522030 808666373 /nfs/dbraw/zinc/66/63/73/808666373.db2.gz AYMQDPWWRZQELR-HNNXBMFYSA-N 1 2 290.794 2.476 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038522030 808666376 /nfs/dbraw/zinc/66/63/76/808666376.db2.gz AYMQDPWWRZQELR-HNNXBMFYSA-N 1 2 290.794 2.476 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]2C(F)F)C1 ZINC001042915316 808674067 /nfs/dbraw/zinc/67/40/67/808674067.db2.gz MKSPSTGKWJXPCY-OLZOCXBDSA-N 1 2 286.366 2.387 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C1CC1 ZINC001032589646 808718254 /nfs/dbraw/zinc/71/82/54/808718254.db2.gz DTLBBFGZHHHXJK-KBPBESRZSA-N 1 2 284.359 2.079 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C1CC1 ZINC001032589646 808718257 /nfs/dbraw/zinc/71/82/57/808718257.db2.gz DTLBBFGZHHHXJK-KBPBESRZSA-N 1 2 284.359 2.079 20 30 CEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)C1 ZINC001032613988 808732082 /nfs/dbraw/zinc/73/20/82/808732082.db2.gz FSGZLVPUOIVVOI-LDIIPZEWSA-N 1 2 280.799 2.380 20 30 CEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)C1 ZINC001032613988 808732087 /nfs/dbraw/zinc/73/20/87/808732087.db2.gz FSGZLVPUOIVVOI-LDIIPZEWSA-N 1 2 280.799 2.380 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1Cl ZINC001032649851 808774410 /nfs/dbraw/zinc/77/44/10/808774410.db2.gz OHGQSWJGRWBZPD-QWRGUYRKSA-N 1 2 292.741 2.011 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1Cl ZINC001032649851 808774414 /nfs/dbraw/zinc/77/44/14/808774414.db2.gz OHGQSWJGRWBZPD-QWRGUYRKSA-N 1 2 292.741 2.011 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)c1 ZINC001032664847 808780517 /nfs/dbraw/zinc/78/05/17/808780517.db2.gz BIFKQDBLXRZNHU-RYUDHWBXSA-N 1 2 294.807 2.324 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)c1 ZINC001032664847 808780522 /nfs/dbraw/zinc/78/05/22/808780522.db2.gz BIFKQDBLXRZNHU-RYUDHWBXSA-N 1 2 294.807 2.324 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C(C)C)c1C ZINC001032774115 808856974 /nfs/dbraw/zinc/85/69/74/808856974.db2.gz XCGQHMJFQOPQIK-HOTGVXAUSA-N 1 2 299.418 2.218 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C(C)C)c1C ZINC001032774115 808856980 /nfs/dbraw/zinc/85/69/80/808856980.db2.gz XCGQHMJFQOPQIK-HOTGVXAUSA-N 1 2 299.418 2.218 20 30 CEEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(C)=O)c2C1 ZINC001128133448 808857237 /nfs/dbraw/zinc/85/72/37/808857237.db2.gz YSLICIITOPHYCZ-UHFFFAOYSA-N 1 2 292.427 2.305 20 30 CEEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(C)=O)c2C1 ZINC001128133448 808857244 /nfs/dbraw/zinc/85/72/44/808857244.db2.gz YSLICIITOPHYCZ-UHFFFAOYSA-N 1 2 292.427 2.305 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccoc2C)C1 ZINC001032895233 809109217 /nfs/dbraw/zinc/10/92/17/809109217.db2.gz FIKODWYFXOPJFL-GFCCVEGCSA-N 1 2 282.771 2.487 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccoc2C)C1 ZINC001032895233 809109219 /nfs/dbraw/zinc/10/92/19/809109219.db2.gz FIKODWYFXOPJFL-GFCCVEGCSA-N 1 2 282.771 2.487 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncccc2C)C1 ZINC001032973499 809131889 /nfs/dbraw/zinc/13/18/89/809131889.db2.gz OERLECZLPFIONS-ZDUSSCGKSA-N 1 2 293.798 2.289 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncccc2C)C1 ZINC001032973499 809131895 /nfs/dbraw/zinc/13/18/95/809131895.db2.gz OERLECZLPFIONS-ZDUSSCGKSA-N 1 2 293.798 2.289 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)n2cccc2)C1 ZINC001033006928 809142403 /nfs/dbraw/zinc/14/24/03/809142403.db2.gz AFGAKMIJCGAWJI-ZIAGYGMSSA-N 1 2 295.814 2.334 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)n2cccc2)C1 ZINC001033006928 809142411 /nfs/dbraw/zinc/14/24/11/809142411.db2.gz AFGAKMIJCGAWJI-ZIAGYGMSSA-N 1 2 295.814 2.334 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)o2)C1 ZINC001033026511 809151427 /nfs/dbraw/zinc/15/14/27/809151427.db2.gz WHHXEMBNMVXZQJ-ZDUSSCGKSA-N 1 2 296.798 2.416 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)o2)C1 ZINC001033026511 809151430 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C#Cc1ccc(NCc2nc(C[NH+](C)C)cs2)nc1 ZINC001120875476 815289186 /nfs/dbraw/zinc/28/91/86/815289186.db2.gz XJRAWBREBBKZNZ-UHFFFAOYSA-N 1 2 272.377 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccon2)C1 ZINC001034114987 809518643 /nfs/dbraw/zinc/51/86/43/809518643.db2.gz QNYDPXIHHURHAH-LLVKDONJSA-N 1 2 283.759 2.011 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccon2)C1 ZINC001034114987 809518640 /nfs/dbraw/zinc/51/86/40/809518640.db2.gz QNYDPXIHHURHAH-LLVKDONJSA-N 1 2 283.759 2.011 20 30 CEEDLO N#CCCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001143198889 809528719 /nfs/dbraw/zinc/52/87/19/809528719.db2.gz PLNPMWQWIHINNY-UHFFFAOYSA-N 1 2 254.293 2.174 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001015622912 810315575 /nfs/dbraw/zinc/31/55/75/810315575.db2.gz XBXSWMSNABBVQF-LBPRGKRZSA-N 1 2 293.798 2.449 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001015622912 810315581 /nfs/dbraw/zinc/31/55/81/810315581.db2.gz XBXSWMSNABBVQF-LBPRGKRZSA-N 1 2 293.798 2.449 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001015735935 810342023 /nfs/dbraw/zinc/34/20/23/810342023.db2.gz ZNPNDBPAMKZSLR-LLVKDONJSA-N 1 2 296.802 2.090 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001015735935 810342028 /nfs/dbraw/zinc/34/20/28/810342028.db2.gz ZNPNDBPAMKZSLR-LLVKDONJSA-N 1 2 296.802 2.090 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001015978353 810380856 /nfs/dbraw/zinc/38/08/56/810380856.db2.gz ZIBJDKJOTNVHTL-LBPRGKRZSA-N 1 2 293.798 2.060 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001015978353 810380857 /nfs/dbraw/zinc/38/08/57/810380857.db2.gz ZIBJDKJOTNVHTL-LBPRGKRZSA-N 1 2 293.798 2.060 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001084733946 810509449 /nfs/dbraw/zinc/50/94/49/810509449.db2.gz OVLAAYABPLQACA-TZMCWYRMSA-N 1 2 294.782 2.107 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001084733946 810509452 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CCCCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001112615159 812021776 /nfs/dbraw/zinc/02/17/76/812021776.db2.gz HDKSFGJQRRSZQE-UHFFFAOYSA-N 1 2 285.391 2.393 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC001112687479 812043312 /nfs/dbraw/zinc/04/33/12/812043312.db2.gz BEQBZHJKVMLJEF-UHFFFAOYSA-N 1 2 273.380 2.000 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](CCc2csc(C)n2)CC1 ZINC001112687527 812043380 /nfs/dbraw/zinc/04/33/80/812043380.db2.gz DXOGYTRLJDYRDE-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cscc2C)CC1 ZINC001112749642 812054913 /nfs/dbraw/zinc/05/49/13/812054913.db2.gz GFFDVSULPCTBJK-UHFFFAOYSA-N 1 2 294.420 2.017 20 30 CEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113229383 812188954 /nfs/dbraw/zinc/18/89/54/812188954.db2.gz IQSFHHZYUGQFRB-HUUCEWRRSA-N 1 2 294.439 2.015 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(F)CCCCC2)CC1 ZINC001113492333 812264170 /nfs/dbraw/zinc/26/41/70/812264170.db2.gz SPLDVKHWAIPLLJ-UHFFFAOYSA-N 1 2 298.402 2.006 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)CC(C)C)CC1 ZINC001113526671 812270175 /nfs/dbraw/zinc/27/01/75/812270175.db2.gz HSLSTSJCNWAIER-CQSZACIVSA-N 1 2 252.402 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001113580402 812280600 /nfs/dbraw/zinc/28/06/00/812280600.db2.gz MWKKDCDORCVOTJ-ZDUSSCGKSA-N 1 2 252.402 2.389 20 30 CEEDLO C#CCC1(C(=O)N2CC[NH+](CC=C)CC2)CCCCC1 ZINC001113705270 812306457 /nfs/dbraw/zinc/30/64/57/812306457.db2.gz XQDZLOZZZNTVGX-UHFFFAOYSA-N 1 2 274.408 2.290 20 30 CEEDLO C=CCCC(=O)N1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001097364922 812360033 /nfs/dbraw/zinc/36/00/33/812360033.db2.gz ZTOLHTSATXTLLA-CQSZACIVSA-N 1 2 288.395 2.402 20 30 CEEDLO CC(C)(S)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170304790 812379962 /nfs/dbraw/zinc/37/99/62/812379962.db2.gz BGJTVOPHSPAODE-UHFFFAOYSA-N 1 2 262.382 2.447 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](CC(=O)OC)c1ccc(O)cc1 ZINC001255159537 812718674 /nfs/dbraw/zinc/71/86/74/812718674.db2.gz XLYQWLPQGMYJAM-TZMCWYRMSA-N 1 2 276.336 2.278 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018178 812775947 /nfs/dbraw/zinc/77/59/47/812775947.db2.gz VKUIMMXALOTACE-UONOGXRCSA-N 1 2 282.815 2.367 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132018178 812775950 /nfs/dbraw/zinc/77/59/50/812775950.db2.gz VKUIMMXALOTACE-UONOGXRCSA-N 1 2 282.815 2.367 20 30 CEEDLO Cc1[nH+]c(N2C[C@@H]3C(=O)CCC[C@@H]3C2)ccc1CC#N ZINC001159008948 813176348 /nfs/dbraw/zinc/17/63/48/813176348.db2.gz FADARMQHSVFDAR-KGLIPLIRSA-N 1 2 269.348 2.262 20 30 CEEDLO CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001071282707 813339724 /nfs/dbraw/zinc/33/97/24/813339724.db2.gz NRGRZLPTOJYNAF-BZNIZROVSA-N 1 2 289.354 2.186 20 30 CEEDLO CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001071282707 813339730 /nfs/dbraw/zinc/33/97/30/813339730.db2.gz NRGRZLPTOJYNAF-BZNIZROVSA-N 1 2 289.354 2.186 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cscn2)CC[C@@H]1C ZINC001071377803 813382621 /nfs/dbraw/zinc/38/26/21/813382621.db2.gz GKHRNSPKHCSIHW-WDEREUQCSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cscn2)CC[C@@H]1C ZINC001071377803 813382628 /nfs/dbraw/zinc/38/26/28/813382628.db2.gz GKHRNSPKHCSIHW-WDEREUQCSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc(C)[nH]2)CC[C@H]1C ZINC001071392115 813388136 /nfs/dbraw/zinc/38/81/36/813388136.db2.gz RGXYIAHUULDDAA-ZYHUDNBSSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc(C)[nH]2)CC[C@H]1C ZINC001071392115 813388145 /nfs/dbraw/zinc/38/81/45/813388145.db2.gz RGXYIAHUULDDAA-ZYHUDNBSSA-N 1 2 296.802 2.053 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C#N)c1 ZINC001135495315 813449252 /nfs/dbraw/zinc/44/92/52/813449252.db2.gz XXKAHQZMXJNAKH-JTQLQIEISA-N 1 2 254.293 2.099 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC001135495315 813449254 /nfs/dbraw/zinc/44/92/54/813449254.db2.gz XXKAHQZMXJNAKH-JTQLQIEISA-N 1 2 254.293 2.099 20 30 CEEDLO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170895112 813628318 /nfs/dbraw/zinc/62/83/18/813628318.db2.gz OJDBXXYPYZYQHU-NXEZZACHSA-N 1 2 284.297 2.337 20 30 CEEDLO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170895112 813628323 /nfs/dbraw/zinc/62/83/23/813628323.db2.gz OJDBXXYPYZYQHU-NXEZZACHSA-N 1 2 284.297 2.337 20 30 CEEDLO CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001170909034 813633473 /nfs/dbraw/zinc/63/34/73/813633473.db2.gz RZQDZEFUDVMURE-WDEREUQCSA-N 1 2 296.308 2.175 20 30 CEEDLO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170909034 813633476 /nfs/dbraw/zinc/63/34/76/813633476.db2.gz RZQDZEFUDVMURE-WDEREUQCSA-N 1 2 296.308 2.175 20 30 CEEDLO C#CCCCCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098188201 813845390 /nfs/dbraw/zinc/84/53/90/813845390.db2.gz CHQRPIVSSGIQKE-CYBMUJFWSA-N 1 2 288.395 2.285 20 30 CEEDLO C(=[NH+]N[C@H]1CCCOC1)c1ccc(N2CCCCC2)o1 ZINC000780256883 813955173 /nfs/dbraw/zinc/95/51/73/813955173.db2.gz DHVVYGWCKOFRMP-ZDUSSCGKSA-N 1 2 277.368 2.372 20 30 CEEDLO Cc1ncccc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC001144166598 813978550 /nfs/dbraw/zinc/97/85/50/813978550.db2.gz MPJCXACLBBHOGQ-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO Cc1ncccc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144166598 813978559 /nfs/dbraw/zinc/97/85/59/813978559.db2.gz MPJCXACLBBHOGQ-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO C=C(C(=O)N1CCC(n2cc[nH+]c2)CC1)C(F)(F)F ZINC001144207257 813989980 /nfs/dbraw/zinc/98/99/80/813989980.db2.gz BFTFFOAASPKXAR-UHFFFAOYSA-N 1 2 273.258 2.165 20 30 CEEDLO CC#CCCCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103287311 814485892 /nfs/dbraw/zinc/48/58/92/814485892.db2.gz HSHQADSUQUXFJT-CQSZACIVSA-N 1 2 288.395 2.285 20 30 CEEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001124650129 815623908 /nfs/dbraw/zinc/62/39/08/815623908.db2.gz CEPPSXIHMGYSIJ-NSHDSACASA-N 1 2 294.399 2.100 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCC(CC#N)CC1 ZINC001173332004 815678456 /nfs/dbraw/zinc/67/84/56/815678456.db2.gz WDWNHRLFYIDQBD-MVKMKZAISA-N 1 2 268.332 2.044 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCC(CC#N)CC1 ZINC001173332004 815678458 /nfs/dbraw/zinc/67/84/58/815678458.db2.gz WDWNHRLFYIDQBD-MVKMKZAISA-N 1 2 268.332 2.044 20 30 CEEDLO C#CCOc1ccc(C[NH+]2CC(CC#N)C2)cc1OC ZINC001138342177 815771414 /nfs/dbraw/zinc/77/14/14/815771414.db2.gz ZJBDDOAGGJQFGR-UHFFFAOYSA-N 1 2 270.332 2.053 20 30 CEEDLO C=CCc1cccc(CN2CC[N@H+](C)[C@H](C)C2)c1O ZINC001138628399 815849047 /nfs/dbraw/zinc/84/90/47/815849047.db2.gz UFNLOBMVNZLSKH-CYBMUJFWSA-N 1 2 260.381 2.257 20 30 CEEDLO C=CCc1cccc(CN2CC[N@@H+](C)[C@H](C)C2)c1O ZINC001138628399 815849056 /nfs/dbraw/zinc/84/90/56/815849056.db2.gz UFNLOBMVNZLSKH-CYBMUJFWSA-N 1 2 260.381 2.257 20 30 CEEDLO C#Cc1cc(Nc2cccc(C(=O)N3CCCC3)c2)cc[nH+]1 ZINC001174167678 815927060 /nfs/dbraw/zinc/92/70/60/815927060.db2.gz FWMKUAHSRPTXEE-UHFFFAOYSA-N 1 2 291.354 2.464 20 30 CEEDLO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)nc1OC ZINC001139105280 815962398 /nfs/dbraw/zinc/96/23/98/815962398.db2.gz NWLNJFPGZJVWCK-UHFFFAOYSA-N 1 2 275.352 2.224 20 30 CEEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001139292105 816002386 /nfs/dbraw/zinc/00/23/86/816002386.db2.gz SVVAYRKEEKTIQX-LBPRGKRZSA-N 1 2 291.420 2.055 20 30 CEEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001139292105 816002390 /nfs/dbraw/zinc/00/23/90/816002390.db2.gz SVVAYRKEEKTIQX-LBPRGKRZSA-N 1 2 291.420 2.055 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(N2CCCCC2)nc1 ZINC001139346759 816009238 /nfs/dbraw/zinc/00/92/38/816009238.db2.gz UFNZGDXCCQINBG-UHFFFAOYSA-N 1 2 267.376 2.140 20 30 CEEDLO C#Cc1cc(Nc2cnn([C@@H]3CCCCO3)c2)cc[nH+]1 ZINC001174600062 816058794 /nfs/dbraw/zinc/05/87/94/816058794.db2.gz QYGLWPWPYVLNIF-HNNXBMFYSA-N 1 2 268.320 2.124 20 30 CEEDLO Cc1cnc(C#N)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175340133 816179106 /nfs/dbraw/zinc/17/91/06/816179106.db2.gz BCVPNOMKWCWIPK-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO N#Cc1ncc(Nc2ccc[nH+]c2N2CCOCC2)cc1F ZINC001203050694 816297646 /nfs/dbraw/zinc/29/76/46/816297646.db2.gz YCKCWNXURFTMNJ-UHFFFAOYSA-N 1 2 299.309 2.068 20 30 CEEDLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140755940 816346459 /nfs/dbraw/zinc/34/64/59/816346459.db2.gz ZHLWUZDKEWZEMG-JTQLQIEISA-N 1 2 252.264 2.057 20 30 CEEDLO COC[C@@H]1CC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140755940 816346463 /nfs/dbraw/zinc/34/64/63/816346463.db2.gz ZHLWUZDKEWZEMG-JTQLQIEISA-N 1 2 252.264 2.057 20 30 CEEDLO Nc1cccc(F)c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001140873803 816393392 /nfs/dbraw/zinc/39/33/92/816393392.db2.gz SFEUYNMOLAWYTA-ZDUSSCGKSA-N 1 2 278.352 2.182 20 30 CEEDLO Nc1cccc(F)c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001140873803 816393398 /nfs/dbraw/zinc/39/33/98/816393398.db2.gz SFEUYNMOLAWYTA-ZDUSSCGKSA-N 1 2 278.352 2.182 20 30 CEEDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC001141029658 816450405 /nfs/dbraw/zinc/45/04/05/816450405.db2.gz YSSQXUJIFUJAMH-NSHDSACASA-N 1 2 276.336 2.145 20 30 CEEDLO COc1cc(O)c(C[N@H+]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC001141029658 816450406 /nfs/dbraw/zinc/45/04/06/816450406.db2.gz YSSQXUJIFUJAMH-NSHDSACASA-N 1 2 276.336 2.145 20 30 CEEDLO C#Cc1cnc(Nc2ccc[nH+]c2N2CCCC2)c(C#C)n1 ZINC001176749256 816465792 /nfs/dbraw/zinc/46/57/92/816465792.db2.gz AQGVKDUACYRODS-UHFFFAOYSA-N 1 2 289.342 2.178 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001176912886 816497405 /nfs/dbraw/zinc/49/74/05/816497405.db2.gz OBSUQXFMQZCLCO-HOTGVXAUSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001176912886 816497406 /nfs/dbraw/zinc/49/74/06/816497406.db2.gz OBSUQXFMQZCLCO-HOTGVXAUSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001177024077 816509331 /nfs/dbraw/zinc/50/93/31/816509331.db2.gz FCPNAZNWAACHJH-HZPDHXFCSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001177024077 816509336 /nfs/dbraw/zinc/50/93/36/816509336.db2.gz FCPNAZNWAACHJH-HZPDHXFCSA-N 1 2 292.423 2.221 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2C#N)C[C@@H]1O ZINC001141897536 816597252 /nfs/dbraw/zinc/59/72/52/816597252.db2.gz VXJFYQYZGYBBPE-ZANVPECISA-N 1 2 295.180 2.133 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)C[C@@H]1O ZINC001141897536 816597256 /nfs/dbraw/zinc/59/72/56/816597256.db2.gz VXJFYQYZGYBBPE-ZANVPECISA-N 1 2 295.180 2.133 20 30 CEEDLO CNC(=O)C[N@H+](C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972083 816605236 /nfs/dbraw/zinc/60/52/36/816605236.db2.gz BDELNSHQMWZJQS-UHFFFAOYSA-N 1 2 298.411 2.326 20 30 CEEDLO CNC(=O)C[N@@H+](C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972083 816605237 /nfs/dbraw/zinc/60/52/37/816605237.db2.gz BDELNSHQMWZJQS-UHFFFAOYSA-N 1 2 298.411 2.326 20 30 CEEDLO N#Cc1cccc2c1CC[C@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000498 816656619 /nfs/dbraw/zinc/65/66/19/816656619.db2.gz QRVUXFYVXSXYRU-CQSZACIVSA-N 1 2 280.331 2.018 20 30 CEEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117737 816678358 /nfs/dbraw/zinc/67/83/58/816678358.db2.gz FYRFLZGHFAEWAH-LLVKDONJSA-N 1 2 298.321 2.403 20 30 CEEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2CC3CC[NH+]2CC3)c1F ZINC001142633504 816696718 /nfs/dbraw/zinc/69/67/18/816696718.db2.gz WZFRMHMXKHXXEQ-ZDUSSCGKSA-N 1 2 291.301 2.259 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(C(C)C)n2)CC1 ZINC001178448175 816739050 /nfs/dbraw/zinc/73/90/50/816739050.db2.gz QURNITJOXISVGQ-UHFFFAOYSA-N 1 2 287.407 2.078 20 30 CEEDLO Cc1cc(C#N)c(NC(=O)[C@@H]2CCCC[N@H+]2C)s1 ZINC001178690785 816781726 /nfs/dbraw/zinc/78/17/26/816781726.db2.gz HWHXDSATWBVTCA-NSHDSACASA-N 1 2 263.366 2.351 20 30 CEEDLO Cc1cc(C#N)c(NC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC001178690785 816781732 /nfs/dbraw/zinc/78/17/32/816781732.db2.gz HWHXDSATWBVTCA-NSHDSACASA-N 1 2 263.366 2.351 20 30 CEEDLO Cc1ccc(CN(CC#N)Cc2ccccc2)c(N)[nH+]1 ZINC001143208642 816810158 /nfs/dbraw/zinc/81/01/58/816810158.db2.gz IZPYOVHHMOCNQL-UHFFFAOYSA-N 1 2 266.348 2.498 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCN(c3ccccc3)C(=O)C2)C1 ZINC000336358863 365562987 /nfs/dbraw/zinc/56/29/87/365562987.db2.gz IAVQIOLTJDIALQ-UKRRQHHQSA-N 1 2 269.348 2.027 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN(c3ccccc3)C(=O)C2)C1 ZINC000336358863 365562991 /nfs/dbraw/zinc/56/29/91/365562991.db2.gz IAVQIOLTJDIALQ-UKRRQHHQSA-N 1 2 269.348 2.027 20 30 CEEDLO C=CC[N@@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000121267421 365543955 /nfs/dbraw/zinc/54/39/55/365543955.db2.gz IYYLJNLJYXVNRF-UHFFFAOYSA-N 1 2 297.284 2.299 20 30 CEEDLO C=CC[N@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000121267421 365543963 /nfs/dbraw/zinc/54/39/63/365543963.db2.gz IYYLJNLJYXVNRF-UHFFFAOYSA-N 1 2 297.284 2.299 20 30 CEEDLO C=CC[N@@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000121313859 365552089 /nfs/dbraw/zinc/55/20/89/365552089.db2.gz DEHOFWCDYSQJLE-LLVKDONJSA-N 1 2 278.352 2.107 20 30 CEEDLO C=CC[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000121313859 365552093 /nfs/dbraw/zinc/55/20/93/365552093.db2.gz DEHOFWCDYSQJLE-LLVKDONJSA-N 1 2 278.352 2.107 20 30 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/nfs/dbraw/zinc/44/13/12/345441312.db2.gz DLVZBZSRINZXPS-AWEZNQCLSA-N 1 2 276.384 2.123 20 30 CEEDLO N#Cc1cccc2c1C[N@H+](CCO[C@H]1CCCCO1)C2 ZINC000593125838 345445014 /nfs/dbraw/zinc/44/50/14/345445014.db2.gz HJJRICSVQOAYKK-INIZCTEOSA-N 1 2 272.348 2.417 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+](CCO[C@H]1CCCCO1)C2 ZINC000593125838 345445017 /nfs/dbraw/zinc/44/50/17/345445017.db2.gz HJJRICSVQOAYKK-INIZCTEOSA-N 1 2 272.348 2.417 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)(F)F)cc1 ZINC000593153389 345447414 /nfs/dbraw/zinc/44/74/14/345447414.db2.gz ZIZMDAYBDJAXCB-AWEZNQCLSA-N 1 2 295.333 2.372 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1F ZINC000593154236 345447938 /nfs/dbraw/zinc/44/79/38/345447938.db2.gz BHTBFLPKOJVETC-CYBMUJFWSA-N 1 2 283.734 2.053 20 30 CEEDLO CC[C@H](C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000593470215 345493160 /nfs/dbraw/zinc/49/31/60/345493160.db2.gz QUHBVXRREQZKHA-ZWNOBZJWSA-N 1 2 295.333 2.233 20 30 CEEDLO CC[C@H](C#N)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000593418504 345481144 /nfs/dbraw/zinc/48/11/44/345481144.db2.gz IEQWKTNLIXUYMC-CYBMUJFWSA-N 1 2 298.346 2.450 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)nc1 ZINC000593993670 345562181 /nfs/dbraw/zinc/56/21/81/345562181.db2.gz ZGEJSHJALJDSGQ-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)nc1 ZINC000593993670 345562183 /nfs/dbraw/zinc/56/21/83/345562183.db2.gz ZGEJSHJALJDSGQ-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](CC=C)C1)C(=O)OC ZINC000593622664 345514537 /nfs/dbraw/zinc/51/45/37/345514537.db2.gz QUNQSIFSZBZMAR-MCIONIFRSA-N 1 2 267.369 2.065 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnnn2Cc2ccccc2)CCCC1 ZINC000593654814 345517199 /nfs/dbraw/zinc/51/71/99/345517199.db2.gz PWICNURDBFFSFZ-UHFFFAOYSA-N 1 2 295.390 2.500 20 30 CEEDLO COC(=O)c1cc(C[NH2+]CC2(C#N)CCC2)c(C)o1 ZINC000594605859 345659005 /nfs/dbraw/zinc/65/90/05/345659005.db2.gz DMBALKCSJLIGSB-UHFFFAOYSA-N 1 2 262.309 2.158 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(C2CC2)c1 ZINC000573688927 334958143 /nfs/dbraw/zinc/95/81/43/334958143.db2.gz NOSHFSDOEBEYGH-KRWDZBQOSA-N 1 2 285.391 2.067 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000595682776 345847934 /nfs/dbraw/zinc/84/79/34/345847934.db2.gz QYZFWLURTITNHA-ZDUSSCGKSA-N 1 2 299.374 2.140 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000595682776 345847938 /nfs/dbraw/zinc/84/79/38/345847938.db2.gz QYZFWLURTITNHA-ZDUSSCGKSA-N 1 2 299.374 2.140 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595706601 345856366 /nfs/dbraw/zinc/85/63/66/345856366.db2.gz ZLJJGCKWJURHCS-HNNXBMFYSA-N 1 2 289.354 2.335 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595706601 345856370 /nfs/dbraw/zinc/85/63/70/345856370.db2.gz ZLJJGCKWJURHCS-HNNXBMFYSA-N 1 2 289.354 2.335 20 30 CEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614741 345827944 /nfs/dbraw/zinc/82/79/44/345827944.db2.gz NHNAUWRTOPAYGG-UONOGXRCSA-N 1 2 296.378 2.349 20 30 CEEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614741 345827947 /nfs/dbraw/zinc/82/79/47/345827947.db2.gz NHNAUWRTOPAYGG-UONOGXRCSA-N 1 2 296.378 2.349 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595617546 345829012 /nfs/dbraw/zinc/82/90/12/345829012.db2.gz WUFIWIGXAYYFOE-AWEZNQCLSA-N 1 2 282.347 2.122 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595617546 345829014 /nfs/dbraw/zinc/82/90/14/345829014.db2.gz WUFIWIGXAYYFOE-AWEZNQCLSA-N 1 2 282.347 2.122 20 30 CEEDLO COc1ccc2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)[nH]c2n1 ZINC000595620301 345830264 /nfs/dbraw/zinc/83/02/64/345830264.db2.gz LOVQNYRMPIHBDE-NSHDSACASA-N 1 2 285.351 2.092 20 30 CEEDLO COc1ccc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)[nH]c2n1 ZINC000595620301 345830268 /nfs/dbraw/zinc/83/02/68/345830268.db2.gz LOVQNYRMPIHBDE-NSHDSACASA-N 1 2 285.351 2.092 20 30 CEEDLO Cc1cc(N)nc(SCC(=O)c2cccc(C#N)c2)[nH+]1 ZINC000160687620 232251609 /nfs/dbraw/zinc/25/16/09/232251609.db2.gz NRVVVZSMTDHDGN-UHFFFAOYSA-N 1 2 284.344 2.214 20 30 CEEDLO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833522 345890065 /nfs/dbraw/zinc/89/00/65/345890065.db2.gz CONKXHQZJUMOJP-INIZCTEOSA-N 1 2 279.428 2.363 20 30 CEEDLO CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833522 345890066 /nfs/dbraw/zinc/89/00/66/345890066.db2.gz CONKXHQZJUMOJP-INIZCTEOSA-N 1 2 279.428 2.363 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000595834091 345890276 /nfs/dbraw/zinc/89/02/76/345890276.db2.gz JNYSIMWRGRXXKZ-IUODEOHRSA-N 1 2 294.782 2.315 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000595834091 345890279 /nfs/dbraw/zinc/89/02/79/345890279.db2.gz JNYSIMWRGRXXKZ-IUODEOHRSA-N 1 2 294.782 2.315 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833263 345890324 /nfs/dbraw/zinc/89/03/24/345890324.db2.gz BSPFXVYSMZAKFO-HIFRSBDPSA-N 1 2 263.385 2.013 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833263 345890329 /nfs/dbraw/zinc/89/03/29/345890329.db2.gz BSPFXVYSMZAKFO-HIFRSBDPSA-N 1 2 263.385 2.013 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)[C@H](C)C#N ZINC000595811872 345882353 /nfs/dbraw/zinc/88/23/53/345882353.db2.gz GZDDHJIEMCPYDV-LLVKDONJSA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)[C@H](C)C#N ZINC000595811872 345882355 /nfs/dbraw/zinc/88/23/55/345882355.db2.gz GZDDHJIEMCPYDV-LLVKDONJSA-N 1 2 263.316 2.388 20 30 CEEDLO CCN(CCc1[nH+]c2ccccc2n1C)[C@H](C)C#N ZINC000595818702 345885271 /nfs/dbraw/zinc/88/52/71/345885271.db2.gz XHPWAXKQZQTTDU-GFCCVEGCSA-N 1 2 256.353 2.350 20 30 CEEDLO C[C@@]1(C(F)F)C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595915377 345912725 /nfs/dbraw/zinc/91/27/25/345912725.db2.gz IUVURSGENXFCRL-HNNXBMFYSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@@]1(C(F)F)C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595915377 345912728 /nfs/dbraw/zinc/91/27/28/345912728.db2.gz IUVURSGENXFCRL-HNNXBMFYSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@@]1(C(F)F)C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000595915379 345912925 /nfs/dbraw/zinc/91/29/25/345912925.db2.gz IVTBQOGKZHIDEQ-HNNXBMFYSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@@]1(C(F)F)C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000595915379 345912927 /nfs/dbraw/zinc/91/29/27/345912927.db2.gz IVTBQOGKZHIDEQ-HNNXBMFYSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)C[N@@H+]1C1CC1 ZINC000596157001 345955152 /nfs/dbraw/zinc/95/51/52/345955152.db2.gz WBNAZRUWUAUQGU-HTQZYQBOSA-N 1 2 282.800 2.127 20 30 CEEDLO C[C@@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)C[N@H+]1C1CC1 ZINC000596157001 345955154 /nfs/dbraw/zinc/95/51/54/345955154.db2.gz WBNAZRUWUAUQGU-HTQZYQBOSA-N 1 2 282.800 2.127 20 30 CEEDLO C[C@H]1C[N@H+](CCNc2ncc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596430354 346021928 /nfs/dbraw/zinc/02/19/28/346021928.db2.gz LXDKLMJJNGBJFS-QWRGUYRKSA-N 1 2 294.786 2.128 20 30 CEEDLO C[C@H]1C[N@@H+](CCNc2ncc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596430354 346021929 /nfs/dbraw/zinc/02/19/29/346021929.db2.gz LXDKLMJJNGBJFS-QWRGUYRKSA-N 1 2 294.786 2.128 20 30 CEEDLO CCc1nnc(N[C@@H](C)c2[nH+]ccn2C)c(C#N)c1CC ZINC000596544046 346050950 /nfs/dbraw/zinc/05/09/50/346050950.db2.gz WFADXXTVKUVNHP-JTQLQIEISA-N 1 2 284.367 2.380 20 30 CEEDLO C[C@H](CC#N)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000596632739 346068765 /nfs/dbraw/zinc/06/87/65/346068765.db2.gz ZELYRUQIFPTWMR-KQQSKNTNSA-N 1 2 297.402 2.394 20 30 CEEDLO C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1[nH+]ccn1C ZINC000596926783 346106984 /nfs/dbraw/zinc/10/69/84/346106984.db2.gz XTMXIGQVKYUGKI-NSHDSACASA-N 1 2 283.335 2.369 20 30 CEEDLO Cc1cccn2c(NC(=O)N3CC[C@@](C)(C#N)C3)c[nH+]c12 ZINC000597084267 346127071 /nfs/dbraw/zinc/12/70/71/346127071.db2.gz NXYNTGXKVQGTGU-HNNXBMFYSA-N 1 2 283.335 2.410 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000597258538 346164002 /nfs/dbraw/zinc/16/40/02/346164002.db2.gz PGAODLHPCBFVMW-JXFSHQFZSA-N 1 2 286.379 2.112 20 30 CEEDLO C[C@H](CNC(=O)CC1(C#N)CCCCC1)Cn1cc[nH+]c1 ZINC000597282507 346167560 /nfs/dbraw/zinc/16/75/60/346167560.db2.gz PVIGCTLVSIKJLG-CQSZACIVSA-N 1 2 288.395 2.500 20 30 CEEDLO Cn1cc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)nn1 ZINC000597211447 346150126 /nfs/dbraw/zinc/15/01/26/346150126.db2.gz QKIZITGHUKJIOJ-UHFFFAOYSA-N 1 2 299.378 2.130 20 30 CEEDLO Cn1cc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)nn1 ZINC000597211447 346150129 /nfs/dbraw/zinc/15/01/29/346150129.db2.gz QKIZITGHUKJIOJ-UHFFFAOYSA-N 1 2 299.378 2.130 20 30 CEEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(OC)c1OC ZINC000597230137 346155814 /nfs/dbraw/zinc/15/58/14/346155814.db2.gz PWIQPXYEUGIRDI-INIZCTEOSA-N 1 2 290.363 2.448 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(OC)c1OC ZINC000597230137 346155817 /nfs/dbraw/zinc/15/58/17/346155817.db2.gz PWIQPXYEUGIRDI-INIZCTEOSA-N 1 2 290.363 2.448 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000597232959 346156447 /nfs/dbraw/zinc/15/64/47/346156447.db2.gz YFICJHZEGPZEOB-CQSZACIVSA-N 1 2 256.309 2.405 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000597232959 346156448 /nfs/dbraw/zinc/15/64/48/346156448.db2.gz YFICJHZEGPZEOB-CQSZACIVSA-N 1 2 256.309 2.405 20 30 CEEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000597233621 346156851 /nfs/dbraw/zinc/15/68/51/346156851.db2.gz LAYOXIDJXUUXPU-UHFFFAOYSA-N 1 2 293.321 2.372 20 30 CEEDLO N#CCCCOc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000597250040 346162442 /nfs/dbraw/zinc/16/24/42/346162442.db2.gz QYRUAMWEVGDJKU-UHFFFAOYSA-N 1 2 297.362 2.046 20 30 CEEDLO N#CCCCOc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000597250040 346162443 /nfs/dbraw/zinc/16/24/43/346162443.db2.gz QYRUAMWEVGDJKU-UHFFFAOYSA-N 1 2 297.362 2.046 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597910331 346250978 /nfs/dbraw/zinc/25/09/78/346250978.db2.gz ZBJBPANFTMCPQU-AWEZNQCLSA-N 1 2 296.374 2.497 20 30 CEEDLO N#CC[C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000597912457 346251549 /nfs/dbraw/zinc/25/15/49/346251549.db2.gz HOLWFFHUDNWFOG-LBPRGKRZSA-N 1 2 268.320 2.100 20 30 CEEDLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H](C)C#N ZINC000598348730 346333840 /nfs/dbraw/zinc/33/38/40/346333840.db2.gz IFBMXUAPCYACAJ-JTQLQIEISA-N 1 2 256.309 2.017 20 30 CEEDLO CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H](C)C#N ZINC000598361807 346339297 /nfs/dbraw/zinc/33/92/97/346339297.db2.gz QDYCBAJCSGQQIH-CQSZACIVSA-N 1 2 296.374 2.234 20 30 CEEDLO C=CC[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000623261510 349965506 /nfs/dbraw/zinc/96/55/06/349965506.db2.gz UTZHIIJMSYNQRJ-HOCLYGCPSA-N 1 2 281.359 2.284 20 30 CEEDLO N#C[C@]1(F)CCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000599069368 346456208 /nfs/dbraw/zinc/45/62/08/346456208.db2.gz XTTRQYZECLVLOI-OAHLLOKOSA-N 1 2 281.294 2.324 20 30 CEEDLO COC(=O)[C@@](C)([NH2+]Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599352217 346504657 /nfs/dbraw/zinc/50/46/57/346504657.db2.gz PULREMRPWNHHEL-INIZCTEOSA-N 1 2 272.348 2.298 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc3n(n1)CCC3)C2 ZINC000599676535 346561391 /nfs/dbraw/zinc/56/13/91/346561391.db2.gz BBCFUYPIHZBXGL-UHFFFAOYSA-N 1 2 292.386 2.454 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc3n(n1)CCC3)C2 ZINC000599676535 346561392 /nfs/dbraw/zinc/56/13/92/346561392.db2.gz BBCFUYPIHZBXGL-UHFFFAOYSA-N 1 2 292.386 2.454 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cc1ncccn1)C2 ZINC000599678514 346562046 /nfs/dbraw/zinc/56/20/46/346562046.db2.gz SENWAGLQRQCVER-UHFFFAOYSA-N 1 2 264.332 2.101 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ncccn1)C2 ZINC000599678514 346562049 /nfs/dbraw/zinc/56/20/49/346562049.db2.gz SENWAGLQRQCVER-UHFFFAOYSA-N 1 2 264.332 2.101 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)n1 ZINC000602676987 347139389 /nfs/dbraw/zinc/13/93/89/347139389.db2.gz OYNQZTSUZLYYMF-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)n1 ZINC000602676987 347139392 /nfs/dbraw/zinc/13/93/92/347139392.db2.gz OYNQZTSUZLYYMF-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO C[C@@H](O)[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602700090 347155279 /nfs/dbraw/zinc/15/52/79/347155279.db2.gz RSWPINLFVNEOKU-BDJLRTHQSA-N 1 2 285.322 2.304 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](CC)CO1 ZINC000602700764 347156800 /nfs/dbraw/zinc/15/68/00/347156800.db2.gz WFCYVWUPXBQSAV-LSDHHAIUSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H](CC)CO1 ZINC000602700764 347156803 /nfs/dbraw/zinc/15/68/03/347156803.db2.gz WFCYVWUPXBQSAV-LSDHHAIUSA-N 1 2 259.353 2.343 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](COC)Cc1ccccc1)C(=O)OC ZINC000602733624 347176653 /nfs/dbraw/zinc/17/66/53/347176653.db2.gz KCEHTZKTRQLENI-CVEARBPZSA-N 1 2 291.391 2.342 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccn(C(C)C)n1)C(=O)OC ZINC000602735401 347178471 /nfs/dbraw/zinc/17/84/71/347178471.db2.gz WNCJJXBQBDFZKU-ZFWWWQNUSA-N 1 2 293.411 2.492 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccoc1)C(=O)OC ZINC000602735382 347178633 /nfs/dbraw/zinc/17/86/33/347178633.db2.gz WJEFCZTXTMRFKY-AAEUAGOBSA-N 1 2 251.326 2.308 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(F)c(F)c2)C[C@@H](C)N1CC#N ZINC000602858240 347226873 /nfs/dbraw/zinc/22/68/73/347226873.db2.gz QKXZWDZAJCOAFK-VXGBXAGGSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H](C)N1CC#N ZINC000602856926 347226894 /nfs/dbraw/zinc/22/68/94/347226894.db2.gz MVUIYZCTLMBBTC-STQMWFEESA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCc1ccccc1Cl ZINC000602861752 347229191 /nfs/dbraw/zinc/22/91/91/347229191.db2.gz IAMUPHHDYHGHGP-WDEREUQCSA-N 1 2 279.771 2.236 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000602863179 347229838 /nfs/dbraw/zinc/22/98/38/347229838.db2.gz LUVSYHZOAYPPSO-UTUOFQBUSA-N 1 2 277.343 2.283 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602863583 347230305 /nfs/dbraw/zinc/23/03/05/347230305.db2.gz ONIZICKHVRZWAO-INOYMQOOSA-N 1 2 289.423 2.352 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000602867521 347231300 /nfs/dbraw/zinc/23/13/00/347231300.db2.gz DPCKDPHJUXWAFX-KBPBESRZSA-N 1 2 284.363 2.214 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602977839 347263345 /nfs/dbraw/zinc/26/33/45/347263345.db2.gz HYWJVCAJICGVNM-IVMMDQJWSA-N 1 2 289.423 2.400 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602977839 347263348 /nfs/dbraw/zinc/26/33/48/347263348.db2.gz HYWJVCAJICGVNM-IVMMDQJWSA-N 1 2 289.423 2.400 20 30 CEEDLO N#C[C@@H]1CC[C@H](N2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000603006971 347271130 /nfs/dbraw/zinc/27/11/30/347271130.db2.gz SVBBAGGBWCRTDU-CVEARBPZSA-N 1 2 285.391 2.202 20 30 CEEDLO COC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000339290444 215069406 /nfs/dbraw/zinc/06/94/06/215069406.db2.gz OKSIPIZJQASMLA-GFCCVEGCSA-N 1 2 250.729 2.432 20 30 CEEDLO COC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000339290444 215069408 /nfs/dbraw/zinc/06/94/08/215069408.db2.gz OKSIPIZJQASMLA-GFCCVEGCSA-N 1 2 250.729 2.432 20 30 CEEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccoc1 ZINC000608833320 347622431 /nfs/dbraw/zinc/62/24/31/347622431.db2.gz LVJMKCZHHUSWRR-UHFFFAOYSA-N 1 2 297.358 2.290 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccoc1 ZINC000608833320 347622433 /nfs/dbraw/zinc/62/24/33/347622433.db2.gz LVJMKCZHHUSWRR-UHFFFAOYSA-N 1 2 297.358 2.290 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000610542953 347691060 /nfs/dbraw/zinc/69/10/60/347691060.db2.gz QELCJNDPPAMSJU-GDBMZVCRSA-N 1 2 272.396 2.308 20 30 CEEDLO Cc1cccc2c1ncc(C#N)c2NCc1[nH+]ccn1C ZINC000611370644 347770408 /nfs/dbraw/zinc/77/04/08/347770408.db2.gz SXQKMORSMSKRIP-UHFFFAOYSA-N 1 2 277.331 2.182 20 30 CEEDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611386368 347772092 /nfs/dbraw/zinc/77/20/92/347772092.db2.gz ISDXRRZPACDNQK-NSHDSACASA-N 1 2 282.347 2.467 20 30 CEEDLO N#CCCN1CC[NH+]([C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000611175279 347747641 /nfs/dbraw/zinc/74/76/41/347747641.db2.gz ZJMVPJYSAAGDAK-HNNXBMFYSA-N 1 2 291.345 2.483 20 30 CEEDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(CCC#N)CC1 ZINC000611500967 347786166 /nfs/dbraw/zinc/78/61/66/347786166.db2.gz AJDIFEYNWHONDW-ZDUSSCGKSA-N 1 2 284.363 2.420 20 30 CEEDLO COC[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccco1 ZINC000612477856 347891966 /nfs/dbraw/zinc/89/19/66/347891966.db2.gz FFADQUFUVUUWOS-CYBMUJFWSA-N 1 2 257.293 2.024 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000612584822 347904536 /nfs/dbraw/zinc/90/45/36/347904536.db2.gz BFZCGIAQJPZSGN-UHFFFAOYSA-N 1 2 250.298 2.096 20 30 CEEDLO CC[N@@H+](CC(=O)N1CCc2sccc2C1)C[C@@H](C)C#N ZINC000066424170 362865518 /nfs/dbraw/zinc/86/55/18/362865518.db2.gz RPINEQBXQNPZHU-LBPRGKRZSA-N 1 2 291.420 2.114 20 30 CEEDLO CC[N@H+](CC(=O)N1CCc2sccc2C1)C[C@@H](C)C#N ZINC000066424170 362865525 /nfs/dbraw/zinc/86/55/25/362865525.db2.gz RPINEQBXQNPZHU-LBPRGKRZSA-N 1 2 291.420 2.114 20 30 CEEDLO CCCC[N@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000066497007 362869153 /nfs/dbraw/zinc/86/91/53/362869153.db2.gz ITPTVBVVLDNDPH-UHFFFAOYSA-N 1 2 277.343 2.068 20 30 CEEDLO CCCC[N@@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000066497007 362869156 /nfs/dbraw/zinc/86/91/56/362869156.db2.gz ITPTVBVVLDNDPH-UHFFFAOYSA-N 1 2 277.343 2.068 20 30 CEEDLO C=CC[N@@H+](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000066559556 362872689 /nfs/dbraw/zinc/87/26/89/362872689.db2.gz ADSMFANBPUZMKT-INIZCTEOSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CC[N@H+](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000066559556 362872695 /nfs/dbraw/zinc/87/26/95/362872695.db2.gz ADSMFANBPUZMKT-INIZCTEOSA-N 1 2 293.432 2.479 20 30 CEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H]2c2cccc(F)c2)CCC1 ZINC000615227755 348302109 /nfs/dbraw/zinc/30/21/09/348302109.db2.gz MRCDVBPBEHNHID-AWEZNQCLSA-N 1 2 287.338 2.135 20 30 CEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)CCC1 ZINC000615227755 348302110 /nfs/dbraw/zinc/30/21/10/348302110.db2.gz MRCDVBPBEHNHID-AWEZNQCLSA-N 1 2 287.338 2.135 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000617778356 348788730 /nfs/dbraw/zinc/78/87/30/348788730.db2.gz DTNCGEDJYDXFGE-ZIAGYGMSSA-N 1 2 273.380 2.260 20 30 CEEDLO C=CCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCOCC1 ZINC000618252777 348907925 /nfs/dbraw/zinc/90/79/25/348907925.db2.gz XXFZNWALRQROKY-CYBMUJFWSA-N 1 2 277.368 2.076 20 30 CEEDLO C=C[C@H]([NH2+]C[C@@H](C)COc1ccccc1OC)C(=O)OC ZINC000619704207 349224794 /nfs/dbraw/zinc/22/47/94/349224794.db2.gz YNOHMYGXFTVLPG-OLZOCXBDSA-N 1 2 293.363 2.027 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000619717814 349227336 /nfs/dbraw/zinc/22/73/36/349227336.db2.gz MGHFTLKBHPYGFK-RISCZKNCSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000619717814 349227339 /nfs/dbraw/zinc/22/73/39/349227339.db2.gz MGHFTLKBHPYGFK-RISCZKNCSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000619718886 349227948 /nfs/dbraw/zinc/22/79/48/349227948.db2.gz GFNGCBPGBZQPFY-CHWSQXEVSA-N 1 2 297.395 2.158 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000619718886 349227950 /nfs/dbraw/zinc/22/79/50/349227950.db2.gz GFNGCBPGBZQPFY-CHWSQXEVSA-N 1 2 297.395 2.158 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000619720585 349228746 /nfs/dbraw/zinc/22/87/46/349228746.db2.gz SWTSXMDGTAUAKN-UKRRQHHQSA-N 1 2 275.348 2.115 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000619720585 349228749 /nfs/dbraw/zinc/22/87/49/349228749.db2.gz SWTSXMDGTAUAKN-UKRRQHHQSA-N 1 2 275.348 2.115 20 30 CEEDLO C=C[C@@H](C(=O)OC)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000619720541 349228940 /nfs/dbraw/zinc/22/89/40/349228940.db2.gz PUHSMCNSNSIPAC-HNNXBMFYSA-N 1 2 291.395 2.103 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000619720541 349228943 /nfs/dbraw/zinc/22/89/43/349228943.db2.gz PUHSMCNSNSIPAC-HNNXBMFYSA-N 1 2 291.395 2.103 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000619720583 349229232 /nfs/dbraw/zinc/22/92/32/349229232.db2.gz SWTSXMDGTAUAKN-DZGCQCFKSA-N 1 2 275.348 2.115 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000619720583 349229236 /nfs/dbraw/zinc/22/92/36/349229236.db2.gz SWTSXMDGTAUAKN-DZGCQCFKSA-N 1 2 275.348 2.115 20 30 CEEDLO N#Cc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1Cl ZINC000619747199 349232313 /nfs/dbraw/zinc/23/23/13/349232313.db2.gz KKZBINAKONLHIT-UHFFFAOYSA-N 1 2 294.145 2.271 20 30 CEEDLO N#Cc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1Cl ZINC000619747199 349232315 /nfs/dbraw/zinc/23/23/15/349232315.db2.gz KKZBINAKONLHIT-UHFFFAOYSA-N 1 2 294.145 2.271 20 30 CEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(C)cn1 ZINC000339708591 215308330 /nfs/dbraw/zinc/30/83/30/215308330.db2.gz GENCPSRRSJQPJP-UHFFFAOYSA-N 1 2 296.374 2.305 20 30 CEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C)cn1 ZINC000339708591 215308332 /nfs/dbraw/zinc/30/83/32/215308332.db2.gz GENCPSRRSJQPJP-UHFFFAOYSA-N 1 2 296.374 2.305 20 30 CEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc[nH+]cc1O ZINC000109891331 186278893 /nfs/dbraw/zinc/27/88/93/186278893.db2.gz LKGSMQMOENSAJJ-SNVBAGLBSA-N 1 2 283.287 2.065 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000628142727 350976568 /nfs/dbraw/zinc/97/65/68/350976568.db2.gz NOHIJWCAKYVYET-SOUVJXGZSA-N 1 2 285.391 2.464 20 30 CEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000070432362 363080579 /nfs/dbraw/zinc/08/05/79/363080579.db2.gz IMLPNLQVGXOMDG-UHFFFAOYSA-N 1 2 287.344 2.371 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](C3CCCCC3)C2)C1=O ZINC000337214407 366081713 /nfs/dbraw/zinc/08/17/13/366081713.db2.gz XLCDAUDFTOEUDP-JKSUJKDBSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](C3CCCCC3)C2)C1=O ZINC000337214407 366081709 /nfs/dbraw/zinc/08/17/09/366081709.db2.gz XLCDAUDFTOEUDP-JKSUJKDBSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CC[C@@H](CO)CNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631193546 352009839 /nfs/dbraw/zinc/00/98/39/352009839.db2.gz PWWJEQGNZVCJSB-LLVKDONJSA-N 1 2 274.368 2.100 20 30 CEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nccs3)C2)nc1 ZINC000292041316 198142448 /nfs/dbraw/zinc/14/24/48/198142448.db2.gz AOGINIGKALGNQE-GFCCVEGCSA-N 1 2 286.360 2.063 20 30 CEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nccs3)C2)nc1 ZINC000292041316 198142450 /nfs/dbraw/zinc/14/24/50/198142450.db2.gz AOGINIGKALGNQE-GFCCVEGCSA-N 1 2 286.360 2.063 20 30 CEEDLO C=C(C)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000154363248 188137528 /nfs/dbraw/zinc/13/75/28/188137528.db2.gz KECXKIOTVIYWHY-HNNXBMFYSA-N 1 2 290.432 2.469 20 30 CEEDLO CC(C)n1cnnc1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000292442345 198290058 /nfs/dbraw/zinc/29/00/58/198290058.db2.gz ONGMKHZWQIYSIF-UHFFFAOYSA-N 1 2 299.378 2.241 20 30 CEEDLO CC(C)n1cnnc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000292442345 198290059 /nfs/dbraw/zinc/29/00/59/198290059.db2.gz ONGMKHZWQIYSIF-UHFFFAOYSA-N 1 2 299.378 2.241 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[nH]1 ZINC000292543042 198327225 /nfs/dbraw/zinc/32/72/25/198327225.db2.gz QEXPIXDOXORFLB-UHFFFAOYSA-N 1 2 297.362 2.028 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000074220752 363311008 /nfs/dbraw/zinc/31/10/08/363311008.db2.gz KFMFKKPHKHBZEM-JKSUJKDBSA-N 1 2 294.358 2.181 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000338130207 366204937 /nfs/dbraw/zinc/20/49/37/366204937.db2.gz HUZJYPCRVUYPKR-UHFFFAOYSA-N 1 2 282.347 2.226 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000669933853 540049920 /nfs/dbraw/zinc/04/99/20/540049920.db2.gz DANIQVXDWWIBGA-LRDDRELGSA-N 1 2 284.359 2.299 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000669933853 540049922 /nfs/dbraw/zinc/04/99/22/540049922.db2.gz DANIQVXDWWIBGA-LRDDRELGSA-N 1 2 284.359 2.299 20 30 CEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000338262649 366260095 /nfs/dbraw/zinc/26/00/95/366260095.db2.gz SCOFHOBFHUZKAF-HOCLYGCPSA-N 1 2 288.391 2.246 20 30 CEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000338262649 366260101 /nfs/dbraw/zinc/26/01/01/366260101.db2.gz SCOFHOBFHUZKAF-HOCLYGCPSA-N 1 2 288.391 2.246 20 30 CEEDLO CO[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)C12CCC2 ZINC000575603433 366298669 /nfs/dbraw/zinc/29/86/69/366298669.db2.gz AESAMMSHNOITTK-KBPBESRZSA-N 1 2 257.337 2.053 20 30 CEEDLO N#Cc1cc(F)ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000338335160 366301592 /nfs/dbraw/zinc/30/15/92/366301592.db2.gz VRLKKZFLTYOSPX-UHFFFAOYSA-N 1 2 299.309 2.326 20 30 CEEDLO N#Cc1ccnc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)n1 ZINC000408457888 283222527 /nfs/dbraw/zinc/22/25/27/283222527.db2.gz RBNZYUBUHLLHMV-AWEZNQCLSA-N 1 2 294.362 2.292 20 30 CEEDLO CC1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)CC[S@]1=O ZINC000336305281 213145850 /nfs/dbraw/zinc/14/58/50/213145850.db2.gz DWERBNPFQLXOLV-HXUWFJFHSA-N 1 2 294.395 2.430 20 30 CEEDLO CC1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)CC[S@]1=O ZINC000336305281 213145853 /nfs/dbraw/zinc/14/58/53/213145853.db2.gz DWERBNPFQLXOLV-HXUWFJFHSA-N 1 2 294.395 2.430 20 30 CEEDLO COc1nccnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 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ZINC000571340699 299305282 /nfs/dbraw/zinc/30/52/82/299305282.db2.gz KRTVOOBDCJLPDK-UHFFFAOYSA-N 1 2 288.376 2.058 20 30 CEEDLO CCOc1ccc(C#N)cc1NCc1[nH+]ccn1C ZINC000176968231 189017583 /nfs/dbraw/zinc/01/75/83/189017583.db2.gz HRJKFEOMVTXBKZ-UHFFFAOYSA-N 1 2 256.309 2.303 20 30 CEEDLO C#CCN(Cc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000177269647 189040901 /nfs/dbraw/zinc/04/09/01/189040901.db2.gz GGIUIAWOMNLCFI-UHFFFAOYSA-N 1 2 257.312 2.195 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177957140 189081676 /nfs/dbraw/zinc/08/16/76/189081676.db2.gz FBIYROOCINLMFU-LLVKDONJSA-N 1 2 258.325 2.098 20 30 CEEDLO COC(=O)c1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000356348899 370670481 /nfs/dbraw/zinc/67/04/81/370670481.db2.gz WVBZRACOWDVKQO-UHFFFAOYSA-N 1 2 287.344 2.091 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](C)C2)cc(OC)c1O ZINC000179862416 189224521 /nfs/dbraw/zinc/22/45/21/189224521.db2.gz GAKBXIREVLSLBK-GFCCVEGCSA-N 1 2 277.364 2.350 20 30 CEEDLO C=CCc1cc(C[N@H+]2CCO[C@H](C)C2)cc(OC)c1O ZINC000179862416 189224522 /nfs/dbraw/zinc/22/45/22/189224522.db2.gz GAKBXIREVLSLBK-GFCCVEGCSA-N 1 2 277.364 2.350 20 30 CEEDLO C=CCOc1cccc(C[N@H+](CC)CCS(C)(=O)=O)c1 ZINC000180088345 189236383 /nfs/dbraw/zinc/23/63/83/189236383.db2.gz GNPAXNIBQYYQEO-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO C=CCOc1cccc(C[N@@H+](CC)CCS(C)(=O)=O)c1 ZINC000180088345 189236384 /nfs/dbraw/zinc/23/63/84/189236384.db2.gz GNPAXNIBQYYQEO-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO CC[N@H+](CC#CCOC)Cc1c(F)cccc1F ZINC000677133138 540983605 /nfs/dbraw/zinc/98/36/05/540983605.db2.gz JNHWPACMTMMZSE-UHFFFAOYSA-N 1 2 253.292 2.437 20 30 CEEDLO CC[N@@H+](CC#CCOC)Cc1c(F)cccc1F ZINC000677133138 540983608 /nfs/dbraw/zinc/98/36/08/540983608.db2.gz JNHWPACMTMMZSE-UHFFFAOYSA-N 1 2 253.292 2.437 20 30 CEEDLO CCC(CC)CN(CCC#N)C(=O)Cc1c[nH+]cn1C ZINC000580058230 366742133 /nfs/dbraw/zinc/74/21/33/366742133.db2.gz MOHGFZXJARHZDV-UHFFFAOYSA-N 1 2 276.384 2.141 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2ccsc2)C1 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365492775 /nfs/dbraw/zinc/49/27/75/365492775.db2.gz NNNQVYWEZDETOL-UHFFFAOYSA-N 1 2 272.739 2.493 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000121000747 365508978 /nfs/dbraw/zinc/50/89/78/365508978.db2.gz GDBHPCULDPPLIR-JTQLQIEISA-N 1 2 280.318 2.014 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000121000747 365508981 /nfs/dbraw/zinc/50/89/81/365508981.db2.gz GDBHPCULDPPLIR-JTQLQIEISA-N 1 2 280.318 2.014 20 30 CEEDLO Cc1occc1C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000340911445 367086048 /nfs/dbraw/zinc/08/60/48/367086048.db2.gz HYZHVJCJCPMXRD-UHFFFAOYSA-N 1 2 297.358 2.208 20 30 CEEDLO Cc1occc1C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000340911445 367086053 /nfs/dbraw/zinc/08/60/53/367086053.db2.gz HYZHVJCJCPMXRD-UHFFFAOYSA-N 1 2 297.358 2.208 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)CCC#N ZINC000583761862 367094155 /nfs/dbraw/zinc/09/41/55/367094155.db2.gz DRGRIJOFLMKCQX-NSHDSACASA-N 1 2 262.357 2.034 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)CCC#N ZINC000583761862 367094159 /nfs/dbraw/zinc/09/41/59/367094159.db2.gz DRGRIJOFLMKCQX-NSHDSACASA-N 1 2 262.357 2.034 20 30 CEEDLO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000170888450 367440933 /nfs/dbraw/zinc/44/09/33/367440933.db2.gz IYONPDCLLJCPFB-LBPRGKRZSA-N 1 2 283.335 2.213 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(CCC#N)CC1CC1 ZINC000171545474 367563159 /nfs/dbraw/zinc/56/31/59/367563159.db2.gz PRJRDFYMSZGSTC-UHFFFAOYSA-N 1 2 296.374 2.497 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000227768569 283951490 /nfs/dbraw/zinc/95/14/90/283951490.db2.gz WCVZSBZSJDMEIN-YGRLFVJLSA-N 1 2 258.321 2.160 20 30 CEEDLO Clc1ccccc1C#CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681604801 541571046 /nfs/dbraw/zinc/57/10/46/541571046.db2.gz IPEZHWSIEGELTD-CQSZACIVSA-N 1 2 286.766 2.230 20 30 CEEDLO Clc1ccccc1C#CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000681604801 541571050 /nfs/dbraw/zinc/57/10/50/541571050.db2.gz IPEZHWSIEGELTD-CQSZACIVSA-N 1 2 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20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)C1CC1 ZINC000274233913 373850729 /nfs/dbraw/zinc/85/07/29/373850729.db2.gz WXIATEYXFIVEKJ-UHFFFAOYSA-N 1 2 292.766 2.385 20 30 CEEDLO C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000274280682 373864231 /nfs/dbraw/zinc/86/42/31/373864231.db2.gz BLFKCTFJPIIETH-NSHDSACASA-N 1 2 285.307 2.411 20 30 CEEDLO Cc1nnc(N2CCC(c3c[nH]c[nH+]3)CC2)c(C#N)c1C ZINC000374202324 374510922 /nfs/dbraw/zinc/51/09/22/374510922.db2.gz PZZKBFVYIAMROR-UHFFFAOYSA-N 1 2 282.351 2.072 20 30 CEEDLO Cc1nnc(N2CCC(c3c[nH+]c[nH]3)CC2)c(C#N)c1C ZINC000374202324 374510928 /nfs/dbraw/zinc/51/09/28/374510928.db2.gz PZZKBFVYIAMROR-UHFFFAOYSA-N 1 2 282.351 2.072 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000277429833 374515989 /nfs/dbraw/zinc/51/59/89/374515989.db2.gz JLEVGERTMKQSPW-JLTOFOAXSA-N 1 2 293.432 2.452 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000277429833 374515999 /nfs/dbraw/zinc/51/59/99/374515999.db2.gz JLEVGERTMKQSPW-JLTOFOAXSA-N 1 2 293.432 2.452 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334245037 206249910 /nfs/dbraw/zinc/24/99/10/206249910.db2.gz DGPBORHEYQWJOP-ZDUSSCGKSA-N 1 2 284.281 2.447 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334245037 206249914 /nfs/dbraw/zinc/24/99/14/206249914.db2.gz DGPBORHEYQWJOP-ZDUSSCGKSA-N 1 2 284.281 2.447 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(CC(C)C)c2)n1 ZINC000279500236 374898152 /nfs/dbraw/zinc/89/81/52/374898152.db2.gz ZFIGTFQJEVXOIO-UHFFFAOYSA-N 1 2 299.422 2.391 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(CC(C)C)c2)n1 ZINC000279500236 374898161 /nfs/dbraw/zinc/89/81/61/374898161.db2.gz ZFIGTFQJEVXOIO-UHFFFAOYSA-N 1 2 299.422 2.391 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C#N)o2)n1 ZINC000279378902 374853622 /nfs/dbraw/zinc/85/36/22/374853622.db2.gz JVPILHDPASNNET-UHFFFAOYSA-N 1 2 268.320 2.003 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C#N)o2)n1 ZINC000279378902 374853628 /nfs/dbraw/zinc/85/36/28/374853628.db2.gz JVPILHDPASNNET-UHFFFAOYSA-N 1 2 268.320 2.003 20 30 CEEDLO Cc1nnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1C ZINC000378354697 375081913 /nfs/dbraw/zinc/08/19/13/375081913.db2.gz HUAFOMRSLPFFSN-UHFFFAOYSA-N 1 2 293.374 2.285 20 30 CEEDLO Cc1nnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1C ZINC000378354697 375081921 /nfs/dbraw/zinc/08/19/21/375081921.db2.gz HUAFOMRSLPFFSN-UHFFFAOYSA-N 1 2 293.374 2.285 20 30 CEEDLO C=CCN(CC=C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280724986 375298372 /nfs/dbraw/zinc/29/83/72/375298372.db2.gz CNNMXVYNKAKZAX-UHFFFAOYSA-N 1 2 272.339 2.164 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000280861460 375342901 /nfs/dbraw/zinc/34/29/01/375342901.db2.gz ATVVHQSQCYOSAN-CYBMUJFWSA-N 1 2 276.384 2.302 20 30 CEEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)C ZINC000399109505 375358536 /nfs/dbraw/zinc/35/85/36/375358536.db2.gz JVZGHTVNCFTVEH-AWEZNQCLSA-N 1 2 260.337 2.040 20 30 CEEDLO Cc1ccc2c(cccc2OC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000414152076 375798341 /nfs/dbraw/zinc/79/83/41/375798341.db2.gz QOMIQKGZEDZZAX-AWEZNQCLSA-N 1 2 299.374 2.128 20 30 CEEDLO Cc1ccc2c(cccc2OC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000414152076 375798351 /nfs/dbraw/zinc/79/83/51/375798351.db2.gz QOMIQKGZEDZZAX-AWEZNQCLSA-N 1 2 299.374 2.128 20 30 CEEDLO CCCc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414153594 375799677 /nfs/dbraw/zinc/79/96/77/375799677.db2.gz YINRCHCRHOZKBK-HNNXBMFYSA-N 1 2 276.380 2.224 20 30 CEEDLO CCCc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414153594 375799682 /nfs/dbraw/zinc/79/96/82/375799682.db2.gz YINRCHCRHOZKBK-HNNXBMFYSA-N 1 2 276.380 2.224 20 30 CEEDLO N#Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccn1 ZINC000286275798 375895288 /nfs/dbraw/zinc/89/52/88/375895288.db2.gz QWSDTTDWDIEBJV-ZDUSSCGKSA-N 1 2 265.320 2.039 20 30 CEEDLO CC(C)[N@H+](Cc1cnn(C)n1)Cc1ccc(C#N)cc1 ZINC000289695533 376449637 /nfs/dbraw/zinc/44/96/37/376449637.db2.gz FCXQDXODFKEJNA-UHFFFAOYSA-N 1 2 269.352 2.097 20 30 CEEDLO CC(C)[N@@H+](Cc1cnn(C)n1)Cc1ccc(C#N)cc1 ZINC000289695533 376449647 /nfs/dbraw/zinc/44/96/47/376449647.db2.gz FCXQDXODFKEJNA-UHFFFAOYSA-N 1 2 269.352 2.097 20 30 CEEDLO CCN(CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915733 376736211 /nfs/dbraw/zinc/73/62/11/376736211.db2.gz MLEYFHLFTIJSSW-UHFFFAOYSA-N 1 2 287.407 2.254 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cccc(CN2CCOCC2)c1 ZINC000420915733 376736216 /nfs/dbraw/zinc/73/62/16/376736216.db2.gz MLEYFHLFTIJSSW-UHFFFAOYSA-N 1 2 287.407 2.254 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cccc(CN2CCOCC2)c1 ZINC000420915733 376736221 /nfs/dbraw/zinc/73/62/21/376736221.db2.gz MLEYFHLFTIJSSW-UHFFFAOYSA-N 1 2 287.407 2.254 20 30 CEEDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)n1 ZINC000316661189 376803108 /nfs/dbraw/zinc/80/31/08/376803108.db2.gz YHEFXXMHQRNJIW-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)n1 ZINC000316661189 376803113 /nfs/dbraw/zinc/80/31/13/376803113.db2.gz YHEFXXMHQRNJIW-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1CC1 ZINC000328778646 376898054 /nfs/dbraw/zinc/89/80/54/376898054.db2.gz DQYFKVLPPMYDLB-UHFFFAOYSA-N 1 2 286.335 2.398 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)NCCNc1cccc[nH+]1 ZINC000562200866 376849036 /nfs/dbraw/zinc/84/90/36/376849036.db2.gz RFQQJPIBFQOZAA-UHFFFAOYSA-N 1 2 289.383 2.123 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C[C@@H]1CCOC1)CCC2 ZINC000328806692 376901895 /nfs/dbraw/zinc/90/18/95/376901895.db2.gz LYHOMQVRQVRPSZ-STQMWFEESA-N 1 2 277.368 2.452 20 30 CEEDLO CC(C)(C)c1nnc(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC000562413197 376889078 /nfs/dbraw/zinc/88/90/78/376889078.db2.gz QREDQWIDWIPAKW-UHFFFAOYSA-N 1 2 261.373 2.228 20 30 CEEDLO CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329614265 376973832 /nfs/dbraw/zinc/97/38/32/376973832.db2.gz PCLWUYLWZPXLPE-MJVIPROJSA-N 1 2 277.368 2.285 20 30 CEEDLO CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329614265 376973839 /nfs/dbraw/zinc/97/38/39/376973839.db2.gz PCLWUYLWZPXLPE-MJVIPROJSA-N 1 2 277.368 2.285 20 30 CEEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)CCc1c[nH+]cn1C ZINC000328836693 376907623 /nfs/dbraw/zinc/90/76/23/376907623.db2.gz MUDTXGSHWGATPC-YPMHNXCESA-N 1 2 265.357 2.267 20 30 CEEDLO CSC1(CNC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC000328857012 376910588 /nfs/dbraw/zinc/91/05/88/376910588.db2.gz ULCCMWHGTQUETJ-UHFFFAOYSA-N 1 2 297.424 2.221 20 30 CEEDLO C[C@@H]1C[C@@H](C(=O)NCCNc2cccc[nH+]2)CCC1=O ZINC000328956278 376927430 /nfs/dbraw/zinc/92/74/30/376927430.db2.gz ZEDCEQUJIYRSFE-NEPJUHHUSA-N 1 2 275.352 2.455 20 30 CEEDLO Cc1nc(C2([NH2+]CC(=O)NCC3CC3)CCCCC2)no1 ZINC000329386694 376957612 /nfs/dbraw/zinc/95/76/12/376957612.db2.gz PTYSOWGYGGPQJS-UHFFFAOYSA-N 1 2 292.383 2.494 20 30 CEEDLO C[C@@H]1CCSCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329539305 376967017 /nfs/dbraw/zinc/96/70/17/376967017.db2.gz CKCBAJXYKUPZQP-MNOVXSKESA-N 1 2 294.424 2.008 20 30 CEEDLO C[C@@H]1CCSCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329539305 376967024 /nfs/dbraw/zinc/96/70/24/376967024.db2.gz CKCBAJXYKUPZQP-MNOVXSKESA-N 1 2 294.424 2.008 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000562774364 376998028 /nfs/dbraw/zinc/99/80/28/376998028.db2.gz FRNCTNRTKIMAMY-KRWDZBQOSA-N 1 2 272.392 2.455 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000562774364 376998034 /nfs/dbraw/zinc/99/80/34/376998034.db2.gz FRNCTNRTKIMAMY-KRWDZBQOSA-N 1 2 272.392 2.455 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000293209484 377472920 /nfs/dbraw/zinc/47/29/20/377472920.db2.gz RDZLTNIGPCJOPM-CQSZACIVSA-N 1 2 258.365 2.383 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000293209484 377472927 /nfs/dbraw/zinc/47/29/27/377472927.db2.gz RDZLTNIGPCJOPM-CQSZACIVSA-N 1 2 258.365 2.383 20 30 CEEDLO C=CCN(C)CC[N@@H+](CC)Cc1ccc(OC)nc1 ZINC000429719237 377519614 /nfs/dbraw/zinc/51/96/14/377519614.db2.gz OLFCEKYSTNWTIV-UHFFFAOYSA-N 1 2 263.385 2.030 20 30 CEEDLO C=CCN(C)CC[N@H+](CC)Cc1ccc(OC)nc1 ZINC000429719237 377519620 /nfs/dbraw/zinc/51/96/20/377519620.db2.gz OLFCEKYSTNWTIV-UHFFFAOYSA-N 1 2 263.385 2.030 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430244947 377527998 /nfs/dbraw/zinc/52/79/98/377527998.db2.gz RGZKSTSMTGPNLH-UHFFFAOYSA-N 1 2 280.324 2.238 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430244947 377528006 /nfs/dbraw/zinc/52/80/06/377528006.db2.gz RGZKSTSMTGPNLH-UHFFFAOYSA-N 1 2 280.324 2.238 20 30 CEEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000565049073 377545491 /nfs/dbraw/zinc/54/54/91/377545491.db2.gz YJYVYUKJKUZEKJ-FZMZJTMJSA-N 1 2 262.357 2.279 20 30 CEEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccc(Cl)c1 ZINC000565659555 377683730 /nfs/dbraw/zinc/68/37/30/377683730.db2.gz FCGFPGDNVIJRBF-ABAIWWIYSA-N 1 2 293.798 2.404 20 30 CEEDLO Cc1cc(N2CCC(c3ccncn3)CC2)c(C#N)c[nH+]1 ZINC000333396585 377764140 /nfs/dbraw/zinc/76/41/40/377764140.db2.gz NBQYCCIARBTIKV-UHFFFAOYSA-N 1 2 279.347 2.436 20 30 CEEDLO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433320037 377789717 /nfs/dbraw/zinc/78/97/17/377789717.db2.gz KLPFEZRSXKJWCA-GFCCVEGCSA-N 1 2 253.390 2.019 20 30 CEEDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433320037 377789722 /nfs/dbraw/zinc/78/97/22/377789722.db2.gz KLPFEZRSXKJWCA-GFCCVEGCSA-N 1 2 253.390 2.019 20 30 CEEDLO C=CCC(F)(F)C(=O)NCCCNc1cccc[nH+]1 ZINC000294541515 377996092 /nfs/dbraw/zinc/99/60/92/377996092.db2.gz APJRDAURNONKFD-UHFFFAOYSA-N 1 2 269.295 2.211 20 30 CEEDLO CCCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000446766932 378085895 /nfs/dbraw/zinc/08/58/95/378085895.db2.gz TYJURKMYGGKTKZ-AGIUHOORSA-N 1 2 252.358 2.390 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444690097 378077789 /nfs/dbraw/zinc/07/77/89/378077789.db2.gz ISTUBZWALYUFEV-JTQLQIEISA-N 1 2 268.307 2.087 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444690097 378077791 /nfs/dbraw/zinc/07/77/91/378077791.db2.gz ISTUBZWALYUFEV-JTQLQIEISA-N 1 2 268.307 2.087 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+](CC)C[C@@H](C)C#N)[nH]c1C ZINC000449020412 378196077 /nfs/dbraw/zinc/19/60/77/378196077.db2.gz YZSZGZVHMZWPIQ-NSHDSACASA-N 1 2 277.368 2.481 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+](CC)C[C@@H](C)C#N)[nH]c1C ZINC000449020412 378196088 /nfs/dbraw/zinc/19/60/88/378196088.db2.gz YZSZGZVHMZWPIQ-NSHDSACASA-N 1 2 277.368 2.481 20 30 CEEDLO COc1ccc(-n2cc(C[N@H+](C)C[C@H](C)C#N)cn2)cc1 ZINC000449013165 378196129 /nfs/dbraw/zinc/19/61/29/378196129.db2.gz BFTSFQBMHCKRRN-CYBMUJFWSA-N 1 2 284.363 2.472 20 30 CEEDLO COc1ccc(-n2cc(C[N@@H+](C)C[C@H](C)C#N)cn2)cc1 ZINC000449013165 378196135 /nfs/dbraw/zinc/19/61/35/378196135.db2.gz BFTSFQBMHCKRRN-CYBMUJFWSA-N 1 2 284.363 2.472 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000448698541 378180897 /nfs/dbraw/zinc/18/08/97/378180897.db2.gz QKDZAVJNRCSCAG-SJCJKPOMSA-N 1 2 296.374 2.401 20 30 CEEDLO CC#CCN(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000296361180 378503421 /nfs/dbraw/zinc/50/34/21/378503421.db2.gz DOEOJXZQAXHVQJ-UHFFFAOYSA-N 1 2 256.309 2.130 20 30 CEEDLO C=CCC(F)(F)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000296682943 378615464 /nfs/dbraw/zinc/61/54/64/378615464.db2.gz IOANLFVSAVYCKU-VIFPVBQESA-N 1 2 257.284 2.434 20 30 CEEDLO C=CCOc1ccc(C[NH2+]Cc2nn(CC)nc2C)cc1 ZINC000296934790 378659009 /nfs/dbraw/zinc/65/90/09/378659009.db2.gz SNOUOARRWHQHGV-UHFFFAOYSA-N 1 2 286.379 2.461 20 30 CEEDLO C[C@H](O)C[N@H+](CCCOc1cccc(C#N)c1)CC(F)F ZINC000451828825 378724617 /nfs/dbraw/zinc/72/46/17/378724617.db2.gz FSVQWDDOJRWEEN-LBPRGKRZSA-N 1 2 298.333 2.275 20 30 CEEDLO C[C@H](O)C[N@@H+](CCCOc1cccc(C#N)c1)CC(F)F ZINC000451828825 378724625 /nfs/dbraw/zinc/72/46/25/378724625.db2.gz FSVQWDDOJRWEEN-LBPRGKRZSA-N 1 2 298.333 2.275 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000298574600 378770546 /nfs/dbraw/zinc/77/05/46/378770546.db2.gz QPJORECQQLSYGO-CQSZACIVSA-N 1 2 297.358 2.445 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000298574600 378770553 /nfs/dbraw/zinc/77/05/53/378770553.db2.gz QPJORECQQLSYGO-CQSZACIVSA-N 1 2 297.358 2.445 20 30 CEEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000299400479 378983955 /nfs/dbraw/zinc/98/39/55/378983955.db2.gz VQQUFGMOPRLYCO-ZDUSSCGKSA-N 1 2 297.358 2.460 20 30 CEEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000299400479 378983966 /nfs/dbraw/zinc/98/39/66/378983966.db2.gz VQQUFGMOPRLYCO-ZDUSSCGKSA-N 1 2 297.358 2.460 20 30 CEEDLO C=CCCCN(C)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000502374951 379067423 /nfs/dbraw/zinc/06/74/23/379067423.db2.gz NXRCIPCAWUGQKN-UHFFFAOYSA-N 1 2 263.389 2.463 20 30 CEEDLO C=CCCCN(C)c1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000502374951 379067427 /nfs/dbraw/zinc/06/74/27/379067427.db2.gz NXRCIPCAWUGQKN-UHFFFAOYSA-N 1 2 263.389 2.463 20 30 CEEDLO N#Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC000278911871 194208888 /nfs/dbraw/zinc/20/88/88/194208888.db2.gz QTURBFKTEAUHBL-UHFFFAOYSA-N 1 2 298.321 2.371 20 30 CEEDLO N#Cc1ccc(CN2CC[C@H](Nc3cccc[nH+]3)C2=O)cc1 ZINC000302722484 379436872 /nfs/dbraw/zinc/43/68/72/379436872.db2.gz LZAQHSJMPZVWEO-HNNXBMFYSA-N 1 2 292.342 2.166 20 30 CEEDLO C=CCOCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266677749 190274494 /nfs/dbraw/zinc/27/44/94/190274494.db2.gz RCEMNCIWRQOQDW-UHFFFAOYSA-N 1 2 259.309 2.256 20 30 CEEDLO N#Cc1nc(NCc2ccc(N)[nH+]c2)ccc1Cl ZINC000302839531 379462208 /nfs/dbraw/zinc/46/22/08/379462208.db2.gz ZJDZDBZBBIIEMO-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO C=C[C@@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302919464 379480211 /nfs/dbraw/zinc/48/02/11/379480211.db2.gz YLIAHGHREFPZII-SNVBAGLBSA-N 1 2 250.371 2.016 20 30 CEEDLO C=C[C@@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302919464 379480218 /nfs/dbraw/zinc/48/02/18/379480218.db2.gz YLIAHGHREFPZII-SNVBAGLBSA-N 1 2 250.371 2.016 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266894489 190288453 /nfs/dbraw/zinc/28/84/53/190288453.db2.gz DWCRABLJSGZGGT-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266894489 190288454 /nfs/dbraw/zinc/28/84/54/190288454.db2.gz DWCRABLJSGZGGT-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000305091787 379631536 /nfs/dbraw/zinc/63/15/36/379631536.db2.gz PYNLDFWFOKIXLX-JVWICGRDSA-N 1 2 269.385 2.025 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccsc2C1 ZINC000527297718 379744032 /nfs/dbraw/zinc/74/40/32/379744032.db2.gz DZLCNVURUJTGIC-LLVKDONJSA-N 1 2 289.404 2.057 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccsc2C1 ZINC000527297718 379744034 /nfs/dbraw/zinc/74/40/34/379744034.db2.gz DZLCNVURUJTGIC-LLVKDONJSA-N 1 2 289.404 2.057 20 30 CEEDLO Cc1c[nH+]cn1CC(=O)[C@H](C#N)c1nc2c(cccc2C)[nH]1 ZINC000528953342 380145867 /nfs/dbraw/zinc/14/58/67/380145867.db2.gz JFKSIWNCZNXDLN-LBPRGKRZSA-N 1 2 293.330 2.253 20 30 CEEDLO Cc1c[nH+]cn1CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000528953342 380145874 /nfs/dbraw/zinc/14/58/74/380145874.db2.gz JFKSIWNCZNXDLN-LBPRGKRZSA-N 1 2 293.330 2.253 20 30 CEEDLO COC(=O)[C@@](C)([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000542258818 380302842 /nfs/dbraw/zinc/30/28/42/380302842.db2.gz DXVZROIDRZDPMR-INIZCTEOSA-N 1 2 272.348 2.184 20 30 CEEDLO COc1nc2ccccc2cc1C[NH2+]C[C@H](C)C#N ZINC000542692430 380307805 /nfs/dbraw/zinc/30/78/05/380307805.db2.gz PJBFBLBDYMRRSK-LLVKDONJSA-N 1 2 255.321 2.493 20 30 CEEDLO C=C[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000334498432 380488230 /nfs/dbraw/zinc/48/82/30/380488230.db2.gz KYJZVJKDVVIRGN-MNOVXSKESA-N 1 2 262.357 2.087 20 30 CEEDLO Cc1cc(NC(=O)c2cscc2C#N)c(C)c[nH+]1 ZINC000551721138 380652106 /nfs/dbraw/zinc/65/21/06/380652106.db2.gz FBFZWBJWJCCCFY-UHFFFAOYSA-N 1 2 257.318 2.306 20 30 CEEDLO CCc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000555482797 380828410 /nfs/dbraw/zinc/82/84/10/380828410.db2.gz MANMGOZYTGIEQQ-KRWDZBQOSA-N 1 2 287.407 2.142 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000556218840 380884808 /nfs/dbraw/zinc/88/48/08/380884808.db2.gz LHZLUJLEDJWOGX-SNVBAGLBSA-N 1 2 278.318 2.294 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000279243302 194349331 /nfs/dbraw/zinc/34/93/31/194349331.db2.gz KJWOLQIYMKYNQB-UHFFFAOYSA-N 1 2 277.368 2.254 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000279243302 194349333 /nfs/dbraw/zinc/34/93/33/194349333.db2.gz KJWOLQIYMKYNQB-UHFFFAOYSA-N 1 2 277.368 2.254 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cc2ccccc2o1 ZINC000493751269 381144542 /nfs/dbraw/zinc/14/45/42/381144542.db2.gz HXCFZKYYWZOXQU-IJDCCNJMSA-N 1 2 297.358 2.406 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000494658833 381161920 /nfs/dbraw/zinc/16/19/20/381161920.db2.gz ZUIFZXXUCUZJQU-CQSZACIVSA-N 1 2 288.395 2.398 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496470645 381214558 /nfs/dbraw/zinc/21/45/58/381214558.db2.gz CAWQSVDOMQQHTI-LBPRGKRZSA-N 1 2 272.776 2.482 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496470645 381214569 /nfs/dbraw/zinc/21/45/69/381214569.db2.gz CAWQSVDOMQQHTI-LBPRGKRZSA-N 1 2 272.776 2.482 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2C#N)c2[nH+]ccn21 ZINC000575223515 299557929 /nfs/dbraw/zinc/55/79/29/299557929.db2.gz DNAXPYZXHQYYLY-TVQRCGJNSA-N 1 2 284.294 2.330 20 30 CEEDLO C#CC[N@@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC000192231942 533109430 /nfs/dbraw/zinc/10/94/30/533109430.db2.gz HYNTYRKWEVOYIR-UHFFFAOYSA-N 1 2 251.713 2.192 20 30 CEEDLO C#CC[N@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC000192231942 533109433 /nfs/dbraw/zinc/10/94/33/533109433.db2.gz HYNTYRKWEVOYIR-UHFFFAOYSA-N 1 2 251.713 2.192 20 30 CEEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000237507542 533197686 /nfs/dbraw/zinc/19/76/86/533197686.db2.gz ZBAQRZVHFYBBMN-ZDUSSCGKSA-N 1 2 296.374 2.087 20 30 CEEDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC ZINC000281310473 195192009 /nfs/dbraw/zinc/19/20/09/195192009.db2.gz KMXRRXUSSUHZLT-LBPRGKRZSA-N 1 2 290.363 2.340 20 30 CEEDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC ZINC000281310473 195192012 /nfs/dbraw/zinc/19/20/12/195192012.db2.gz KMXRRXUSSUHZLT-LBPRGKRZSA-N 1 2 290.363 2.340 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000116939553 260006895 /nfs/dbraw/zinc/00/68/95/260006895.db2.gz FLPVMEFRBSBOPH-LBPRGKRZSA-N 1 2 285.351 2.031 20 30 CEEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191939220 130333481 /nfs/dbraw/zinc/33/34/81/130333481.db2.gz SMLLHLWXWJXYSG-MRXNPFEDSA-N 1 2 286.375 2.249 20 30 CEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191939220 130333483 /nfs/dbraw/zinc/33/34/83/130333483.db2.gz SMLLHLWXWJXYSG-MRXNPFEDSA-N 1 2 286.375 2.249 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249745949 394559814 /nfs/dbraw/zinc/55/98/14/394559814.db2.gz MNWYOELVWRAPMR-CVEARBPZSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249745949 394559819 /nfs/dbraw/zinc/55/98/19/394559819.db2.gz MNWYOELVWRAPMR-CVEARBPZSA-N 1 2 299.374 2.140 20 30 CEEDLO CO[C@@H]1CCC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000328994964 394559885 /nfs/dbraw/zinc/55/98/85/394559885.db2.gz GJCWUKLKODDROJ-RWMBFGLXSA-N 1 2 277.368 2.360 20 30 CEEDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCc2c[nH]nc21 ZINC000329584918 394574899 /nfs/dbraw/zinc/57/48/99/394574899.db2.gz XXQUNWHWPYONCC-JTQLQIEISA-N 1 2 259.313 2.100 20 30 CEEDLO Cc1nsc(C)c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328913755 394556142 /nfs/dbraw/zinc/55/61/42/394556142.db2.gz IJSKSPWUCRWFJB-VIFPVBQESA-N 1 2 276.365 2.345 20 30 CEEDLO Cc1nsc(C)c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328913755 394556145 /nfs/dbraw/zinc/55/61/45/394556145.db2.gz IJSKSPWUCRWFJB-VIFPVBQESA-N 1 2 276.365 2.345 20 30 CEEDLO CC1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC000328916028 394556519 /nfs/dbraw/zinc/55/65/19/394556519.db2.gz AEFATLDNMDXDQU-LBPRGKRZSA-N 1 2 277.368 2.219 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000330496445 394615628 /nfs/dbraw/zinc/61/56/28/394615628.db2.gz YBBXUQOINNESJL-NSHDSACASA-N 1 2 278.356 2.285 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000330496445 394615631 /nfs/dbraw/zinc/61/56/31/394615631.db2.gz YBBXUQOINNESJL-NSHDSACASA-N 1 2 278.356 2.285 20 30 CEEDLO C=C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000264432244 394639964 /nfs/dbraw/zinc/63/99/64/394639964.db2.gz CNRLAAMXWYEBHH-MRXNPFEDSA-N 1 2 281.359 2.316 20 30 CEEDLO N#CC[N@@H+](C[C@@H](O)COCc1cccs1)C1CCCC1 ZINC000265691072 394652198 /nfs/dbraw/zinc/65/21/98/394652198.db2.gz HCEPWMFUEDOWDI-CQSZACIVSA-N 1 2 294.420 2.394 20 30 CEEDLO N#CC[N@H+](C[C@@H](O)COCc1cccs1)C1CCCC1 ZINC000265691072 394652203 /nfs/dbraw/zinc/65/22/03/394652203.db2.gz HCEPWMFUEDOWDI-CQSZACIVSA-N 1 2 294.420 2.394 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000271146081 394748822 /nfs/dbraw/zinc/74/88/22/394748822.db2.gz YRMGSRIXPNGSQK-CYBMUJFWSA-N 1 2 258.369 2.273 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000271146081 394748825 /nfs/dbraw/zinc/74/88/25/394748825.db2.gz YRMGSRIXPNGSQK-CYBMUJFWSA-N 1 2 258.369 2.273 20 30 CEEDLO COCC[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000267987309 394687370 /nfs/dbraw/zinc/68/73/70/394687370.db2.gz IJRBJGBWXVETIN-VIFPVBQESA-N 1 2 256.733 2.402 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)C1=O ZINC000335165886 394746201 /nfs/dbraw/zinc/74/62/01/394746201.db2.gz GPAXXGJRQMSTFJ-AWEZNQCLSA-N 1 2 276.767 2.443 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)C1=O ZINC000335165886 394746206 /nfs/dbraw/zinc/74/62/06/394746206.db2.gz GPAXXGJRQMSTFJ-AWEZNQCLSA-N 1 2 276.767 2.443 20 30 CEEDLO CN(C)C(=O)C1(C/[NH+]=C/c2ccccc2O)CCCC1 ZINC000113006271 394747343 /nfs/dbraw/zinc/74/73/43/394747343.db2.gz LZYRIJIDCFVUOM-GZTJUZNOSA-N 1 2 274.364 2.460 20 30 CEEDLO C=CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359393229 394751252 /nfs/dbraw/zinc/75/12/52/394751252.db2.gz VSJJKFPBKRYEDY-UHFFFAOYSA-N 1 2 280.331 2.414 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000359704099 394772291 /nfs/dbraw/zinc/77/22/91/394772291.db2.gz CXOWXHOGEKFNCA-LBPRGKRZSA-N 1 2 259.353 2.061 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1F ZINC000335744492 394795681 /nfs/dbraw/zinc/79/56/81/394795681.db2.gz MYHPCUKKFHPOJU-AWEZNQCLSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2C2CC2)c1F ZINC000335744492 394795686 /nfs/dbraw/zinc/79/56/86/394795686.db2.gz MYHPCUKKFHPOJU-AWEZNQCLSA-N 1 2 260.312 2.308 20 30 CEEDLO C#CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000274316360 394796802 /nfs/dbraw/zinc/79/68/02/394796802.db2.gz NSTTWRFPRDOQRO-UHFFFAOYSA-N 1 2 278.283 2.340 20 30 CEEDLO C#CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000274316360 394796806 /nfs/dbraw/zinc/79/68/06/394796806.db2.gz NSTTWRFPRDOQRO-UHFFFAOYSA-N 1 2 278.283 2.340 20 30 CEEDLO C=CCN(CCOC)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000361090812 394814714 /nfs/dbraw/zinc/81/47/14/394814714.db2.gz FLRNDJOSYMICLA-UHFFFAOYSA-N 1 2 299.374 2.455 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C[C@H](C)c1ccccc1)C(=O)OC ZINC000361110332 394815885 /nfs/dbraw/zinc/81/58/85/394815885.db2.gz PFSDUJORAUSIOI-DZGCQCFKSA-N 1 2 277.364 2.124 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)n(C)c1C ZINC000361182352 394818735 /nfs/dbraw/zinc/81/87/35/394818735.db2.gz YZGFIHVIXURCBC-NSHDSACASA-N 1 2 289.379 2.244 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)n(C)c1C ZINC000361182352 394818738 /nfs/dbraw/zinc/81/87/38/394818738.db2.gz YZGFIHVIXURCBC-NSHDSACASA-N 1 2 289.379 2.244 20 30 CEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C(F)F)CC2)cc1 ZINC000362730487 394867029 /nfs/dbraw/zinc/86/70/29/394867029.db2.gz XTYQTSXUJGSCJK-ZDUSSCGKSA-N 1 2 293.317 2.062 20 30 CEEDLO C[C@H](N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)C(F)(F)F ZINC000339013708 394936321 /nfs/dbraw/zinc/93/63/21/394936321.db2.gz MYHPKUBPRIZZTA-TUAOUCFPSA-N 1 2 275.318 2.247 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366423609 394944406 /nfs/dbraw/zinc/94/44/06/394944406.db2.gz URFLOGMISMSKNR-LLVKDONJSA-N 1 2 265.806 2.028 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366423609 394944411 /nfs/dbraw/zinc/94/44/11/394944411.db2.gz URFLOGMISMSKNR-LLVKDONJSA-N 1 2 265.806 2.028 20 30 CEEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000339200174 394950786 /nfs/dbraw/zinc/95/07/86/394950786.db2.gz HQZQRRCLBZOZKZ-AAEUAGOBSA-N 1 2 287.319 2.481 20 30 CEEDLO N#C[C@H]1CC[C@H]([N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000339200174 394950789 /nfs/dbraw/zinc/95/07/89/394950789.db2.gz HQZQRRCLBZOZKZ-AAEUAGOBSA-N 1 2 287.319 2.481 20 30 CEEDLO C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000152941198 394999663 /nfs/dbraw/zinc/99/96/63/394999663.db2.gz QVZFJJFBOKZKIL-GOEBONIOSA-N 1 2 265.445 2.099 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000286411638 395021530 /nfs/dbraw/zinc/02/15/30/395021530.db2.gz LVKWKQIEEFBOBV-UHFFFAOYSA-N 1 2 288.391 2.493 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342871627 395025088 /nfs/dbraw/zinc/02/50/88/395025088.db2.gz VNCFGFCGHJMZOQ-ZDUSSCGKSA-N 1 2 282.347 2.494 20 30 CEEDLO C#CC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1 ZINC000285701916 394962155 /nfs/dbraw/zinc/96/21/55/394962155.db2.gz OIIHEAQMIFZDRL-UHFFFAOYSA-N 1 2 293.432 2.335 20 30 CEEDLO C#CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1 ZINC000285701916 394962158 /nfs/dbraw/zinc/96/21/58/394962158.db2.gz OIIHEAQMIFZDRL-UHFFFAOYSA-N 1 2 293.432 2.335 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000339759536 394971120 /nfs/dbraw/zinc/97/11/20/394971120.db2.gz GZNILOVEQQCDIG-UHFFFAOYSA-N 1 2 250.386 2.123 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000339759536 394971126 /nfs/dbraw/zinc/97/11/26/394971126.db2.gz GZNILOVEQQCDIG-UHFFFAOYSA-N 1 2 250.386 2.123 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000339766918 394971241 /nfs/dbraw/zinc/97/12/41/394971241.db2.gz XJHUJSFKWSTWTM-UHFFFAOYSA-N 1 2 262.378 2.302 20 30 CEEDLO 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291.395 2.090 20 30 CEEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373793336 395066315 /nfs/dbraw/zinc/06/63/15/395066315.db2.gz SWKIHXWHFPGEPW-GOEBONIOSA-N 1 2 291.395 2.090 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000374045680 395071011 /nfs/dbraw/zinc/07/10/11/395071011.db2.gz YTRKWFHNXJATLV-IUODEOHRSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374045680 395071015 /nfs/dbraw/zinc/07/10/15/395071015.db2.gz YTRKWFHNXJATLV-IUODEOHRSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1c(F)cccc1F ZINC000347006178 395116414 /nfs/dbraw/zinc/11/64/14/395116414.db2.gz FTRATQDJWDMNQQ-SNVBAGLBSA-N 1 2 293.317 2.178 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000376007348 395107075 /nfs/dbraw/zinc/10/70/75/395107075.db2.gz NBTPRLZRJSMLJL-NEPJUHHUSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000376007348 395107076 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395150345 /nfs/dbraw/zinc/15/03/45/395150345.db2.gz DSOVTPROUOZNBL-UHFFFAOYSA-N 1 2 258.300 2.162 20 30 CEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000515027763 395172673 /nfs/dbraw/zinc/17/26/73/395172673.db2.gz NLHRABYLVXGWRA-QMMMGPOBSA-N 1 2 260.272 2.240 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCc1c[nH+]ccc1OC ZINC000293244102 395226535 /nfs/dbraw/zinc/22/65/35/395226535.db2.gz DQYHVCXXNJUJHB-GFCCVEGCSA-N 1 2 263.341 2.244 20 30 CEEDLO COC(=O)c1ccccc1OCC[N@H+](C)[C@@H](C)CC#N ZINC000182231591 395237054 /nfs/dbraw/zinc/23/70/54/395237054.db2.gz QKXWDLBACHUMIR-LBPRGKRZSA-N 1 2 276.336 2.086 20 30 CEEDLO COC(=O)c1ccccc1OCC[N@@H+](C)[C@@H](C)CC#N ZINC000182231591 395237057 /nfs/dbraw/zinc/23/70/57/395237057.db2.gz QKXWDLBACHUMIR-LBPRGKRZSA-N 1 2 276.336 2.086 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292982974 395211934 /nfs/dbraw/zinc/21/19/34/395211934.db2.gz BLRLOCIBDQIGHC-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292982974 395211936 /nfs/dbraw/zinc/21/19/36/395211936.db2.gz BLRLOCIBDQIGHC-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO COC(=O)C1([NH2+]Cc2ccc(C#N)cc2C)CCCC1 ZINC000186313407 395288215 /nfs/dbraw/zinc/28/82/15/395288215.db2.gz HIOXVDUMSNFXOU-UHFFFAOYSA-N 1 2 272.348 2.442 20 30 CEEDLO CN(CC(C)(C)C#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000353162433 395289470 /nfs/dbraw/zinc/28/94/70/395289470.db2.gz JHHDJQDRKDZZPN-UHFFFAOYSA-N 1 2 282.347 2.494 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528779690 395295056 /nfs/dbraw/zinc/29/50/56/395295056.db2.gz DYVLRNPCKMTNKX-QEEYODRMSA-N 1 2 292.379 2.183 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528779690 395295060 /nfs/dbraw/zinc/29/50/60/395295060.db2.gz DYVLRNPCKMTNKX-QEEYODRMSA-N 1 2 292.379 2.183 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CC(OCCOCC)C2)cc1 ZINC000354195168 395319093 /nfs/dbraw/zinc/31/90/93/395319093.db2.gz RONUWJNQDWXSAB-UHFFFAOYSA-N 1 2 291.391 2.489 20 30 CEEDLO CCN(C(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352451572 395255152 /nfs/dbraw/zinc/25/51/52/395255152.db2.gz XTMQIUXESWPCRP-UHFFFAOYSA-N 1 2 289.354 2.367 20 30 CEEDLO COc1cccc(/C=[NH+]/CCCCCCO)c1O ZINC000183384715 395256388 /nfs/dbraw/zinc/25/63/88/395256388.db2.gz GZUOBSKYOAWUJF-RVDMUPIBSA-N 1 2 251.326 2.372 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000352464102 395256937 /nfs/dbraw/zinc/25/69/37/395256937.db2.gz OUHPMXFLSMDVSZ-UHFFFAOYSA-N 1 2 258.300 2.162 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352466860 395257678 /nfs/dbraw/zinc/25/76/78/395257678.db2.gz GZCCPCDHEQDGJJ-RYUDHWBXSA-N 1 2 269.364 2.007 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000419367344 395264221 /nfs/dbraw/zinc/26/42/21/395264221.db2.gz DCISMSCJGMFLHS-HOTGVXAUSA-N 1 2 284.359 2.477 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000192235295 395378229 /nfs/dbraw/zinc/37/82/29/395378229.db2.gz QIHPNHHOVYPXRF-INIZCTEOSA-N 1 2 276.355 2.204 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000192235295 395378232 /nfs/dbraw/zinc/37/82/32/395378232.db2.gz QIHPNHHOVYPXRF-INIZCTEOSA-N 1 2 276.355 2.204 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnnn1C1CC1 ZINC000190610980 395340240 /nfs/dbraw/zinc/34/02/40/395340240.db2.gz SSFUGWIXOLFBLH-QWRGUYRKSA-N 1 2 282.351 2.291 20 30 CEEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1cccs1 ZINC000195315796 395464761 /nfs/dbraw/zinc/46/47/61/395464761.db2.gz HDTDMDBASAVSEU-NSHDSACASA-N 1 2 277.393 2.161 20 30 CEEDLO COc1cc2c(cc1C[N@H+](C)C[C@@H](C)C#N)OCO2 ZINC000355383708 395430638 /nfs/dbraw/zinc/43/06/38/395430638.db2.gz MDHGDNMQSITBIL-JTQLQIEISA-N 1 2 262.309 2.015 20 30 CEEDLO COc1cc2c(cc1C[N@@H+](C)C[C@@H](C)C#N)OCO2 ZINC000355383708 395430642 /nfs/dbraw/zinc/43/06/42/395430642.db2.gz MDHGDNMQSITBIL-JTQLQIEISA-N 1 2 262.309 2.015 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000568520514 395563177 /nfs/dbraw/zinc/56/31/77/395563177.db2.gz DFMRNWAQVHHZKK-NEPJUHHUSA-N 1 2 277.368 2.051 20 30 CEEDLO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568635119 395563735 /nfs/dbraw/zinc/56/37/35/395563735.db2.gz RTRIFUZWACTSHW-LZLYRXPVSA-N 1 2 299.418 2.313 20 30 CEEDLO C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000450262231 395570180 /nfs/dbraw/zinc/57/01/80/395570180.db2.gz RKSSQTOWPGMIGD-NSHDSACASA-N 1 2 285.307 2.411 20 30 CEEDLO Cc1cc(N2CC[C@@H](Cc3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000575041134 395644562 /nfs/dbraw/zinc/64/45/62/395644562.db2.gz FMANTWHMWRNAIF-ZDUSSCGKSA-N 1 2 281.363 2.064 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000648896326 396011870 /nfs/dbraw/zinc/01/18/70/396011870.db2.gz JBLCVXFZMTXMIC-ZBFHGGJFSA-N 1 2 297.358 2.080 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000649344133 396125096 /nfs/dbraw/zinc/12/50/96/396125096.db2.gz XSDBSOGHUGZUPE-CQSZACIVSA-N 1 2 253.292 2.260 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000649344133 396125098 /nfs/dbraw/zinc/12/50/98/396125098.db2.gz XSDBSOGHUGZUPE-CQSZACIVSA-N 1 2 253.292 2.260 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)CC2(Br)CC2)n1 ZINC000491712532 400595266 /nfs/dbraw/zinc/59/52/66/400595266.db2.gz XFXWWXGJTVIBIN-UHFFFAOYSA-N 1 2 296.212 2.266 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)CC2(Br)CC2)n1 ZINC000491712532 400595269 /nfs/dbraw/zinc/59/52/69/400595269.db2.gz XFXWWXGJTVIBIN-UHFFFAOYSA-N 1 2 296.212 2.266 20 30 CEEDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000190104726 153115840 /nfs/dbraw/zinc/11/58/40/153115840.db2.gz VIYVTJKEFBJYKG-GJZGRUSLSA-N 1 2 298.346 2.212 20 30 CEEDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000190104726 153115845 /nfs/dbraw/zinc/11/58/45/153115845.db2.gz VIYVTJKEFBJYKG-GJZGRUSLSA-N 1 2 298.346 2.212 20 30 CEEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C#N ZINC000191371825 153167264 /nfs/dbraw/zinc/16/72/64/153167264.db2.gz MWOXGYFAHOIAOY-KRWDZBQOSA-N 1 2 297.358 2.176 20 30 CEEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C#N ZINC000191371825 153167269 /nfs/dbraw/zinc/16/72/69/153167269.db2.gz MWOXGYFAHOIAOY-KRWDZBQOSA-N 1 2 297.358 2.176 20 30 CEEDLO CC(C)c1nnc2n1CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H]2C ZINC000191540724 153176444 /nfs/dbraw/zinc/17/64/44/153176444.db2.gz YXTUMMIMXNURKR-LBPRGKRZSA-N 1 2 298.394 2.188 20 30 CEEDLO CC(C)c1nnc2n1CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H]2C ZINC000191540724 153176451 /nfs/dbraw/zinc/17/64/51/153176451.db2.gz YXTUMMIMXNURKR-LBPRGKRZSA-N 1 2 298.394 2.188 20 30 CEEDLO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000352022921 154321302 /nfs/dbraw/zinc/32/13/02/154321302.db2.gz SBKBAONAGFTYHH-UHFFFAOYSA-N 1 2 298.346 2.219 20 30 CEEDLO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000352022921 154321307 /nfs/dbraw/zinc/32/13/07/154321307.db2.gz SBKBAONAGFTYHH-UHFFFAOYSA-N 1 2 298.346 2.219 20 30 CEEDLO Cc1nn(Cc2cn3cc(Cl)ccc3[nH+]2)cc1C#N ZINC000359399109 155000968 /nfs/dbraw/zinc/00/09/68/155000968.db2.gz YGECIQLUFFBCBI-UHFFFAOYSA-N 1 2 271.711 2.413 20 30 CEEDLO Cc1ccc(C#N)c(NCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000367347480 156171955 /nfs/dbraw/zinc/17/19/55/156171955.db2.gz YQNIBFPNLXJKMJ-UHFFFAOYSA-N 1 2 290.330 2.455 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653909311 414788519 /nfs/dbraw/zinc/78/85/19/414788519.db2.gz FPZYMVUASVPVOE-UKRRQHHQSA-N 1 2 299.374 2.239 20 30 CEEDLO C=CCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000660389608 414798562 /nfs/dbraw/zinc/79/85/62/414798562.db2.gz OJPFWFWTOWFPFZ-UHFFFAOYSA-N 1 2 288.395 2.447 20 30 CEEDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459540926 414818577 /nfs/dbraw/zinc/81/85/77/414818577.db2.gz VPGKZCOFIWFDEJ-RYUDHWBXSA-N 1 2 289.335 2.059 20 30 CEEDLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459540926 414818586 /nfs/dbraw/zinc/81/85/86/414818586.db2.gz VPGKZCOFIWFDEJ-RYUDHWBXSA-N 1 2 289.335 2.059 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C)c2OC)nn1 ZINC000657505423 414982938 /nfs/dbraw/zinc/98/29/38/414982938.db2.gz YQHNDBYFTWYMQZ-UHFFFAOYSA-N 1 2 286.379 2.461 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)nn1 ZINC000657468889 414953745 /nfs/dbraw/zinc/95/37/45/414953745.db2.gz OYVUJZGWSORJJU-MLGOLLRUSA-N 1 2 284.363 2.466 20 30 CEEDLO C=C[C@@H](C)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654883912 415050545 /nfs/dbraw/zinc/05/05/45/415050545.db2.gz SHHNBMWUSHTWJK-BDAKNGLRSA-N 1 2 275.274 2.147 20 30 CEEDLO C=CC[N@@H+](Cc1nc([C@H](C)OCC)no1)[C@H](C)COC ZINC000661244146 415155521 /nfs/dbraw/zinc/15/55/21/415155521.db2.gz QWOJSOATTZWVMM-NEPJUHHUSA-N 1 2 283.372 2.190 20 30 CEEDLO C=CC[N@H+](Cc1nc([C@H](C)OCC)no1)[C@H](C)COC ZINC000661244146 415155527 /nfs/dbraw/zinc/15/55/27/415155527.db2.gz QWOJSOATTZWVMM-NEPJUHHUSA-N 1 2 283.372 2.190 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)nn1 ZINC000653778167 415101841 /nfs/dbraw/zinc/10/18/41/415101841.db2.gz IEQWYBVGMVOJGU-OAHLLOKOSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)nn1 ZINC000653778167 415101852 /nfs/dbraw/zinc/10/18/52/415101852.db2.gz IEQWYBVGMVOJGU-OAHLLOKOSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156338 415234733 /nfs/dbraw/zinc/23/47/33/415234733.db2.gz IMRPVRRJPJBBQA-NWDGAFQWSA-N 1 2 264.373 2.176 20 30 CEEDLO C=CCOCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000658206019 415256592 /nfs/dbraw/zinc/25/65/92/415256592.db2.gz KWKJQJYDCMRTRW-OAHLLOKOSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CCOCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000658206019 415256595 /nfs/dbraw/zinc/25/65/95/415256595.db2.gz KWKJQJYDCMRTRW-OAHLLOKOSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CCOCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000658206019 415256600 /nfs/dbraw/zinc/25/66/00/415256600.db2.gz KWKJQJYDCMRTRW-OAHLLOKOSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000664713995 415457937 /nfs/dbraw/zinc/45/79/37/415457937.db2.gz HMEBJVHBCJOYRE-GFCCVEGCSA-N 1 2 276.384 2.242 20 30 CEEDLO C=CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H](C)COC ZINC000665164087 415609683 /nfs/dbraw/zinc/60/96/83/415609683.db2.gz KBJLEJHIOOTHPD-AWEZNQCLSA-N 1 2 291.395 2.431 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000662092568 415623519 /nfs/dbraw/zinc/62/35/19/415623519.db2.gz QSYJQDXZKUYXOI-OLZOCXBDSA-N 1 2 276.384 2.479 20 30 CEEDLO C=CCOCC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662241848 415704356 /nfs/dbraw/zinc/70/43/56/415704356.db2.gz XMNVCDNJHOWLNU-QWRGUYRKSA-N 1 2 267.291 2.231 20 30 CEEDLO C=CCOCC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662241848 415704364 /nfs/dbraw/zinc/70/43/64/415704364.db2.gz XMNVCDNJHOWLNU-QWRGUYRKSA-N 1 2 267.291 2.231 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000662378725 415812273 /nfs/dbraw/zinc/81/22/73/415812273.db2.gz HPWOVRTUZLKNKS-AWEZNQCLSA-N 1 2 264.413 2.369 20 30 CEEDLO CC[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329975083 287322215 /nfs/dbraw/zinc/32/22/15/287322215.db2.gz ZNDPMITVNFOYSK-AVGNSLFASA-N 1 2 277.368 2.360 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077368458 177258860 /nfs/dbraw/zinc/25/88/60/177258860.db2.gz IOIIZPMUCDYXHA-BETUJISGSA-N 1 2 290.363 2.055 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077368458 177258862 /nfs/dbraw/zinc/25/88/62/177258862.db2.gz IOIIZPMUCDYXHA-BETUJISGSA-N 1 2 290.363 2.055 20 30 CEEDLO C[C@@H](C#N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000347121215 226033931 /nfs/dbraw/zinc/03/39/31/226033931.db2.gz YVPONWKVOZLFNB-STQMWFEESA-N 1 2 273.380 2.392 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(F)(C#N)CC2)[C@H]1C ZINC000352492017 287470198 /nfs/dbraw/zinc/47/01/98/287470198.db2.gz UTFJOHWLRICNHQ-RDBSUJKOSA-N 1 2 295.402 2.255 20 30 CEEDLO Cc1ccc([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000330247579 228079202 /nfs/dbraw/zinc/07/92/02/228079202.db2.gz LTNVCGLUVQKXKM-GFCCVEGCSA-N 1 2 285.351 2.236 20 30 CEEDLO O=C(NC1CC(F)(F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330260896 228084010 /nfs/dbraw/zinc/08/40/10/228084010.db2.gz TTYTVYDLOAKUCY-UHFFFAOYSA-N 1 2 284.310 2.301 20 30 CEEDLO O=C(NC1CC(F)(F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330260896 228084011 /nfs/dbraw/zinc/08/40/11/228084011.db2.gz TTYTVYDLOAKUCY-UHFFFAOYSA-N 1 2 284.310 2.301 20 30 CEEDLO Cc1cc(NC(=O)Nc2c(C)cc[nH+]c2C)nn1CCC#N ZINC000351923096 228165493 /nfs/dbraw/zinc/16/54/93/228165493.db2.gz POWAUNWAPJJXRZ-UHFFFAOYSA-N 1 2 298.350 2.183 20 30 CEEDLO N#C[C@@]1(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC12CCCC2 ZINC000333563963 228204950 /nfs/dbraw/zinc/20/49/50/228204950.db2.gz OMOPWIVVVGRYDE-SUMWQHHRSA-N 1 2 298.390 2.351 20 30 CEEDLO N#CC1(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCC1 ZINC000333882493 228218806 /nfs/dbraw/zinc/21/88/06/228218806.db2.gz DXSIWALNFWDJBW-GFCCVEGCSA-N 1 2 287.367 2.340 20 30 CEEDLO C=C[C@@](C)(O)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000667273953 419611183 /nfs/dbraw/zinc/61/11/83/419611183.db2.gz YUTHHWQUHUJJAK-MRXNPFEDSA-N 1 2 285.347 2.176 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000667547723 419706147 /nfs/dbraw/zinc/70/61/47/419706147.db2.gz VWALSKOXXYZMAN-JTQLQIEISA-N 1 2 287.285 2.022 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)OCC ZINC000298265004 260149439 /nfs/dbraw/zinc/14/94/39/260149439.db2.gz VZHDMFZKFWRUGN-CYBMUJFWSA-N 1 2 272.348 2.498 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)OCC ZINC000298265004 260149441 /nfs/dbraw/zinc/14/94/41/260149441.db2.gz VZHDMFZKFWRUGN-CYBMUJFWSA-N 1 2 272.348 2.498 20 30 CEEDLO C#CC[NH+](CC#C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000299184426 260174464 /nfs/dbraw/zinc/17/44/64/260174464.db2.gz BRYWFASXIFRNNJ-RHSMWYFYSA-N 1 2 298.361 2.056 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000521063438 260341641 /nfs/dbraw/zinc/34/16/41/260341641.db2.gz UZHFPHAYIHNSCA-CYBMUJFWSA-N 1 2 279.771 2.238 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC#N)C[C@H](C)O1 ZINC000153603231 261080831 /nfs/dbraw/zinc/08/08/31/261080831.db2.gz SQEGOTQDIBVBCN-BETUJISGSA-N 1 2 287.363 2.148 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC#N)C[C@H](C)O1 ZINC000153603231 261080833 /nfs/dbraw/zinc/08/08/33/261080833.db2.gz SQEGOTQDIBVBCN-BETUJISGSA-N 1 2 287.363 2.148 20 30 CEEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(OCCC(N)=O)cc2)C1 ZINC000193084580 262215970 /nfs/dbraw/zinc/21/59/70/262215970.db2.gz UCJNVIOLZHTFJF-OCCSQVGLSA-N 1 2 287.363 2.435 20 30 CEEDLO O=C1OCC[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@@H]12 ZINC000364366645 262219084 /nfs/dbraw/zinc/21/90/84/262219084.db2.gz VPZNPCCMZIGCMY-DZGCQCFKSA-N 1 2 289.762 2.329 20 30 CEEDLO O=C1OCC[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)[C@@H]12 ZINC000364366645 262219085 /nfs/dbraw/zinc/21/90/85/262219085.db2.gz VPZNPCCMZIGCMY-DZGCQCFKSA-N 1 2 289.762 2.329 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000354151448 262472553 /nfs/dbraw/zinc/47/25/53/262472553.db2.gz XNOVARLHXFMPSG-CJNGLKHVSA-N 1 2 288.395 2.141 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339058608 262590541 /nfs/dbraw/zinc/59/05/41/262590541.db2.gz XRIASRVHBNYFTE-MRXNPFEDSA-N 1 2 272.348 2.134 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339058608 262590542 /nfs/dbraw/zinc/59/05/42/262590542.db2.gz XRIASRVHBNYFTE-MRXNPFEDSA-N 1 2 272.348 2.134 20 30 CEEDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272545090 263006301 /nfs/dbraw/zinc/00/63/01/263006301.db2.gz KBLYOKVSWIUEHL-CYBMUJFWSA-N 1 2 296.378 2.349 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000272607345 263007579 /nfs/dbraw/zinc/00/75/79/263007579.db2.gz RSNVGSBKUBRTMF-UHFFFAOYSA-N 1 2 272.308 2.455 20 30 CEEDLO Cc1cc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)[nH]n1 ZINC000273037244 263011401 /nfs/dbraw/zinc/01/14/01/263011401.db2.gz VYSBVPHXOOXMHU-CYBMUJFWSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n[nH]1 ZINC000273037244 263011402 /nfs/dbraw/zinc/01/14/02/263011402.db2.gz VYSBVPHXOOXMHU-CYBMUJFWSA-N 1 2 271.368 2.341 20 30 CEEDLO N#CCC[C@H]([NH2+]CN1CCC(=O)CC1)c1ccccc1 ZINC000276251023 263035272 /nfs/dbraw/zinc/03/52/72/263035272.db2.gz OYGHRLJYWDMCTL-INIZCTEOSA-N 1 2 271.364 2.243 20 30 CEEDLO CCn1nccc1CC[N@H+](CCC#N)Cc1ccco1 ZINC000276323915 263035932 /nfs/dbraw/zinc/03/59/32/263035932.db2.gz PHEXHTFOENTKRW-UHFFFAOYSA-N 1 2 272.352 2.454 20 30 CEEDLO CCn1nccc1CC[N@@H+](CCC#N)Cc1ccco1 ZINC000276323915 263035933 /nfs/dbraw/zinc/03/59/33/263035933.db2.gz PHEXHTFOENTKRW-UHFFFAOYSA-N 1 2 272.352 2.454 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccs3)CC2)C1 ZINC000278562524 263048889 /nfs/dbraw/zinc/04/88/89/263048889.db2.gz IOEIRXGUZRVGEI-QWHCGFSZSA-N 1 2 289.404 2.198 20 30 CEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000353461870 263077331 /nfs/dbraw/zinc/07/73/31/263077331.db2.gz IARNIZFMTKSTDI-ZIAGYGMSSA-N 1 2 277.412 2.473 20 30 CEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C[C@H](C)C#N ZINC000353461870 263077332 /nfs/dbraw/zinc/07/73/32/263077332.db2.gz IARNIZFMTKSTDI-ZIAGYGMSSA-N 1 2 277.412 2.473 20 30 CEEDLO CCCCNc1cc(NCCCCC#N)nc(N)[nH+]1 ZINC000288151882 263103758 /nfs/dbraw/zinc/10/37/58/263103758.db2.gz ZFVYUGGAGNCKMN-UHFFFAOYSA-N 1 2 262.361 2.377 20 30 CEEDLO CCCCNc1cc(NCCCCC#N)[nH+]c(N)n1 ZINC000288151882 263103759 /nfs/dbraw/zinc/10/37/59/263103759.db2.gz ZFVYUGGAGNCKMN-UHFFFAOYSA-N 1 2 262.361 2.377 20 30 CEEDLO COc1cc[nH+]cc1COC(=O)C1(C#N)CCCC1 ZINC000288792937 263105912 /nfs/dbraw/zinc/10/59/12/263105912.db2.gz LBNKOFDNGHSCFZ-UHFFFAOYSA-N 1 2 260.293 2.217 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000291810970 263125755 /nfs/dbraw/zinc/12/57/55/263125755.db2.gz CUXMLUPQRGKMMH-UHFFFAOYSA-N 1 2 260.293 2.023 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000291810970 263125756 /nfs/dbraw/zinc/12/57/56/263125756.db2.gz CUXMLUPQRGKMMH-UHFFFAOYSA-N 1 2 260.293 2.023 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccnc(Br)c1 ZINC000292693806 263133817 /nfs/dbraw/zinc/13/38/17/263133817.db2.gz AACZYOUQLWUOLR-SECBINFHSA-N 1 2 268.158 2.436 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccnc(Br)c1 ZINC000292693806 263133818 /nfs/dbraw/zinc/13/38/18/263133818.db2.gz AACZYOUQLWUOLR-SECBINFHSA-N 1 2 268.158 2.436 20 30 CEEDLO COc1nccc(C[N@H+](CCC#N)CCC(C)C)n1 ZINC000294651929 263165440 /nfs/dbraw/zinc/16/54/40/263165440.db2.gz BMOXJCMOMGAWQO-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO COc1nccc(C[N@@H+](CCC#N)CCC(C)C)n1 ZINC000294651929 263165441 /nfs/dbraw/zinc/16/54/41/263165441.db2.gz BMOXJCMOMGAWQO-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO CC#CCN(C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000341040818 263318742 /nfs/dbraw/zinc/31/87/42/263318742.db2.gz JMUQBDANVLQPDQ-GFCCVEGCSA-N 1 2 273.380 2.120 20 30 CEEDLO CC#CCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000341040818 263318744 /nfs/dbraw/zinc/31/87/44/263318744.db2.gz JMUQBDANVLQPDQ-GFCCVEGCSA-N 1 2 273.380 2.120 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000341989088 263381111 /nfs/dbraw/zinc/38/11/11/263381111.db2.gz LAYAIFQDOYCPRV-UHFFFAOYSA-N 1 2 298.337 2.110 20 30 CEEDLO COC[C@H](C#N)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000342248116 263405751 /nfs/dbraw/zinc/40/57/51/263405751.db2.gz CHMQPDKBSVOOGQ-RDJZCZTQSA-N 1 2 298.390 2.369 20 30 CEEDLO CN(C(=O)NC[C@H]1CCCn2cc[nH+]c21)C1CCC1 ZINC000328616524 263829016 /nfs/dbraw/zinc/82/90/16/263829016.db2.gz SPDMAKGFFWURIC-LLVKDONJSA-N 1 2 262.357 2.159 20 30 CEEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328685910 263843280 /nfs/dbraw/zinc/84/32/80/263843280.db2.gz XUXBXPXYQLOBRH-NEPJUHHUSA-N 1 2 262.357 2.016 20 30 CEEDLO O=C(NCCc1cscn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328961156 263908581 /nfs/dbraw/zinc/90/85/81/263908581.db2.gz PXXKRGGWBVBBOB-JTQLQIEISA-N 1 2 276.365 2.101 20 30 CEEDLO Cc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330802134 264042328 /nfs/dbraw/zinc/04/23/28/264042328.db2.gz AOAUFFXEUVGYSN-GXTWGEPZSA-N 1 2 257.337 2.215 20 30 CEEDLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)on1 ZINC000330804912 264042520 /nfs/dbraw/zinc/04/25/20/264042520.db2.gz BRDYIYHUMOTHIR-WDEREUQCSA-N 1 2 290.367 2.192 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000330952708 264086575 /nfs/dbraw/zinc/08/65/75/264086575.db2.gz QUXAVNQQIMTEIM-DOMZBBRYSA-N 1 2 277.368 2.154 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000330952708 264086578 /nfs/dbraw/zinc/08/65/78/264086578.db2.gz QUXAVNQQIMTEIM-DOMZBBRYSA-N 1 2 277.368 2.154 20 30 CEEDLO CC[C@](C)(CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331236812 264175350 /nfs/dbraw/zinc/17/53/50/264175350.db2.gz MTQMZOHZBKADMP-CQSZACIVSA-N 1 2 265.357 2.303 20 30 CEEDLO CS[C@H](CO)[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331309892 264186344 /nfs/dbraw/zinc/18/63/44/264186344.db2.gz HHOSWUFQWDAKRQ-ZYHUDNBSSA-N 1 2 297.424 2.445 20 30 CEEDLO Cc1ccc(NC(=O)N2CCC[C@@H]2CCCO)c(C)[nH+]1 ZINC000331322081 264189906 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ZINC000294055977 265005656 /nfs/dbraw/zinc/00/56/56/265005656.db2.gz JQCWQNJRQOXPIR-UHFFFAOYSA-N 1 2 279.290 2.470 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000519294694 265387920 /nfs/dbraw/zinc/38/79/20/265387920.db2.gz VZLXROQSMYGAHU-MFKMUULPSA-N 1 2 285.326 2.393 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)C#N ZINC000357841277 266375650 /nfs/dbraw/zinc/37/56/50/266375650.db2.gz VPNRMGCRSJDGPC-LLVKDONJSA-N 1 2 270.336 2.011 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000367781980 267117490 /nfs/dbraw/zinc/11/74/90/267117490.db2.gz SPJQTVHDVBSKJL-SECBINFHSA-N 1 2 287.310 2.303 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(c2cccc(C)c2)C1 ZINC000368506122 267178633 /nfs/dbraw/zinc/17/86/33/267178633.db2.gz ALHYWBBFJSIXFJ-WMLDXEAASA-N 1 2 288.366 2.003 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(c2cccc(C)c2)C1 ZINC000368506122 267178636 /nfs/dbraw/zinc/17/86/36/267178636.db2.gz ALHYWBBFJSIXFJ-WMLDXEAASA-N 1 2 288.366 2.003 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369367022 267238035 /nfs/dbraw/zinc/23/80/35/267238035.db2.gz VGTNREOSOZMRLZ-CYBMUJFWSA-N 1 2 273.380 2.176 20 30 CEEDLO N#CCC[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000370080410 267289139 /nfs/dbraw/zinc/28/91/39/267289139.db2.gz FWKAFAIMICMKPD-UHFFFAOYSA-N 1 2 256.256 2.100 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)CNc1cccc(C#N)c1 ZINC000495084320 267296301 /nfs/dbraw/zinc/29/63/01/267296301.db2.gz LYDPRESHWWHVIF-UHFFFAOYSA-N 1 2 295.346 2.070 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000459367296 267310389 /nfs/dbraw/zinc/31/03/89/267310389.db2.gz DLAYPWVXIBLMOK-UHFFFAOYSA-N 1 2 289.335 2.203 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000459367296 267310391 /nfs/dbraw/zinc/31/03/91/267310391.db2.gz DLAYPWVXIBLMOK-UHFFFAOYSA-N 1 2 289.335 2.203 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H](CO)c1ccccc1 ZINC000449451438 267323357 /nfs/dbraw/zinc/32/33/57/267323357.db2.gz IUHOEYPYBZNWKH-CYBMUJFWSA-N 1 2 273.361 2.180 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H](CO)c1ccccc1 ZINC000449451438 267323359 /nfs/dbraw/zinc/32/33/59/267323359.db2.gz IUHOEYPYBZNWKH-CYBMUJFWSA-N 1 2 273.361 2.180 20 30 CEEDLO C#CCCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120002660 267351297 /nfs/dbraw/zinc/35/12/97/267351297.db2.gz JFLGXDPXUQNALO-OAHLLOKOSA-N 1 2 272.348 2.255 20 30 CEEDLO COC(=O)[C@]12CN(c3cc(C)[nH+]cc3C#N)C[C@H]1CCCC2 ZINC000425259822 267394989 /nfs/dbraw/zinc/39/49/89/267394989.db2.gz YQFFGOKFIFWEDQ-RHSMWYFYSA-N 1 2 299.374 2.431 20 30 CEEDLO C=C(Br)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371433172 267404052 /nfs/dbraw/zinc/40/40/52/267404052.db2.gz VUNVFRAXQDHZED-SECBINFHSA-N 1 2 256.147 2.455 20 30 CEEDLO C[C@H]1COCC[N@@H+]1CCNc1cccc(Cl)c1C#N ZINC000450316449 267893652 /nfs/dbraw/zinc/89/36/52/267893652.db2.gz QUBLNRAFFLMDDZ-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@H]1COCC[N@H+]1CCNc1cccc(Cl)c1C#N ZINC000450316449 267893655 /nfs/dbraw/zinc/89/36/55/267893655.db2.gz QUBLNRAFFLMDDZ-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO Cc1ccc(OCCNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425207145 268041641 /nfs/dbraw/zinc/04/16/41/268041641.db2.gz YYDUMYXPZRQUPA-UHFFFAOYSA-N 1 2 267.332 2.483 20 30 CEEDLO Cn1c2ccccc2[nH+]c1CCCNc1cncc(C#N)n1 ZINC000420604107 268115006 /nfs/dbraw/zinc/11/50/06/268115006.db2.gz RESWHHHCAPMZHY-UHFFFAOYSA-N 1 2 292.346 2.280 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000519177156 268223792 /nfs/dbraw/zinc/22/37/92/268223792.db2.gz VSDFQHWABQHLJW-UHFFFAOYSA-N 1 2 294.314 2.420 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000519177156 268223795 /nfs/dbraw/zinc/22/37/95/268223795.db2.gz VSDFQHWABQHLJW-UHFFFAOYSA-N 1 2 294.314 2.420 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCCCO)C1CC1 ZINC000459334311 268289591 /nfs/dbraw/zinc/28/95/91/268289591.db2.gz DGSSYFMRWUUMTI-UHFFFAOYSA-N 1 2 289.335 2.203 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CCCCO)C1CC1 ZINC000459334311 268289592 /nfs/dbraw/zinc/28/95/92/268289592.db2.gz DGSSYFMRWUUMTI-UHFFFAOYSA-N 1 2 289.335 2.203 20 30 CEEDLO COc1ccnc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000424306532 271042577 /nfs/dbraw/zinc/04/25/77/271042577.db2.gz IKQJNZWZVJZYCJ-SNVBAGLBSA-N 1 2 286.310 2.347 20 30 CEEDLO Cc1cc(N2CC[C@@]3(C2)CCCOC3)c(C#N)c[nH+]1 ZINC000425252746 271147471 /nfs/dbraw/zinc/14/74/71/271147471.db2.gz IZIWLPBJAMMQQM-OAHLLOKOSA-N 1 2 257.337 2.269 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000363489741 277367386 /nfs/dbraw/zinc/36/73/86/277367386.db2.gz WFOVHVULSUHRHA-LSDHHAIUSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000363489741 277367388 /nfs/dbraw/zinc/36/73/88/277367388.db2.gz WFOVHVULSUHRHA-LSDHHAIUSA-N 1 2 272.348 2.320 20 30 CEEDLO N#Cc1cc(F)c(N2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000111144118 279503840 /nfs/dbraw/zinc/50/38/40/279503840.db2.gz JKRJEVZLLDPLKX-UHFFFAOYSA-N 1 2 263.291 2.121 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000334734795 280182624 /nfs/dbraw/zinc/18/26/24/280182624.db2.gz HJTMHANIIILEMH-IAQYHMDHSA-N 1 2 297.362 2.115 20 30 CEEDLO CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329410017 280390984 /nfs/dbraw/zinc/39/09/84/280390984.db2.gz AHFNTWHENLUEAO-MISXGVKJSA-N 1 2 277.368 2.285 20 30 CEEDLO CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329410017 280390989 /nfs/dbraw/zinc/39/09/89/280390989.db2.gz AHFNTWHENLUEAO-MISXGVKJSA-N 1 2 277.368 2.285 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000378396622 290219734 /nfs/dbraw/zinc/21/97/34/290219734.db2.gz OZQUKDBOGUQLEC-PBHICJAKSA-N 1 2 285.391 2.026 20 30 CEEDLO CCN(CC)c1ccc(CNc2ccncc2C#N)c[nH+]1 ZINC000548154363 298397361 /nfs/dbraw/zinc/39/73/61/298397361.db2.gz HDLYAHYBNRCATB-UHFFFAOYSA-N 1 2 281.363 2.228 20 30 CEEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000335947472 303153345 /nfs/dbraw/zinc/15/33/45/303153345.db2.gz ZVACKAXOCOLANQ-CQSZACIVSA-N 1 2 275.396 2.015 20 30 CEEDLO C=CCCCS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000575312199 335092489 /nfs/dbraw/zinc/09/24/89/335092489.db2.gz GPMKPJJZFGTHOR-UHFFFAOYSA-N 1 2 295.408 2.390 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000570812895 327621053 /nfs/dbraw/zinc/62/10/53/327621053.db2.gz FFPBAQPVRDTNBF-JQWIXIFHSA-N 1 2 263.316 2.435 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572660030 327629055 /nfs/dbraw/zinc/62/90/55/327629055.db2.gz YFJPMROJOMCMTO-GHMZBOCLSA-N 1 2 290.323 2.204 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543646539 313459248 /nfs/dbraw/zinc/45/92/48/313459248.db2.gz PDKKZBYWXXPYGM-UHFFFAOYSA-N 1 2 274.711 2.207 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CF)c([N+](=O)[O-])c1 ZINC000570455503 314041951 /nfs/dbraw/zinc/04/19/51/314041951.db2.gz RCTDLOGEBXPRLQ-LBPRGKRZSA-N 1 2 263.272 2.400 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CF)c([N+](=O)[O-])c1 ZINC000570455503 314041953 /nfs/dbraw/zinc/04/19/53/314041953.db2.gz RCTDLOGEBXPRLQ-LBPRGKRZSA-N 1 2 263.272 2.400 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573336587 314153201 /nfs/dbraw/zinc/15/32/01/314153201.db2.gz USMPESYHVBSVCX-LLVKDONJSA-N 1 2 268.320 2.407 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573336587 314153205 /nfs/dbraw/zinc/15/32/05/314153205.db2.gz USMPESYHVBSVCX-LLVKDONJSA-N 1 2 268.320 2.407 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccnc(C#N)n1 ZINC000577328775 314363782 /nfs/dbraw/zinc/36/37/82/314363782.db2.gz HGKFQYNPKAYECY-GFCCVEGCSA-N 1 2 282.351 2.296 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+](CCC#N)C(C)C)cc12 ZINC000534341607 328049874 /nfs/dbraw/zinc/04/98/74/328049874.db2.gz CRSFZHDZJDZUHM-UHFFFAOYSA-N 1 2 271.368 2.401 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+](CCC#N)C(C)C)cc12 ZINC000534341607 328049876 /nfs/dbraw/zinc/04/98/76/328049876.db2.gz CRSFZHDZJDZUHM-UHFFFAOYSA-N 1 2 271.368 2.401 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000266943380 328170720 /nfs/dbraw/zinc/17/07/20/328170720.db2.gz RVERLHWKDIKVAL-GFCCVEGCSA-N 1 2 277.343 2.066 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000266943380 328170722 /nfs/dbraw/zinc/17/07/22/328170722.db2.gz RVERLHWKDIKVAL-GFCCVEGCSA-N 1 2 277.343 2.066 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COCc1cccs1 ZINC000292182164 328268571 /nfs/dbraw/zinc/26/85/71/328268571.db2.gz MMYDMMLHNPEWKB-CYBMUJFWSA-N 1 2 280.393 2.027 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COCc1cccs1 ZINC000292182164 328268572 /nfs/dbraw/zinc/26/85/72/328268572.db2.gz MMYDMMLHNPEWKB-CYBMUJFWSA-N 1 2 280.393 2.027 20 30 CEEDLO C=CCCOCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340527066 328288771 /nfs/dbraw/zinc/28/87/71/328288771.db2.gz RBZHATRXSRXWBK-OAHLLOKOSA-N 1 2 290.342 2.216 20 30 CEEDLO Cc1c[nH+]c(C)nc1N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000580450700 322319331 /nfs/dbraw/zinc/31/93/31/322319331.db2.gz OLBLZJMCSLJCTA-AWEZNQCLSA-N 1 2 295.346 2.018 20 30 CEEDLO CC[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330978798 328470603 /nfs/dbraw/zinc/47/06/03/328470603.db2.gz WOWFCJYSKOSFLI-WCQYABFASA-N 1 2 263.341 2.247 20 30 CEEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OCC)no1)C1CC1 ZINC000357549993 327018637 /nfs/dbraw/zinc/01/86/37/327018637.db2.gz GGJQRAPVAOGDFS-SNVBAGLBSA-N 1 2 251.330 2.318 20 30 CEEDLO C=CC[N@H+](Cc1nc([C@@H](C)OCC)no1)C1CC1 ZINC000357549993 327018638 /nfs/dbraw/zinc/01/86/38/327018638.db2.gz GGJQRAPVAOGDFS-SNVBAGLBSA-N 1 2 251.330 2.318 20 30 CEEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000119693545 327247744 /nfs/dbraw/zinc/24/77/44/327247744.db2.gz BZCMUHIWSUFFFP-BBRMVZONSA-N 1 2 282.343 2.097 20 30 CEEDLO CNc1nc(N2CCC(CC#N)CC2)[nH+]c2ccccc21 ZINC000562533981 327488833 /nfs/dbraw/zinc/48/88/33/327488833.db2.gz RFWNZUIJLJQZEU-UHFFFAOYSA-N 1 2 281.363 2.223 20 30 CEEDLO CC#CC[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000160014636 327586631 /nfs/dbraw/zinc/58/66/31/327586631.db2.gz JUDIMWOPCRJAFU-SNVBAGLBSA-N 1 2 266.366 2.302 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000357897836 328878792 /nfs/dbraw/zinc/87/87/92/328878792.db2.gz QYZUCKHQUDBCTC-CYBMUJFWSA-N 1 2 284.363 2.305 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000181290118 329229908 /nfs/dbraw/zinc/22/99/08/329229908.db2.gz IZMWFWZYJGYCIG-AWEZNQCLSA-N 1 2 258.321 2.280 20 30 CEEDLO C=C(C)C[N@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000181290118 329229910 /nfs/dbraw/zinc/22/99/10/329229910.db2.gz IZMWFWZYJGYCIG-AWEZNQCLSA-N 1 2 258.321 2.280 20 30 CEEDLO C=C(C)CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000181138590 329232818 /nfs/dbraw/zinc/23/28/18/329232818.db2.gz BZGZUZNQQDJJOI-UHFFFAOYSA-N 1 2 262.357 2.101 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185330445 329270627 /nfs/dbraw/zinc/27/06/27/329270627.db2.gz KZPLFTKSJYBVFA-LLVKDONJSA-N 1 2 280.318 2.056 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185330445 329270628 /nfs/dbraw/zinc/27/06/28/329270628.db2.gz KZPLFTKSJYBVFA-LLVKDONJSA-N 1 2 280.318 2.056 20 30 CEEDLO CC(C)C[C@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582849867 329279926 /nfs/dbraw/zinc/27/99/26/329279926.db2.gz ZUJMPZGSKAJXSJ-TZMCWYRMSA-N 1 2 262.357 2.279 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)CC ZINC000195525900 329693840 /nfs/dbraw/zinc/69/38/40/329693840.db2.gz JHASAHJVSGSJAX-LLVKDONJSA-N 1 2 270.336 2.017 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(C(F)F)c1 ZINC000514942064 330467625 /nfs/dbraw/zinc/46/76/25/330467625.db2.gz PPUGENHDADCBCZ-AWEZNQCLSA-N 1 2 281.306 2.198 20 30 CEEDLO C=CCOc1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000448544873 330632480 /nfs/dbraw/zinc/63/24/80/330632480.db2.gz ZKSUDSYEKQFDTK-UHFFFAOYSA-N 1 2 298.346 2.381 20 30 CEEDLO C/C=C\C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OCC ZINC000443065833 330793648 /nfs/dbraw/zinc/79/36/48/330793648.db2.gz GIAZTXSNOHQBPJ-IKQVYHSRSA-N 1 2 250.342 2.166 20 30 CEEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448723890 330831268 /nfs/dbraw/zinc/83/12/68/330831268.db2.gz CTDLNUMUFPPUHC-SUMWQHHRSA-N 1 2 298.390 2.238 20 30 CEEDLO C=CCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000447984428 330882210 /nfs/dbraw/zinc/88/22/10/330882210.db2.gz YOFGBRXPBBUIHF-UHFFFAOYSA-N 1 2 288.395 2.316 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OCC ZINC000449655842 330942324 /nfs/dbraw/zinc/94/23/24/330942324.db2.gz HZJQSFADCHBOLS-GRYCIOLGSA-N 1 2 257.399 2.225 20 30 CEEDLO C=CCC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000449960977 330956700 /nfs/dbraw/zinc/95/67/00/330956700.db2.gz SKRSSKYFGOUTON-HNNXBMFYSA-N 1 2 292.423 2.056 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452751705 331075069 /nfs/dbraw/zinc/07/50/69/331075069.db2.gz HFVBOZGNZNTBIY-OAHLLOKOSA-N 1 2 277.368 2.387 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000454459482 331146596 /nfs/dbraw/zinc/14/65/96/331146596.db2.gz YIAVJZPWXVPMIA-UHFFFAOYSA-N 1 2 276.384 2.231 20 30 CEEDLO C=C(C)CCNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000454701416 331151784 /nfs/dbraw/zinc/15/17/84/331151784.db2.gz QEMQNWDIYULCJG-LBPRGKRZSA-N 1 2 262.357 2.026 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456122147 331184883 /nfs/dbraw/zinc/18/48/83/331184883.db2.gz YXCLYALUDMRQMQ-UONOGXRCSA-N 1 2 282.428 2.204 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456122147 331184884 /nfs/dbraw/zinc/18/48/84/331184884.db2.gz YXCLYALUDMRQMQ-UONOGXRCSA-N 1 2 282.428 2.204 20 30 CEEDLO C[NH+](C)Cc1csc(NC(=O)C2(C#N)CCCC2)n1 ZINC000457284019 331218068 /nfs/dbraw/zinc/21/80/68/331218068.db2.gz DSOQWLBIUGKFOK-UHFFFAOYSA-N 1 2 278.381 2.227 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457318755 331218913 /nfs/dbraw/zinc/21/89/13/331218913.db2.gz UQYKASNKUAOCRN-LBPRGKRZSA-N 1 2 266.370 2.083 20 30 CEEDLO C=CCN(C(=O)N[C@@H](C)c1[nH+]ccn1CC)C1CC1 ZINC000459053778 331268618 /nfs/dbraw/zinc/26/86/18/331268618.db2.gz HMJADFZFUNWVBS-NSHDSACASA-N 1 2 262.357 2.324 20 30 CEEDLO CCc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000459457197 331282269 /nfs/dbraw/zinc/28/22/69/331282269.db2.gz CVHMCEFZVHFOPM-HIFRSBDPSA-N 1 2 271.364 2.469 20 30 CEEDLO COCC[N@H+](Cc1c(C)nn(C)c1C)CC1(C#N)CCC1 ZINC000459568868 331288231 /nfs/dbraw/zinc/28/82/31/331288231.db2.gz BXJFHOJSVWEWOH-UHFFFAOYSA-N 1 2 290.411 2.179 20 30 CEEDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)CC1(C#N)CCC1 ZINC000459568868 331288232 /nfs/dbraw/zinc/28/82/32/331288232.db2.gz BXJFHOJSVWEWOH-UHFFFAOYSA-N 1 2 290.411 2.179 20 30 CEEDLO C#C[C@H](CCC)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000491288757 332182370 /nfs/dbraw/zinc/18/23/70/332182370.db2.gz USQQPUBPAGJMDK-CYBMUJFWSA-N 1 2 269.348 2.263 20 30 CEEDLO C#C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000491418255 332208283 /nfs/dbraw/zinc/20/82/83/332208283.db2.gz QDULFHZGXXCDML-CYBMUJFWSA-N 1 2 285.322 2.317 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000491712123 332303566 /nfs/dbraw/zinc/30/35/66/332303566.db2.gz XKLBSMFJRTZWQU-CJNGLKHVSA-N 1 2 297.333 2.075 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](Cc2cccc(F)c2)OC1=O ZINC000491738336 332317987 /nfs/dbraw/zinc/31/79/87/332317987.db2.gz CGIYTCPFPZWTHX-SWLSCSKDSA-N 1 2 290.338 2.100 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](Cc2cccc(F)c2)OC1=O ZINC000491738336 332317988 /nfs/dbraw/zinc/31/79/88/332317988.db2.gz CGIYTCPFPZWTHX-SWLSCSKDSA-N 1 2 290.338 2.100 20 30 CEEDLO C#CCN(C(=O)CCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000491770684 332337374 /nfs/dbraw/zinc/33/73/74/332337374.db2.gz NJFBOWAVVZJDDM-UHFFFAOYSA-N 1 2 281.359 2.359 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491807408 332360551 /nfs/dbraw/zinc/36/05/51/332360551.db2.gz SFDFVBYKJWMNJX-UHFFFAOYSA-N 1 2 259.275 2.289 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000491807408 332360552 /nfs/dbraw/zinc/36/05/52/332360552.db2.gz SFDFVBYKJWMNJX-UHFFFAOYSA-N 1 2 259.275 2.289 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493109915 332426606 /nfs/dbraw/zinc/42/66/06/332426606.db2.gz XVMUYYRUFMAYMN-UTWMECEDSA-N 1 2 258.325 2.012 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)cc(Cl)c1 ZINC000566308251 334642034 /nfs/dbraw/zinc/64/20/34/334642034.db2.gz FQJKFBGNEFJFSY-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO Cc1cccc2nc(C[NH2+]C[C@@H](C#N)CCC#N)cn21 ZINC000517359349 333097949 /nfs/dbraw/zinc/09/79/49/333097949.db2.gz AHPRAFZPQFAOQT-CYBMUJFWSA-N 1 2 267.336 2.176 20 30 CEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000521743595 333186504 /nfs/dbraw/zinc/18/65/04/333186504.db2.gz SYZLOWZRKSXYCR-CYBMUJFWSA-N 1 2 276.384 2.016 20 30 CEEDLO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C#N)CCC#N)CO2 ZINC000521949823 333225711 /nfs/dbraw/zinc/22/57/11/333225711.db2.gz TXNSKYPSSXWLDU-JSGCOSHPSA-N 1 2 255.321 2.462 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000192218849 333232372 /nfs/dbraw/zinc/23/23/72/333232372.db2.gz XJVJWTMFCYAICG-INIZCTEOSA-N 1 2 258.365 2.065 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000192218849 333232373 /nfs/dbraw/zinc/23/23/73/333232373.db2.gz XJVJWTMFCYAICG-INIZCTEOSA-N 1 2 258.365 2.065 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)C3(C#N)CCOCC3)ccc2n1C ZINC000525211002 333404103 /nfs/dbraw/zinc/40/41/03/333404103.db2.gz FZLHMIYFOJAUEN-UHFFFAOYSA-N 1 2 298.346 2.141 20 30 CEEDLO Cc1nn2c(C[NH2+]C[C@@H](C)C#N)c(C(C)C)nc2s1 ZINC000543621222 333885034 /nfs/dbraw/zinc/88/50/34/333885034.db2.gz IISOCUBDIIDXMP-VIFPVBQESA-N 1 2 277.397 2.472 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000134093733 334079964 /nfs/dbraw/zinc/07/99/64/334079964.db2.gz UFNUUGGWTDVWKZ-GFCCVEGCSA-N 1 2 277.368 2.028 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000134093733 334079966 /nfs/dbraw/zinc/07/99/66/334079966.db2.gz UFNUUGGWTDVWKZ-GFCCVEGCSA-N 1 2 277.368 2.028 20 30 CEEDLO N#CCc1cc[nH+]c(NCc2ccc(-n3cncn3)cc2)c1 ZINC000547341388 334081318 /nfs/dbraw/zinc/08/13/18/334081318.db2.gz QWJULQPGUNSVDT-UHFFFAOYSA-N 1 2 290.330 2.340 20 30 CEEDLO COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1[N+](=O)[O-] ZINC000550762809 334228458 /nfs/dbraw/zinc/22/84/58/334228458.db2.gz AMEYOZXYOLKOER-GFCCVEGCSA-N 1 2 288.307 2.137 20 30 CEEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](C#N)CCC#N ZINC000247088324 334275538 /nfs/dbraw/zinc/27/55/38/334275538.db2.gz PQSJITURTMRIMG-JLTOFOAXSA-N 1 2 289.404 2.299 20 30 CEEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](C#N)CCC#N ZINC000247088324 334275540 /nfs/dbraw/zinc/27/55/40/334275540.db2.gz PQSJITURTMRIMG-JLTOFOAXSA-N 1 2 289.404 2.299 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000565174346 334542748 /nfs/dbraw/zinc/54/27/48/334542748.db2.gz QCJMGVZBFBOMLT-AAVRWANBSA-N 1 2 265.401 2.209 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000568181011 334801104 /nfs/dbraw/zinc/80/11/04/334801104.db2.gz IKCVOBPHXYVMOQ-WDEREUQCSA-N 1 2 290.323 2.204 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000184727138 518894918 /nfs/dbraw/zinc/89/49/18/518894918.db2.gz YXCZDXHIELWUSD-SNVBAGLBSA-N 1 2 267.398 2.219 20 30 CEEDLO N#CCc1cccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000336443653 534728550 /nfs/dbraw/zinc/72/85/50/534728550.db2.gz FDSFKIIMIGZOGH-CQSZACIVSA-N 1 2 280.331 2.453 20 30 CEEDLO CC#CCCNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000354067203 526310820 /nfs/dbraw/zinc/31/08/20/526310820.db2.gz ZMZMIGORLHFWGL-UHFFFAOYSA-N 1 2 255.321 2.194 20 30 CEEDLO CC(C)(C)n1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000330315402 526909448 /nfs/dbraw/zinc/90/94/48/526909448.db2.gz POJRTZUNUNUNNW-LBPRGKRZSA-N 1 2 287.367 2.154 20 30 CEEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330327343 527768770 /nfs/dbraw/zinc/76/87/70/527768770.db2.gz VNACWNMXRYERLC-IINYFYTJSA-N 1 2 258.325 2.094 20 30 CEEDLO CCC1([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330306088 527769249 /nfs/dbraw/zinc/76/92/49/527769249.db2.gz RDLWNDWMWUQQCU-NSHDSACASA-N 1 2 262.357 2.034 20 30 CEEDLO CCC1(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330306088 527769253 /nfs/dbraw/zinc/76/92/53/527769253.db2.gz RDLWNDWMWUQQCU-NSHDSACASA-N 1 2 262.357 2.034 20 30 CEEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329255571 528833571 /nfs/dbraw/zinc/83/35/71/528833571.db2.gz APFYWDNWSZGBPU-GUTXKFCHSA-N 1 2 291.395 2.463 20 30 CEEDLO CCOCc1nc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)no1 ZINC000353616386 529079304 /nfs/dbraw/zinc/07/93/04/529079304.db2.gz CCDRPXINVGYMCW-SRVKXCTJSA-N 1 2 278.356 2.339 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729932283 574496369 /nfs/dbraw/zinc/49/63/69/574496369.db2.gz XFXZZXGMICVBJS-NSHDSACASA-N 1 2 270.174 2.429 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729932283 574496370 /nfs/dbraw/zinc/49/63/70/574496370.db2.gz XFXZZXGMICVBJS-NSHDSACASA-N 1 2 270.174 2.429 20 30 CEEDLO C=C(Br)CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729932283 574496372 /nfs/dbraw/zinc/49/63/72/574496372.db2.gz XFXZZXGMICVBJS-NSHDSACASA-N 1 2 270.174 2.429 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000730278739 574513423 /nfs/dbraw/zinc/51/34/23/574513423.db2.gz PBZVTYUVVPFENI-CFVMTHIKSA-N 1 2 286.375 2.117 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000730278739 574513424 /nfs/dbraw/zinc/51/34/24/574513424.db2.gz PBZVTYUVVPFENI-CFVMTHIKSA-N 1 2 286.375 2.117 20 30 CEEDLO C#CCOc1cccc(OC(=O)CCCn2cc[nH+]c2)c1 ZINC000730497138 574520281 /nfs/dbraw/zinc/52/02/81/574520281.db2.gz AGDHCYFDIJJQFT-UHFFFAOYSA-N 1 2 284.315 2.281 20 30 CEEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccc(F)cn2)cc1 ZINC000731317954 574593907 /nfs/dbraw/zinc/59/39/07/574593907.db2.gz GQLDJWHCPGYVAQ-UHFFFAOYSA-N 1 2 288.326 2.095 20 30 CEEDLO Cc1c(C(=O)/C=C/c2[nH]cc[nH+]2)c(C#N)c2n1CCC2 ZINC000731936781 574607541 /nfs/dbraw/zinc/60/75/41/574607541.db2.gz CNWUQUCJXMSWCL-SNAWJCMRSA-N 1 2 266.304 2.234 20 30 CEEDLO CCCCCCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000754845946 574609909 /nfs/dbraw/zinc/60/99/09/574609909.db2.gz BOEBDHKKZHPISN-OAHLLOKOSA-N 1 2 299.459 2.367 20 30 CEEDLO C#CCOc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000734158447 574703804 /nfs/dbraw/zinc/70/38/04/574703804.db2.gz IHEBMSGQJSVZFV-QGZVFWFLSA-N 1 2 294.354 2.015 20 30 CEEDLO C=CC[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccncc1 ZINC000734461284 574715798 /nfs/dbraw/zinc/71/57/98/574715798.db2.gz UVRFHACCLHVXPR-CQSZACIVSA-N 1 2 270.336 2.102 20 30 CEEDLO Cc1c(NN=Cc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000755696734 574751078 /nfs/dbraw/zinc/75/10/78/574751078.db2.gz AWZDGTHWGINBOE-UHFFFAOYSA-N 1 2 259.269 2.083 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(C#N)ccc1F ZINC000743484018 575104727 /nfs/dbraw/zinc/10/47/27/575104727.db2.gz JXGQXPWBXLAOMP-GFCCVEGCSA-N 1 2 256.284 2.231 20 30 CEEDLO C#CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000743690622 575108658 /nfs/dbraw/zinc/10/86/58/575108658.db2.gz QZRWPQALAIMFAC-HNNXBMFYSA-N 1 2 296.374 2.222 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnccc2C)c1 ZINC000746448668 575156285 /nfs/dbraw/zinc/15/62/85/575156285.db2.gz COFXQOKCXGCYQQ-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnccc2C)c1 ZINC000746448668 575156286 /nfs/dbraw/zinc/15/62/86/575156286.db2.gz COFXQOKCXGCYQQ-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(Cl)c(F)c1 ZINC000747636365 575172952 /nfs/dbraw/zinc/17/29/52/575172952.db2.gz ZRYJNAQVCPMXOH-UHFFFAOYSA-N 1 2 295.705 2.306 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000747958710 575177182 /nfs/dbraw/zinc/17/71/82/575177182.db2.gz AGNIVLDKBXAWMU-UHFFFAOYSA-N 1 2 292.404 2.228 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000747958710 575177183 /nfs/dbraw/zinc/17/71/83/575177183.db2.gz AGNIVLDKBXAWMU-UHFFFAOYSA-N 1 2 292.404 2.228 20 30 CEEDLO CO[C@H](C)C(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000747868366 575176089 /nfs/dbraw/zinc/17/60/89/575176089.db2.gz VGISRUICPAPNTH-SECBINFHSA-N 1 2 297.742 2.276 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000750086360 575246233 /nfs/dbraw/zinc/24/62/33/575246233.db2.gz AUKAEODIEXYJMM-INIZCTEOSA-N 1 2 296.370 2.242 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000750086360 575246234 /nfs/dbraw/zinc/24/62/34/575246234.db2.gz AUKAEODIEXYJMM-INIZCTEOSA-N 1 2 296.370 2.242 20 30 CEEDLO Cc1nc2[nH]ccc2c(NCCNc2ccc(C#N)cn2)[nH+]1 ZINC000751219562 575285053 /nfs/dbraw/zinc/28/50/53/575285053.db2.gz LVASCXROVCCADN-UHFFFAOYSA-N 1 2 293.334 2.057 20 30 CEEDLO N#Cc1cc(F)ccc1COC(=O)CCc1ccc(N)[nH+]c1 ZINC000751459225 575289477 /nfs/dbraw/zinc/28/94/77/575289477.db2.gz BYBFFYJFSVSWIP-UHFFFAOYSA-N 1 2 299.305 2.351 20 30 CEEDLO COc1cccc(O)c1/C=N/[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753637935 575333281 /nfs/dbraw/zinc/33/32/81/575333281.db2.gz GKKBFVNJHIPTJM-MDBUFAAASA-N 1 2 297.358 2.494 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2C)C1 ZINC000949598164 612992541 /nfs/dbraw/zinc/99/25/41/612992541.db2.gz HERXSXCGKPUWBG-UHFFFAOYSA-N 1 2 270.376 2.165 20 30 CEEDLO 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/nfs/dbraw/zinc/29/78/20/613297820.db2.gz VCWVLDFJCNMBFC-UHFFFAOYSA-N 1 2 298.390 2.057 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC000969490675 613371454 /nfs/dbraw/zinc/37/14/54/613371454.db2.gz PQTGSFSWKUEQOH-LLVKDONJSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000970305046 613371586 /nfs/dbraw/zinc/37/15/86/613371586.db2.gz WVYIBSDABBRZIK-NDBYEHHHSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC000970451223 613371646 /nfs/dbraw/zinc/37/16/46/613371646.db2.gz ZTNUZEDMGLSDBP-NQBHXWOUSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccn2CC)C1 ZINC000970880300 613371853 /nfs/dbraw/zinc/37/18/53/613371853.db2.gz LOYGLUWDLJPZMG-GFCCVEGCSA-N 1 2 295.814 2.311 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc(C)oc2C)C1 ZINC000970624405 613371897 /nfs/dbraw/zinc/37/18/97/613371897.db2.gz BSOUROZXWCKTJR-SECBINFHSA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cncc(C)c2)C1 ZINC000969435918 613372321 /nfs/dbraw/zinc/37/23/21/613372321.db2.gz OIBWISGVOGRNER-LBPRGKRZSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cncc(F)c2)C1 ZINC000969469724 613372346 /nfs/dbraw/zinc/37/23/46/613372346.db2.gz QCVYQUDOYKLKLF-JTQLQIEISA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)sn2)C1 ZINC000969564450 613372412 /nfs/dbraw/zinc/37/24/12/613372412.db2.gz NSFNTTOAOHATTG-JTQLQIEISA-N 1 2 299.827 2.254 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC000981039921 613373096 /nfs/dbraw/zinc/37/30/96/613373096.db2.gz RWIVXLXUNZUKNU-AATRIKPKSA-N 1 2 293.798 2.315 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC000981039921 613373097 /nfs/dbraw/zinc/37/30/97/613373097.db2.gz RWIVXLXUNZUKNU-AATRIKPKSA-N 1 2 293.798 2.315 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000966203426 613375683 /nfs/dbraw/zinc/37/56/83/613375683.db2.gz YAPMLMYULWNPQX-ZWNOBZJWSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000966203426 613375684 /nfs/dbraw/zinc/37/56/84/613375684.db2.gz YAPMLMYULWNPQX-ZWNOBZJWSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC000964609632 613375762 /nfs/dbraw/zinc/37/57/62/613375762.db2.gz ZSUDBWJAPRTZKA-ZWNOBZJWSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC000964609632 613375763 /nfs/dbraw/zinc/37/57/63/613375763.db2.gz ZSUDBWJAPRTZKA-ZWNOBZJWSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000966203422 613377955 /nfs/dbraw/zinc/37/79/55/613377955.db2.gz YAPMLMYULWNPQX-GXFFZTMASA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000966203422 613377956 /nfs/dbraw/zinc/37/79/56/613377956.db2.gz YAPMLMYULWNPQX-GXFFZTMASA-N 1 2 281.787 2.207 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(COC)cc2)C1 ZINC000957366972 613657504 /nfs/dbraw/zinc/65/75/04/613657504.db2.gz BAACOHOSAQMDMH-UHFFFAOYSA-N 1 2 288.391 2.165 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000957733965 613706752 /nfs/dbraw/zinc/70/67/52/613706752.db2.gz LBAWZMXWUVZSIP-UHFFFAOYSA-N 1 2 262.397 2.287 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000948764803 613707388 /nfs/dbraw/zinc/70/73/88/613707388.db2.gz HAQMGMQDGQYTPK-UHFFFAOYSA-N 1 2 264.394 2.011 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000949732865 613708835 /nfs/dbraw/zinc/70/88/35/613708835.db2.gz ACDBYKCTOJOPLW-ZIAGYGMSSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000949925220 613711307 /nfs/dbraw/zinc/71/13/07/613711307.db2.gz WIGHFRCBGWMWFN-ZIAGYGMSSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 ZINC000951587745 613711808 /nfs/dbraw/zinc/71/18/08/613711808.db2.gz GNOOKEZVYQSBDW-ZIAGYGMSSA-N 1 2 290.432 2.490 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)c2c(C)noc2C)CC1 ZINC000951758877 613712355 /nfs/dbraw/zinc/71/23/55/613712355.db2.gz YVKZLGBAGADCII-CQSZACIVSA-N 1 2 291.395 2.115 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Cc2cccs2)CC1 ZINC000951103933 613712372 /nfs/dbraw/zinc/71/23/72/613712372.db2.gz KYJKLLWZTPCCDP-CYBMUJFWSA-N 1 2 278.421 2.257 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(C)C)cn2)CC1 ZINC000950491000 613715709 /nfs/dbraw/zinc/71/57/09/613715709.db2.gz GUEYGERXORTSFG-UHFFFAOYSA-N 1 2 273.380 2.149 20 30 CEEDLO C(#Cc1ccccc1)C[NH2+]Cc1nnc2n1CCCCC2 ZINC000892416316 625291931 /nfs/dbraw/zinc/29/19/31/625291931.db2.gz UVYDXNGFRJEZFD-UHFFFAOYSA-N 1 2 280.375 2.146 20 30 CEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001024552953 625631896 /nfs/dbraw/zinc/63/18/96/625631896.db2.gz OANHQRPXKUDHBF-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001024552953 625631910 /nfs/dbraw/zinc/63/19/10/625631910.db2.gz OANHQRPXKUDHBF-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO CCn1c[nH+]c2c1CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC000933253173 623555714 /nfs/dbraw/zinc/55/57/14/623555714.db2.gz CKESDHPDLLMDJN-UHFFFAOYSA-N 1 2 284.338 2.472 20 30 CEEDLO COc1ccc(OC)c(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000078461218 623697867 /nfs/dbraw/zinc/69/78/67/623697867.db2.gz IPTWCTZHCZIYDE-GQCTYLIASA-N 1 2 258.277 2.323 20 30 CEEDLO Cc1cc(C#N)cc(C)c1C(=O)NCCCn1cc[nH+]c1 ZINC000891595669 623814714 /nfs/dbraw/zinc/81/47/14/623814714.db2.gz CZSDZAZVWMJXOZ-UHFFFAOYSA-N 1 2 282.347 2.192 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328931243 623962126 /nfs/dbraw/zinc/96/21/26/623962126.db2.gz HTZCSHRDQGYVNK-GVXVVHGQSA-N 1 2 258.325 2.094 20 30 CEEDLO COc1c(O)ccc(C[NH+]2CCC(C#N)CC2)c1[N+](=O)[O-] ZINC000891852293 624028292 /nfs/dbraw/zinc/02/82/92/624028292.db2.gz KICSRLQNZNKXTD-UHFFFAOYSA-N 1 2 291.307 2.045 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1c(Br)cnn1C ZINC000934461431 624512187 /nfs/dbraw/zinc/51/21/87/624512187.db2.gz XXFMMRPESVEAKO-SECBINFHSA-N 1 2 270.174 2.333 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(COC(C)C)no1 ZINC000934462414 624509911 /nfs/dbraw/zinc/50/99/11/624509911.db2.gz QIYGBNAHWPTWRC-LLVKDONJSA-N 1 2 251.330 2.145 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(COC(C)C)no1 ZINC000934462414 624509917 /nfs/dbraw/zinc/50/99/17/624509917.db2.gz QIYGBNAHWPTWRC-LLVKDONJSA-N 1 2 251.330 2.145 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1c(Br)cnn1C ZINC000934461431 624512185 /nfs/dbraw/zinc/51/21/85/624512185.db2.gz XXFMMRPESVEAKO-SECBINFHSA-N 1 2 270.174 2.333 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000934464480 624514765 /nfs/dbraw/zinc/51/47/65/624514765.db2.gz OVSFQQNCBCWSIM-CYBMUJFWSA-N 1 2 265.378 2.241 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000934464480 624514769 /nfs/dbraw/zinc/51/47/69/624514769.db2.gz OVSFQQNCBCWSIM-CYBMUJFWSA-N 1 2 265.378 2.241 20 30 CEEDLO CC(C)C#CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000820412326 634401670 /nfs/dbraw/zinc/40/16/70/634401670.db2.gz 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WIZLEKHWRCRACF-UHFFFAOYSA-N 1 2 261.325 2.327 20 30 CEEDLO Cc1nocc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877563700 650791721 /nfs/dbraw/zinc/79/17/21/650791721.db2.gz RIBUAPJBHDDGAM-UHFFFAOYSA-N 1 2 262.700 2.193 20 30 CEEDLO CC1(C)C[N@H+](Cc2cc(C#N)cnc2Cl)[C@@H]2COC[C@@H]21 ZINC000877576432 650797497 /nfs/dbraw/zinc/79/74/97/650797497.db2.gz KRRADOAPQIBIHN-QWHCGFSZSA-N 1 2 291.782 2.463 20 30 CEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@@H]2COC[C@@H]21 ZINC000877576432 650797498 /nfs/dbraw/zinc/79/74/98/650797498.db2.gz KRRADOAPQIBIHN-QWHCGFSZSA-N 1 2 291.782 2.463 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1ccccn1 ZINC000851796592 643167238 /nfs/dbraw/zinc/16/72/38/643167238.db2.gz ACXILOSRTKQHLR-HNNXBMFYSA-N 1 2 261.369 2.377 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1ccccn1 ZINC000851796592 643167240 /nfs/dbraw/zinc/16/72/40/643167240.db2.gz ACXILOSRTKQHLR-HNNXBMFYSA-N 1 2 261.369 2.377 20 30 CEEDLO N#C[C@@]1(C(=O)OCc2ccc[nH+]c2N)CC12CCCC2 ZINC000922770349 643256244 /nfs/dbraw/zinc/25/62/44/643256244.db2.gz GSAHVDQTJFZVGP-OAHLLOKOSA-N 1 2 271.320 2.181 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)C1CCOCC1 ZINC000877638158 650828481 /nfs/dbraw/zinc/82/84/81/650828481.db2.gz TXJSMNOPSCUXDY-CYBMUJFWSA-N 1 2 281.302 2.188 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCc3cccnc32)nn1 ZINC000922876672 643302473 /nfs/dbraw/zinc/30/24/73/643302473.db2.gz ZAZPPTUVJSWCMV-OAHLLOKOSA-N 1 2 283.379 2.416 20 30 CEEDLO Cc1nonc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000852562904 643474425 /nfs/dbraw/zinc/47/44/25/643474425.db2.gz MDPPSBYYHBNPAQ-UHFFFAOYSA-N 1 2 298.346 2.045 20 30 CEEDLO CCC(=NNCCCn1cc[nH+]c1)c1cccc(OC)n1 ZINC000853372216 643758520 /nfs/dbraw/zinc/75/85/20/643758520.db2.gz KDIARUYKMKBEAL-UHFFFAOYSA-N 1 2 287.367 2.081 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H](O)CC ZINC000853449405 643774205 /nfs/dbraw/zinc/77/42/05/643774205.db2.gz UBZFCXJZBFULDK-CYBMUJFWSA-N 1 2 262.353 2.447 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)C[C@@H](C)O ZINC000853475784 643781997 /nfs/dbraw/zinc/78/19/97/643781997.db2.gz WIYKISFLFAAKHC-CHWSQXEVSA-N 1 2 262.353 2.445 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@@H](O)C1(C)C ZINC000853486297 643786051 /nfs/dbraw/zinc/78/60/51/643786051.db2.gz UGMJDOYXMRJDPZ-ZIAGYGMSSA-N 1 2 274.364 2.445 20 30 CEEDLO CC(C)[C@H]1CCN(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524760 643801814 /nfs/dbraw/zinc/80/18/14/643801814.db2.gz PUKKRELWTVQKTJ-UONOGXRCSA-N 1 2 263.385 2.074 20 30 CEEDLO CC(C)[C@H]1CCN(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524760 643801815 /nfs/dbraw/zinc/80/18/15/643801815.db2.gz PUKKRELWTVQKTJ-UONOGXRCSA-N 1 2 263.385 2.074 20 30 CEEDLO C=CC[N@H+](CN1CC2(CCCC2)CC1=O)[C@@H](C)COC ZINC000853535319 643805211 /nfs/dbraw/zinc/80/52/11/643805211.db2.gz STBZSMSRHRLGQO-AWEZNQCLSA-N 1 2 280.412 2.260 20 30 CEEDLO C=CC[N@@H+](CN1CC2(CCCC2)CC1=O)[C@@H](C)COC ZINC000853535319 643805215 /nfs/dbraw/zinc/80/52/15/643805215.db2.gz STBZSMSRHRLGQO-AWEZNQCLSA-N 1 2 280.412 2.260 20 30 CEEDLO Cc1[nH+]c2cc(OCCO[C@@H](C)C#N)ccc2n1C ZINC000853706574 643872064 /nfs/dbraw/zinc/87/20/64/643872064.db2.gz NAUSHFPCWGUZEW-JTQLQIEISA-N 1 2 259.309 2.189 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@]1(C)OC ZINC000853967738 643958387 /nfs/dbraw/zinc/95/83/87/643958387.db2.gz NAIQYTQTNOOFAP-HIFRSBDPSA-N 1 2 260.337 2.463 20 30 CEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000103139658 643974620 /nfs/dbraw/zinc/97/46/20/643974620.db2.gz NFYGXEQNKBONDW-UHFFFAOYSA-N 1 2 276.311 2.036 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839132536 644168978 /nfs/dbraw/zinc/16/89/78/644168978.db2.gz HJRRDFHYYXYPBS-UHFFFAOYSA-N 1 2 261.365 2.454 20 30 CEEDLO C#CC[C@@H]([NH2+][C@@H](CC)Cc1ccccc1)C(=O)OC ZINC000839167856 644176684 /nfs/dbraw/zinc/17/66/84/644176684.db2.gz HCXUBZSNRSYMSI-LSDHHAIUSA-N 1 2 259.349 2.162 20 30 CEEDLO C#CC[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)OC ZINC000839167429 644176811 /nfs/dbraw/zinc/17/68/11/644176811.db2.gz DHFXRXZKWRSXPP-GUTXKFCHSA-N 1 2 259.349 2.333 20 30 CEEDLO C#CC[C@H]([NH2+][C@H](C)[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000839169376 644178150 /nfs/dbraw/zinc/17/81/50/644178150.db2.gz RZIDPXOPELMCDN-CRWXNKLISA-N 1 2 251.370 2.356 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OC ZINC000839169989 644179417 /nfs/dbraw/zinc/17/94/17/644179417.db2.gz VIQORIWZNPZFLM-BMFZPTHFSA-N 1 2 286.375 2.262 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854988708 644224854 /nfs/dbraw/zinc/22/48/54/644224854.db2.gz GRQMVMHZVAEFQQ-LLVKDONJSA-N 1 2 268.320 2.043 20 30 CEEDLO CN1C(=O)CCc2cc(C(=O)/C=C/c3[nH]cc[nH+]3)ccc21 ZINC000754689656 644415547 /nfs/dbraw/zinc/41/55/47/644415547.db2.gz KGYAALCOQBXLGQ-AATRIKPKSA-N 1 2 281.315 2.215 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C)nc1Cl ZINC000856770010 644716482 /nfs/dbraw/zinc/71/64/82/644716482.db2.gz BNJKXTDJRAQRRD-UHFFFAOYSA-N 1 2 289.766 2.375 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000757831843 644849690 /nfs/dbraw/zinc/84/96/90/644849690.db2.gz UUWOVNDSOYSSMJ-OLZOCXBDSA-N 1 2 271.405 2.024 20 30 CEEDLO CC(C)n1c[nH+]cc1CN=Nc1ncc(Cl)cn1 ZINC000857220569 644853918 /nfs/dbraw/zinc/85/39/18/644853918.db2.gz KRZZNADTCCKEOY-UHFFFAOYSA-N 1 2 264.720 2.353 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCOc1ccccc1OC ZINC000877984467 650966671 /nfs/dbraw/zinc/96/66/71/650966671.db2.gz HJVOQBLODQCCEQ-ZDUSSCGKSA-N 1 2 293.363 2.124 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccccc1OC ZINC000877984467 650966672 /nfs/dbraw/zinc/96/66/72/650966672.db2.gz HJVOQBLODQCCEQ-ZDUSSCGKSA-N 1 2 293.363 2.124 20 30 CEEDLO N#Cc1ccc(C2(C(=O)N[C@@H]3CCn4c[nH+]cc43)CC2)cc1 ZINC000857982084 645033994 /nfs/dbraw/zinc/03/39/94/645033994.db2.gz MJEIPIMVCKDCPY-CQSZACIVSA-N 1 2 292.342 2.048 20 30 CEEDLO N#Cc1ccc(COC(=O)CCc2ccc(N)[nH+]c2)c(F)c1 ZINC000759816035 645079363 /nfs/dbraw/zinc/07/93/63/645079363.db2.gz UUTIHUPJKHTRBL-UHFFFAOYSA-N 1 2 299.305 2.351 20 30 CEEDLO C=C1CC[NH+](CCCS(=O)(=O)C(C)(C)C)CC1 ZINC000878087691 650994075 /nfs/dbraw/zinc/99/40/75/650994075.db2.gz URTSUUVSOVDQQS-UHFFFAOYSA-N 1 2 259.415 2.242 20 30 CEEDLO COCC[N@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761193423 645256319 /nfs/dbraw/zinc/25/63/19/645256319.db2.gz BPMSDLRUMFQFPG-UHFFFAOYSA-N 1 2 299.415 2.152 20 30 CEEDLO COCC[N@@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761193423 645256320 /nfs/dbraw/zinc/25/63/20/645256320.db2.gz BPMSDLRUMFQFPG-UHFFFAOYSA-N 1 2 299.415 2.152 20 30 CEEDLO Oc1cccc(/C=N\Cc2ccn3cc[nH+]c3c2)c1O ZINC000761785805 645316361 /nfs/dbraw/zinc/31/63/61/645316361.db2.gz LBGBJGPIJUGFGA-YBEGLDIGSA-N 1 2 267.288 2.365 20 30 CEEDLO C=CCN(C(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000762398501 645407386 /nfs/dbraw/zinc/40/73/86/645407386.db2.gz OATJYTMSLMBQKA-UHFFFAOYSA-N 1 2 272.352 2.440 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)[C@H]1CCCO1 ZINC000859258504 645439179 /nfs/dbraw/zinc/43/91/79/645439179.db2.gz OYAZDKDRPLVWLU-ZIAGYGMSSA-N 1 2 265.740 2.316 20 30 CEEDLO CC(C)(C)c1nc(C#N)c(N=NCc2ccc[nH+]c2N)o1 ZINC000764682266 645674494 /nfs/dbraw/zinc/67/44/94/645674494.db2.gz RRSMZSCSFUFDJI-UHFFFAOYSA-N 1 2 284.323 2.267 20 30 CEEDLO CC1(C)CN=C(N2CC[NH+](CC3(CC#N)CC3)CC2)S1 ZINC000878253945 651046891 /nfs/dbraw/zinc/04/68/91/651046891.db2.gz LQXJYUGCPWPILM-UHFFFAOYSA-N 1 2 292.452 2.179 20 30 CEEDLO N#Cc1c2c(cn(C[N@@H+]3CCCC4(CC4)C3)c1=O)CCC2 ZINC000766634087 645906481 /nfs/dbraw/zinc/90/64/81/645906481.db2.gz KOLFPAGIFPQYLT-UHFFFAOYSA-N 1 2 283.375 2.042 20 30 CEEDLO N#Cc1c2c(cn(C[N@H+]3CCCC4(CC4)C3)c1=O)CCC2 ZINC000766634087 645906484 /nfs/dbraw/zinc/90/64/84/645906484.db2.gz KOLFPAGIFPQYLT-UHFFFAOYSA-N 1 2 283.375 2.042 20 30 CEEDLO COc1ccc(CNN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771099724 646491002 /nfs/dbraw/zinc/49/10/02/646491002.db2.gz ZDIIVXDLTGCMOI-UHFFFAOYSA-N 1 2 280.331 2.467 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000862544203 646491297 /nfs/dbraw/zinc/49/12/97/646491297.db2.gz UBXBWIQKAOWOEN-GFCCVEGCSA-N 1 2 255.321 2.373 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000862565624 646504197 /nfs/dbraw/zinc/50/41/97/646504197.db2.gz UCNLBCDKEWGEPR-CQSZACIVSA-N 1 2 281.359 2.057 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)C1CC1 ZINC000771641075 646540643 /nfs/dbraw/zinc/54/06/43/646540643.db2.gz SNNRDCGHKPVKTH-HNNXBMFYSA-N 1 2 264.369 2.016 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)C1CC1 ZINC000771641075 646540646 /nfs/dbraw/zinc/54/06/46/646540646.db2.gz SNNRDCGHKPVKTH-HNNXBMFYSA-N 1 2 264.369 2.016 20 30 CEEDLO CN(C)c1cc(F)c(C=[NH+]N[C@@H]2CCCOC2)cc1F ZINC000863107884 646637965 /nfs/dbraw/zinc/63/79/65/646637965.db2.gz CBYZKGLDWKNCQW-LLVKDONJSA-N 1 2 283.322 2.133 20 30 CEEDLO C#CCCC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000863368447 646714301 /nfs/dbraw/zinc/71/43/01/646714301.db2.gz JZGVHUMYVFMCII-HNNXBMFYSA-N 1 2 277.339 2.303 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)[C@H]1CCCO1 ZINC000775340525 646942772 /nfs/dbraw/zinc/94/27/72/646942772.db2.gz HAKAOSYDUMJWKP-UKRRQHHQSA-N 1 2 299.399 2.476 20 30 CEEDLO C#C[C@H]([NH2+]Cc1csc(C2CC2)n1)[C@@H]1CCCO1 ZINC000775343782 646943659 /nfs/dbraw/zinc/94/36/59/646943659.db2.gz XYQNEUXIUMFOCC-STQMWFEESA-N 1 2 262.378 2.291 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)[C@H]1CCCO1 ZINC000775788100 646992373 /nfs/dbraw/zinc/99/23/73/646992373.db2.gz CHFKVCOHRPZSMQ-DGCLKSJQSA-N 1 2 274.295 2.237 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000775791800 646993204 /nfs/dbraw/zinc/99/32/04/646993204.db2.gz XDUYKFYBIVPSQP-HOTGVXAUSA-N 1 2 273.380 2.269 20 30 CEEDLO COc1ccc(N=NCc2cccc3[nH+]ccn32)nc1 ZINC000780267296 647409164 /nfs/dbraw/zinc/40/91/64/647409164.db2.gz JMHBJQYZYHPVHM-UHFFFAOYSA-N 1 2 267.292 2.184 20 30 CEEDLO Cn1c[nH+]cc1CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865814816 647475913 /nfs/dbraw/zinc/47/59/13/647475913.db2.gz NIWKJFWDOQTQOI-UHFFFAOYSA-N 1 2 281.241 2.318 20 30 CEEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000782594356 647641355 /nfs/dbraw/zinc/64/13/55/647641355.db2.gz XLIDCEXUAFTSBY-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000782594356 647641357 /nfs/dbraw/zinc/64/13/57/647641357.db2.gz XLIDCEXUAFTSBY-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@H]1C[C@H](CO[NH+]=C(N)c2ccc(F)cc2)CCO1 ZINC000783011684 647670129 /nfs/dbraw/zinc/67/01/29/647670129.db2.gz UUJISEUHIRIOJG-WDEREUQCSA-N 1 2 266.316 2.278 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C#N)c1O ZINC000866266584 647704697 /nfs/dbraw/zinc/70/46/97/647704697.db2.gz KWGHCCJWPYRVLB-ZLKJLUDKSA-N 1 2 260.337 2.218 20 30 CEEDLO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cccc(C#N)c1O ZINC000866274805 647712295 /nfs/dbraw/zinc/71/22/95/647712295.db2.gz UCDFCCXXRKIDFM-OLZOCXBDSA-N 1 2 273.380 2.399 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(C#N)c1O ZINC000866306934 647727931 /nfs/dbraw/zinc/72/79/31/647727931.db2.gz XKTXDAWHUWVIHV-MFKMUULPSA-N 1 2 282.347 2.195 20 30 CEEDLO C[C@@H]([NH2+]CCCCCCO)c1cccc(C#N)c1O ZINC000866313704 647733088 /nfs/dbraw/zinc/73/30/88/647733088.db2.gz GRAHKFFYMMZSPP-GFCCVEGCSA-N 1 2 262.353 2.467 20 30 CEEDLO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(C#N)c1O ZINC000866353430 647752401 /nfs/dbraw/zinc/75/24/01/647752401.db2.gz SQBPVHSOAARWMF-YBTHPKLGSA-N 1 2 292.404 2.216 20 30 CEEDLO C[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(C#N)c1O ZINC000866355300 647752428 /nfs/dbraw/zinc/75/24/28/647752428.db2.gz UROAYHXNXJRXHS-LLVKDONJSA-N 1 2 260.337 2.220 20 30 CEEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C(C)(C)O ZINC000866364015 647757031 /nfs/dbraw/zinc/75/70/31/647757031.db2.gz PGQGMHPRJFSUBI-MFKMUULPSA-N 1 2 262.353 2.464 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000866364703 647757447 /nfs/dbraw/zinc/75/74/47/647757447.db2.gz TXEODDIBWROKLP-GWCFXTLKSA-N 1 2 260.337 2.482 20 30 CEEDLO C=CCCN(OCc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000783874147 647773543 /nfs/dbraw/zinc/77/35/43/647773543.db2.gz WVUVIZIBTRSRMT-UHFFFAOYSA-N 1 2 299.374 2.499 20 30 CEEDLO CCC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866414506 647779427 /nfs/dbraw/zinc/77/94/27/647779427.db2.gz HFTODNDSAVGPKK-WCQYABFASA-N 1 2 262.353 2.466 20 30 CEEDLO C#CC1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000869105985 648351923 /nfs/dbraw/zinc/35/19/23/648351923.db2.gz BLRDASOIDBBFPW-QGZVFWFLSA-N 1 2 297.402 2.228 20 30 CEEDLO C#CC1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000869105985 648351928 /nfs/dbraw/zinc/35/19/28/648351928.db2.gz BLRDASOIDBBFPW-QGZVFWFLSA-N 1 2 297.402 2.228 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc(O)c(Cl)c1 ZINC000790301062 648403734 /nfs/dbraw/zinc/40/37/34/648403734.db2.gz AZYXERSTRFGUSS-UHFFFAOYSA-N 1 2 250.689 2.225 20 30 CEEDLO COc1cc(C(C)=NNc2[nH+]ccn2C)ccc1F ZINC000790300079 648403946 /nfs/dbraw/zinc/40/39/46/648403946.db2.gz PLVXBSUROCEQFF-UHFFFAOYSA-N 1 2 262.288 2.404 20 30 CEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000790302287 648405008 /nfs/dbraw/zinc/40/50/08/648405008.db2.gz OJUYBMOENTYWNE-UHFFFAOYSA-N 1 2 273.296 2.473 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000791022713 648473292 /nfs/dbraw/zinc/47/32/92/648473292.db2.gz NZAFMPKFZUCJRE-CYBMUJFWSA-N 1 2 289.379 2.308 20 30 CEEDLO C#CC[N@@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000792304998 648637236 /nfs/dbraw/zinc/63/72/36/648637236.db2.gz CFRFOOYKFJBGLH-AWEZNQCLSA-N 1 2 274.339 2.195 20 30 CEEDLO C#CC[N@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000792304998 648637239 /nfs/dbraw/zinc/63/72/39/648637239.db2.gz CFRFOOYKFJBGLH-AWEZNQCLSA-N 1 2 274.339 2.195 20 30 CEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ncncc1F ZINC000793198889 648722155 /nfs/dbraw/zinc/72/21/55/648722155.db2.gz HEBPEAFEEAZTBS-UHFFFAOYSA-N 1 2 285.326 2.419 20 30 CEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070897 648994554 /nfs/dbraw/zinc/99/45/54/648994554.db2.gz PYQVNEIPZVRRGA-CQSZACIVSA-N 1 2 297.362 2.247 20 30 CEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070897 648994558 /nfs/dbraw/zinc/99/45/58/648994558.db2.gz PYQVNEIPZVRRGA-CQSZACIVSA-N 1 2 297.362 2.247 20 30 CEEDLO CCc1csc(SC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000871990073 649237947 /nfs/dbraw/zinc/23/79/47/649237947.db2.gz RKEBZGWUOBIZIB-NSHDSACASA-N 1 2 285.438 2.004 20 30 CEEDLO CCc1csc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000871990073 649237950 /nfs/dbraw/zinc/23/79/50/649237950.db2.gz RKEBZGWUOBIZIB-NSHDSACASA-N 1 2 285.438 2.004 20 30 CEEDLO C=C(Br)CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000874213973 649754434 /nfs/dbraw/zinc/75/44/34/649754434.db2.gz MBHGGPQIFHWQHN-LLVKDONJSA-N 1 2 287.201 2.028 20 30 CEEDLO C=C(Br)CNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000874213973 649754438 /nfs/dbraw/zinc/75/44/38/649754438.db2.gz MBHGGPQIFHWQHN-LLVKDONJSA-N 1 2 287.201 2.028 20 30 CEEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000878564852 651131745 /nfs/dbraw/zinc/13/17/45/651131745.db2.gz FBFYCABMMVVDKR-ZDUSSCGKSA-N 1 2 288.351 2.091 20 30 CEEDLO C#CCN(Cc1c[nH+]cn1Cc1ccccc1)C1CSC1 ZINC000878909939 651207588 /nfs/dbraw/zinc/20/75/88/651207588.db2.gz KXUAPVRAYGEINV-UHFFFAOYSA-N 1 2 297.427 2.482 20 30 CEEDLO C#CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CSC1 ZINC000878914432 651208935 /nfs/dbraw/zinc/20/89/35/651208935.db2.gz VDQAZNQJADQTAW-UHFFFAOYSA-N 1 2 293.363 2.285 20 30 CEEDLO C#CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CSC1 ZINC000878914432 651208937 /nfs/dbraw/zinc/20/89/37/651208937.db2.gz VDQAZNQJADQTAW-UHFFFAOYSA-N 1 2 293.363 2.285 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879767970 651349111 /nfs/dbraw/zinc/34/91/11/651349111.db2.gz RSIOKMXOTDTRNA-GFCCVEGCSA-N 1 2 290.794 2.144 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879767970 651349112 /nfs/dbraw/zinc/34/91/12/651349112.db2.gz RSIOKMXOTDTRNA-GFCCVEGCSA-N 1 2 290.794 2.144 20 30 CEEDLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000880310256 651422181 /nfs/dbraw/zinc/42/21/81/651422181.db2.gz ZTHKGXHMVUHISU-LLVKDONJSA-N 1 2 274.242 2.304 20 30 CEEDLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000880310256 651422182 /nfs/dbraw/zinc/42/21/82/651422182.db2.gz ZTHKGXHMVUHISU-LLVKDONJSA-N 1 2 274.242 2.304 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc[nH+]cc2F)n1 ZINC000882277711 652016828 /nfs/dbraw/zinc/01/68/28/652016828.db2.gz FAXMDIQJZPISGQ-UHFFFAOYSA-N 1 2 258.300 2.077 20 30 CEEDLO C#CC1(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCCC1 ZINC000882532010 652124097 /nfs/dbraw/zinc/12/40/97/652124097.db2.gz CJRDNLBVUFXHMJ-LLVKDONJSA-N 1 2 299.296 2.439 20 30 CEEDLO CC#CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883625572 652516549 /nfs/dbraw/zinc/51/65/49/652516549.db2.gz DCQRCYQKWMJQEC-INIZCTEOSA-N 1 2 296.374 2.337 20 30 CEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112151768 805574896 /nfs/dbraw/zinc/57/48/96/805574896.db2.gz WIMSKVPFFZLMNQ-UHFFFAOYSA-N 1 2 290.411 2.282 20 30 CEEDLO C=C(C)C(=O)OCCNc1cc(SC)[nH+]c(C)n1 ZINC001168069994 806045757 /nfs/dbraw/zinc/04/57/57/806045757.db2.gz CPIPMYNGTDPQDT-UHFFFAOYSA-N 1 2 267.354 2.038 20 30 CEEDLO C[C@H](Cc1ccc(Cl)cc1)N1CC[NH2+]C[C@H]1C#N ZINC001168185151 806385120 /nfs/dbraw/zinc/38/51/20/806385120.db2.gz XIMDVKKCQXCIGK-BXUZGUMPSA-N 1 2 263.772 2.068 20 30 CEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCO[C@H](C(F)(F)F)C3)c12 ZINC001167086022 802432827 /nfs/dbraw/zinc/43/28/27/802432827.db2.gz WXJLSHZXLIIPRF-JTQLQIEISA-N 1 2 296.252 2.202 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039062601 802469527 /nfs/dbraw/zinc/46/95/27/802469527.db2.gz UHQXNKNOSFMRKH-KRWDZBQOSA-N 1 2 282.387 2.391 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039062601 802469536 /nfs/dbraw/zinc/46/95/36/802469536.db2.gz UHQXNKNOSFMRKH-KRWDZBQOSA-N 1 2 282.387 2.391 20 30 CEEDLO CCCCN(CC#N)c1cc(-n2cc[nH+]c2)ccn1 ZINC001167128464 802517542 /nfs/dbraw/zinc/51/75/42/802517542.db2.gz BNEFOPFZVVIPOI-UHFFFAOYSA-N 1 2 255.325 2.397 20 30 CEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)C(C)C ZINC001266421305 802553332 /nfs/dbraw/zinc/55/33/32/802553332.db2.gz TUBSDBKXAOSMNW-LBPRGKRZSA-N 1 2 260.809 2.469 20 30 CEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)C(C)C ZINC001266421305 802553337 /nfs/dbraw/zinc/55/33/37/802553337.db2.gz TUBSDBKXAOSMNW-LBPRGKRZSA-N 1 2 260.809 2.469 20 30 CEEDLO C[C@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)c2ncnn21 ZINC000922236765 809073687 /nfs/dbraw/zinc/07/36/87/809073687.db2.gz FJCRXFJMWPJXDZ-KWQFWETISA-N 1 2 259.338 2.007 20 30 CEEDLO C=CCC[N@@H+](CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001266592512 802751794 /nfs/dbraw/zinc/75/17/94/802751794.db2.gz RPHGHPMVHXEOHL-JTQLQIEISA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@H+](CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001266592512 802751799 /nfs/dbraw/zinc/75/17/99/802751799.db2.gz RPHGHPMVHXEOHL-JTQLQIEISA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@@H+](CCNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001266592512 802751803 /nfs/dbraw/zinc/75/18/03/802751803.db2.gz RPHGHPMVHXEOHL-JTQLQIEISA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@H+](CCNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001266592512 802751808 /nfs/dbraw/zinc/75/18/08/802751808.db2.gz RPHGHPMVHXEOHL-JTQLQIEISA-N 1 2 282.281 2.044 20 30 CEEDLO CCOC(=O)c1cc(NCc2cc[nH+]c(N)c2)ccc1C#N ZINC001167618896 803206432 /nfs/dbraw/zinc/20/64/32/803206432.db2.gz PIMAHWHIEGDJTM-UHFFFAOYSA-N 1 2 296.330 2.324 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC001038250499 803264555 /nfs/dbraw/zinc/26/45/55/803264555.db2.gz AYZJPNGUOLDNNK-JTQLQIEISA-N 1 2 296.292 2.201 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC001038250499 803264561 /nfs/dbraw/zinc/26/45/61/803264561.db2.gz AYZJPNGUOLDNNK-JTQLQIEISA-N 1 2 296.292 2.201 20 30 CEEDLO Fc1c(F)c(F)c(O[C@H]2C[NH2+]CC2(F)F)c(F)c1F ZINC001218231655 803561874 /nfs/dbraw/zinc/56/18/74/803561874.db2.gz LPLNCZYUELEYJY-VKHMYHEASA-N 1 2 289.150 2.368 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001267653952 803644662 /nfs/dbraw/zinc/64/46/62/803644662.db2.gz HCKPTQUXVXCXAL-UHFFFAOYSA-N 1 2 297.402 2.477 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)CC(C)(C)CC(F)(F)F)C1 ZINC001267668167 803650126 /nfs/dbraw/zinc/65/01/26/803650126.db2.gz ZHKKXYFNTCKLHR-UHFFFAOYSA-N 1 2 290.329 2.179 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001267729676 803681152 /nfs/dbraw/zinc/68/11/52/803681152.db2.gz CBRMOQLYVBKFQF-ZDUSSCGKSA-N 1 2 277.368 2.030 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001267729676 803681155 /nfs/dbraw/zinc/68/11/55/803681155.db2.gz CBRMOQLYVBKFQF-ZDUSSCGKSA-N 1 2 277.368 2.030 20 30 CEEDLO C=CCCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105134472 803795980 /nfs/dbraw/zinc/79/59/80/803795980.db2.gz BJYHYEREWPJDMT-ZDUSSCGKSA-N 1 2 276.384 2.304 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001268024589 804020756 /nfs/dbraw/zinc/02/07/56/804020756.db2.gz IYRZBJOYRJQKIT-HIFRSBDPSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001268024589 804020765 /nfs/dbraw/zinc/02/07/65/804020765.db2.gz IYRZBJOYRJQKIT-HIFRSBDPSA-N 1 2 282.428 2.062 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001027717155 804215768 /nfs/dbraw/zinc/21/57/68/804215768.db2.gz QAJNFEQPHXGLHT-LLVKDONJSA-N 1 2 268.744 2.226 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001027717155 804215775 /nfs/dbraw/zinc/21/57/75/804215775.db2.gz QAJNFEQPHXGLHT-LLVKDONJSA-N 1 2 268.744 2.226 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001028033326 804405329 /nfs/dbraw/zinc/40/53/29/804405329.db2.gz HIJRVQYHTWNDCH-NSHDSACASA-N 1 2 285.750 2.101 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001028033326 804405332 /nfs/dbraw/zinc/40/53/32/804405332.db2.gz HIJRVQYHTWNDCH-NSHDSACASA-N 1 2 285.750 2.101 20 30 CEEDLO C=CCn1cc(C[NH+]2CC3(C2)CC(F)(F)C3)cn1 ZINC001139766670 804575720 /nfs/dbraw/zinc/57/57/20/804575720.db2.gz UDDIGPABLCFCOL-UHFFFAOYSA-N 1 2 253.296 2.300 20 30 CEEDLO N#CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000425979829 804730270 /nfs/dbraw/zinc/73/02/70/804730270.db2.gz LVIMGKKBCRFQCX-UHFFFAOYSA-N 1 2 258.300 2.074 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCC ZINC001268974519 805017139 /nfs/dbraw/zinc/01/71/39/805017139.db2.gz 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/nfs/dbraw/zinc/97/12/74/345971274.db2.gz QXUZRTKCSZAEIF-CYBMUJFWSA-N 1 2 260.337 2.342 20 30 CEEDLO Cc1nc(N2CC(CC#N)C2)c(Br)c(C)[nH+]1 ZINC000596431255 346021891 /nfs/dbraw/zinc/02/18/91/346021891.db2.gz CWIKUMSRGGIDOV-UHFFFAOYSA-N 1 2 281.157 2.206 20 30 CEEDLO Cc1cc(NC(=O)N2CCC[C@H](CC#N)C2)c(C)c[nH+]1 ZINC000596812346 346092743 /nfs/dbraw/zinc/09/27/43/346092743.db2.gz BFWMSDNQKOOQBC-CYBMUJFWSA-N 1 2 272.352 2.278 20 30 CEEDLO C[C@@H](CC#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000596865189 346098452 /nfs/dbraw/zinc/09/84/52/346098452.db2.gz LNIJODFMWZHLCV-ZDUSSCGKSA-N 1 2 287.363 2.007 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000597258537 346164040 /nfs/dbraw/zinc/16/40/40/346164040.db2.gz PGAODLHPCBFVMW-BRXULGCHSA-N 1 2 286.379 2.112 20 30 CEEDLO C[C@@H](CC#N)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000597310938 346169988 /nfs/dbraw/zinc/16/99/88/346169988.db2.gz RVWOITOABZTPBX-DZGCQCFKSA-N 1 2 296.374 2.370 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000597323176 346171491 /nfs/dbraw/zinc/17/14/91/346171491.db2.gz FLCYHPXJGQOHIF-KCPJHIHWSA-N 1 2 294.358 2.273 20 30 CEEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000597341030 346173834 /nfs/dbraw/zinc/17/38/34/346173834.db2.gz CFQXBFGNTNVBCG-UKRRQHHQSA-N 1 2 286.379 2.034 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464179 346361225 /nfs/dbraw/zinc/36/12/25/346361225.db2.gz GSLKMQKUGXAXAA-STQMWFEESA-N 1 2 296.374 2.348 20 30 CEEDLO CCCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(C)C ZINC000598836312 346425929 /nfs/dbraw/zinc/42/59/29/346425929.db2.gz FZCWNMPKNAIATO-DZGCQCFKSA-N 1 2 267.417 2.409 20 30 CEEDLO CC#CC[C@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599093749 346459073 /nfs/dbraw/zinc/45/90/73/346459073.db2.gz REOMPVLTOMULAQ-GFCCVEGCSA-N 1 2 285.303 2.329 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602609298 347099982 /nfs/dbraw/zinc/09/99/82/347099982.db2.gz BMMHEWCNINLTBG-OCCSQVGLSA-N 1 2 260.337 2.430 20 30 CEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552755 346536113 /nfs/dbraw/zinc/53/61/13/346536113.db2.gz ODFJUNZWNKWGGI-CYBMUJFWSA-N 1 2 293.317 2.206 20 30 CEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552755 346536116 /nfs/dbraw/zinc/53/61/16/346536116.db2.gz ODFJUNZWNKWGGI-CYBMUJFWSA-N 1 2 293.317 2.206 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CC2(CCCC2)O1 ZINC000602703966 347159335 /nfs/dbraw/zinc/15/93/35/347159335.db2.gz ULPIESNUZXSMBM-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CC2(CCCC2)O1 ZINC000602703966 347159336 /nfs/dbraw/zinc/15/93/36/347159336.db2.gz ULPIESNUZXSMBM-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccnc(OC)c1)C(=O)OC ZINC000602733023 347177035 /nfs/dbraw/zinc/17/70/35/347177035.db2.gz GYHFHEQKGCGQOF-GXTWGEPZSA-N 1 2 292.379 2.119 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000602739005 347179860 /nfs/dbraw/zinc/17/98/60/347179860.db2.gz OEKAZRBEMYWPSJ-AGIUHOORSA-N 1 2 255.358 2.041 20 30 CEEDLO N#CCCN1CC[NH+](Cc2cscc2Cl)CC1 ZINC000602747605 347183521 /nfs/dbraw/zinc/18/35/21/347183521.db2.gz DEFYQBVRIIPSKV-UHFFFAOYSA-N 1 2 269.801 2.433 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H](C)N1CC#N ZINC000602856837 347226885 /nfs/dbraw/zinc/22/68/85/347226885.db2.gz NWTBUQQJRRPFCZ-BETUJISGSA-N 1 2 290.411 2.390 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H](C)N1CC#N ZINC000602856837 347226888 /nfs/dbraw/zinc/22/68/88/347226888.db2.gz NWTBUQQJRRPFCZ-BETUJISGSA-N 1 2 290.411 2.390 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000602860433 347228296 /nfs/dbraw/zinc/22/82/96/347228296.db2.gz BQLDYQWACGBFOW-RDBSUJKOSA-N 1 2 263.385 2.059 20 30 CEEDLO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602862980 347229740 /nfs/dbraw/zinc/22/97/40/347229740.db2.gz LONFOAXHFLICIJ-BBRMVZONSA-N 1 2 273.380 2.392 20 30 CEEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602863757 347229943 /nfs/dbraw/zinc/22/99/43/347229943.db2.gz PNHDDZCKDIKLTN-MNOVXSKESA-N 1 2 263.316 2.353 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000602866166 347231258 /nfs/dbraw/zinc/23/12/58/347231258.db2.gz YWQMEGKBVHUYCL-JTQLQIEISA-N 1 2 297.761 2.329 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000602869870 347231945 /nfs/dbraw/zinc/23/19/45/347231945.db2.gz QAJOIJQHWUEPMD-WJEHIRDRSA-N 1 2 290.411 2.198 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000602881236 347236793 /nfs/dbraw/zinc/23/67/93/347236793.db2.gz DZLIZZXEDFLMCW-RISCZKNCSA-N 1 2 294.424 2.018 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC000602881236 347236795 /nfs/dbraw/zinc/23/67/95/347236795.db2.gz DZLIZZXEDFLMCW-RISCZKNCSA-N 1 2 294.424 2.018 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602880945 347236970 /nfs/dbraw/zinc/23/69/70/347236970.db2.gz OMCCXCDCUFJITE-OAHLLOKOSA-N 1 2 295.346 2.057 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602880945 347236973 /nfs/dbraw/zinc/23/69/73/347236973.db2.gz OMCCXCDCUFJITE-OAHLLOKOSA-N 1 2 295.346 2.057 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000602881234 347236978 /nfs/dbraw/zinc/23/69/78/347236978.db2.gz DZLIZZXEDFLMCW-FZMZJTMJSA-N 1 2 294.424 2.018 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000602881234 347236981 /nfs/dbraw/zinc/23/69/81/347236981.db2.gz DZLIZZXEDFLMCW-FZMZJTMJSA-N 1 2 294.424 2.018 20 30 CEEDLO N#Cc1ccccc1NC1CC[NH+](Cc2cnns2)CC1 ZINC000602900951 347241706 /nfs/dbraw/zinc/24/17/06/347241706.db2.gz PIKCTCACPPDXSN-UHFFFAOYSA-N 1 2 299.403 2.486 20 30 CEEDLO C[C@H](c1nncn1C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906419 347243336 /nfs/dbraw/zinc/24/33/36/347243336.db2.gz IFZANDNWMSYDOF-GFCCVEGCSA-N 1 2 296.378 2.022 20 30 CEEDLO N#Cc1ccc(C2CC[NH+](Cc3ncccn3)CC2)nc1 ZINC000602906716 347243844 /nfs/dbraw/zinc/24/38/44/347243844.db2.gz MYFKYQGNBBLZQA-UHFFFAOYSA-N 1 2 279.347 2.123 20 30 CEEDLO COc1cc[nH+]c(CN(C)[C@H]2CCC[C@@H]2C#N)c1OC ZINC000602981075 347264192 /nfs/dbraw/zinc/26/41/92/347264192.db2.gz ZEJRKOBBJSZICM-YPMHNXCESA-N 1 2 275.352 2.223 20 30 CEEDLO C=CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000604880771 347434046 /nfs/dbraw/zinc/43/40/46/347434046.db2.gz OVVYQCUHWATZEH-GFCCVEGCSA-N 1 2 257.337 2.266 20 30 CEEDLO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000609030763 347625498 /nfs/dbraw/zinc/62/54/98/347625498.db2.gz GSPXVMMMHMTKJW-ZFWWWQNUSA-N 1 2 273.380 2.488 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000609822833 347651672 /nfs/dbraw/zinc/65/16/72/347651672.db2.gz HQROYVXUDMHBMB-CYBMUJFWSA-N 1 2 283.375 2.173 20 30 CEEDLO Cc1cc(N2CCN([C@@H](C#N)C(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000611412728 347776263 /nfs/dbraw/zinc/77/62/63/347776263.db2.gz HHWGMOLSWZIWKT-HNNXBMFYSA-N 1 2 299.422 2.333 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C[C@H](C)C#N)C2CC2)c(C)o1 ZINC000611091311 347738793 /nfs/dbraw/zinc/73/87/93/347738793.db2.gz SPHJKVODRDVYJR-SNVBAGLBSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(C)o1 ZINC000611091311 347738797 /nfs/dbraw/zinc/73/87/97/347738797.db2.gz SPHJKVODRDVYJR-SNVBAGLBSA-N 1 2 276.336 2.499 20 30 CEEDLO N#CCCN1CC[NH+](CCSc2ccccc2F)CC1 ZINC000611174396 347747704 /nfs/dbraw/zinc/74/77/04/347747704.db2.gz DHHSHZKLDCFWRV-UHFFFAOYSA-N 1 2 293.411 2.449 20 30 CEEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)c(Cl)c1 ZINC000611175454 347747910 /nfs/dbraw/zinc/74/79/10/347747910.db2.gz YPNXESPYIIRXSH-UHFFFAOYSA-N 1 2 293.798 2.380 20 30 CEEDLO Cc1ccc(C#N)c(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000611227399 347754163 /nfs/dbraw/zinc/75/41/63/347754163.db2.gz GGOLKHCENCQMIE-AWEZNQCLSA-N 1 2 267.336 2.300 20 30 CEEDLO C[C@@H](N[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000611586599 347797327 /nfs/dbraw/zinc/79/73/27/347797327.db2.gz FOJCCPOHRUKKGM-DGCLKSJQSA-N 1 2 261.344 2.442 20 30 CEEDLO C[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000611586599 347797330 /nfs/dbraw/zinc/79/73/30/347797330.db2.gz FOJCCPOHRUKKGM-DGCLKSJQSA-N 1 2 261.344 2.442 20 30 CEEDLO Cc1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000612079464 347841381 /nfs/dbraw/zinc/84/13/81/347841381.db2.gz QPBNQMNEXAACHT-CYBMUJFWSA-N 1 2 267.336 2.300 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](CC[S@](=O)c2ccccc2)C1 ZINC000612159513 347851227 /nfs/dbraw/zinc/85/12/27/347851227.db2.gz VWPVUAJAKAQMNC-BEFAXECRSA-N 1 2 276.405 2.420 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](CC[S@](=O)c2ccccc2)C1 ZINC000612159513 347851229 /nfs/dbraw/zinc/85/12/29/347851229.db2.gz VWPVUAJAKAQMNC-BEFAXECRSA-N 1 2 276.405 2.420 20 30 CEEDLO Cc1cc(C)n2c(C[N@@H+]3CCC[C@](C)(C#N)C3)cnc2n1 ZINC000612407104 347881440 /nfs/dbraw/zinc/88/14/40/347881440.db2.gz YRISSJQRQNGKTM-MRXNPFEDSA-N 1 2 283.379 2.472 20 30 CEEDLO Cc1cc(C)n2c(C[N@H+]3CCC[C@](C)(C#N)C3)cnc2n1 ZINC000612407104 347881444 /nfs/dbraw/zinc/88/14/44/347881444.db2.gz YRISSJQRQNGKTM-MRXNPFEDSA-N 1 2 283.379 2.472 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613276104 348015549 /nfs/dbraw/zinc/01/55/49/348015549.db2.gz YYWNTCLQZUTMBY-VXGBXAGGSA-N 1 2 261.369 2.376 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613276104 348015552 /nfs/dbraw/zinc/01/55/52/348015552.db2.gz YYWNTCLQZUTMBY-VXGBXAGGSA-N 1 2 261.369 2.376 20 30 CEEDLO CCN(CCOC)c1cccc(Cn2ccc(C#N)c2)[nH+]1 ZINC000351912136 219244445 /nfs/dbraw/zinc/24/44/45/219244445.db2.gz FEHFYZNOSCXOFZ-UHFFFAOYSA-N 1 2 284.363 2.276 20 30 CEEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168198 348153821 /nfs/dbraw/zinc/15/38/21/348153821.db2.gz XPRUWOWIFTUQMY-OAHLLOKOSA-N 1 2 285.391 2.198 20 30 CEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168198 348153823 /nfs/dbraw/zinc/15/38/23/348153823.db2.gz XPRUWOWIFTUQMY-OAHLLOKOSA-N 1 2 285.391 2.198 20 30 CEEDLO C=C[C@H](O)C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000614551270 348213505 /nfs/dbraw/zinc/21/35/05/348213505.db2.gz JKBQJMCVTDPVHV-HNNXBMFYSA-N 1 2 299.374 2.097 20 30 CEEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H]2CCC[C@@H]21 ZINC000614529048 348211121 /nfs/dbraw/zinc/21/11/21/348211121.db2.gz YIGOSXICUPJXRL-YPMHNXCESA-N 1 2 282.351 2.119 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559418 362872923 /nfs/dbraw/zinc/87/29/23/362872923.db2.gz QLNWQZSTJAIPLC-AWEZNQCLSA-N 1 2 283.368 2.001 20 30 CEEDLO C=CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559418 362872926 /nfs/dbraw/zinc/87/29/26/362872926.db2.gz QLNWQZSTJAIPLC-AWEZNQCLSA-N 1 2 283.368 2.001 20 30 CEEDLO N#C[C@]1(F)CCN(Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000615650086 348367183 /nfs/dbraw/zinc/36/71/83/348367183.db2.gz DTPMZTDIXRLGNY-CYBMUJFWSA-N 1 2 276.340 2.371 20 30 CEEDLO Cc1ccc2[nH+]cc(CN3CC[C@](F)(C#N)C3)n2c1 ZINC000615649686 348367412 /nfs/dbraw/zinc/36/74/12/348367412.db2.gz BCKGPPLJFWQXDF-AWEZNQCLSA-N 1 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LGHMDQHUOXYKRK-OCCSQVGLSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000619720321 349228825 /nfs/dbraw/zinc/22/88/25/349228825.db2.gz BSRMZHJZDNIKNK-KBPBESRZSA-N 1 2 285.347 2.011 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000619720321 349228829 /nfs/dbraw/zinc/22/88/29/349228829.db2.gz BSRMZHJZDNIKNK-KBPBESRZSA-N 1 2 285.347 2.011 20 30 CEEDLO C=C[C@H]([NH2+][C@H]1CCCC[C@H]1SCC)C(=O)OC ZINC000619721659 349229159 /nfs/dbraw/zinc/22/91/59/349229159.db2.gz HLLVUERJCYKDNI-SDDRHHMPSA-N 1 2 257.399 2.368 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000623477625 350029788 /nfs/dbraw/zinc/02/97/88/350029788.db2.gz MVGVQQIUOSLRFX-GFCCVEGCSA-N 1 2 264.373 2.173 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623946013 350152280 /nfs/dbraw/zinc/15/22/80/350152280.db2.gz KYBDUHMIVVVOMI-ZDUSSCGKSA-N 1 2 298.390 2.040 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1 ZINC000092487087 180394807 /nfs/dbraw/zinc/39/48/07/180394807.db2.gz YHKBNBIJZAILNA-WFASDCNBSA-N 1 2 284.363 2.205 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1 ZINC000092487087 180394808 /nfs/dbraw/zinc/39/48/08/180394808.db2.gz YHKBNBIJZAILNA-WFASDCNBSA-N 1 2 284.363 2.205 20 30 CEEDLO Clc1ccccc1C#CCN1CCc2[nH+]c[nH]c2C1 ZINC000625434255 350497106 /nfs/dbraw/zinc/49/71/06/350497106.db2.gz KZDYEFYTXTXLMZ-UHFFFAOYSA-N 1 2 271.751 2.473 20 30 CEEDLO C=C1CC(C)(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000630499217 351761205 /nfs/dbraw/zinc/76/12/05/351761205.db2.gz UBQNPEXPMUYLFG-UHFFFAOYSA-N 1 2 255.321 2.307 20 30 CEEDLO CCn1c2ccccc2[nH+]c1CCNc1cnc(C#N)cn1 ZINC000122758893 187049710 /nfs/dbraw/zinc/04/97/10/187049710.db2.gz YIVTZWQQNDCLBX-UHFFFAOYSA-N 1 2 292.346 2.372 20 30 CEEDLO Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]1 ZINC000291923907 198106674 /nfs/dbraw/zinc/10/66/74/198106674.db2.gz ACZWLGHIGJWOKR-UHFFFAOYSA-N 1 2 269.352 2.395 20 30 CEEDLO Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]1 ZINC000291923907 198106675 /nfs/dbraw/zinc/10/66/75/198106675.db2.gz ACZWLGHIGJWOKR-UHFFFAOYSA-N 1 2 269.352 2.395 20 30 CEEDLO CCC[N@H+](Cc1nnc(C)[nH]1)Cc1ccc(C#N)cc1 ZINC000292256511 198220312 /nfs/dbraw/zinc/22/03/12/198220312.db2.gz VDXMEDYCOPOYEM-UHFFFAOYSA-N 1 2 269.352 2.397 20 30 CEEDLO CCC[N@@H+](Cc1nnc(C)[nH]1)Cc1ccc(C#N)cc1 ZINC000292256511 198220314 /nfs/dbraw/zinc/22/03/14/198220314.db2.gz VDXMEDYCOPOYEM-UHFFFAOYSA-N 1 2 269.352 2.397 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153320128 188076059 /nfs/dbraw/zinc/07/60/59/188076059.db2.gz GXRDLPPNTJUASY-CQSZACIVSA-N 1 2 288.395 2.268 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(F)ccc2F)C1=O ZINC000337233498 366093632 /nfs/dbraw/zinc/09/36/32/366093632.db2.gz WNKJSFHXECRONV-AWEZNQCLSA-N 1 2 280.318 2.184 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2F)C1=O ZINC000337233498 366093637 /nfs/dbraw/zinc/09/36/37/366093637.db2.gz WNKJSFHXECRONV-AWEZNQCLSA-N 1 2 280.318 2.184 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132350109 366136909 /nfs/dbraw/zinc/13/69/09/366136909.db2.gz ARDMFYKFSCEIHP-AWEZNQCLSA-N 1 2 275.396 2.327 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132350109 366136914 /nfs/dbraw/zinc/13/69/14/366136914.db2.gz ARDMFYKFSCEIHP-AWEZNQCLSA-N 1 2 275.396 2.327 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000337319111 366141327 /nfs/dbraw/zinc/14/13/27/366141327.db2.gz NOEMPHOHDCDMIL-ZIAGYGMSSA-N 1 2 291.395 2.166 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000338123934 366200785 /nfs/dbraw/zinc/20/07/85/366200785.db2.gz IYULABPJNKNWBG-CQSZACIVSA-N 1 2 294.358 2.371 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933919 540049839 /nfs/dbraw/zinc/04/98/39/540049839.db2.gz BKBDWPYDMUYRFT-MRXNPFEDSA-N 1 2 284.359 2.047 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933919 540049841 /nfs/dbraw/zinc/04/98/41/540049841.db2.gz BKBDWPYDMUYRFT-MRXNPFEDSA-N 1 2 284.359 2.047 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1c[nH+]cn1C ZINC000413567594 540231157 /nfs/dbraw/zinc/23/11/57/540231157.db2.gz YCINYSXYATURGZ-HNNXBMFYSA-N 1 2 298.390 2.407 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000076185267 363528277 /nfs/dbraw/zinc/52/82/77/363528277.db2.gz RZTOWKJBBQCVFC-UHFFFAOYSA-N 1 2 282.387 2.141 20 30 CEEDLO CCC(CC)([NH2+]Cc1cccc(C#N)c1)C(=O)OC ZINC000338370015 366323198 /nfs/dbraw/zinc/32/31/98/366323198.db2.gz YIAWRYDJXCNPMS-UHFFFAOYSA-N 1 2 260.337 2.380 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000336300266 213140222 /nfs/dbraw/zinc/14/02/22/213140222.db2.gz GTGDKNTWQHELSY-ZDUSSCGKSA-N 1 2 297.362 2.152 20 30 CEEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1C#N ZINC000135151639 366402555 /nfs/dbraw/zinc/40/25/55/366402555.db2.gz FWERLVXZNARDFP-GFCCVEGCSA-N 1 2 290.363 2.339 20 30 CEEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1C#N ZINC000135151639 366402562 /nfs/dbraw/zinc/40/25/62/366402562.db2.gz FWERLVXZNARDFP-GFCCVEGCSA-N 1 2 290.363 2.339 20 30 CEEDLO COc1ncc(C[NH2+]C[C@@H](C#N)CCC#N)cc1Cl ZINC000578232524 366465618 /nfs/dbraw/zinc/46/56/18/366465618.db2.gz WDRXGKUSQKLJMT-SNVBAGLBSA-N 1 2 278.743 2.277 20 30 CEEDLO N#Cc1ccc(CSCC[NH+]2CCOCC2)s1 ZINC000578337806 366480729 /nfs/dbraw/zinc/48/07/29/366480729.db2.gz RYTPTHZQABWPAL-UHFFFAOYSA-N 1 2 268.407 2.185 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1ncc(C#N)cc1F)C1CC1 ZINC000578964901 366571943 /nfs/dbraw/zinc/57/19/43/366571943.db2.gz FHAPNSXYNBDGJA-GFCCVEGCSA-N 1 2 271.299 2.389 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3CCCO3)CCO2)c1 ZINC000339057289 366635542 /nfs/dbraw/zinc/63/55/42/366635542.db2.gz FZFYAUFLBBITHK-HZPDHXFCSA-N 1 2 272.348 2.111 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CCCO3)CCO2)c1 ZINC000339057289 366635545 /nfs/dbraw/zinc/63/55/45/366635545.db2.gz FZFYAUFLBBITHK-HZPDHXFCSA-N 1 2 272.348 2.111 20 30 CEEDLO C[C@@H](O)CNc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000298305330 200390344 /nfs/dbraw/zinc/39/03/44/200390344.db2.gz QSWNXFDPSLMUEQ-NEPJUHHUSA-N 1 2 297.362 2.314 20 30 CEEDLO C[C@@H](O)CNc1cc(N[C@@H](C)c2ccc(C#N)cc2)[nH+]cn1 ZINC000298305330 200390346 /nfs/dbraw/zinc/39/03/46/200390346.db2.gz QSWNXFDPSLMUEQ-NEPJUHHUSA-N 1 2 297.362 2.314 20 30 CEEDLO N#Cc1cnc(NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000180391415 189252839 /nfs/dbraw/zinc/25/28/39/189252839.db2.gz XHSOAJKTJYAROE-UHFFFAOYSA-N 1 2 261.716 2.305 20 30 CEEDLO Cc1cc(C#N)cc(NCCCCNc2cccc[nH+]2)n1 ZINC000340012837 366745513 /nfs/dbraw/zinc/74/55/13/366745513.db2.gz FHTFYTWXRPCJIP-UHFFFAOYSA-N 1 2 281.363 2.383 20 30 CEEDLO CCc1ccc(NC(=O)C[NH2+][C@@H](CC)CC#N)cc1 ZINC000580901522 366781622 /nfs/dbraw/zinc/78/16/22/366781622.db2.gz WPDSWSVJAMEHFN-ZDUSSCGKSA-N 1 2 259.353 2.469 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)nc1 ZINC000581615561 366803437 /nfs/dbraw/zinc/80/34/37/366803437.db2.gz KYUFXHUBGRKQDV-ZDUSSCGKSA-N 1 2 299.296 2.088 20 30 CEEDLO C#CC[N@@H+](Cc1csc(NC(C)=O)n1)C1CCCC1 ZINC000155886065 366824095 /nfs/dbraw/zinc/82/40/95/366824095.db2.gz SUFYKDDWECSIOQ-UHFFFAOYSA-N 1 2 277.393 2.479 20 30 CEEDLO C#CC[N@H+](Cc1csc(NC(C)=O)n1)C1CCCC1 ZINC000155886065 366824102 /nfs/dbraw/zinc/82/41/02/366824102.db2.gz SUFYKDDWECSIOQ-UHFFFAOYSA-N 1 2 277.393 2.479 20 30 CEEDLO Cc1csc(CO[NH+]=C(N)[C@H](C)OCC(C)C)n1 ZINC000088521313 363903547 /nfs/dbraw/zinc/90/35/47/363903547.db2.gz LVBKTSSQGHKOOZ-JTQLQIEISA-N 1 2 271.386 2.301 20 30 CEEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833183 363872005 /nfs/dbraw/zinc/87/20/05/363872005.db2.gz YGXRPOLALKFSHH-CQSZACIVSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833183 363872006 /nfs/dbraw/zinc/87/20/06/363872006.db2.gz YGXRPOLALKFSHH-CQSZACIVSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](C)C#N ZINC000091984036 364072349 /nfs/dbraw/zinc/07/23/49/364072349.db2.gz SMUVHJWSJCKCNW-KPZWWZAWSA-N 1 2 264.394 2.406 20 30 CEEDLO CC[N@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](C)C#N ZINC000091984036 364072352 /nfs/dbraw/zinc/07/23/52/364072352.db2.gz SMUVHJWSJCKCNW-KPZWWZAWSA-N 1 2 264.394 2.406 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090564397 364061672 /nfs/dbraw/zinc/06/16/72/364061672.db2.gz PPDWQMRNLVMCLU-UHFFFAOYSA-N 1 2 275.323 2.016 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090564397 364061675 /nfs/dbraw/zinc/06/16/75/364061675.db2.gz PPDWQMRNLVMCLU-UHFFFAOYSA-N 1 2 275.323 2.016 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)s1 ZINC000334654712 364140074 /nfs/dbraw/zinc/14/00/74/364140074.db2.gz TUEXRVMRDKRXCD-UHFFFAOYSA-N 1 2 272.333 2.405 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000093612192 364202305 /nfs/dbraw/zinc/20/23/05/364202305.db2.gz INHGIFVGWQGDHI-JTQLQIEISA-N 1 2 276.283 2.119 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000093612192 364202308 /nfs/dbraw/zinc/20/23/08/364202308.db2.gz INHGIFVGWQGDHI-JTQLQIEISA-N 1 2 276.283 2.119 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)C[C@H](C)C#N ZINC000157680874 366847788 /nfs/dbraw/zinc/84/77/88/366847788.db2.gz KMDLQNXGDQTHAU-CYBMUJFWSA-N 1 2 291.370 2.266 20 30 CEEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)C[C@H](C)C#N ZINC000157680874 366847793 /nfs/dbraw/zinc/84/77/93/366847793.db2.gz KMDLQNXGDQTHAU-CYBMUJFWSA-N 1 2 291.370 2.266 20 30 CEEDLO C=C(Br)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000101730272 364572532 /nfs/dbraw/zinc/57/25/32/364572532.db2.gz JSRMCSIWCLTFFH-UHFFFAOYSA-N 1 2 258.163 2.151 20 30 CEEDLO C=C(Br)C[N@H+](CC)Cc1cnn(C)c1 ZINC000101730272 364572536 /nfs/dbraw/zinc/57/25/36/364572536.db2.gz JSRMCSIWCLTFFH-UHFFFAOYSA-N 1 2 258.163 2.151 20 30 CEEDLO CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000103141155 364632290 /nfs/dbraw/zinc/63/22/90/364632290.db2.gz WTTBOWKVLROTSS-UHFFFAOYSA-N 1 2 289.354 2.142 20 30 CEEDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000103141155 364632297 /nfs/dbraw/zinc/63/22/97/364632297.db2.gz WTTBOWKVLROTSS-UHFFFAOYSA-N 1 2 289.354 2.142 20 30 CEEDLO N#Cc1ccccc1N1CCC[C@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000109078304 364717703 /nfs/dbraw/zinc/71/77/03/364717703.db2.gz XPCRQIZLIMYEDX-HNNXBMFYSA-N 1 2 281.363 2.040 20 30 CEEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cs1 ZINC000112547006 364814081 /nfs/dbraw/zinc/81/40/81/364814081.db2.gz AEILXAIAOVRZKW-MNOVXSKESA-N 1 2 294.424 2.117 20 30 CEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1[nH]cc[nH+]1 ZINC000114335380 364938050 /nfs/dbraw/zinc/93/80/50/364938050.db2.gz BGBGHCXYUASNMN-HNNXBMFYSA-N 1 2 298.346 2.001 20 30 CEEDLO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425302 541411675 /nfs/dbraw/zinc/41/16/75/541411675.db2.gz WMYZMIXMNWVEJV-GWCFXTLKSA-N 1 2 291.326 2.463 20 30 CEEDLO C=CC[N@H+](C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000114721388 364959112 /nfs/dbraw/zinc/95/91/12/364959112.db2.gz HPZUZYOVRQMWGQ-YXMGTMDOSA-N 1 2 291.416 2.375 20 30 CEEDLO C=CC[N@@H+](C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000114721388 364959120 /nfs/dbraw/zinc/95/91/20/364959120.db2.gz HPZUZYOVRQMWGQ-YXMGTMDOSA-N 1 2 291.416 2.375 20 30 CEEDLO C=CC[NH+](CC=C)Cc1nc2ccccc2c(=O)n1C ZINC000114723784 364961065 /nfs/dbraw/zinc/96/10/65/364961065.db2.gz KUCLKJSEDIXZIF-UHFFFAOYSA-N 1 2 269.348 2.108 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000335786209 364980448 /nfs/dbraw/zinc/98/04/48/364980448.db2.gz KKRWORRZTDVZFW-UHFFFAOYSA-N 1 2 280.331 2.301 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000335786209 364980449 /nfs/dbraw/zinc/98/04/49/364980449.db2.gz KKRWORRZTDVZFW-UHFFFAOYSA-N 1 2 280.331 2.301 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335574919 212285191 /nfs/dbraw/zinc/28/51/91/212285191.db2.gz MKEBYFBGLAPXFG-GFCCVEGCSA-N 1 2 295.346 2.269 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335574919 212285193 /nfs/dbraw/zinc/28/51/93/212285193.db2.gz MKEBYFBGLAPXFG-GFCCVEGCSA-N 1 2 295.346 2.269 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000159079183 366874179 /nfs/dbraw/zinc/87/41/79/366874179.db2.gz LWROMDYUXUCOCF-HNNXBMFYSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000159079183 366874185 /nfs/dbraw/zinc/87/41/85/366874185.db2.gz LWROMDYUXUCOCF-HNNXBMFYSA-N 1 2 289.354 2.188 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncn(C)n1 ZINC000275757009 193121962 /nfs/dbraw/zinc/12/19/62/193121962.db2.gz RIMBBBJNHFIPML-QWRGUYRKSA-N 1 2 255.325 2.099 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000584108419 367142436 /nfs/dbraw/zinc/14/24/36/367142436.db2.gz CLKWIBYMGLJSQS-BBRMVZONSA-N 1 2 299.374 2.052 20 30 CEEDLO C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1[nH]cc[nH+]1 ZINC000572422580 299367588 /nfs/dbraw/zinc/36/75/88/299367588.db2.gz CPKXEHJIIWXPFU-SNVBAGLBSA-N 1 2 298.321 2.329 20 30 CEEDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000588628876 367194882 /nfs/dbraw/zinc/19/48/82/367194882.db2.gz QJBWKZWGAJWZMX-NSHDSACASA-N 1 2 268.320 2.091 20 30 CEEDLO Cc1cccc(CCNc2cc(C#N)nc(C3CC3)n2)[nH+]1 ZINC000601155860 367216191 /nfs/dbraw/zinc/21/61/91/367216191.db2.gz IJNATCHFERTJRE-UHFFFAOYSA-N 1 2 279.347 2.006 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000602865183 367217578 /nfs/dbraw/zinc/21/75/78/367217578.db2.gz XKQHOQMVWQBFLD-MNOVXSKESA-N 1 2 295.333 2.376 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCCC#N)c1 ZINC000342639468 367463884 /nfs/dbraw/zinc/46/38/84/367463884.db2.gz YEXQWVWFWWZNSP-UHFFFAOYSA-N 1 2 268.320 2.214 20 30 CEEDLO Cn1c2ccccc2[nH+]c1CCCNc1cc(C#N)ccn1 ZINC000342793477 367539838 /nfs/dbraw/zinc/53/98/38/367539838.db2.gz ZLRGSOKYFKRMPX-UHFFFAOYSA-N 1 2 291.358 2.307 20 30 CEEDLO N#CC1(NC(=O)c2ccc3[nH+]ccn3c2)CCCCC1 ZINC000171923476 367640652 /nfs/dbraw/zinc/64/06/52/367640652.db2.gz GAMBZEXKWWFGRU-UHFFFAOYSA-N 1 2 268.320 2.291 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000172720798 367807572 /nfs/dbraw/zinc/80/75/72/367807572.db2.gz BFUQIGNWMVMLRK-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000172720798 367807576 /nfs/dbraw/zinc/80/75/76/367807576.db2.gz BFUQIGNWMVMLRK-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO C=CCCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000175229155 368115799 /nfs/dbraw/zinc/11/57/99/368115799.db2.gz RCGJUXDKDXRESC-UHFFFAOYSA-N 1 2 270.336 2.240 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682158342 541638953 /nfs/dbraw/zinc/63/89/53/541638953.db2.gz KBIITCVFONCDQR-ZBFHGGJFSA-N 1 2 291.395 2.275 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000180807793 368397037 /nfs/dbraw/zinc/39/70/37/368397037.db2.gz DOZJFRZYQAOCSM-SOUVJXGZSA-N 1 2 297.443 2.140 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180853636 368399565 /nfs/dbraw/zinc/39/95/65/368399565.db2.gz LDEHSLHSUUQLIR-KBPBESRZSA-N 1 2 298.394 2.236 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180853636 368399570 /nfs/dbraw/zinc/39/95/70/368399570.db2.gz LDEHSLHSUUQLIR-KBPBESRZSA-N 1 2 298.394 2.236 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000633964113 368476361 /nfs/dbraw/zinc/47/63/61/368476361.db2.gz AXTWACHIMQECIB-UHFFFAOYSA-N 1 2 299.378 2.385 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(C)c1C ZINC000183071396 368608606 /nfs/dbraw/zinc/60/86/06/368608606.db2.gz XJQQKUAIGIURDB-UHFFFAOYSA-N 1 2 276.380 2.376 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(C)c1C ZINC000183071396 368608611 /nfs/dbraw/zinc/60/86/11/368608611.db2.gz XJQQKUAIGIURDB-UHFFFAOYSA-N 1 2 276.380 2.376 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185038089 368738182 /nfs/dbraw/zinc/73/81/82/368738182.db2.gz IOKBHSFTYOMLIX-PWSUYJOCSA-N 1 2 294.424 2.110 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1c(C)cccc1C ZINC000153710399 261081694 /nfs/dbraw/zinc/08/16/94/261081694.db2.gz QLMZXMCLAATTTQ-UHFFFAOYSA-N 1 2 277.368 2.007 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000346671124 368763350 /nfs/dbraw/zinc/76/33/50/368763350.db2.gz PKABIWKAVMHOPA-UHFFFAOYSA-N 1 2 288.395 2.036 20 30 CEEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000348437994 369046817 /nfs/dbraw/zinc/04/68/17/369046817.db2.gz DTVZGPRTERVFCK-ZDUSSCGKSA-N 1 2 295.383 2.159 20 30 CEEDLO C=CCOCCC[N@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000348437994 369046823 /nfs/dbraw/zinc/04/68/23/369046823.db2.gz DTVZGPRTERVFCK-ZDUSSCGKSA-N 1 2 295.383 2.159 20 30 CEEDLO C[C@@]1(O)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187121412 369105338 /nfs/dbraw/zinc/10/53/38/369105338.db2.gz XQWNQUUIFZAECN-CYBMUJFWSA-N 1 2 250.729 2.168 20 30 CEEDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187121412 369105342 /nfs/dbraw/zinc/10/53/42/369105342.db2.gz XQWNQUUIFZAECN-CYBMUJFWSA-N 1 2 250.729 2.168 20 30 CEEDLO C=C[C@H](C)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635675307 369281895 /nfs/dbraw/zinc/28/18/95/369281895.db2.gz SIIKDKMTCYJVOO-IUCAKERBSA-N 1 2 261.247 2.067 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccnn1CC1CCC1 ZINC000639099036 370975381 /nfs/dbraw/zinc/97/53/81/370975381.db2.gz FDFRNDLVZQCZFM-UHFFFAOYSA-N 1 2 263.385 2.318 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccnn1CC1CCC1 ZINC000639099036 370975385 /nfs/dbraw/zinc/97/53/85/370975385.db2.gz FDFRNDLVZQCZFM-UHFFFAOYSA-N 1 2 263.385 2.318 20 30 CEEDLO C#CCCOc1ccc(C[NH2+][C@@H](C(=O)OC)C2CC2)cc1 ZINC000276377076 193306808 /nfs/dbraw/zinc/30/68/08/193306808.db2.gz AAJLRYFDAKZUSR-MRXNPFEDSA-N 1 2 287.359 2.130 20 30 CEEDLO C[C@@H]1C[C@H]1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000351473676 369636409 /nfs/dbraw/zinc/63/64/09/369636409.db2.gz VUJPSZCVESYVIA-PVAVHDDUSA-N 1 2 269.392 2.352 20 30 CEEDLO C[C@@H]1C[C@H]1C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000351473676 369636412 /nfs/dbraw/zinc/63/64/12/369636412.db2.gz VUJPSZCVESYVIA-PVAVHDDUSA-N 1 2 269.392 2.352 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000351619607 369645911 /nfs/dbraw/zinc/64/59/11/369645911.db2.gz MTWWFELXTUAJON-CYBMUJFWSA-N 1 2 289.354 2.276 20 30 CEEDLO C=C(C)CCc1noc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000351219789 369625967 /nfs/dbraw/zinc/62/59/67/369625967.db2.gz KMAIXRZABQCZCQ-GFCCVEGCSA-N 1 2 265.357 2.360 20 30 CEEDLO C=C(C)CCc1noc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000351219789 369625972 /nfs/dbraw/zinc/62/59/72/369625972.db2.gz KMAIXRZABQCZCQ-GFCCVEGCSA-N 1 2 265.357 2.360 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1 ZINC000191098687 369677397 /nfs/dbraw/zinc/67/73/97/369677397.db2.gz HESYSKCZRFCXSO-UHFFFAOYSA-N 1 2 282.771 2.413 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1 ZINC000191098687 369677405 /nfs/dbraw/zinc/67/74/05/369677405.db2.gz HESYSKCZRFCXSO-UHFFFAOYSA-N 1 2 282.771 2.413 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000191135065 369682490 /nfs/dbraw/zinc/68/24/90/369682490.db2.gz FMZFZTRSVKHJRJ-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000191135065 369682494 /nfs/dbraw/zinc/68/24/94/369682494.db2.gz FMZFZTRSVKHJRJ-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CCC[N@@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000276486411 193351141 /nfs/dbraw/zinc/35/11/41/193351141.db2.gz UFXTYVCDVZSXGK-UHFFFAOYSA-N 1 2 271.368 2.287 20 30 CEEDLO C=CCC[N@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000276486411 193351143 /nfs/dbraw/zinc/35/11/43/193351143.db2.gz UFXTYVCDVZSXGK-UHFFFAOYSA-N 1 2 271.368 2.287 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccc(O)c(F)c2)n1 ZINC000352812418 369889685 /nfs/dbraw/zinc/88/96/85/369889685.db2.gz YZIFKPRNSLDBOP-UHFFFAOYSA-N 1 2 263.297 2.149 20 30 CEEDLO CCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000352839157 369906574 /nfs/dbraw/zinc/90/65/74/369906574.db2.gz IDQNFIVDMVQCAX-UHFFFAOYSA-N 1 2 288.376 2.488 20 30 CEEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000358733148 371196997 /nfs/dbraw/zinc/19/69/97/371196997.db2.gz AZDYBJZOFFDHPR-CQSZACIVSA-N 1 2 263.385 2.376 20 30 CEEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000358733148 371196998 /nfs/dbraw/zinc/19/69/98/371196998.db2.gz AZDYBJZOFFDHPR-CQSZACIVSA-N 1 2 263.385 2.376 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000358781224 371217104 /nfs/dbraw/zinc/21/71/04/371217104.db2.gz OLDSRPMJWGTVLN-UHFFFAOYSA-N 1 2 294.314 2.346 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000249924531 371370198 /nfs/dbraw/zinc/37/01/98/371370198.db2.gz ZPNFYCLNLYVGLZ-HUUCEWRRSA-N 1 2 287.407 2.481 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000249924531 371370202 /nfs/dbraw/zinc/37/02/02/371370202.db2.gz ZPNFYCLNLYVGLZ-HUUCEWRRSA-N 1 2 287.407 2.481 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000255523867 371593670 /nfs/dbraw/zinc/59/36/70/371593670.db2.gz RNMAQLNBQJADPS-QWHCGFSZSA-N 1 2 277.368 2.281 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000255523867 371593675 /nfs/dbraw/zinc/59/36/75/371593675.db2.gz RNMAQLNBQJADPS-QWHCGFSZSA-N 1 2 277.368 2.281 20 30 CEEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000361467112 371860483 /nfs/dbraw/zinc/86/04/83/371860483.db2.gz WZSPDEDTVMNNJJ-ZDUSSCGKSA-N 1 2 261.373 2.375 20 30 CEEDLO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000361467112 371860491 /nfs/dbraw/zinc/86/04/91/371860491.db2.gz WZSPDEDTVMNNJJ-ZDUSSCGKSA-N 1 2 261.373 2.375 20 30 CEEDLO Cc1cn2cc(NC(=O)N(C)C[C@H](C)C#N)ccc2[nH+]1 ZINC000264663246 371999278 /nfs/dbraw/zinc/99/92/78/371999278.db2.gz ROGCWQGNYDJVFY-SNVBAGLBSA-N 1 2 271.324 2.266 20 30 CEEDLO CN(C)C(=O)N1CC[N@H+](CC#Cc2ccccc2)C(C)(C)C1 ZINC000361866781 372106537 /nfs/dbraw/zinc/10/65/37/372106537.db2.gz CDLKGQSUMCVWSX-UHFFFAOYSA-N 1 2 299.418 2.116 20 30 CEEDLO CN(C)C(=O)N1CC[N@@H+](CC#Cc2ccccc2)C(C)(C)C1 ZINC000361866781 372106544 /nfs/dbraw/zinc/10/65/44/372106544.db2.gz CDLKGQSUMCVWSX-UHFFFAOYSA-N 1 2 299.418 2.116 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268186968 372089055 /nfs/dbraw/zinc/08/90/55/372089055.db2.gz UYSFGZRVOMLDTD-UHFFFAOYSA-N 1 2 285.391 2.499 20 30 CEEDLO C[C@H]1CCN(c2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000268214888 372090607 /nfs/dbraw/zinc/09/06/07/372090607.db2.gz BDIUSZLZEMMIML-JSGCOSHPSA-N 1 2 267.336 2.237 20 30 CEEDLO C#CCCN1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000268730118 372198584 /nfs/dbraw/zinc/19/85/84/372198584.db2.gz QOWJICVZTUYFKL-UHFFFAOYSA-N 1 2 272.392 2.226 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2cc(F)ccc2F)nn1 ZINC000640992221 372206516 /nfs/dbraw/zinc/20/65/16/372206516.db2.gz SHTHJJSVZVRVDE-LLVKDONJSA-N 1 2 290.317 2.279 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)o1 ZINC000344349280 217163183 /nfs/dbraw/zinc/16/31/83/217163183.db2.gz WEGWIKVIMFJVHJ-ZDUSSCGKSA-N 1 2 278.258 2.253 20 30 CEEDLO CC[C@H]1C[N@H+](CCNc2nc(C)cc(C)c2C#N)CCO1 ZINC000362661690 372477762 /nfs/dbraw/zinc/47/77/62/372477762.db2.gz GNNJJYHZIMAPLU-AWEZNQCLSA-N 1 2 288.395 2.093 20 30 CEEDLO CC[C@H]1C[N@@H+](CCNc2nc(C)cc(C)c2C#N)CCO1 ZINC000362661690 372477769 /nfs/dbraw/zinc/47/77/69/372477769.db2.gz GNNJJYHZIMAPLU-AWEZNQCLSA-N 1 2 288.395 2.093 20 30 CEEDLO C=C(C)[C@@H](CC(=O)NCCCNc1cccc[nH+]1)OCC ZINC000270048630 372648533 /nfs/dbraw/zinc/64/85/33/372648533.db2.gz LLMAQVCUDYBRKL-CQSZACIVSA-N 1 2 291.395 2.371 20 30 CEEDLO C=C[C@H](CC(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000270310069 372736176 /nfs/dbraw/zinc/73/61/76/372736176.db2.gz QMYYKIPIILYISL-CYBMUJFWSA-N 1 2 269.348 2.396 20 30 CEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)cccc1Cl ZINC000272800976 373664231 /nfs/dbraw/zinc/66/42/31/373664231.db2.gz DSLSFIBWHCOVQX-UHFFFAOYSA-N 1 2 291.775 2.170 20 30 CEEDLO Cc1cc(N2CCO[C@H](C#N)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272865247 373685606 /nfs/dbraw/zinc/68/56/06/373685606.db2.gz RGWPATNJRPEXMG-GFCCVEGCSA-N 1 2 298.302 2.180 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000274196340 373840312 /nfs/dbraw/zinc/84/03/12/373840312.db2.gz QXNLYZBYYMZPAB-ZDUSSCGKSA-N 1 2 288.366 2.443 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000274196340 373840318 /nfs/dbraw/zinc/84/03/18/373840318.db2.gz QXNLYZBYYMZPAB-ZDUSSCGKSA-N 1 2 288.366 2.443 20 30 CEEDLO C=CCOCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000645150854 373880943 /nfs/dbraw/zinc/88/09/43/373880943.db2.gz HNJWDMQSMYUAPM-UHFFFAOYSA-N 1 2 273.283 2.179 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000371470924 373893693 /nfs/dbraw/zinc/89/36/93/373893693.db2.gz POSQSURYJLXCKS-HNNXBMFYSA-N 1 2 294.439 2.492 20 30 CEEDLO C#CC[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CC1 ZINC000274217720 373844339 /nfs/dbraw/zinc/84/43/39/373844339.db2.gz URAYMOFEQLMTBB-UHFFFAOYSA-N 1 2 297.314 2.063 20 30 CEEDLO C#CC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CC1 ZINC000274217720 373844347 /nfs/dbraw/zinc/84/43/47/373844347.db2.gz URAYMOFEQLMTBB-UHFFFAOYSA-N 1 2 297.314 2.063 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645271705 373962643 /nfs/dbraw/zinc/96/26/43/373962643.db2.gz ONKXFZISOBBHFK-LLVKDONJSA-N 1 2 272.352 2.059 20 30 CEEDLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275556975 374217913 /nfs/dbraw/zinc/21/79/13/374217913.db2.gz GWIDJPIJRWCJIY-NHYWBVRUSA-N 1 2 276.311 2.206 20 30 CEEDLO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275556975 374217919 /nfs/dbraw/zinc/21/79/19/374217919.db2.gz GWIDJPIJRWCJIY-NHYWBVRUSA-N 1 2 276.311 2.206 20 30 CEEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)ccc1F ZINC000334177686 206147705 /nfs/dbraw/zinc/14/77/05/206147705.db2.gz DKGBVCNNAXEATG-SNVBAGLBSA-N 1 2 284.294 2.095 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000375743126 374675170 /nfs/dbraw/zinc/67/51/70/374675170.db2.gz NJCMYWJYXGHONC-VXGBXAGGSA-N 1 2 289.301 2.209 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000375743126 374675176 /nfs/dbraw/zinc/67/51/76/374675176.db2.gz NJCMYWJYXGHONC-VXGBXAGGSA-N 1 2 289.301 2.209 20 30 CEEDLO N#CCC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000574540627 335028452 /nfs/dbraw/zinc/02/84/52/335028452.db2.gz USSUDOKCJYQKDZ-LLVKDONJSA-N 1 2 258.243 2.242 20 30 CEEDLO C=CCCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000279462697 374883826 /nfs/dbraw/zinc/88/38/26/374883826.db2.gz MVBCFOOHWXWZPV-CYBMUJFWSA-N 1 2 276.384 2.063 20 30 CEEDLO C=CCCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000279462697 374883831 /nfs/dbraw/zinc/88/38/31/374883831.db2.gz MVBCFOOHWXWZPV-CYBMUJFWSA-N 1 2 276.384 2.063 20 30 CEEDLO N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000378522140 375121356 /nfs/dbraw/zinc/12/13/56/375121356.db2.gz RHQMOEFDZDLEFW-AWEZNQCLSA-N 1 2 296.330 2.024 20 30 CEEDLO CCc1nc(C)c(C[NH2+]Cc2nc(C#N)cs2)o1 ZINC000386142827 375253792 /nfs/dbraw/zinc/25/37/92/375253792.db2.gz RFAGELNJQYDOIG-UHFFFAOYSA-N 1 2 262.338 2.163 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)c(Cl)c1 ZINC000414163076 375799145 /nfs/dbraw/zinc/79/91/45/375799145.db2.gz MUTGDAHAMNEBNG-SNVBAGLBSA-N 1 2 286.734 2.064 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)c(Cl)c1 ZINC000414163076 375799151 /nfs/dbraw/zinc/79/91/51/375799151.db2.gz MUTGDAHAMNEBNG-SNVBAGLBSA-N 1 2 286.734 2.064 20 30 CEEDLO C[NH2+]Cc1noc(CCCCOc2cccc(C#N)c2)n1 ZINC000414651641 375901410 /nfs/dbraw/zinc/90/14/10/375901410.db2.gz ZQJZSNAHAIWZNL-UHFFFAOYSA-N 1 2 286.335 2.062 20 30 CEEDLO N#Cc1ccnc(N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000287758518 376309683 /nfs/dbraw/zinc/30/96/83/376309683.db2.gz HHZGBLAPZVCYQN-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1ccnc(N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000287758518 376309687 /nfs/dbraw/zinc/30/96/87/376309687.db2.gz HHZGBLAPZVCYQN-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)NCC3(C#N)CCC3)cn21 ZINC000419468050 376456314 /nfs/dbraw/zinc/45/63/14/376456314.db2.gz ZKBLFRIFJITQFK-UHFFFAOYSA-N 1 2 297.362 2.136 20 30 CEEDLO CCN(C(=O)NC[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000328616303 376860486 /nfs/dbraw/zinc/86/04/86/376860486.db2.gz SIOMUVLVRZGIMD-NSHDSACASA-N 1 2 262.357 2.159 20 30 CEEDLO CCc1nn(C)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328783406 376896569 /nfs/dbraw/zinc/89/65/69/376896569.db2.gz JXFRIFAOPOKFNQ-JTQLQIEISA-N 1 2 273.340 2.030 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCc2n[nH]cc2C1 ZINC000328870505 376912131 /nfs/dbraw/zinc/91/21/31/376912131.db2.gz PPXNJDCPMUNOLL-RYUDHWBXSA-N 1 2 299.378 2.245 20 30 CEEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)[C@H]1CCNC1=O ZINC000328890072 376918215 /nfs/dbraw/zinc/91/82/15/376918215.db2.gz REQAGCQURLEBTM-PWSUYJOCSA-N 1 2 267.373 2.325 20 30 CEEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000328890072 376918221 /nfs/dbraw/zinc/91/82/21/376918221.db2.gz REQAGCQURLEBTM-PWSUYJOCSA-N 1 2 267.373 2.325 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000562536279 376926224 /nfs/dbraw/zinc/92/62/24/376926224.db2.gz VXQSFWHAXKXKDZ-OLZOCXBDSA-N 1 2 274.368 2.222 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000562536279 376926230 /nfs/dbraw/zinc/92/62/30/376926230.db2.gz VXQSFWHAXKXKDZ-OLZOCXBDSA-N 1 2 274.368 2.222 20 30 CEEDLO N#CC1(C(=O)Nc2c[nH+]c3n2CCCC3)CCCC1 ZINC000562562390 376933785 /nfs/dbraw/zinc/93/37/85/376933785.db2.gz SVAYYKHCQKVUAS-UHFFFAOYSA-N 1 2 258.325 2.242 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329355320 376951746 /nfs/dbraw/zinc/95/17/46/376951746.db2.gz YUUMVASJBXTBCG-UHFFFAOYSA-N 1 2 299.378 2.371 20 30 CEEDLO Cc1cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1Cl ZINC000563220639 377133472 /nfs/dbraw/zinc/13/34/72/377133472.db2.gz TVZJKDLSIZBBNU-HNNXBMFYSA-N 1 2 293.798 2.151 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(Br)n1 ZINC000292367420 377241334 /nfs/dbraw/zinc/24/13/34/377241334.db2.gz GIFPVYGQVNBJFQ-VIFPVBQESA-N 1 2 268.158 2.436 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(Br)n1 ZINC000292367420 377241340 /nfs/dbraw/zinc/24/13/40/377241340.db2.gz GIFPVYGQVNBJFQ-VIFPVBQESA-N 1 2 268.158 2.436 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000563388245 377199933 /nfs/dbraw/zinc/19/99/33/377199933.db2.gz XRBGURJMBXLRJE-LLVKDONJSA-N 1 2 280.331 2.049 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000563388245 377199939 /nfs/dbraw/zinc/19/99/39/377199939.db2.gz XRBGURJMBXLRJE-LLVKDONJSA-N 1 2 280.331 2.049 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563969659 377331091 /nfs/dbraw/zinc/33/10/91/377331091.db2.gz CDYXRESEIBPZFI-ZDUSSCGKSA-N 1 2 276.384 2.377 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563969659 377331096 /nfs/dbraw/zinc/33/10/96/377331096.db2.gz CDYXRESEIBPZFI-ZDUSSCGKSA-N 1 2 276.384 2.377 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)ncn1 ZINC000428952966 377503252 /nfs/dbraw/zinc/50/32/52/377503252.db2.gz NJOLBOPGKAVXKB-UHFFFAOYSA-N 1 2 287.363 2.449 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)ncn1 ZINC000428952966 377503255 /nfs/dbraw/zinc/50/32/55/377503255.db2.gz NJOLBOPGKAVXKB-UHFFFAOYSA-N 1 2 287.363 2.449 20 30 CEEDLO C[C@H](c1cnccn1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331537240 377464665 /nfs/dbraw/zinc/46/46/65/377464665.db2.gz LPVHQWDGZSUMFO-CXAGYDPISA-N 1 2 294.358 2.483 20 30 CEEDLO C[C@H](c1cnccn1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331537240 377464670 /nfs/dbraw/zinc/46/46/70/377464670.db2.gz LPVHQWDGZSUMFO-CXAGYDPISA-N 1 2 294.358 2.483 20 30 CEEDLO C=CC[N@H+](CCC#N)CCC(=O)NCC1CCCCC1 ZINC000428846793 377500660 /nfs/dbraw/zinc/50/06/60/377500660.db2.gz DNLRSYFJNGCUPO-UHFFFAOYSA-N 1 2 277.412 2.475 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCC(=O)NCC1CCCCC1 ZINC000428846793 377500670 /nfs/dbraw/zinc/50/06/70/377500670.db2.gz DNLRSYFJNGCUPO-UHFFFAOYSA-N 1 2 277.412 2.475 20 30 CEEDLO CC(C)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000265465248 190184413 /nfs/dbraw/zinc/18/44/13/190184413.db2.gz HMXJDZUSNZGAOP-AWEZNQCLSA-N 1 2 285.391 2.419 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000565174350 377589657 /nfs/dbraw/zinc/58/96/57/377589657.db2.gz QCJMGVZBFBOMLT-REWJHTLYSA-N 1 2 265.401 2.209 20 30 CEEDLO N#C[C@@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000565727238 377692914 /nfs/dbraw/zinc/69/29/14/377692914.db2.gz DZQLJNDMWKXQBF-CQSZACIVSA-N 1 2 262.378 2.317 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000565960999 377709119 /nfs/dbraw/zinc/70/91/19/377709119.db2.gz QOJKSIKPOUEUNJ-LLVKDONJSA-N 1 2 268.320 2.407 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000565960999 377709131 /nfs/dbraw/zinc/70/91/31/377709131.db2.gz QOJKSIKPOUEUNJ-LLVKDONJSA-N 1 2 268.320 2.407 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433109727 377780520 /nfs/dbraw/zinc/78/05/20/377780520.db2.gz LWSMNAYSIUOSNV-CJNGLKHVSA-N 1 2 290.411 2.217 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)[C@H]1C ZINC000433298625 377784126 /nfs/dbraw/zinc/78/41/26/377784126.db2.gz OYMGQARCZCTFHV-RDBSUJKOSA-N 1 2 279.428 2.409 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)[C@H]1C ZINC000433298625 377784136 /nfs/dbraw/zinc/78/41/36/377784136.db2.gz OYMGQARCZCTFHV-RDBSUJKOSA-N 1 2 279.428 2.409 20 30 CEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000435533598 377806671 /nfs/dbraw/zinc/80/66/71/377806671.db2.gz WHSKKVXFRYZHJJ-HNNXBMFYSA-N 1 2 274.364 2.000 20 30 CEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000435533598 377806675 /nfs/dbraw/zinc/80/66/75/377806675.db2.gz WHSKKVXFRYZHJJ-HNNXBMFYSA-N 1 2 274.364 2.000 20 30 CEEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)C[C@H](C)C#N ZINC000435980345 377814410 /nfs/dbraw/zinc/81/44/10/377814410.db2.gz GRTSPQBJXBLTEP-ZOBORPQBSA-N 1 2 265.401 2.256 20 30 CEEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)C[C@H](C)C#N ZINC000435980345 377814418 /nfs/dbraw/zinc/81/44/18/377814418.db2.gz GRTSPQBJXBLTEP-ZOBORPQBSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)(C#N)CCCn1c2ccccc2[nH+]c1NCCO ZINC000433601594 377792197 /nfs/dbraw/zinc/79/21/97/377792197.db2.gz ZUUFGPCNVGFHER-UHFFFAOYSA-N 1 2 286.379 2.192 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000437895922 377871596 /nfs/dbraw/zinc/87/15/96/377871596.db2.gz MOUNSJGSGXNSEQ-OAHLLOKOSA-N 1 2 287.407 2.411 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000437895922 377871601 /nfs/dbraw/zinc/87/16/01/377871601.db2.gz MOUNSJGSGXNSEQ-OAHLLOKOSA-N 1 2 287.407 2.411 20 30 CEEDLO OCCO[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167243 377934298 /nfs/dbraw/zinc/93/42/98/377934298.db2.gz HZCNKCMRASHAGH-OAHLLOKOSA-N 1 2 293.794 2.165 20 30 CEEDLO OCCO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167243 377934301 /nfs/dbraw/zinc/93/43/01/377934301.db2.gz HZCNKCMRASHAGH-OAHLLOKOSA-N 1 2 293.794 2.165 20 30 CEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)OC ZINC000265981718 190220696 /nfs/dbraw/zinc/22/06/96/190220696.db2.gz BQTJTIZUDAUXGB-LBPRGKRZSA-N 1 2 263.337 2.245 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)OC ZINC000265981718 190220697 /nfs/dbraw/zinc/22/06/97/190220697.db2.gz BQTJTIZUDAUXGB-LBPRGKRZSA-N 1 2 263.337 2.245 20 30 CEEDLO C#CCO[C@H](C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000294612340 377999882 /nfs/dbraw/zinc/99/98/82/377999882.db2.gz XGBKMRDNCLAFHN-GFCCVEGCSA-N 1 2 283.331 2.064 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CCCSC1)C(=O)OCC ZINC000449659969 378218672 /nfs/dbraw/zinc/21/86/72/378218672.db2.gz WTIQZVBMCIYIKF-RYUDHWBXSA-N 1 2 257.399 2.370 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)[C@@]2(C#N)C[C@H]2C)c[nH+]1 ZINC000448715197 378180227 /nfs/dbraw/zinc/18/02/27/378180227.db2.gz CWQIMVBSMVMKGQ-MLGOLLRUSA-N 1 2 286.379 2.094 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](CC)C[C@@H](C)C#N)nc1 ZINC000450325941 378356406 /nfs/dbraw/zinc/35/64/06/378356406.db2.gz GFNDJFRTURCNSA-LBPRGKRZSA-N 1 2 275.352 2.240 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](CC)C[C@@H](C)C#N)nc1 ZINC000450325941 378356410 /nfs/dbraw/zinc/35/64/10/378356410.db2.gz GFNDJFRTURCNSA-LBPRGKRZSA-N 1 2 275.352 2.240 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)CCC1 ZINC000450394206 378391203 /nfs/dbraw/zinc/39/12/03/378391203.db2.gz PPJXUGCVZDHPBO-UWVGGRQHSA-N 1 2 262.275 2.068 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)CCC1 ZINC000450394206 378391207 /nfs/dbraw/zinc/39/12/07/378391207.db2.gz 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Cc1noc([C@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000554357616 380766353 /nfs/dbraw/zinc/76/63/53/380766353.db2.gz FPCBWFPROYCZAN-NSHDSACASA-N 1 2 286.335 2.322 20 30 CEEDLO N#Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1F ZINC000279192157 194326268 /nfs/dbraw/zinc/32/62/68/194326268.db2.gz JQFWFZMQRJTJDA-UHFFFAOYSA-N 1 2 298.321 2.440 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC(CCC#N)CC1 ZINC000493534686 381043789 /nfs/dbraw/zinc/04/37/89/381043789.db2.gz ZAMFRGQNOAACOG-WAYWQWQTSA-N 1 2 286.379 2.459 20 30 CEEDLO CCc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000493794752 381146620 /nfs/dbraw/zinc/14/66/20/381146620.db2.gz RLAHGDXNPOAJOB-DVQDXYAYSA-N 1 2 285.391 2.222 20 30 CEEDLO C=CC[C@H](CO)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000495071122 381166334 /nfs/dbraw/zinc/16/63/34/381166334.db2.gz WUOGLZIMIHCFBF-JSGCOSHPSA-N 1 2 278.400 2.200 20 30 CEEDLO Cc1cc(C)cc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493692903 381133901 /nfs/dbraw/zinc/13/39/01/381133901.db2.gz 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C[C@H](CNC(=O)c1ccc(CC#N)cc1)Cn1cc[nH+]c1 ZINC000270302801 394730730 /nfs/dbraw/zinc/73/07/30/394730730.db2.gz DVSXBUNYIVEQJK-CYBMUJFWSA-N 1 2 282.347 2.015 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000269558786 394718569 /nfs/dbraw/zinc/71/85/69/394718569.db2.gz KFCKARHXOIVQNC-KBPBESRZSA-N 1 2 285.391 2.051 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000269558786 394718571 /nfs/dbraw/zinc/71/85/71/394718571.db2.gz KFCKARHXOIVQNC-KBPBESRZSA-N 1 2 285.391 2.051 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269638643 394719586 /nfs/dbraw/zinc/71/95/86/394719586.db2.gz NKWPYHHNPBOEOW-STQMWFEESA-N 1 2 257.341 2.033 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269638643 394719593 /nfs/dbraw/zinc/71/95/93/394719593.db2.gz NKWPYHHNPBOEOW-STQMWFEESA-N 1 2 257.341 2.033 20 30 CEEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2ccc(O)c(O)c2O)CCO1 ZINC000271457758 394757932 /nfs/dbraw/zinc/75/79/32/394757932.db2.gz 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C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366799323 394952617 /nfs/dbraw/zinc/95/26/17/394952617.db2.gz ZAYRJGBPMCOKDV-RWMBFGLXSA-N 1 2 259.777 2.397 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1c[nH+]ccc1OC ZINC000286772359 395028658 /nfs/dbraw/zinc/02/86/58/395028658.db2.gz HXHCFGCMHOJTEY-TZMCWYRMSA-N 1 2 277.320 2.115 20 30 CEEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000370790814 395013133 /nfs/dbraw/zinc/01/31/33/395013133.db2.gz RHWNLLZBHFCBAJ-UHFFFAOYSA-N 1 2 291.395 2.292 20 30 CEEDLO C=CCCC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000370790814 395013135 /nfs/dbraw/zinc/01/31/35/395013135.db2.gz RHWNLLZBHFCBAJ-UHFFFAOYSA-N 1 2 291.395 2.292 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000134968650 394960525 /nfs/dbraw/zinc/96/05/25/394960525.db2.gz QOWXQHDBJLYGNB-INIZCTEOSA-N 1 2 284.363 2.486 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000135075923 394962516 /nfs/dbraw/zinc/96/25/16/394962516.db2.gz 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/nfs/dbraw/zinc/06/59/50/395065950.db2.gz CXUSOYSLJIXCHI-CZUORRHYSA-N 1 2 286.379 2.289 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]1c1ccccc1F ZINC000374045684 395070752 /nfs/dbraw/zinc/07/07/52/395070752.db2.gz YTRKWFHNXJATLV-WFASDCNBSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]1c1ccccc1F ZINC000374045684 395070757 /nfs/dbraw/zinc/07/07/57/395070757.db2.gz YTRKWFHNXJATLV-WFASDCNBSA-N 1 2 289.354 2.333 20 30 CEEDLO CC(C)CN1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000426235123 395074822 /nfs/dbraw/zinc/07/48/22/395074822.db2.gz FVJRTZAHYWRMJM-AWEZNQCLSA-N 1 2 285.391 2.247 20 30 CEEDLO CC(C)CN1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000426235123 395074825 /nfs/dbraw/zinc/07/48/25/395074825.db2.gz FVJRTZAHYWRMJM-AWEZNQCLSA-N 1 2 285.391 2.247 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000374290575 395079834 /nfs/dbraw/zinc/07/98/34/395079834.db2.gz DOPOALFRUOVYGU-MRXNPFEDSA-N 1 2 276.355 2.168 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000374290575 395079838 /nfs/dbraw/zinc/07/98/38/395079838.db2.gz DOPOALFRUOVYGU-MRXNPFEDSA-N 1 2 276.355 2.168 20 30 CEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000346281715 395093839 /nfs/dbraw/zinc/09/38/39/395093839.db2.gz LQYQECGSNUGMER-MRXNPFEDSA-N 1 2 297.402 2.066 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000375457310 395093885 /nfs/dbraw/zinc/09/38/85/395093885.db2.gz LYHLRUCTZQNTJS-NSHDSACASA-N 1 2 259.353 2.130 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000375457310 395093887 /nfs/dbraw/zinc/09/38/87/395093887.db2.gz LYHLRUCTZQNTJS-NSHDSACASA-N 1 2 259.353 2.130 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286951335 395031629 /nfs/dbraw/zinc/03/16/29/395031629.db2.gz MPBCRDFHTJCTCF-CYBMUJFWSA-N 1 2 264.394 2.433 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286951335 395031632 /nfs/dbraw/zinc/03/16/32/395031632.db2.gz MPBCRDFHTJCTCF-CYBMUJFWSA-N 1 2 264.394 2.433 20 30 CEEDLO COCC1(C#N)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000343152882 395033440 /nfs/dbraw/zinc/03/34/40/395033440.db2.gz XHOFTVGWMSKVNN-UHFFFAOYSA-N 1 2 272.352 2.111 20 30 CEEDLO C=C(Br)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372197923 395036939 /nfs/dbraw/zinc/03/69/39/395036939.db2.gz UNUKMPNKYRQJJM-UHFFFAOYSA-N 1 2 290.201 2.167 20 30 CEEDLO C=C(Br)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000372197923 395036941 /nfs/dbraw/zinc/03/69/41/395036941.db2.gz UNUKMPNKYRQJJM-UHFFFAOYSA-N 1 2 290.201 2.167 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000348193216 395138855 /nfs/dbraw/zinc/13/88/55/395138855.db2.gz AHARKZWCSJJQFB-OAHLLOKOSA-N 1 2 290.326 2.005 20 30 CEEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178133002 395161081 /nfs/dbraw/zinc/16/10/81/395161081.db2.gz GTWGOEPFERARRJ-JTQLQIEISA-N 1 2 297.786 2.282 20 30 CEEDLO C=CCC(F)(F)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000293757058 395250554 /nfs/dbraw/zinc/25/05/54/395250554.db2.gz WTMSOYVWUJJRJE-UHFFFAOYSA-N 1 2 279.290 2.470 20 30 CEEDLO CC#CCN(C)c1cc(C)nc([C@H](C)[N@H+](C)CC#CC)n1 ZINC000293108677 395219204 /nfs/dbraw/zinc/21/92/04/395219204.db2.gz LORNARKTSRJQDI-HNNXBMFYSA-N 1 2 284.407 2.261 20 30 CEEDLO CC#CCN(C)c1cc(C)nc([C@H](C)[N@@H+](C)CC#CC)n1 ZINC000293108677 395219207 /nfs/dbraw/zinc/21/92/07/395219207.db2.gz LORNARKTSRJQDI-HNNXBMFYSA-N 1 2 284.407 2.261 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187094195 395297463 /nfs/dbraw/zinc/29/74/63/395297463.db2.gz JARKLQSUUIYEJF-UHFFFAOYSA-N 1 2 285.391 2.167 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187094195 395297466 /nfs/dbraw/zinc/29/74/66/395297466.db2.gz JARKLQSUUIYEJF-UHFFFAOYSA-N 1 2 285.391 2.167 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000411321219 395327186 /nfs/dbraw/zinc/32/71/86/395327186.db2.gz HIGZVXXEILCZQV-SWLSCSKDSA-N 1 2 260.337 2.458 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000411321219 395327190 /nfs/dbraw/zinc/32/71/90/395327190.db2.gz HIGZVXXEILCZQV-SWLSCSKDSA-N 1 2 260.337 2.458 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352489499 395260682 /nfs/dbraw/zinc/26/06/82/395260682.db2.gz AVHUIPVMULOHIU-HZSPNIEDSA-N 1 2 295.402 2.492 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000530495972 395456664 /nfs/dbraw/zinc/45/66/64/395456664.db2.gz NQGLXUWTAQIWOZ-KGLIPLIRSA-N 1 2 290.388 2.190 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000530495972 395456666 /nfs/dbraw/zinc/45/66/66/395456666.db2.gz NQGLXUWTAQIWOZ-KGLIPLIRSA-N 1 2 290.388 2.190 20 30 CEEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000567995585 395543837 /nfs/dbraw/zinc/54/38/37/395543837.db2.gz PDSKWOFYPXAZDN-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)c1ccccc1 ZINC000568181315 395549946 /nfs/dbraw/zinc/54/99/46/395549946.db2.gz POLLMPKXQUZOSH-CHWSQXEVSA-N 1 2 259.353 2.320 20 30 CEEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000568646434 395564706 /nfs/dbraw/zinc/56/47/06/395564706.db2.gz GBBCFOGWLJFUDM-HNNXBMFYSA-N 1 2 285.391 2.408 20 30 CEEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCC(C)(C)C#N)c1 ZINC000568646434 395564708 /nfs/dbraw/zinc/56/47/08/395564708.db2.gz GBBCFOGWLJFUDM-HNNXBMFYSA-N 1 2 285.391 2.408 20 30 CEEDLO CCCC[C@H]([NH2+][C@@H](CC)CC#N)C(=O)Nc1cc(C)on1 ZINC000570407987 395582025 /nfs/dbraw/zinc/58/20/25/395582025.db2.gz RUWCQIHVWKXHIR-STQMWFEESA-N 1 2 292.383 2.184 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451121343 395583514 /nfs/dbraw/zinc/58/35/14/395583514.db2.gz OALYVTRIUABYLR-YUELXQCFSA-N 1 2 283.391 2.253 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451121343 395583515 /nfs/dbraw/zinc/58/35/15/395583515.db2.gz OALYVTRIUABYLR-YUELXQCFSA-N 1 2 283.391 2.253 20 30 CEEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575049481 395644850 /nfs/dbraw/zinc/64/48/50/395644850.db2.gz CVMSLCBZTPFEQZ-ZDUSSCGKSA-N 1 2 275.308 2.077 20 30 CEEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575049481 395644852 /nfs/dbraw/zinc/64/48/52/395644852.db2.gz CVMSLCBZTPFEQZ-ZDUSSCGKSA-N 1 2 275.308 2.077 20 30 CEEDLO CC(C)C[C@@H](CO)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412137 395666212 /nfs/dbraw/zinc/66/62/12/395666212.db2.gz QXHPBRWQSLQDIH-ZDUSSCGKSA-N 1 2 291.351 2.305 20 30 CEEDLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412137 395666213 /nfs/dbraw/zinc/66/62/13/395666213.db2.gz QXHPBRWQSLQDIH-ZDUSSCGKSA-N 1 2 291.351 2.305 20 30 CEEDLO N#C[C@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595635110 395666398 /nfs/dbraw/zinc/66/63/98/395666398.db2.gz KJHXJJXEXPUGAN-QKPAOTATSA-N 1 2 256.349 2.344 20 30 CEEDLO N#C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595635110 395666400 /nfs/dbraw/zinc/66/64/00/395666400.db2.gz KJHXJJXEXPUGAN-QKPAOTATSA-N 1 2 256.349 2.344 20 30 CEEDLO N#Cc1ccc(OC2C[NH+](Cc3ccccn3)C2)cc1 ZINC000459621488 395666545 /nfs/dbraw/zinc/66/65/45/395666545.db2.gz WUGCVFNTMPORKP-UHFFFAOYSA-N 1 2 265.316 2.216 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000492235620 395670971 /nfs/dbraw/zinc/67/09/71/395670971.db2.gz ZYICJDURDBKJPF-BQYQJAHWSA-N 1 2 294.358 2.317 20 30 CEEDLO N#Cc1ccc(-n2ccc(NCc3[nH]cc[nH+]3)n2)c(Cl)c1 ZINC000359945032 155176848 /nfs/dbraw/zinc/17/68/48/155176848.db2.gz BYPJPVNSTSPILM-UHFFFAOYSA-N 1 2 298.737 2.154 20 30 CEEDLO Cc1nc(N(C)Cc2[nH]cc[nH+]2)c(Cl)cc1C#N ZINC000360074923 155208675 /nfs/dbraw/zinc/20/86/75/155208675.db2.gz RXGYKUZTVILVGH-UHFFFAOYSA-N 1 2 261.716 2.275 20 30 CEEDLO Cc1ccc([C@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)o1 ZINC000191431736 153171044 /nfs/dbraw/zinc/17/10/44/153171044.db2.gz FOHPIFZZJAQGDB-MRXNPFEDSA-N 1 2 285.347 2.372 20 30 CEEDLO Cc1ccc([C@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)o1 ZINC000191431736 153171045 /nfs/dbraw/zinc/17/10/45/153171045.db2.gz FOHPIFZZJAQGDB-MRXNPFEDSA-N 1 2 285.347 2.372 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1CC(F)F ZINC000191418161 153172104 /nfs/dbraw/zinc/17/21/04/153172104.db2.gz XHWFYGXDTFLHIO-CYBMUJFWSA-N 1 2 296.365 2.058 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1CC(F)F ZINC000191418161 153172106 /nfs/dbraw/zinc/17/21/06/153172106.db2.gz XHWFYGXDTFLHIO-CYBMUJFWSA-N 1 2 296.365 2.058 20 30 CEEDLO Cc1nc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1C#N ZINC000194704601 153262320 /nfs/dbraw/zinc/26/23/20/153262320.db2.gz FXQHCZHKERHMFN-AWEZNQCLSA-N 1 2 295.346 2.352 20 30 CEEDLO C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000354727766 154344863 /nfs/dbraw/zinc/34/48/63/154344863.db2.gz HGFYDHNHEJCWJY-COXVUDFISA-N 1 2 286.375 2.499 20 30 CEEDLO C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000354727766 154344868 /nfs/dbraw/zinc/34/48/68/154344868.db2.gz HGFYDHNHEJCWJY-COXVUDFISA-N 1 2 286.375 2.499 20 30 CEEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000362516587 155867400 /nfs/dbraw/zinc/86/74/00/155867400.db2.gz QSWQLUIIKOADNO-SNVBAGLBSA-N 1 2 279.409 2.355 20 30 CEEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000362516587 155867406 /nfs/dbraw/zinc/86/74/06/155867406.db2.gz QSWQLUIIKOADNO-SNVBAGLBSA-N 1 2 279.409 2.355 20 30 CEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCOC2=O)CC1 ZINC000370087308 156542424 /nfs/dbraw/zinc/54/24/24/156542424.db2.gz QIODCNWFCYRNSK-UHFFFAOYSA-N 1 2 288.322 2.226 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000375934053 157163496 /nfs/dbraw/zinc/16/34/96/157163496.db2.gz ULEMMEUPYIMETH-HNNXBMFYSA-N 1 2 294.358 2.312 20 30 CEEDLO Cc1cc(C#N)nc(N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000376451818 157225519 /nfs/dbraw/zinc/22/55/19/157225519.db2.gz XCUAAZGPFHFAQK-ZDUSSCGKSA-N 1 2 294.362 2.133 20 30 CEEDLO N#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178353802 165238525 /nfs/dbraw/zinc/23/85/25/165238525.db2.gz OKFHKMZKDMHXSE-UHFFFAOYSA-N 1 2 276.299 2.136 20 30 CEEDLO N#Cc1csc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178359013 165239263 /nfs/dbraw/zinc/23/92/63/165239263.db2.gz AOAZQNYLXZQFSW-UHFFFAOYSA-N 1 2 282.328 2.197 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)cs1)C(C)C ZINC000179425301 165281056 /nfs/dbraw/zinc/28/10/56/165281056.db2.gz VWDKBRQXOHXYNI-UHFFFAOYSA-N 1 2 266.366 2.393 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)cs1)C(C)C ZINC000179425301 165281061 /nfs/dbraw/zinc/28/10/61/165281061.db2.gz VWDKBRQXOHXYNI-UHFFFAOYSA-N 1 2 266.366 2.393 20 30 CEEDLO C=C(C)[C@H]([NH2+][C@@H]1CON(CC)C1=O)c1ccc(F)c(F)c1 ZINC000660312265 414765015 /nfs/dbraw/zinc/76/50/15/414765015.db2.gz OYLBTRXTTAKMKE-KGLIPLIRSA-N 1 2 296.317 2.334 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccccc2)nn1 ZINC000653488146 415011041 /nfs/dbraw/zinc/01/10/41/415011041.db2.gz CAQDXSMDNUQQKW-UHFFFAOYSA-N 1 2 256.353 2.486 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)Cc2ccccc2)nn1 ZINC000653488146 415011046 /nfs/dbraw/zinc/01/10/46/415011046.db2.gz CAQDXSMDNUQQKW-UHFFFAOYSA-N 1 2 256.353 2.486 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](CO)c2sccc2C)nn1 ZINC000653623892 415057116 /nfs/dbraw/zinc/05/71/16/415057116.db2.gz PSJBNGKKPRLIHI-CYBMUJFWSA-N 1 2 292.408 2.047 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)nn1 ZINC000653678673 415073685 /nfs/dbraw/zinc/07/36/85/415073685.db2.gz WHEUWVWROSLRRM-HUUCEWRRSA-N 1 2 290.411 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)nn1 ZINC000653678673 415073688 /nfs/dbraw/zinc/07/36/88/415073688.db2.gz WHEUWVWROSLRRM-HUUCEWRRSA-N 1 2 290.411 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCOCC23CCCCC3)nn1 ZINC000653750902 415092530 /nfs/dbraw/zinc/09/25/30/415092530.db2.gz YNCZXVUEPAORJV-UHFFFAOYSA-N 1 2 290.411 2.389 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCOCC23CCCCC3)nn1 ZINC000653750902 415092536 /nfs/dbraw/zinc/09/25/36/415092536.db2.gz YNCZXVUEPAORJV-UHFFFAOYSA-N 1 2 290.411 2.389 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)nn1 ZINC000653761754 415095906 /nfs/dbraw/zinc/09/59/06/415095906.db2.gz FFRQARXBPYDDJT-SJORKVTESA-N 1 2 298.390 2.162 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)nn1 ZINC000653761754 415095911 /nfs/dbraw/zinc/09/59/11/415095911.db2.gz FFRQARXBPYDDJT-SJORKVTESA-N 1 2 298.390 2.162 20 30 CEEDLO C=CCN(c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)C1CC1 ZINC000663768484 415042186 /nfs/dbraw/zinc/04/21/86/415042186.db2.gz IOJRGGQVAFMTDA-UHFFFAOYSA-N 1 2 286.383 2.318 20 30 CEEDLO C=CC[N@H+](Cc1nc(-c2ccco2)no1)[C@H](C)COC ZINC000661248709 415157188 /nfs/dbraw/zinc/15/71/88/415157188.db2.gz WVZYVZNDEQNVHH-LLVKDONJSA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@@H+](Cc1nc(-c2ccco2)no1)[C@H](C)COC ZINC000661248709 415157193 /nfs/dbraw/zinc/15/71/93/415157193.db2.gz WVZYVZNDEQNVHH-LLVKDONJSA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[C@H]1CCCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000664253658 415245429 /nfs/dbraw/zinc/24/54/29/415245429.db2.gz QGUHKVJBONZNIG-OLZOCXBDSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CC[C@H]1CCCN(c2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000664253658 415245436 /nfs/dbraw/zinc/24/54/36/415245436.db2.gz QGUHKVJBONZNIG-OLZOCXBDSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CCOCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000664386751 415313051 /nfs/dbraw/zinc/31/30/51/415313051.db2.gz TXFJHYPVBWBAES-UHFFFAOYSA-N 1 2 294.424 2.034 20 30 CEEDLO C=CCOCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000664386751 415313058 /nfs/dbraw/zinc/31/30/58/415313058.db2.gz TXFJHYPVBWBAES-UHFFFAOYSA-N 1 2 294.424 2.034 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833456 415492671 /nfs/dbraw/zinc/49/26/71/415492671.db2.gz SHRJZVZRVDYXIP-GXTWGEPZSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833456 415492682 /nfs/dbraw/zinc/49/26/82/415492682.db2.gz SHRJZVZRVDYXIP-GXTWGEPZSA-N 1 2 273.380 2.155 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330239678 287321070 /nfs/dbraw/zinc/32/10/70/287321070.db2.gz BFDANWIQIOIWSN-OLZOCXBDSA-N 1 2 276.384 2.234 20 30 CEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc(C2CC2)n1 ZINC000329119235 227310790 /nfs/dbraw/zinc/31/07/90/227310790.db2.gz VHYWNOXBVFLDLP-SNVBAGLBSA-N 1 2 295.408 2.046 20 30 CEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1csc(C2CC2)n1 ZINC000329119235 227310794 /nfs/dbraw/zinc/31/07/94/227310794.db2.gz VHYWNOXBVFLDLP-SNVBAGLBSA-N 1 2 295.408 2.046 20 30 CEEDLO N#Cc1cnc(Nc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000106463792 227937655 /nfs/dbraw/zinc/93/76/55/227937655.db2.gz JKPCWTTVOFJWTA-UHFFFAOYSA-N 1 2 266.308 2.087 20 30 CEEDLO Cc1ccc(NC(=O)N2CCO[C@H](C3CC3)C2)c(C)[nH+]1 ZINC000330127478 228045387 /nfs/dbraw/zinc/04/53/87/228045387.db2.gz JBGWBUVVHXDPPS-AWEZNQCLSA-N 1 2 275.352 2.355 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000332167601 228150736 /nfs/dbraw/zinc/15/07/36/228150736.db2.gz KHYMWTNRHQZQBO-DOMZBBRYSA-N 1 2 267.336 2.049 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601956397 419422193 /nfs/dbraw/zinc/42/21/93/419422193.db2.gz ZLIUWTRNRZGUFA-AWEZNQCLSA-N 1 2 299.374 2.416 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NC1CC1 ZINC000298316787 260149900 /nfs/dbraw/zinc/14/99/00/260149900.db2.gz YXJSEDUERSDXTL-GFCCVEGCSA-N 1 2 276.355 2.481 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NC1CC1 ZINC000298316787 260149902 /nfs/dbraw/zinc/14/99/02/260149902.db2.gz YXJSEDUERSDXTL-GFCCVEGCSA-N 1 2 276.355 2.481 20 30 CEEDLO C=C(Cl)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000298648729 260160100 /nfs/dbraw/zinc/16/01/00/260160100.db2.gz QEYXKAUBJMQKIB-GFCCVEGCSA-N 1 2 273.163 2.383 20 30 CEEDLO C=CC[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000427014974 260547828 /nfs/dbraw/zinc/54/78/28/260547828.db2.gz JILIBDRMDUOKND-ZDUSSCGKSA-N 1 2 255.321 2.386 20 30 CEEDLO N#CC1(C(=O)NCCCNc2cccc[nH+]2)CCCC1 ZINC000118724198 260689832 /nfs/dbraw/zinc/68/98/32/260689832.db2.gz SDWMZHCVXNVZFD-UHFFFAOYSA-N 1 2 272.352 2.084 20 30 CEEDLO C#CC[N@@H+](Cn1ccsc1=O)[C@H]1CCc2ccccc21 ZINC000490865869 261230461 /nfs/dbraw/zinc/23/04/61/261230461.db2.gz JNDUBCWKXFVSGS-HNNXBMFYSA-N 1 2 284.384 2.490 20 30 CEEDLO C#CC[N@H+](Cn1ccsc1=O)[C@H]1CCc2ccccc21 ZINC000490865869 261230462 /nfs/dbraw/zinc/23/04/62/261230462.db2.gz JNDUBCWKXFVSGS-HNNXBMFYSA-N 1 2 284.384 2.490 20 30 CEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000007017605 261287073 /nfs/dbraw/zinc/28/70/73/261287073.db2.gz QLGOTVMLGGFIAW-MRXNPFEDSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000007017605 261287076 /nfs/dbraw/zinc/28/70/76/261287076.db2.gz QLGOTVMLGGFIAW-MRXNPFEDSA-N 1 2 289.354 2.066 20 30 CEEDLO C#C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C(C)(C)C ZINC000491231348 261381833 /nfs/dbraw/zinc/38/18/33/261381833.db2.gz SKNQQZCWBFQUMT-LBPRGKRZSA-N 1 2 286.366 2.128 20 30 CEEDLO CSc1ccc(C[NH+]2CCN(CC#N)CC2)cc1 ZINC000171953264 261487759 /nfs/dbraw/zinc/48/77/59/261487759.db2.gz JRNRVBBOHDFNLK-UHFFFAOYSA-N 1 2 261.394 2.050 20 30 CEEDLO COCCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000363932289 262037870 /nfs/dbraw/zinc/03/78/70/262037870.db2.gz QDKLPTCOMZVJEQ-CABCVRRESA-N 1 2 266.385 2.340 20 30 CEEDLO COCCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000363932289 262037876 /nfs/dbraw/zinc/03/78/76/262037876.db2.gz QDKLPTCOMZVJEQ-CABCVRRESA-N 1 2 266.385 2.340 20 30 CEEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CC#N)CC1 ZINC000185507660 262057943 /nfs/dbraw/zinc/05/79/43/262057943.db2.gz YLBJICYGUNVLJK-UHFFFAOYSA-N 1 2 263.772 2.290 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1CCCCOc1ccccc1 ZINC000491807403 262073663 /nfs/dbraw/zinc/07/36/63/262073663.db2.gz SPTCNJXICUZNMN-OAHLLOKOSA-N 1 2 259.349 2.180 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1CCCCOc1ccccc1 ZINC000491807403 262073666 /nfs/dbraw/zinc/07/36/66/262073666.db2.gz SPTCNJXICUZNMN-OAHLLOKOSA-N 1 2 259.349 2.180 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CCC[C@@H]2CCCCO2)c1O ZINC000273797173 263019337 /nfs/dbraw/zinc/01/93/37/263019337.db2.gz XYEGETCDPUQLGN-FBJMNJBLSA-N 1 2 292.379 2.356 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc(F)cn1 ZINC000276057678 263034717 /nfs/dbraw/zinc/03/47/17/263034717.db2.gz KDUZCJGLBJOZMJ-SNVBAGLBSA-N 1 2 269.320 2.071 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N(CCC#N)CC(C)(C)C ZINC000276577133 263037338 /nfs/dbraw/zinc/03/73/38/263037338.db2.gz LDYAVYLWRQNQKP-UHFFFAOYSA-N 1 2 276.384 2.141 20 30 CEEDLO NC(=[NH+]OCc1cc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000283939625 263085114 /nfs/dbraw/zinc/08/51/14/263085114.db2.gz FIVFXEVLFVZXHR-AWEZNQCLSA-N 1 2 287.319 2.309 20 30 CEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000283973436 263085368 /nfs/dbraw/zinc/08/53/68/263085368.db2.gz GLABJDHBWVZVJC-MFKMUULPSA-N 1 2 259.309 2.087 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000285105850 263090308 /nfs/dbraw/zinc/09/03/08/263090308.db2.gz NUSOSDCUPGJBEE-HNNXBMFYSA-N 1 2 270.336 2.199 20 30 CEEDLO NC(COc1ccccc1F)=[NH+]OCCCCF ZINC000285147110 263090463 /nfs/dbraw/zinc/09/04/63/263090463.db2.gz LKPFSFSQVMFZDI-UHFFFAOYSA-N 1 2 258.268 2.243 20 30 CEEDLO CC(C)(C#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000340233729 263098593 /nfs/dbraw/zinc/09/85/93/263098593.db2.gz FKBTVQIXYIVDBE-UHFFFAOYSA-N 1 2 287.363 2.007 20 30 CEEDLO C=C(C)COCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340304338 263107639 /nfs/dbraw/zinc/10/76/39/263107639.db2.gz DCMJSUXQPUIZLT-AWEZNQCLSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COCc1ccccc1F ZINC000292330710 263131147 /nfs/dbraw/zinc/13/11/47/263131147.db2.gz WJOQQNAOBKVVPO-HNNXBMFYSA-N 1 2 292.354 2.105 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)COCc1ccccc1F ZINC000292330710 263131148 /nfs/dbraw/zinc/13/11/48/263131148.db2.gz WJOQQNAOBKVVPO-HNNXBMFYSA-N 1 2 292.354 2.105 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000292768843 263134732 /nfs/dbraw/zinc/13/47/32/263134732.db2.gz JLJVDAVGDZGFRK-QPSCCSFWSA-N 1 2 290.363 2.096 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000292768843 263134733 /nfs/dbraw/zinc/13/47/33/263134733.db2.gz JLJVDAVGDZGFRK-QPSCCSFWSA-N 1 2 290.363 2.096 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000293576460 263143465 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263405348 /nfs/dbraw/zinc/40/53/48/263405348.db2.gz HSPIXHMZIWCECV-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO C[N@H+](Cc1ccccc1N1CCOCC1)CC1(C#N)CC1 ZINC000343251036 264027211 /nfs/dbraw/zinc/02/72/11/264027211.db2.gz PCEJXYSWJSPMAU-UHFFFAOYSA-N 1 2 285.391 2.259 20 30 CEEDLO C[N@@H+](Cc1ccccc1N1CCOCC1)CC1(C#N)CC1 ZINC000343251036 264027215 /nfs/dbraw/zinc/02/72/15/264027215.db2.gz PCEJXYSWJSPMAU-UHFFFAOYSA-N 1 2 285.391 2.259 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330841411 264065221 /nfs/dbraw/zinc/06/52/21/264065221.db2.gz JXFIUHCWFHJVPA-JOYOIKCWSA-N 1 2 261.281 2.082 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)NC[C@H](O)C(C)C)cc2n1C ZINC000331072212 264113840 /nfs/dbraw/zinc/11/38/40/264113840.db2.gz SXQCCKFPPVJZIF-AWEZNQCLSA-N 1 2 275.352 2.203 20 30 CEEDLO Cc1cc(C)c(NC(=O)N(C)Cc2cnccn2)c(C)[nH+]1 ZINC000331251075 264180871 /nfs/dbraw/zinc/18/08/71/264180871.db2.gz ZHIAPZUCAOHTPB-UHFFFAOYSA-N 1 2 285.351 2.474 20 30 CEEDLO C=CCN1CC[C@H](Sc2[nH+]cc3ccccn32)C1=O 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/nfs/dbraw/zinc/34/93/14/332349314.db2.gz VDXGEPHEGMYUEV-UHFFFAOYSA-N 1 2 257.259 2.043 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491787769 332350045 /nfs/dbraw/zinc/35/00/45/332350045.db2.gz WPSJQUAWOGBQCH-VIFPVBQESA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491787769 332350046 /nfs/dbraw/zinc/35/00/46/332350046.db2.gz WPSJQUAWOGBQCH-VIFPVBQESA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491800935 332355542 /nfs/dbraw/zinc/35/55/42/332355542.db2.gz BHKDXZQMGYBZGV-AWEZNQCLSA-N 1 2 259.353 2.300 20 30 CEEDLO C#CC[C@@H](C)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491940436 332376289 /nfs/dbraw/zinc/37/62/89/332376289.db2.gz PIEWKJZJFCZWOR-DNGMOHDESA-N 1 2 279.343 2.414 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CCC#N)CC1CC1 ZINC000492275969 332390425 /nfs/dbraw/zinc/39/04/25/332390425.db2.gz LUWJOPIYCLBEPP-VOTSOKGWSA-N 1 2 272.352 2.068 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000520976103 333109430 /nfs/dbraw/zinc/10/94/30/333109430.db2.gz DPFHXPMJUSOODH-OLZOCXBDSA-N 1 2 286.335 2.108 20 30 CEEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1nnnn1C)c1ccc(F)c(F)c1 ZINC000190009966 333201578 /nfs/dbraw/zinc/20/15/78/333201578.db2.gz RBIOMIYMUVNQCO-NOZJJQNGSA-N 1 2 293.321 2.456 20 30 CEEDLO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CO2 ZINC000521949824 333225891 /nfs/dbraw/zinc/22/58/91/333225891.db2.gz TXNSKYPSSXWLDU-OCCSQVGLSA-N 1 2 255.321 2.462 20 30 CEEDLO CCC[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000522587088 333291605 /nfs/dbraw/zinc/29/16/05/333291605.db2.gz FKFCJIGBNYRVMZ-CYBMUJFWSA-N 1 2 268.320 2.294 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000235099399 333365953 /nfs/dbraw/zinc/36/59/53/333365953.db2.gz CCBFSYBYQRLRQI-BXUZGUMPSA-N 1 2 257.337 2.031 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000235099399 333365954 /nfs/dbraw/zinc/36/59/54/333365954.db2.gz CCBFSYBYQRLRQI-BXUZGUMPSA-N 1 2 257.337 2.031 20 30 CEEDLO CC1(C#N)CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000542798369 333841424 /nfs/dbraw/zinc/84/14/24/333841424.db2.gz JUECAZJQZCIAHM-UHFFFAOYSA-N 1 2 267.336 2.172 20 30 CEEDLO C=CCN(CC=C)C(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000072674175 333950240 /nfs/dbraw/zinc/95/02/40/333950240.db2.gz ZTDVXQHAMYPYKH-UHFFFAOYSA-N 1 2 297.358 2.452 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC#N ZINC000134642580 334098542 /nfs/dbraw/zinc/09/85/42/334098542.db2.gz QHQPHPOHYJMTRM-VXGBXAGGSA-N 1 2 267.373 2.278 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC#N ZINC000134642580 334098543 /nfs/dbraw/zinc/09/85/43/334098543.db2.gz QHQPHPOHYJMTRM-VXGBXAGGSA-N 1 2 267.373 2.278 20 30 CEEDLO COc1cc2c(cc1C[NH2+]C[C@@H](C)C#N)O[C@@H](C)C2 ZINC000134865084 334106401 /nfs/dbraw/zinc/10/64/01/334106401.db2.gz MHBHJROOJVKRGU-QWRGUYRKSA-N 1 2 260.337 2.268 20 30 CEEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547989308 334133787 /nfs/dbraw/zinc/13/37/87/334133787.db2.gz GUWRVHWRABBQIT-ZDUSSCGKSA-N 1 2 297.358 2.193 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000550127717 334213968 /nfs/dbraw/zinc/21/39/68/334213968.db2.gz IJYCFZGDFSTPOH-CQSZACIVSA-N 1 2 272.392 2.381 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000550127717 334213969 /nfs/dbraw/zinc/21/39/69/334213969.db2.gz IJYCFZGDFSTPOH-CQSZACIVSA-N 1 2 272.392 2.381 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2o1 ZINC000564394248 334341515 /nfs/dbraw/zinc/34/15/15/334341515.db2.gz GIDPLWIBYUAYGY-OAHLLOKOSA-N 1 2 271.320 2.006 20 30 CEEDLO N#CCC[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000579584312 335812914 /nfs/dbraw/zinc/81/29/14/335812914.db2.gz VWHRQUAVUBYQSF-NSHDSACASA-N 1 2 297.280 2.314 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCOC2)O1 ZINC000428969303 500938712 /nfs/dbraw/zinc/93/87/12/500938712.db2.gz RNIVWPRIZRBWSY-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCOC2)O1 ZINC000428969303 500938719 /nfs/dbraw/zinc/93/87/19/500938719.db2.gz RNIVWPRIZRBWSY-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000352544695 533792552 /nfs/dbraw/zinc/79/25/52/533792552.db2.gz CLKVALWPDCQZGT-JTQLQIEISA-N 1 2 263.297 2.337 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000352544695 533792557 /nfs/dbraw/zinc/79/25/57/533792557.db2.gz CLKVALWPDCQZGT-JTQLQIEISA-N 1 2 263.297 2.337 20 30 CEEDLO C[C@@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000329134565 533828930 /nfs/dbraw/zinc/82/89/30/533828930.db2.gz ZQVMEHQDQRVQJD-UPJWGTAASA-N 1 2 277.368 2.217 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000338198457 518185732 /nfs/dbraw/zinc/18/57/32/518185732.db2.gz UMYFGLRFIBBDBU-LBPRGKRZSA-N 1 2 282.347 2.129 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cccnc2)n1 ZINC000279676725 518344570 /nfs/dbraw/zinc/34/45/70/518344570.db2.gz GCSPSFKXINRHIO-AWEZNQCLSA-N 1 2 268.364 2.494 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2cccnc2)n1 ZINC000279676725 518344578 /nfs/dbraw/zinc/34/45/78/518344578.db2.gz GCSPSFKXINRHIO-AWEZNQCLSA-N 1 2 268.364 2.494 20 30 CEEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(CC#N)cc1)C2 ZINC000366994511 534505530 /nfs/dbraw/zinc/50/55/30/534505530.db2.gz PWCJWMMBVOZUCP-HNNXBMFYSA-N 1 2 294.358 2.002 20 30 CEEDLO Cc1nnc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)[nH]1 ZINC000411139674 534534662 /nfs/dbraw/zinc/53/46/62/534534662.db2.gz YPOPXETWNUDMML-SNVBAGLBSA-N 1 2 255.325 2.178 20 30 CEEDLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)[nH]1 ZINC000411139674 534534668 /nfs/dbraw/zinc/53/46/68/534534668.db2.gz YPOPXETWNUDMML-SNVBAGLBSA-N 1 2 255.325 2.178 20 30 CEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000191458387 534584247 /nfs/dbraw/zinc/58/42/47/534584247.db2.gz NJPFKDKRSRQVGT-UHFFFAOYSA-N 1 2 299.418 2.472 20 30 CEEDLO C=CCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000264009058 534627505 /nfs/dbraw/zinc/62/75/05/534627505.db2.gz UUVMZWRALZFZEQ-UHFFFAOYSA-N 1 2 287.407 2.339 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2n1C ZINC000336570225 534649257 /nfs/dbraw/zinc/64/92/57/534649257.db2.gz IGVYVNJFIPGJBP-JTQLQIEISA-N 1 2 270.336 2.113 20 30 CEEDLO N#CCc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000336443964 534716058 /nfs/dbraw/zinc/71/60/58/534716058.db2.gz VGYQRABLPSIQOJ-CQSZACIVSA-N 1 2 280.331 2.453 20 30 CEEDLO N#Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccn1 ZINC000068765445 526550206 /nfs/dbraw/zinc/55/02/06/526550206.db2.gz IWXCEJWJZMEJJG-UHFFFAOYSA-N 1 2 278.359 2.275 20 30 CEEDLO C=C(C)COCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000354952514 526652932 /nfs/dbraw/zinc/65/29/32/526652932.db2.gz PYOMBCZJJRIETR-UHFFFAOYSA-N 1 2 299.374 2.254 20 30 CEEDLO C=CCOCCC[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000347970822 526756241 /nfs/dbraw/zinc/75/62/41/526756241.db2.gz WYQGDVNQDPUYMM-LBPRGKRZSA-N 1 2 251.330 2.108 20 30 CEEDLO C=CCOCCC[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000347970822 526756245 /nfs/dbraw/zinc/75/62/45/526756245.db2.gz WYQGDVNQDPUYMM-LBPRGKRZSA-N 1 2 251.330 2.108 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000352535116 527012386 /nfs/dbraw/zinc/01/23/86/527012386.db2.gz MUGVFNWVAUMODF-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000352535116 527012391 /nfs/dbraw/zinc/01/23/91/527012391.db2.gz MUGVFNWVAUMODF-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000352544670 527014220 /nfs/dbraw/zinc/01/42/20/527014220.db2.gz CGFHCRUAGNISJR-OAHLLOKOSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000352544670 527014223 /nfs/dbraw/zinc/01/42/23/527014223.db2.gz CGFHCRUAGNISJR-OAHLLOKOSA-N 1 2 294.439 2.348 20 30 CEEDLO CC1(C)C[C@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329993985 527756452 /nfs/dbraw/zinc/75/64/52/527756452.db2.gz LVRVUJVIYJTGBN-LBPRGKRZSA-N 1 2 272.352 2.384 20 30 CEEDLO CCN(CCC#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352747374 528367421 /nfs/dbraw/zinc/36/74/21/528367421.db2.gz CCMILRDJGPYHHU-UHFFFAOYSA-N 1 2 298.350 2.094 20 30 CEEDLO COCCON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000748791667 574440870 /nfs/dbraw/zinc/44/08/70/574440870.db2.gz OEIYNDJYXNXGIR-UHFFFAOYSA-N 1 2 291.395 2.372 20 30 CEEDLO C#CC[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000728933751 574473938 /nfs/dbraw/zinc/47/39/38/574473938.db2.gz ZLMRDNLPRMPNQQ-LBPRGKRZSA-N 1 2 264.319 2.277 20 30 CEEDLO C#CCN1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000728933751 574473939 /nfs/dbraw/zinc/47/39/39/574473939.db2.gz ZLMRDNLPRMPNQQ-LBPRGKRZSA-N 1 2 264.319 2.277 20 30 CEEDLO Oc1ccccc1/C=[NH+]\C[C@H](O)Cc1ccccc1 ZINC000729148640 574480705 /nfs/dbraw/zinc/48/07/05/574480705.db2.gz CUGJBAZWPLILLH-QJISPJEISA-N 1 2 255.317 2.415 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ccccc2n1 ZINC000730098193 574501670 /nfs/dbraw/zinc/50/16/70/574501670.db2.gz YXNGXADDDQEQGZ-HNNXBMFYSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ccccc2n1 ZINC000730098193 574501671 /nfs/dbraw/zinc/50/16/71/574501671.db2.gz YXNGXADDDQEQGZ-HNNXBMFYSA-N 1 2 279.343 2.271 20 30 CEEDLO Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000746663187 574509376 /nfs/dbraw/zinc/50/93/76/574509376.db2.gz OPUVUMOPXKIYLN-IINYFYTJSA-N 1 2 250.317 2.259 20 30 CEEDLO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000746663187 574509378 /nfs/dbraw/zinc/50/93/78/574509378.db2.gz OPUVUMOPXKIYLN-IINYFYTJSA-N 1 2 250.317 2.259 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2n1CC ZINC000730273881 574513026 /nfs/dbraw/zinc/51/30/26/574513026.db2.gz CBIQSVRIIMOYNV-HNNXBMFYSA-N 1 2 296.374 2.092 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2n1CC ZINC000730273881 574513027 /nfs/dbraw/zinc/51/30/27/574513027.db2.gz CBIQSVRIIMOYNV-HNNXBMFYSA-N 1 2 296.374 2.092 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752090923 575305177 /nfs/dbraw/zinc/30/51/77/575305177.db2.gz DXBLABMIUKMWTD-OLZOCXBDSA-N 1 2 258.793 2.460 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752090923 575305178 /nfs/dbraw/zinc/30/51/78/575305178.db2.gz DXBLABMIUKMWTD-OLZOCXBDSA-N 1 2 258.793 2.460 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000732052348 574611127 /nfs/dbraw/zinc/61/11/27/574611127.db2.gz JXULQCHNUKFOPP-INIZCTEOSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000732052348 574611128 /nfs/dbraw/zinc/61/11/28/574611128.db2.gz JXULQCHNUKFOPP-INIZCTEOSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000732059829 574611648 /nfs/dbraw/zinc/61/16/48/574611648.db2.gz GEHGDPKGVZOVBN-AWEZNQCLSA-N 1 2 297.358 2.426 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000732059829 574611650 /nfs/dbraw/zinc/61/16/50/574611650.db2.gz GEHGDPKGVZOVBN-AWEZNQCLSA-N 1 2 297.358 2.426 20 30 CEEDLO C#Cc1ccc(C(=O)OCc2[nH+]cc(C)c(OC)c2C)cn1 ZINC000736817023 574797730 /nfs/dbraw/zinc/79/77/30/574797730.db2.gz FBTULQQGRPXFLP-UHFFFAOYSA-N 1 2 296.326 2.440 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCCCC[C@@H]2C)c1=S ZINC000738224141 574854429 /nfs/dbraw/zinc/85/44/29/574854429.db2.gz LLRBDJRIUAVQLO-NSHDSACASA-N 1 2 267.402 2.217 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCCCC[C@@H]2C)c1=S ZINC000738224141 574854431 /nfs/dbraw/zinc/85/44/31/574854431.db2.gz LLRBDJRIUAVQLO-NSHDSACASA-N 1 2 267.402 2.217 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000742075534 575006317 /nfs/dbraw/zinc/00/63/17/575006317.db2.gz ZYCHDXZCBJYQSS-ZDUSSCGKSA-N 1 2 290.794 2.221 20 30 CEEDLO C#CCN(CC#CC)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000744409662 575120826 /nfs/dbraw/zinc/12/08/26/575120826.db2.gz BZPRTFOTWHNHKE-UHFFFAOYSA-N 1 2 271.751 2.446 20 30 CEEDLO COC(=O)[C@@](C)([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000746474618 575156912 /nfs/dbraw/zinc/15/69/12/575156912.db2.gz ILEHKTFNSPLOSI-INIZCTEOSA-N 1 2 288.347 2.020 20 30 CEEDLO COC(=O)c1ccc(C=NNc2cc[nH+]c3ccccc23)[nH]1 ZINC000747631271 575172715 /nfs/dbraw/zinc/17/27/15/575172715.db2.gz GXXKTPLJRODJTO-UHFFFAOYSA-N 1 2 294.314 2.217 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2sccc2C2CC2)CC1 ZINC000749655269 575228752 /nfs/dbraw/zinc/22/87/52/575228752.db2.gz QUBFFSLNFZMCCB-UHFFFAOYSA-N 1 2 288.416 2.407 20 30 CEEDLO COC1CCC(C/[NH+]=C/c2c(CO)cnc(C)c2O)CC1 ZINC000749930755 575240229 /nfs/dbraw/zinc/24/02/29/575240229.db2.gz MXLVKWDEQOWIEJ-RQZCQDPDSA-N 1 2 292.379 2.212 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000753106032 575319607 /nfs/dbraw/zinc/31/96/07/575319607.db2.gz GCYYYZNIFNHQPW-CQSZACIVSA-N 1 2 282.347 2.083 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000951704176 612991140 /nfs/dbraw/zinc/99/11/40/612991140.db2.gz GXBNNODQQYVOIY-RHSMWYFYSA-N 1 2 274.408 2.123 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)oc2C)C1 ZINC000949661226 612991670 /nfs/dbraw/zinc/99/16/70/612991670.db2.gz DYPNCVLQDAQXNA-UHFFFAOYSA-N 1 2 274.364 2.066 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2CC)C1 ZINC000951558472 612992353 /nfs/dbraw/zinc/99/23/53/612992353.db2.gz YTXGYGQMECGUCH-UHFFFAOYSA-N 1 2 284.403 2.419 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000981147672 613157609 /nfs/dbraw/zinc/15/76/09/613157609.db2.gz XYOUZNINYKYIQN-KBPBESRZSA-N 1 2 286.375 2.184 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000981147672 613157610 /nfs/dbraw/zinc/15/76/10/613157610.db2.gz XYOUZNINYKYIQN-KBPBESRZSA-N 1 2 286.375 2.184 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC000950486777 613294703 /nfs/dbraw/zinc/29/47/03/613294703.db2.gz LWOOIGWDAYDIRG-HZPDHXFCSA-N 1 2 294.439 2.156 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000950912016 613295107 /nfs/dbraw/zinc/29/51/07/613295107.db2.gz OCUZIJUGYVWUCD-CZUORRHYSA-N 1 2 262.397 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC000950486776 613295454 /nfs/dbraw/zinc/29/54/54/613295454.db2.gz LWOOIGWDAYDIRG-HOTGVXAUSA-N 1 2 294.439 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285.391 2.415 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)nc1 ZINC000890791972 622984548 /nfs/dbraw/zinc/98/45/48/622984548.db2.gz DNNUYQXKRGQBJK-AWEZNQCLSA-N 1 2 285.391 2.415 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001024586264 625684968 /nfs/dbraw/zinc/68/49/68/625684968.db2.gz MPUOZYQADMFMMQ-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001024586264 625684971 /nfs/dbraw/zinc/68/49/71/625684971.db2.gz MPUOZYQADMFMMQ-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776080 624003533 /nfs/dbraw/zinc/00/35/33/624003533.db2.gz SWBBDOAAZUAQTD-WDEREUQCSA-N 1 2 279.409 2.355 20 30 CEEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776080 624003540 /nfs/dbraw/zinc/00/35/40/624003540.db2.gz SWBBDOAAZUAQTD-WDEREUQCSA-N 1 2 279.409 2.355 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccoc1)C1CC1)C1CC1 ZINC000934004743 624158730 /nfs/dbraw/zinc/15/87/30/624158730.db2.gz VEEISKVVQPZIRH-MRXNPFEDSA-N 1 2 287.363 2.052 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccoc1)C1CC1)C1CC1 ZINC000934004743 624158732 /nfs/dbraw/zinc/15/87/32/624158732.db2.gz VEEISKVVQPZIRH-MRXNPFEDSA-N 1 2 287.363 2.052 20 30 CEEDLO C#CCC1(C(=O)NCc2c[nH+]cn2C)CCCCC1 ZINC000291257104 624214807 /nfs/dbraw/zinc/21/48/07/624214807.db2.gz PGDZHKUUIAURIN-UHFFFAOYSA-N 1 2 259.353 2.010 20 30 CEEDLO COc1cnc([C@H]2CCC[N@@H+]2CCC(C)(C)C#N)[nH]c1=O ZINC000934280188 624384448 /nfs/dbraw/zinc/38/44/48/624384448.db2.gz UBAOGRWURHPQDF-LLVKDONJSA-N 1 2 290.367 2.268 20 30 CEEDLO COc1cnc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)[nH]c1=O ZINC000934280188 624384452 /nfs/dbraw/zinc/38/44/52/624384452.db2.gz UBAOGRWURHPQDF-LLVKDONJSA-N 1 2 290.367 2.268 20 30 CEEDLO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000052162590 624809869 /nfs/dbraw/zinc/80/98/69/624809869.db2.gz ULSGKWWOJGXWLE-NSHDSACASA-N 1 2 264.756 2.082 20 30 CEEDLO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000052162590 624809881 /nfs/dbraw/zinc/80/98/81/624809881.db2.gz ULSGKWWOJGXWLE-NSHDSACASA-N 1 2 264.756 2.082 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820646730 634486580 /nfs/dbraw/zinc/48/65/80/634486580.db2.gz IZKPRVRHSQGAKL-ZNMIVQPWSA-N 1 2 288.395 2.278 20 30 CEEDLO Cn1nc2c(c1CNc1[nH]c3ccc(C#N)cc3[nH+]1)CCC2 ZINC000902156992 634502627 /nfs/dbraw/zinc/50/26/27/634502627.db2.gz KZPUSSQEOZVMBU-UHFFFAOYSA-N 1 2 292.346 2.269 20 30 CEEDLO CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(C#N)c1O ZINC000926832161 627716244 /nfs/dbraw/zinc/71/62/44/627716244.db2.gz HBZWZDBKXFQHEK-JKOKRWQUSA-N 1 2 260.337 2.075 20 30 CEEDLO Nc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000821023142 634606868 /nfs/dbraw/zinc/60/68/68/634606868.db2.gz XXYOHLSHHMHXFI-XFSBKJJWSA-N 1 2 269.260 2.468 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000745084827 627953421 /nfs/dbraw/zinc/95/34/21/627953421.db2.gz JMUBYEJZAIUBKF-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000745084827 627953423 /nfs/dbraw/zinc/95/34/23/627953423.db2.gz JMUBYEJZAIUBKF-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO CC(C)C[C@@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000177459977 627989827 /nfs/dbraw/zinc/98/98/27/627989827.db2.gz UEYDMWBYOPOISY-CYBMUJFWSA-N 1 2 291.395 2.217 20 30 CEEDLO NC(Cc1ccccc1)=[NH+]OCCO[C@H]1CCCCO1 ZINC000192837615 628453052 /nfs/dbraw/zinc/45/30/52/628453052.db2.gz OCHWLCORSSMGSU-HNNXBMFYSA-N 1 2 278.352 2.061 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000893545967 628725728 /nfs/dbraw/zinc/72/57/28/628725728.db2.gz ZESCXJTVSIXTME-SECBINFHSA-N 1 2 286.301 2.416 20 30 CEEDLO COc1ccc2[nH+]ccc(NCC3(C#N)CC3)c2c1 ZINC000893654281 628894910 /nfs/dbraw/zinc/89/49/10/628894910.db2.gz JAQWTDHCHWBQKZ-UHFFFAOYSA-N 1 2 253.305 2.381 20 30 CEEDLO C#CCC[C@@H](O)CNc1ccc2ccc(OC)cc2[nH+]1 ZINC000893674049 628909810 /nfs/dbraw/zinc/90/98/10/628909810.db2.gz VJNIXJZEUSBQBA-CYBMUJFWSA-N 1 2 270.332 2.430 20 30 CEEDLO C[C@@H](CC#N)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990563 629073294 /nfs/dbraw/zinc/07/32/94/629073294.db2.gz HVVDPENVRANKMQ-DZGCQCFKSA-N 1 2 282.347 2.290 20 30 CEEDLO CCc1[nH]c(C[NH+]2CCC(C#N)CC2)cc1C(=O)OC ZINC000893984240 629077293 /nfs/dbraw/zinc/07/72/93/629077293.db2.gz MBUKQVATUFIJTO-UHFFFAOYSA-N 1 2 275.352 2.099 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CC2(CCOCC2)O1 ZINC000894123600 629149420 /nfs/dbraw/zinc/14/94/20/629149420.db2.gz BROFFUMAQBSCMW-GFCCVEGCSA-N 1 2 292.404 2.390 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CC2(CCOCC2)O1 ZINC000894123600 629149423 /nfs/dbraw/zinc/14/94/23/629149423.db2.gz BROFFUMAQBSCMW-GFCCVEGCSA-N 1 2 292.404 2.390 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CC2)c(F)c1 ZINC000894203169 629207030 /nfs/dbraw/zinc/20/70/30/629207030.db2.gz DDSOIDLFQLZSIR-UHFFFAOYSA-N 1 2 262.284 2.006 20 30 CEEDLO CC(C)C[C@@H](C(=O)N1CCC[C@H](C#N)C1)n1cc[nH+]c1 ZINC000928213872 629329309 /nfs/dbraw/zinc/32/93/09/629329309.db2.gz AXJOLIOGGOFUAH-KGLIPLIRSA-N 1 2 274.368 2.232 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001006970179 629403452 /nfs/dbraw/zinc/40/34/52/629403452.db2.gz MLDKAYQIICPCOH-ZDUSSCGKSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001006970179 629403454 /nfs/dbraw/zinc/40/34/54/629403454.db2.gz MLDKAYQIICPCOH-ZDUSSCGKSA-N 1 2 268.788 2.286 20 30 CEEDLO N#Cc1cc(C[N@@H+](CCCO)Cc2ccccn2)cs1 ZINC000894464713 629475422 /nfs/dbraw/zinc/47/54/22/629475422.db2.gz MSXXBWFWQIRFNG-UHFFFAOYSA-N 1 2 287.388 2.399 20 30 CEEDLO N#Cc1cc(C[N@H+](CCCO)Cc2ccccn2)cs1 ZINC000894464713 629475427 /nfs/dbraw/zinc/47/54/27/629475427.db2.gz MSXXBWFWQIRFNG-UHFFFAOYSA-N 1 2 287.388 2.399 20 30 CEEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(Cl)cc2)cn1 ZINC000795203163 629477484 /nfs/dbraw/zinc/47/74/84/629477484.db2.gz LEAYIDRVUPZQBC-UHFFFAOYSA-N 1 2 276.727 2.276 20 30 CEEDLO C#C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000894553928 629530846 /nfs/dbraw/zinc/53/08/46/629530846.db2.gz URIRCCGDJYWVOL-ZIAGYGMSSA-N 1 2 297.807 2.181 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H](C)CC1)C(=O)OC ZINC000894641641 629570822 /nfs/dbraw/zinc/57/08/22/629570822.db2.gz ITAMQWQRJCOFAQ-MJBXVCDLSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC000796015074 629741778 /nfs/dbraw/zinc/74/17/78/629741778.db2.gz LNYQVXKXPYPTJU-CQSZACIVSA-N 1 2 269.385 2.433 20 30 CEEDLO CC#CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895096022 629891117 /nfs/dbraw/zinc/89/11/17/629891117.db2.gz KAPUDGAKNCQLHH-NSHDSACASA-N 1 2 271.719 2.049 20 30 CEEDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CCCN1O ZINC000895166552 629991234 /nfs/dbraw/zinc/99/12/34/629991234.db2.gz RQOHTNHRMKFWTH-JTQLQIEISA-N 1 2 289.162 2.463 20 30 CEEDLO COC(=O)c1c[nH]c(C[NH+]2CC(CC#N)C2)c1C1CC1 ZINC000895345001 630126356 /nfs/dbraw/zinc/12/63/56/630126356.db2.gz WEUQEKVJXJNWTH-UHFFFAOYSA-N 1 2 273.336 2.024 20 30 CEEDLO C#CC[N@@H+](Cc1sccc1OC)C1CSC1 ZINC000895814134 630359398 /nfs/dbraw/zinc/35/93/98/630359398.db2.gz NBVAFFXTFSQEJU-UHFFFAOYSA-N 1 2 253.392 2.307 20 30 CEEDLO C#CC[N@H+](Cc1sccc1OC)C1CSC1 ZINC000895814134 630359403 /nfs/dbraw/zinc/35/94/03/630359403.db2.gz NBVAFFXTFSQEJU-UHFFFAOYSA-N 1 2 253.392 2.307 20 30 CEEDLO C#CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)C ZINC000928622794 630612898 /nfs/dbraw/zinc/61/28/98/630612898.db2.gz AHAOIURVYCUONH-CQSZACIVSA-N 1 2 261.369 2.341 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000798036434 630803553 /nfs/dbraw/zinc/80/35/53/630803553.db2.gz XLOMKZWGUZELJL-DOMZBBRYSA-N 1 2 285.347 2.045 20 30 CEEDLO C#Cc1cncc(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000798289259 630851793 /nfs/dbraw/zinc/85/17/93/630851793.db2.gz KNJWJFQLAKVUPO-UHFFFAOYSA-N 1 2 294.358 2.080 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000798519597 630884948 /nfs/dbraw/zinc/88/49/48/630884948.db2.gz NNUQAJUYQIPXKB-MRXNPFEDSA-N 1 2 296.374 2.329 20 30 CEEDLO C#C[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000798542284 630888958 /nfs/dbraw/zinc/88/89/58/630888958.db2.gz NLKIMSZOEZGXPN-HNNXBMFYSA-N 1 2 298.390 2.142 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)C1=O ZINC000798957109 630957157 /nfs/dbraw/zinc/95/71/57/630957157.db2.gz USDXDYFZBKIZPW-ZDUSSCGKSA-N 1 2 293.798 2.262 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)C1=O ZINC000798957109 630957158 /nfs/dbraw/zinc/95/71/58/630957158.db2.gz USDXDYFZBKIZPW-ZDUSSCGKSA-N 1 2 293.798 2.262 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)C1=O ZINC000798956550 630957223 /nfs/dbraw/zinc/95/72/23/630957223.db2.gz CQDSAGANABDTGO-ZDUSSCGKSA-N 1 2 293.798 2.262 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)C1=O ZINC000798956550 630957227 /nfs/dbraw/zinc/95/72/27/630957227.db2.gz CQDSAGANABDTGO-ZDUSSCGKSA-N 1 2 293.798 2.262 20 30 CEEDLO CC(=NNCC(C)(C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000799114371 630979637 /nfs/dbraw/zinc/97/96/37/630979637.db2.gz ANMMOYHFBQRIJV-UHFFFAOYSA-N 1 2 286.379 2.204 20 30 CEEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000801564320 631289715 /nfs/dbraw/zinc/28/97/15/631289715.db2.gz YTQUIJSKHRFQQC-AWEZNQCLSA-N 1 2 296.317 2.293 20 30 CEEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000801564320 631289719 /nfs/dbraw/zinc/28/97/19/631289719.db2.gz YTQUIJSKHRFQQC-AWEZNQCLSA-N 1 2 296.317 2.293 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822096409 634849333 /nfs/dbraw/zinc/84/93/33/634849333.db2.gz ZJQGONWKHRQIPQ-VXGBXAGGSA-N 1 2 281.315 2.164 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822096409 634849337 /nfs/dbraw/zinc/84/93/37/634849337.db2.gz ZJQGONWKHRQIPQ-VXGBXAGGSA-N 1 2 281.315 2.164 20 30 CEEDLO C=CC[N@H+](CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1)C1CC1 ZINC000840041344 631666875 /nfs/dbraw/zinc/66/68/75/631666875.db2.gz ICEOBAFIGKFEHY-LSDHHAIUSA-N 1 2 260.381 2.241 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1)C1CC1 ZINC000840041344 631666880 /nfs/dbraw/zinc/66/68/80/631666880.db2.gz ICEOBAFIGKFEHY-LSDHHAIUSA-N 1 2 260.381 2.241 20 30 CEEDLO C[N@H+](CC(F)F)C1CCN(c2ccnc(C#N)c2)CC1 ZINC000804536654 631700053 /nfs/dbraw/zinc/70/00/53/631700053.db2.gz YCGWAVNZTBPNFC-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C[N@@H+](CC(F)F)C1CCN(c2ccnc(C#N)c2)CC1 ZINC000804536654 631700058 /nfs/dbraw/zinc/70/00/58/631700058.db2.gz YCGWAVNZTBPNFC-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)NCC2CCC(C#N)CC2)c[nH+]1 ZINC000897659380 631856645 /nfs/dbraw/zinc/85/66/45/631856645.db2.gz FCFGCUFWEBHLEB-UHFFFAOYSA-N 1 2 288.395 2.373 20 30 CEEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000809543980 632096348 /nfs/dbraw/zinc/09/63/48/632096348.db2.gz YXXUHMDTTSSIAH-UHFFFAOYSA-N 1 2 297.402 2.001 20 30 CEEDLO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898191515 632105982 /nfs/dbraw/zinc/10/59/82/632105982.db2.gz CUTNISUUXBFFDL-HZPDHXFCSA-N 1 2 292.354 2.274 20 30 CEEDLO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898191515 632105987 /nfs/dbraw/zinc/10/59/87/632105987.db2.gz CUTNISUUXBFFDL-HZPDHXFCSA-N 1 2 292.354 2.274 20 30 CEEDLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000810146903 632187684 /nfs/dbraw/zinc/18/76/84/632187684.db2.gz YPCDJTPSFUGPED-LBPRGKRZSA-N 1 2 285.376 2.280 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000989607221 632211799 /nfs/dbraw/zinc/21/17/99/632211799.db2.gz FZHKPPAIEKHKOD-UHFFFAOYSA-N 1 2 282.796 2.183 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000989607221 632211802 /nfs/dbraw/zinc/21/18/02/632211802.db2.gz FZHKPPAIEKHKOD-UHFFFAOYSA-N 1 2 282.796 2.183 20 30 CEEDLO C#CCCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810541606 632225146 /nfs/dbraw/zinc/22/51/46/632225146.db2.gz JDPZITNGCXJELC-UHFFFAOYSA-N 1 2 282.343 2.431 20 30 CEEDLO C#CCON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812236179 632497274 /nfs/dbraw/zinc/49/72/74/632497274.db2.gz IYVFQZMESGZGJG-UHFFFAOYSA-N 1 2 271.364 2.359 20 30 CEEDLO C#CCOc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000898903898 632640070 /nfs/dbraw/zinc/64/00/70/632640070.db2.gz NLICKQIAYVPRKL-UHFFFAOYSA-N 1 2 297.358 2.060 20 30 CEEDLO CC1(C)CC[N@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000899231486 632746072 /nfs/dbraw/zinc/74/60/72/632746072.db2.gz FBFKQPQGTJNKJT-MHWRWJLKSA-N 1 2 291.351 2.451 20 30 CEEDLO CC1(C)CC[N@@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000899231486 632746079 /nfs/dbraw/zinc/74/60/79/632746079.db2.gz FBFKQPQGTJNKJT-MHWRWJLKSA-N 1 2 291.351 2.451 20 30 CEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccnn1CC1CCC1 ZINC000899416760 632846809 /nfs/dbraw/zinc/84/68/09/632846809.db2.gz WTGJRIBZVLNSFC-SNAWJCMRSA-N 1 2 256.309 2.302 20 30 CEEDLO Cc1ccc(NC(=O)N(C)CC(C)(C)C#N)c(N(C)C)[nH+]1 ZINC000814678270 632878298 /nfs/dbraw/zinc/87/82/98/632878298.db2.gz SHSJQZGQBZWZCY-UHFFFAOYSA-N 1 2 289.383 2.470 20 30 CEEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccccc1Cl ZINC000814691159 632881283 /nfs/dbraw/zinc/88/12/83/632881283.db2.gz PDDZFZUMBQHOIV-UHFFFAOYSA-N 1 2 263.732 2.410 20 30 CEEDLO Cc1c(Cl)cccc1N[NH+]=Cc1cnn(C)c1N ZINC000814802186 632900040 /nfs/dbraw/zinc/90/00/40/632900040.db2.gz VDLDNEWLZMSBKO-UHFFFAOYSA-N 1 2 263.732 2.410 20 30 CEEDLO CC(=[NH+]NC[C@H](C)O)c1cc(Cl)c(N)c(Cl)c1 ZINC000814961091 632941675 /nfs/dbraw/zinc/94/16/75/632941675.db2.gz DBBXCLVKLZROSJ-LURJTMIESA-N 1 2 276.167 2.270 20 30 CEEDLO C=C1C[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000899900080 633081636 /nfs/dbraw/zinc/08/16/36/633081636.db2.gz IBGRCRFIRWNKJD-RDJZCZTQSA-N 1 2 273.376 2.313 20 30 CEEDLO CC[C@H](C#N)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900472817 633725219 /nfs/dbraw/zinc/72/52/19/633725219.db2.gz YCJSXOSOCCWACO-CQSZACIVSA-N 1 2 297.362 2.027 20 30 CEEDLO C[C@H](CC(=O)N(O)Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC000901371409 634075716 /nfs/dbraw/zinc/07/57/16/634075716.db2.gz BFOGTTBGBGZCNX-LLVKDONJSA-N 1 2 277.299 2.391 20 30 CEEDLO CC(C)Oc1ccccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819411073 634173148 /nfs/dbraw/zinc/17/31/48/634173148.db2.gz FKNXVMLCSMGDHY-AWEZNQCLSA-N 1 2 291.395 2.092 20 30 CEEDLO CC(C)Oc1ccccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819411073 634173153 /nfs/dbraw/zinc/17/31/53/634173153.db2.gz FKNXVMLCSMGDHY-AWEZNQCLSA-N 1 2 291.395 2.092 20 30 CEEDLO C#C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C(C)C ZINC000822665947 634968116 /nfs/dbraw/zinc/96/81/16/634968116.db2.gz AIEXULJGEDVOCL-QWRGUYRKSA-N 1 2 287.285 2.151 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cccc(C#N)c1O ZINC000903301808 635048770 /nfs/dbraw/zinc/04/87/70/635048770.db2.gz UNDJLWRIGXPVRM-MISXGVKJSA-N 1 2 259.353 2.007 20 30 CEEDLO N#CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC000823852451 635290978 /nfs/dbraw/zinc/29/09/78/635290978.db2.gz SXLLFAWGMVZMJO-UHFFFAOYSA-N 1 2 268.320 2.377 20 30 CEEDLO C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCC1 ZINC000824325227 635405215 /nfs/dbraw/zinc/40/52/15/635405215.db2.gz IIBUPNUDXIRLSA-HUUCEWRRSA-N 1 2 285.391 2.318 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826695644 635817649 /nfs/dbraw/zinc/81/76/49/635817649.db2.gz ITXWLNHKXBRYLS-GDBMZVCRSA-N 1 2 271.364 2.229 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826695644 635817653 /nfs/dbraw/zinc/81/76/53/635817653.db2.gz ITXWLNHKXBRYLS-GDBMZVCRSA-N 1 2 271.364 2.229 20 30 CEEDLO C#CC[N@H+](CN1CC2(CCCC2)OC1=O)C(C)C ZINC000905748597 636409639 /nfs/dbraw/zinc/40/96/39/636409639.db2.gz KUKMWUGKXNWOSO-UHFFFAOYSA-N 1 2 250.342 2.053 20 30 CEEDLO C#CC[N@@H+](CN1CC2(CCCC2)OC1=O)C(C)C ZINC000905748597 636409643 /nfs/dbraw/zinc/40/96/43/636409643.db2.gz KUKMWUGKXNWOSO-UHFFFAOYSA-N 1 2 250.342 2.053 20 30 CEEDLO C#CC[N@H+](CN1C(=O)C[C@](C)(c2ccccc2)C1=O)C(C)C ZINC000905750171 636411033 /nfs/dbraw/zinc/41/10/33/636411033.db2.gz VBFBEAXJWRHTCJ-GOSISDBHSA-N 1 2 298.386 2.004 20 30 CEEDLO C#CC[N@@H+](CN1C(=O)C[C@](C)(c2ccccc2)C1=O)C(C)C ZINC000905750171 636411038 /nfs/dbraw/zinc/41/10/38/636411038.db2.gz VBFBEAXJWRHTCJ-GOSISDBHSA-N 1 2 298.386 2.004 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1ccnc(Cl)c1F ZINC000827826415 636435778 /nfs/dbraw/zinc/43/57/78/636435778.db2.gz FQQMONUSDCCGSI-UHFFFAOYSA-N 1 2 270.735 2.346 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1ccnc(Cl)c1F ZINC000827826415 636435784 /nfs/dbraw/zinc/43/57/84/636435784.db2.gz FQQMONUSDCCGSI-UHFFFAOYSA-N 1 2 270.735 2.346 20 30 CEEDLO N#CCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829135383 636783684 /nfs/dbraw/zinc/78/36/84/636783684.db2.gz BHPRWTCWHRBRQK-UHFFFAOYSA-N 1 2 250.733 2.182 20 30 CEEDLO N#CCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829135383 636783689 /nfs/dbraw/zinc/78/36/89/636783689.db2.gz BHPRWTCWHRBRQK-UHFFFAOYSA-N 1 2 250.733 2.182 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000832444736 637579274 /nfs/dbraw/zinc/57/92/74/637579274.db2.gz RWJIPFKGTLGNDK-CHWSQXEVSA-N 1 2 295.342 2.174 20 30 CEEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccn1 ZINC000911669706 638343669 /nfs/dbraw/zinc/34/36/69/638343669.db2.gz BMMZFZASKSTFPZ-UHFFFAOYSA-N 1 2 265.320 2.114 20 30 CEEDLO C[N@H+](CCOCC1CC1)Cc1cc(C#N)cnc1Cl ZINC000876785382 650430193 /nfs/dbraw/zinc/43/01/93/650430193.db2.gz WOXSKFUPQNNYBG-UHFFFAOYSA-N 1 2 279.771 2.465 20 30 CEEDLO C[N@@H+](CCOCC1CC1)Cc1cc(C#N)cnc1Cl ZINC000876785382 650430195 /nfs/dbraw/zinc/43/01/95/650430195.db2.gz WOXSKFUPQNNYBG-UHFFFAOYSA-N 1 2 279.771 2.465 20 30 CEEDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc(C)c1C#N ZINC000912583175 638734736 /nfs/dbraw/zinc/73/47/36/638734736.db2.gz CCUDAIPTCYGGEC-AWEZNQCLSA-N 1 2 280.331 2.246 20 30 CEEDLO CCCCc1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000172059264 639741832 /nfs/dbraw/zinc/74/18/32/639741832.db2.gz LDTNOLADLAGJGO-UHFFFAOYSA-N 1 2 274.324 2.249 20 30 CEEDLO CC(C)(CN=Nc1nncc2ccccc21)[NH+]1CCOCC1 ZINC000841603621 639791628 /nfs/dbraw/zinc/79/16/28/639791628.db2.gz MNQNYBLSESKIFF-UHFFFAOYSA-N 1 2 299.378 2.138 20 30 CEEDLO CNC(=S)N(C)N=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000841648137 639809745 /nfs/dbraw/zinc/80/97/45/639809745.db2.gz WPAASNSOPOBXLU-UHFFFAOYSA-N 1 2 289.408 2.228 20 30 CEEDLO Cc1nn(C)c(Cl)c1C[NH2+]CC1(C#N)CCC1 ZINC000841899645 639902397 /nfs/dbraw/zinc/90/23/97/639902397.db2.gz XNTWWPHDIMJPBE-UHFFFAOYSA-N 1 2 252.749 2.165 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3cnco3)CCC[C@H]12 ZINC000992013872 639946180 /nfs/dbraw/zinc/94/61/80/639946180.db2.gz QQNVYHUATSZMBT-JSGCOSHPSA-N 1 2 295.770 2.154 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3cnco3)CCC[C@H]12 ZINC000992013872 639946182 /nfs/dbraw/zinc/94/61/82/639946182.db2.gz QQNVYHUATSZMBT-JSGCOSHPSA-N 1 2 295.770 2.154 20 30 CEEDLO COCCCC[N@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000842171606 639971964 /nfs/dbraw/zinc/97/19/64/639971964.db2.gz OXYZPXFEBKCWRR-HNNXBMFYSA-N 1 2 290.363 2.131 20 30 CEEDLO COCCCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000842171606 639971966 /nfs/dbraw/zinc/97/19/66/639971966.db2.gz OXYZPXFEBKCWRR-HNNXBMFYSA-N 1 2 290.363 2.131 20 30 CEEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cncc(C#N)c1 ZINC000929799478 640272650 /nfs/dbraw/zinc/27/26/50/640272650.db2.gz XSGGYQQCRLJRAM-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cncc(C#N)c1 ZINC000929799478 640272657 /nfs/dbraw/zinc/27/26/57/640272657.db2.gz XSGGYQQCRLJRAM-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO C#CC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000843709056 640505072 /nfs/dbraw/zinc/50/50/72/640505072.db2.gz IOZFYRSIVGHMQZ-UHFFFAOYSA-N 1 2 293.370 2.417 20 30 CEEDLO COc1ccc(C#N)cc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282243 640943907 /nfs/dbraw/zinc/94/39/07/640943907.db2.gz MSUGJYYKQXQGRK-GFCCVEGCSA-N 1 2 299.330 2.458 20 30 CEEDLO C[C@@H](C#N)OCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919150540 641018460 /nfs/dbraw/zinc/01/84/60/641018460.db2.gz LOTRMMLFPNKWSL-ZDUSSCGKSA-N 1 2 255.321 2.403 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCCC(=O)OC)c(O)c1 ZINC000920944886 641213655 /nfs/dbraw/zinc/21/36/55/641213655.db2.gz UGOUWSARALADEN-XNTDXEJSSA-N 1 2 265.309 2.163 20 30 CEEDLO C=C[C@H](C)ONC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000846553315 641342227 /nfs/dbraw/zinc/34/22/27/641342227.db2.gz AJIGRJPVDMBRPU-GXTWGEPZSA-N 1 2 262.353 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287.407 2.039 20 30 CEEDLO Cc1[nH+]cc(C=NNCCc2ccccc2F)n1C ZINC000853318149 643738175 /nfs/dbraw/zinc/73/81/75/643738175.db2.gz OGYBCRKCITYVCC-UHFFFAOYSA-N 1 2 260.316 2.034 20 30 CEEDLO Cc1[nH+]cc(C=NN[C@@H]2CCc3c2cccc3F)n1C ZINC000853355590 643753876 /nfs/dbraw/zinc/75/38/76/643753876.db2.gz GOUADQHGPIFDDA-OAHLLOKOSA-N 1 2 272.327 2.479 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccncc3s2)C1 ZINC000923557599 643764368 /nfs/dbraw/zinc/76/43/68/643764368.db2.gz PXNCGOOUOFVFQI-ZDUSSCGKSA-N 1 2 299.399 2.124 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccncc3s2)C1 ZINC000923557599 643764371 /nfs/dbraw/zinc/76/43/71/643764371.db2.gz PXNCGOOUOFVFQI-ZDUSSCGKSA-N 1 2 299.399 2.124 20 30 CEEDLO N#Cc1sccc1C(=O)OCCCn1cc[nH+]c1 ZINC000923563533 643766928 /nfs/dbraw/zinc/76/69/28/643766928.db2.gz UYHKXTKCLDULBX-UHFFFAOYSA-N 1 2 261.306 2.063 20 30 CEEDLO C=CC[N@H+](Cn1c2ccccc2oc1=O)[C@H](C)COC ZINC000853532216 643803861 /nfs/dbraw/zinc/80/38/61/643803861.db2.gz AXRCUCIOUYSJCJ-GFCCVEGCSA-N 1 2 276.336 2.075 20 30 CEEDLO C=CC[N@@H+](Cn1c2ccccc2oc1=O)[C@H](C)COC ZINC000853532216 643803865 /nfs/dbraw/zinc/80/38/65/643803865.db2.gz AXRCUCIOUYSJCJ-GFCCVEGCSA-N 1 2 276.336 2.075 20 30 CEEDLO C=CC[N@@H+](CN1C[C@@H](CCC)CC1=O)[C@@H](C)COC ZINC000853535289 643804747 /nfs/dbraw/zinc/80/47/47/643804747.db2.gz SIPOPPOKKVZHGX-KBPBESRZSA-N 1 2 268.401 2.115 20 30 CEEDLO C=CC[N@H+](CN1C[C@@H](CCC)CC1=O)[C@@H](C)COC ZINC000853535289 643804752 /nfs/dbraw/zinc/80/47/52/643804752.db2.gz SIPOPPOKKVZHGX-KBPBESRZSA-N 1 2 268.401 2.115 20 30 CEEDLO C=CC[N@@H+](CN1CC(CC)(CC)OC1=O)[C@H](C)COC ZINC000853535580 643805625 /nfs/dbraw/zinc/80/56/25/643805625.db2.gz WOEHEYXSLBWROA-CYBMUJFWSA-N 1 2 284.400 2.478 20 30 CEEDLO C=CC[N@H+](CN1CC(CC)(CC)OC1=O)[C@H](C)COC ZINC000853535580 643805628 /nfs/dbraw/zinc/80/56/28/643805628.db2.gz WOEHEYXSLBWROA-CYBMUJFWSA-N 1 2 284.400 2.478 20 30 CEEDLO C=CC[N@@H+](CN1C[C@](C)(CC)CC1=O)[C@H](C)COC ZINC000853535436 643805889 /nfs/dbraw/zinc/80/58/89/643805889.db2.gz VNNJDPXVLAMSBJ-UKRRQHHQSA-N 1 2 268.401 2.115 20 30 CEEDLO C=CC[N@H+](CN1C[C@](C)(CC)CC1=O)[C@H](C)COC ZINC000853535436 643805895 /nfs/dbraw/zinc/80/58/95/643805895.db2.gz VNNJDPXVLAMSBJ-UKRRQHHQSA-N 1 2 268.401 2.115 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cn1nc(C(F)(F)F)cc1C ZINC000853620797 643835076 /nfs/dbraw/zinc/83/50/76/643835076.db2.gz FCMUFWRQEXHZHU-UHFFFAOYSA-N 1 2 289.301 2.140 20 30 CEEDLO C#CCC[N@H+](CCOC)Cn1nc(C(F)(F)F)cc1C ZINC000853620797 643835080 /nfs/dbraw/zinc/83/50/80/643835080.db2.gz FCMUFWRQEXHZHU-UHFFFAOYSA-N 1 2 289.301 2.140 20 30 CEEDLO C=CCC1(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000838285032 643896408 /nfs/dbraw/zinc/89/64/08/643896408.db2.gz RAIGFNFFELCLCJ-AWEZNQCLSA-N 1 2 281.396 2.387 20 30 CEEDLO C=CCC1(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000838285032 643896425 /nfs/dbraw/zinc/89/64/25/643896425.db2.gz RAIGFNFFELCLCJ-AWEZNQCLSA-N 1 2 281.396 2.387 20 30 CEEDLO C=C(Cl)CS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000853783246 643901194 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C[C@@H](C#N)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754371025 644362760 /nfs/dbraw/zinc/36/27/60/644362760.db2.gz HGDNBGLVAKRYLL-NHYWBVRUSA-N 1 2 289.335 2.252 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754371025 644362765 /nfs/dbraw/zinc/36/27/65/644362765.db2.gz HGDNBGLVAKRYLL-NHYWBVRUSA-N 1 2 289.335 2.252 20 30 CEEDLO Cc1[nH+]c[nH]c1CN=Nc1oc(C(C)(C)C)nc1C#N ZINC000755675412 644543043 /nfs/dbraw/zinc/54/30/43/644543043.db2.gz RGSAZGWPLJPNLZ-UHFFFAOYSA-N 1 2 272.312 2.321 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cc(-c2ccco2)on1)[C@@H]1CCCO1 ZINC000839563609 644750651 /nfs/dbraw/zinc/75/06/51/644750651.db2.gz JYCRCEDJHOLMAD-OLZOCXBDSA-N 1 2 272.304 2.205 20 30 CEEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(=O)c1C#N ZINC000758200429 644897690 /nfs/dbraw/zinc/89/76/90/644897690.db2.gz YQMNIYUGZMMVAL-MRXNPFEDSA-N 1 2 294.358 2.218 20 30 CEEDLO Cc1ccn(C[N@H+]2CCC[C@@H]2c2ccccn2)c(=O)c1C#N ZINC000758200429 644897693 /nfs/dbraw/zinc/89/76/93/644897693.db2.gz YQMNIYUGZMMVAL-MRXNPFEDSA-N 1 2 294.358 2.218 20 30 CEEDLO N#CC1(CC(=O)N[C@H]2CCn3c[nH+]cc32)CCCCC1 ZINC000857975565 645028172 /nfs/dbraw/zinc/02/81/72/645028172.db2.gz PEURYOGPZMLLQG-LBPRGKRZSA-N 1 2 272.352 2.308 20 30 CEEDLO CCc1ccc(C#CC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857979730 645031223 /nfs/dbraw/zinc/03/12/23/645031223.db2.gz ZWZSRQLYRPVFLB-HNNXBMFYSA-N 1 2 279.343 2.058 20 30 CEEDLO C#CCOc1ccccc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000761990386 645346965 /nfs/dbraw/zinc/34/69/65/645346965.db2.gz WFGABDZEKMDCNR-UHFFFAOYSA-N 1 2 294.314 2.188 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)C1CC1 ZINC000763949682 645593361 /nfs/dbraw/zinc/59/33/61/645593361.db2.gz GPHFHDBLZBMELW-HIFRSBDPSA-N 1 2 262.397 2.121 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)C1CC1 ZINC000763949682 645593364 /nfs/dbraw/zinc/59/33/64/645593364.db2.gz GPHFHDBLZBMELW-HIFRSBDPSA-N 1 2 262.397 2.121 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C1CC1 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Cc1[nH]c(CN2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]c1C ZINC000862253312 646382890 /nfs/dbraw/zinc/38/28/90/646382890.db2.gz LKOXSXOBMPOHSM-MRXNPFEDSA-N 1 2 296.374 2.472 20 30 CEEDLO CC[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000119186938 646601297 /nfs/dbraw/zinc/60/12/97/646601297.db2.gz PBCHKOMRBKYANS-ZDUSSCGKSA-N 1 2 271.364 2.206 20 30 CEEDLO CC[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000119186938 646601302 /nfs/dbraw/zinc/60/13/02/646601302.db2.gz PBCHKOMRBKYANS-ZDUSSCGKSA-N 1 2 271.364 2.206 20 30 CEEDLO C=C(C)C[N@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000773323783 646726738 /nfs/dbraw/zinc/72/67/38/646726738.db2.gz YZUYSZKCFCDVIW-UHFFFAOYSA-N 1 2 250.273 2.199 20 30 CEEDLO C=C(C)C[N@@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000773323783 646726741 /nfs/dbraw/zinc/72/67/41/646726741.db2.gz YZUYSZKCFCDVIW-UHFFFAOYSA-N 1 2 250.273 2.199 20 30 CEEDLO C=CC[C@@H](CO)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000774702171 646881371 /nfs/dbraw/zinc/88/13/71/646881371.db2.gz BBEJVWVMTATEAX-LLVKDONJSA-N 1 2 289.383 2.178 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000775340241 646942985 /nfs/dbraw/zinc/94/29/85/646942985.db2.gz GERXATOGYZOJSN-SJORKVTESA-N 1 2 281.359 2.143 20 30 CEEDLO CC[N@H+](CC(=O)OC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775590560 646970142 /nfs/dbraw/zinc/97/01/42/646970142.db2.gz AWLRNADSUJBBCD-UHFFFAOYSA-N 1 2 274.364 2.483 20 30 CEEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775590560 646970145 /nfs/dbraw/zinc/97/01/45/646970145.db2.gz AWLRNADSUJBBCD-UHFFFAOYSA-N 1 2 274.364 2.483 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)[C@@H]1CCCO1 ZINC000775796239 646994361 /nfs/dbraw/zinc/99/43/61/646994361.db2.gz UEQPCEATTYRODP-SJORKVTESA-N 1 2 299.349 2.282 20 30 CEEDLO CC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776605427 647077720 /nfs/dbraw/zinc/07/77/20/647077720.db2.gz DAPCRVKHGYXKIE-CHWSQXEVSA-N 1 2 266.385 2.339 20 30 CEEDLO CC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776605427 647077722 /nfs/dbraw/zinc/07/77/22/647077722.db2.gz DAPCRVKHGYXKIE-CHWSQXEVSA-N 1 2 266.385 2.339 20 30 CEEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(C#N)c1 ZINC000864984971 647147332 /nfs/dbraw/zinc/14/73/32/647147332.db2.gz DHNXVLTYFJCMKG-ZDUSSCGKSA-N 1 2 286.335 2.192 20 30 CEEDLO CCCNc1cc(NCCNc2ccc(C#N)cn2)nc[nH+]1 ZINC000865435119 647291288 /nfs/dbraw/zinc/29/12/88/647291288.db2.gz CIUWMARRFMOIFW-UHFFFAOYSA-N 1 2 297.366 2.089 20 30 CEEDLO CCCNc1cc(NCCNc2ccc(C#N)cn2)[nH+]cn1 ZINC000865435119 647291290 /nfs/dbraw/zinc/29/12/90/647291290.db2.gz CIUWMARRFMOIFW-UHFFFAOYSA-N 1 2 297.366 2.089 20 30 CEEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCOC ZINC000779147789 647291673 /nfs/dbraw/zinc/29/16/73/647291673.db2.gz LSDDBTXENBZEBB-UHFFFAOYSA-N 1 2 267.756 2.430 20 30 CEEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)CCOC ZINC000779147789 647291675 /nfs/dbraw/zinc/29/16/75/647291675.db2.gz LSDDBTXENBZEBB-UHFFFAOYSA-N 1 2 267.756 2.430 20 30 CEEDLO Cc1ccc2oc(=O)n(C[NH+]3CCC(C)(C#N)CC3)c2c1 ZINC000779880394 647368130 /nfs/dbraw/zinc/36/81/30/647368130.db2.gz ZVFKXDNWTOCFAA-UHFFFAOYSA-N 1 2 285.347 2.486 20 30 CEEDLO C=CCOCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000780793926 647471975 /nfs/dbraw/zinc/47/19/75/647471975.db2.gz YHUZWQJTIJTANW-UHFFFAOYSA-N 1 2 259.708 2.477 20 30 CEEDLO C=CCCN(CC[NH+]1CCOCC1)OCc1ccccc1 ZINC000782664152 647649645 /nfs/dbraw/zinc/64/96/45/647649645.db2.gz HFPGFPXBXGRKLR-UHFFFAOYSA-N 1 2 290.407 2.329 20 30 CEEDLO C[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C#N)c1O ZINC000866241926 647689517 /nfs/dbraw/zinc/68/95/17/647689517.db2.gz IBQJSZBLDJDVLG-WCQYABFASA-N 1 2 259.353 2.009 20 30 CEEDLO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866273780 647711102 /nfs/dbraw/zinc/71/11/02/647711102.db2.gz BKBCYHFNRYJHTN-FZMZJTMJSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cccc(C#N)c1O ZINC000866274804 647711937 /nfs/dbraw/zinc/71/19/37/647711937.db2.gz UCDFCCXXRKIDFM-CHWSQXEVSA-N 1 2 273.380 2.399 20 30 CEEDLO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(C#N)c1O ZINC000866280934 647715233 /nfs/dbraw/zinc/71/52/33/647715233.db2.gz FWEYGYXNZAZIOK-IAQYHMDHSA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc(C#N)c1O ZINC000866284028 647715977 /nfs/dbraw/zinc/71/59/77/647715977.db2.gz IIAXFIDVRBNABL-WQGACYEGSA-N 1 2 285.391 2.397 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(C#N)c1O ZINC000866285264 647717076 /nfs/dbraw/zinc/71/70/76/647717076.db2.gz LPQHTYDGDYQINX-GWCFXTLKSA-N 1 2 282.347 2.195 20 30 CEEDLO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(C#N)c1O ZINC000866342399 647745577 /nfs/dbraw/zinc/74/55/77/647745577.db2.gz FYODFBIIOGCOHZ-XDTLVQLUSA-N 1 2 260.337 2.074 20 30 CEEDLO CCn1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1=O ZINC000866349797 647749395 /nfs/dbraw/zinc/74/93/95/647749395.db2.gz OQHBMTNETQVOMQ-LBPRGKRZSA-N 1 2 297.358 2.296 20 30 CEEDLO CCC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866414507 647780040 /nfs/dbraw/zinc/78/00/40/647780040.db2.gz HFTODNDSAVGPKK-YPMHNXCESA-N 1 2 262.353 2.466 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784015767 647788406 /nfs/dbraw/zinc/78/84/06/647788406.db2.gz QQRQEYQHDFPTKB-GFCCVEGCSA-N 1 2 279.413 2.241 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784015767 647788413 /nfs/dbraw/zinc/78/84/13/647788413.db2.gz QQRQEYQHDFPTKB-GFCCVEGCSA-N 1 2 279.413 2.241 20 30 CEEDLO C[C@H]1CCN(C(=O)c2coc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000866581189 647831454 /nfs/dbraw/zinc/83/14/54/647831454.db2.gz CHQNECANLCDKHP-SMDDNHRTSA-N 1 2 284.319 2.071 20 30 CEEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000866586674 647833729 /nfs/dbraw/zinc/83/37/29/647833729.db2.gz DFIIFEHBSBRSOA-CQSZACIVSA-N 1 2 293.374 2.231 20 30 CEEDLO Cc1nn(C[NH+]2CCC(C#N)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121139746 647839276 /nfs/dbraw/zinc/83/92/76/647839276.db2.gz HEOGUAMSMWUVAC-UHFFFAOYSA-N 1 2 299.334 2.446 20 30 CEEDLO C#CC[N@@H+](CC#CC)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790288039 648401546 /nfs/dbraw/zinc/40/15/46/648401546.db2.gz XYZBFCBVSDGPKP-SFHVURJKSA-N 1 2 294.398 2.136 20 30 CEEDLO C#CC[N@H+](CC#CC)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790288039 648401549 /nfs/dbraw/zinc/40/15/49/648401549.db2.gz XYZBFCBVSDGPKP-SFHVURJKSA-N 1 2 294.398 2.136 20 30 CEEDLO Oc1cccc(/C=N/Cc2c[nH+]c3n2CCCC3)c1O ZINC000790575215 648432591 /nfs/dbraw/zinc/43/25/91/648432591.db2.gz QDVIMVUFZJABGI-LZYBPNLTSA-N 1 2 271.320 2.250 20 30 CEEDLO C=CCC1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000791559942 648543233 /nfs/dbraw/zinc/54/32/33/648543233.db2.gz CZXPAPODDAWURV-OKILXGFUSA-N 1 2 279.380 2.139 20 30 CEEDLO C=CCC1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000791559942 648543239 /nfs/dbraw/zinc/54/32/39/648543239.db2.gz CZXPAPODDAWURV-OKILXGFUSA-N 1 2 279.380 2.139 20 30 CEEDLO N#Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)ccc1F ZINC000792323467 648638984 /nfs/dbraw/zinc/63/89/84/648638984.db2.gz HXLPWCOGSABNLE-UHFFFAOYSA-N 1 2 271.251 2.032 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3[nH]ccc3s2)CC1 ZINC000793327832 648743148 /nfs/dbraw/zinc/74/31/48/648743148.db2.gz IMPOLCIERHQHLA-UHFFFAOYSA-N 1 2 287.388 2.011 20 30 CEEDLO FC(F)(F)CCNN=Cc1cccc2[nH+]ccn21 ZINC000794552715 648883679 /nfs/dbraw/zinc/88/36/79/648883679.db2.gz RQCPYQSQGHUBGI-UHFFFAOYSA-N 1 2 256.231 2.210 20 30 CEEDLO CC[C@@]1(C)CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630237 648894989 /nfs/dbraw/zinc/89/49/89/648894989.db2.gz DFYFXWXKTOWZSE-ZDUSSCGKSA-N 1 2 279.413 2.097 20 30 CEEDLO CC[C@@]1(C)CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630237 648894993 /nfs/dbraw/zinc/89/49/93/648894993.db2.gz DFYFXWXKTOWZSE-ZDUSSCGKSA-N 1 2 279.413 2.097 20 30 CEEDLO CC(C)C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794637139 648895854 /nfs/dbraw/zinc/89/58/54/648895854.db2.gz PGAICTYEJAJAPT-LBPRGKRZSA-N 1 2 293.440 2.343 20 30 CEEDLO CC(C)C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794637139 648895856 /nfs/dbraw/zinc/89/58/56/648895856.db2.gz PGAICTYEJAJAPT-LBPRGKRZSA-N 1 2 293.440 2.343 20 30 CEEDLO CC(C)(C)c1cn(C[C@H](O)COc2ccccc2C#N)c[nH+]1 ZINC000871990175 649238322 /nfs/dbraw/zinc/23/83/22/649238322.db2.gz YAZBLAZXOBAKNS-AWEZNQCLSA-N 1 2 299.374 2.492 20 30 CEEDLO Cc1nonc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000872137664 649288877 /nfs/dbraw/zinc/28/88/77/649288877.db2.gz VCXDUUNBBSZXLR-ZDUSSCGKSA-N 1 2 254.293 2.027 20 30 CEEDLO CC(C)[C@H](O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878886980 651203849 /nfs/dbraw/zinc/20/38/49/651203849.db2.gz AEYOKOXUJJSFNH-WBVHZDCISA-N 1 2 287.407 2.346 20 30 CEEDLO CC(C)[C@H](O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878886980 651203851 /nfs/dbraw/zinc/20/38/51/651203851.db2.gz AEYOKOXUJJSFNH-WBVHZDCISA-N 1 2 287.407 2.346 20 30 CEEDLO C#CC[N@H+](Cc1cccc2c1OCCO2)C1CSC1 ZINC000878914657 651209205 /nfs/dbraw/zinc/20/92/05/651209205.db2.gz ZWKQCOAGUUYXEY-UHFFFAOYSA-N 1 2 275.373 2.008 20 30 CEEDLO C#CC[N@@H+](Cc1cccc2c1OCCO2)C1CSC1 ZINC000878914657 651209207 /nfs/dbraw/zinc/20/92/07/651209207.db2.gz ZWKQCOAGUUYXEY-UHFFFAOYSA-N 1 2 275.373 2.008 20 30 CEEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCOC(F)F)CC1 ZINC000879591184 651328386 /nfs/dbraw/zinc/32/83/86/651328386.db2.gz QHQRNVKMLWFICM-UHFFFAOYSA-N 1 2 299.296 2.059 20 30 CEEDLO N#CCCC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879596794 651328652 /nfs/dbraw/zinc/32/86/52/651328652.db2.gz RJRUTNHXJAUVLB-UHFFFAOYSA-N 1 2 265.307 2.391 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872039 652242354 /nfs/dbraw/zinc/24/23/54/652242354.db2.gz UWBGIITXIVKDSZ-DOTOQJQBSA-N 1 2 299.374 2.068 20 30 CEEDLO C#CC1(NC(=O)NCc2ccn3cc[nH+]c3c2)CCCC1 ZINC000883525898 652493390 /nfs/dbraw/zinc/49/33/90/652493390.db2.gz WHIRWIRAMFCOBK-UHFFFAOYSA-N 1 2 282.347 2.080 20 30 CEEDLO CC#CCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889335765 652608985 /nfs/dbraw/zinc/60/89/85/652608985.db2.gz PKJKSTAOIJTTPR-HDJSIYSDSA-N 1 2 286.379 2.127 20 30 CEEDLO C=CCC1(O)CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000884724429 652970349 /nfs/dbraw/zinc/97/03/49/652970349.db2.gz SVVUSWGBNHIQLR-UHFFFAOYSA-N 1 2 284.363 2.119 20 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345833304 /nfs/dbraw/zinc/83/33/04/345833304.db2.gz SKAOXABVGFMVHB-UHFFFAOYSA-N 1 2 258.350 2.435 20 30 CEEDLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836388 345892308 /nfs/dbraw/zinc/89/23/08/345892308.db2.gz YXCDOSDBZLIPTP-XJKSGUPXSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836388 345892311 /nfs/dbraw/zinc/89/23/11/345892311.db2.gz YXCDOSDBZLIPTP-XJKSGUPXSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1[nH+]ccn1C ZINC000595845632 345897383 /nfs/dbraw/zinc/89/73/83/345897383.db2.gz ROEHUWVTVWXRMK-NSHDSACASA-N 1 2 295.346 2.078 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810707 345881507 /nfs/dbraw/zinc/88/15/07/345881507.db2.gz NEISMNSHOPPRMK-JQWIXIFHSA-N 1 2 257.293 2.308 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810707 345881508 /nfs/dbraw/zinc/88/15/08/345881508.db2.gz NEISMNSHOPPRMK-JQWIXIFHSA-N 1 2 257.293 2.308 20 30 CEEDLO C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000595844309 345897000 /nfs/dbraw/zinc/89/70/00/345897000.db2.gz GRMYTJORXCSXBS-LBPRGKRZSA-N 1 2 297.362 2.194 20 30 CEEDLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844573 345897064 /nfs/dbraw/zinc/89/70/64/345897064.db2.gz VDOVHXFRUZJUGC-JSGCOSHPSA-N 1 2 252.358 2.200 20 30 CEEDLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844573 345897067 /nfs/dbraw/zinc/89/70/67/345897067.db2.gz VDOVHXFRUZJUGC-JSGCOSHPSA-N 1 2 252.358 2.200 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C#N)cc1C ZINC000595871212 345901729 /nfs/dbraw/zinc/90/17/29/345901729.db2.gz QDMRYBDDSQHLRY-UHFFFAOYSA-N 1 2 284.359 2.394 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C#N)cc1C ZINC000595871212 345901731 /nfs/dbraw/zinc/90/17/31/345901731.db2.gz QDMRYBDDSQHLRY-UHFFFAOYSA-N 1 2 284.359 2.394 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](CC)CCOc1ccccc1OC ZINC000595888129 345906871 /nfs/dbraw/zinc/90/68/71/345906871.db2.gz RCJQPZXKVPZOAG-CYBMUJFWSA-N 1 2 293.363 2.124 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)CCOc1ccccc1OC ZINC000595888129 345906875 /nfs/dbraw/zinc/90/68/75/345906875.db2.gz RCJQPZXKVPZOAG-CYBMUJFWSA-N 1 2 293.363 2.124 20 30 CEEDLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1sccc1C#N ZINC000595914524 345911885 /nfs/dbraw/zinc/91/18/85/345911885.db2.gz BEMBFEFKUFSIFI-UHFFFAOYSA-N 1 2 261.350 2.043 20 30 CEEDLO CC12CC(C1)C[N@H+]2CC(=O)Nc1sccc1C#N ZINC000595914524 345911886 /nfs/dbraw/zinc/91/18/86/345911886.db2.gz BEMBFEFKUFSIFI-UHFFFAOYSA-N 1 2 261.350 2.043 20 30 CEEDLO CCc1nc(C#N)cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000596153593 345953813 /nfs/dbraw/zinc/95/38/13/345953813.db2.gz IGYVDFNDGNQWGY-GFCCVEGCSA-N 1 2 282.351 2.365 20 30 CEEDLO Cc1ccc[nH+]c1CCCNc1c(C#N)cnn1C ZINC000596253491 345980866 /nfs/dbraw/zinc/98/08/66/345980866.db2.gz ALBXJEAHCDPWMN-UHFFFAOYSA-N 1 2 255.325 2.040 20 30 CEEDLO N#CC[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000596329987 346001115 /nfs/dbraw/zinc/00/11/15/346001115.db2.gz OHAVOSZYDUJIOS-LLVKDONJSA-N 1 2 267.336 2.172 20 30 CEEDLO C=CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596411493 346018113 /nfs/dbraw/zinc/01/81/13/346018113.db2.gz CRFVXKGPRASPCV-UHFFFAOYSA-N 1 2 291.351 2.415 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C)CC#N ZINC000596793926 346090888 /nfs/dbraw/zinc/09/08/88/346090888.db2.gz RLFAZTHMPSTYHP-LBPRGKRZSA-N 1 2 284.363 2.401 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596801901 346091507 /nfs/dbraw/zinc/09/15/07/346091507.db2.gz UXSMZKNARHPBQE-NSHDSACASA-N 1 2 283.335 2.483 20 30 CEEDLO Cc1cn2cc(NC(=O)CC3(C#N)CCOCC3)ccc2[nH+]1 ZINC000597059934 346122325 /nfs/dbraw/zinc/12/23/25/346122325.db2.gz ZEKDCSPVAZIUTJ-UHFFFAOYSA-N 1 2 298.346 2.292 20 30 CEEDLO Cc1cccn2c(NC(=O)NCC3(C#N)CCC3)c[nH+]c12 ZINC000597085138 346126854 /nfs/dbraw/zinc/12/68/54/346126854.db2.gz RVSITEVVKKFAPM-UHFFFAOYSA-N 1 2 283.335 2.458 20 30 CEEDLO Cn1nc(C(F)(F)F)cc1C[NH2+]CC1(C#N)CCC1 ZINC000597152469 346136020 /nfs/dbraw/zinc/13/60/20/346136020.db2.gz BCJUATJVRZPJKU-UHFFFAOYSA-N 1 2 272.274 2.222 20 30 CEEDLO N#CCC1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597194299 346145483 /nfs/dbraw/zinc/14/54/83/346145483.db2.gz RCGBXOVOROADSE-HWKANZROSA-N 1 2 257.293 2.453 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[NH+]1CC(CC#N)C1 ZINC000597192275 346145673 /nfs/dbraw/zinc/14/56/73/346145673.db2.gz JSRHHCCCWGWJNP-UHFFFAOYSA-N 1 2 276.336 2.058 20 30 CEEDLO N#CCC1C[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000597204234 346147918 /nfs/dbraw/zinc/14/79/18/346147918.db2.gz VDQDPODPHWPGEE-GFCCVEGCSA-N 1 2 263.366 2.340 20 30 CEEDLO N#CCC1C[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000597204235 346148301 /nfs/dbraw/zinc/14/83/01/346148301.db2.gz VDQDPODPHWPGEE-LBPRGKRZSA-N 1 2 263.366 2.340 20 30 CEEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccncc2)n1 ZINC000597228711 346155174 /nfs/dbraw/zinc/15/51/74/346155174.db2.gz GGTOLXGCKBHTLM-INIZCTEOSA-N 1 2 281.363 2.218 20 30 CEEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccncc2)n1 ZINC000597228711 346155177 /nfs/dbraw/zinc/15/51/77/346155177.db2.gz GGTOLXGCKBHTLM-INIZCTEOSA-N 1 2 281.363 2.218 20 30 CEEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1C#N ZINC000597232725 346156528 /nfs/dbraw/zinc/15/65/28/346156528.db2.gz WFKQOEFFSIWTOO-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1C#N ZINC000597232725 346156531 /nfs/dbraw/zinc/15/65/31/346156531.db2.gz WFKQOEFFSIWTOO-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cc(C#N)ccc21 ZINC000597776798 346229693 /nfs/dbraw/zinc/22/96/93/346229693.db2.gz MROYQOAGZBVOCS-NSHDSACASA-N 1 2 280.331 2.049 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2cc(C#N)ccc21 ZINC000597776798 346229696 /nfs/dbraw/zinc/22/96/96/346229696.db2.gz MROYQOAGZBVOCS-NSHDSACASA-N 1 2 280.331 2.049 20 30 CEEDLO C=CCCSCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000597970600 346259926 /nfs/dbraw/zinc/25/99/26/346259926.db2.gz KNHTUWAFSBVQKK-UHFFFAOYSA-N 1 2 289.404 2.302 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863241 346240937 /nfs/dbraw/zinc/24/09/37/346240937.db2.gz LXTGPZZAGPYZRX-LBPRGKRZSA-N 1 2 282.347 2.119 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863241 346240941 /nfs/dbraw/zinc/24/09/41/346240941.db2.gz LXTGPZZAGPYZRX-LBPRGKRZSA-N 1 2 282.347 2.119 20 30 CEEDLO N#CC[C@H]1CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000597904467 346249413 /nfs/dbraw/zinc/24/94/13/346249413.db2.gz SCETWLRWPLYMAF-GFCCVEGCSA-N 1 2 299.365 2.116 20 30 CEEDLO C=CCCSCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000597975552 346261715 /nfs/dbraw/zinc/26/17/15/346261715.db2.gz HRXSORLQQHPLAY-LBPRGKRZSA-N 1 2 267.398 2.260 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N([C@@H](C)C#N)C3CC3)ccn12 ZINC000598137737 346298910 /nfs/dbraw/zinc/29/89/10/346298910.db2.gz QNNQDTSLEFNXII-JTQLQIEISA-N 1 2 268.320 2.159 20 30 CEEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)C#N ZINC000598348811 346333739 /nfs/dbraw/zinc/33/37/39/346333739.db2.gz CPHHEJBIVGOESU-LBPRGKRZSA-N 1 2 268.320 2.246 20 30 CEEDLO C[C@@]1(C#N)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000598410693 346349164 /nfs/dbraw/zinc/34/91/64/346349164.db2.gz MIKLWKLFUDGSDA-INIZCTEOSA-N 1 2 280.331 2.248 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)cnc2ccccc21 ZINC000062255545 362716189 /nfs/dbraw/zinc/71/61/89/362716189.db2.gz RXVWSHCUQWBZNE-UHFFFAOYSA-N 1 2 277.331 2.476 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000598836555 346425826 /nfs/dbraw/zinc/42/58/26/346425826.db2.gz MHQLQBGMUNHRAM-ORIJERBGSA-N 1 2 277.412 2.163 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C#N)ccc1C(F)(F)F ZINC000599161515 346470012 /nfs/dbraw/zinc/47/00/12/346470012.db2.gz QEEGLOCWSYDCKZ-LLVKDONJSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C#N)ccc1C(F)(F)F ZINC000599161515 346470013 /nfs/dbraw/zinc/47/00/13/346470013.db2.gz QEEGLOCWSYDCKZ-LLVKDONJSA-N 1 2 299.296 2.320 20 30 CEEDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)CC#N)c1O ZINC000063087431 362749088 /nfs/dbraw/zinc/74/90/88/362749088.db2.gz COQYZFMIPZFREN-VIFPVBQESA-N 1 2 264.300 2.468 20 30 CEEDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)CC#N)c1O ZINC000063087431 362749094 /nfs/dbraw/zinc/74/90/94/362749094.db2.gz COQYZFMIPZFREN-VIFPVBQESA-N 1 2 264.300 2.468 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1C#N ZINC000599252162 346484420 /nfs/dbraw/zinc/48/44/20/346484420.db2.gz MKLAHWHOTKSOKS-UHFFFAOYSA-N 1 2 285.391 2.167 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)n1 ZINC000599358142 346506254 /nfs/dbraw/zinc/50/62/54/346506254.db2.gz FCSZPDZFZWSNCF-SNVBAGLBSA-N 1 2 256.309 2.409 20 30 CEEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675025 346561278 /nfs/dbraw/zinc/56/12/78/346561278.db2.gz HBPPTYFRLYFKQN-CYBMUJFWSA-N 1 2 285.391 2.025 20 30 CEEDLO CC[C@@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675025 346561282 /nfs/dbraw/zinc/56/12/82/346561282.db2.gz HBPPTYFRLYFKQN-CYBMUJFWSA-N 1 2 285.391 2.025 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599557428 346537150 /nfs/dbraw/zinc/53/71/50/346537150.db2.gz CCCKNYBISRSCIF-CJNGLKHVSA-N 1 2 283.412 2.415 20 30 CEEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000599691913 346567960 /nfs/dbraw/zinc/56/79/60/346567960.db2.gz UWXLAJNXTBZQAR-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000599691913 346567965 /nfs/dbraw/zinc/56/79/65/346567965.db2.gz UWXLAJNXTBZQAR-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO COC(=O)C1C[C@@H](C)[NH+](Cc2nc(C#N)cs2)[C@H](C)C1 ZINC000599692102 346568318 /nfs/dbraw/zinc/56/83/18/346568318.db2.gz SFUYAFQYXOZLHO-NXEZZACHSA-N 1 2 293.392 2.177 20 30 CEEDLO Cc1ccc(C[S@](=O)Cc2c[nH+]cn2C)cc1C#N ZINC000600904099 346707014 /nfs/dbraw/zinc/70/70/14/346707014.db2.gz UKOMJDROHPYHAY-IBGZPJMESA-N 1 2 273.361 2.049 20 30 CEEDLO COc1ncc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000602697617 347153999 /nfs/dbraw/zinc/15/39/99/347153999.db2.gz DBPWLWRXFXOOAZ-UHFFFAOYSA-N 1 2 251.355 2.325 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000602714096 347166475 /nfs/dbraw/zinc/16/64/75/347166475.db2.gz SXCZLUWWICUYDL-UHFFFAOYSA-N 1 2 283.375 2.344 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000602714096 347166478 /nfs/dbraw/zinc/16/64/78/347166478.db2.gz SXCZLUWWICUYDL-UHFFFAOYSA-N 1 2 283.375 2.344 20 30 CEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602795405 347201640 /nfs/dbraw/zinc/20/16/40/347201640.db2.gz AVJMWYGTOQMGCH-AWEZNQCLSA-N 1 2 288.395 2.104 20 30 CEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602795405 347201642 /nfs/dbraw/zinc/20/16/42/347201642.db2.gz AVJMWYGTOQMGCH-AWEZNQCLSA-N 1 2 288.395 2.104 20 30 CEEDLO CCOC(=O)c1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000602803932 347205935 /nfs/dbraw/zinc/20/59/35/347205935.db2.gz BYZRHRSXELFNKU-UHFFFAOYSA-N 1 2 293.392 2.445 20 30 CEEDLO COC(=O)c1coc([C@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000602806690 347207419 /nfs/dbraw/zinc/20/74/19/347207419.db2.gz OLUYWYIZKGNMJM-JTQLQIEISA-N 1 2 277.324 2.148 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCC2)C(=O)OC ZINC000602733509 347177119 /nfs/dbraw/zinc/17/71/19/347177119.db2.gz IPVCRAWAFFWBCE-MELADBBJSA-N 1 2 281.396 2.432 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1Cc2ccccc2C1)C(=O)OC ZINC000602734677 347178515 /nfs/dbraw/zinc/17/85/15/347178515.db2.gz RBLZLWVUSLVTGT-OAHLLOKOSA-N 1 2 259.349 2.251 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)C(=O)OC ZINC000602738570 347179756 /nfs/dbraw/zinc/17/97/56/347179756.db2.gz MQBQQOJQXDMCMR-TUAOUCFPSA-N 1 2 257.399 2.368 20 30 CEEDLO CCOC(=O)c1ncc(C[NH2+][C@H](CC)CC#N)s1 ZINC000602838755 347219954 /nfs/dbraw/zinc/21/99/54/347219954.db2.gz CACQOKMHHCIDJF-SECBINFHSA-N 1 2 267.354 2.102 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847735 347223438 /nfs/dbraw/zinc/22/34/38/347223438.db2.gz UMYFIQUDAJATGM-LLVKDONJSA-N 1 2 299.334 2.393 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602847735 347223443 /nfs/dbraw/zinc/22/34/43/347223443.db2.gz UMYFIQUDAJATGM-LLVKDONJSA-N 1 2 299.334 2.393 20 30 CEEDLO Cc1nc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)sc1C ZINC000602847368 347223479 /nfs/dbraw/zinc/22/34/79/347223479.db2.gz AVMPGBCOHMCMCN-PHIMTYICSA-N 1 2 278.425 2.178 20 30 CEEDLO Cc1nc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)sc1C ZINC000602847368 347223483 /nfs/dbraw/zinc/22/34/83/347223483.db2.gz AVMPGBCOHMCMCN-PHIMTYICSA-N 1 2 278.425 2.178 20 30 CEEDLO C[C@H]1C[NH+](Cc2cc(O)ccc2Cl)C[C@H](C)N1CC#N ZINC000602851367 347224352 /nfs/dbraw/zinc/22/43/52/347224352.db2.gz VQNUTBLATWYUDW-RYUDHWBXSA-N 1 2 293.798 2.464 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(Cl)cn2)C[C@@H](C)N1CC#N ZINC000602851432 347224428 /nfs/dbraw/zinc/22/44/28/347224428.db2.gz WBQPWKVXXMJIAS-VXGBXAGGSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@H]1C[NH+](Cc2cncc(Cl)c2)C[C@H](C)N1CC#N ZINC000602849776 347224458 /nfs/dbraw/zinc/22/44/58/347224458.db2.gz NSWMOJXICNGJNI-RYUDHWBXSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@H]1C[NH+](Cc2c(F)cccc2F)C[C@H](C)N1CC#N ZINC000602852528 347225022 /nfs/dbraw/zinc/22/50/22/347225022.db2.gz CAZBAPLHWBJJJF-RYUDHWBXSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000602860376 347228189 /nfs/dbraw/zinc/22/81/89/347228189.db2.gz BDVQUVGVKNDALC-WDEREUQCSA-N 1 2 279.771 2.409 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000602861318 347228977 /nfs/dbraw/zinc/22/89/77/347228977.db2.gz GZVFHNMNJQXWDO-BDAKNGLRSA-N 1 2 267.279 2.184 20 30 CEEDLO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)CC#N)cc1C ZINC000602867071 347231292 /nfs/dbraw/zinc/23/12/92/347231292.db2.gz BDVUAHCEPWYBLK-ZJUUUORDSA-N 1 2 250.298 2.327 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000602869441 347231962 /nfs/dbraw/zinc/23/19/62/347231962.db2.gz NXWKMGJZJIRJIW-SECBINFHSA-N 1 2 283.278 2.118 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000602869866 347231998 /nfs/dbraw/zinc/23/19/98/347231998.db2.gz QAJOIJQHWUEPMD-IOSBVQAASA-N 1 2 290.411 2.198 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000602869442 347232061 /nfs/dbraw/zinc/23/20/61/347232061.db2.gz NXWKMGJZJIRJIW-VIFPVBQESA-N 1 2 283.278 2.118 20 30 CEEDLO Cc1ccc2nc(NC(=O)C[NH2+][C@@H](C)CC#N)sc2c1 ZINC000602871190 347232896 /nfs/dbraw/zinc/23/28/96/347232896.db2.gz YYEDVZGHUZAHQL-JTQLQIEISA-N 1 2 288.376 2.435 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccn1 ZINC000603129352 347292590 /nfs/dbraw/zinc/29/25/90/347292590.db2.gz LOOSMRURZQFDMS-UHFFFAOYSA-N 1 2 296.334 2.019 20 30 CEEDLO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974294 347260236 /nfs/dbraw/zinc/26/02/36/347260236.db2.gz MDJLXOKVNVPILD-GOEBONIOSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974294 347260240 /nfs/dbraw/zinc/26/02/40/347260240.db2.gz MDJLXOKVNVPILD-GOEBONIOSA-N 1 2 285.391 2.235 20 30 CEEDLO CN(C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000602974666 347261402 /nfs/dbraw/zinc/26/14/02/347261402.db2.gz RQGXVTLYNMKWER-ZFWWWQNUSA-N 1 2 277.412 2.402 20 30 CEEDLO CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000602974666 347261403 /nfs/dbraw/zinc/26/14/03/347261403.db2.gz RQGXVTLYNMKWER-ZFWWWQNUSA-N 1 2 277.412 2.402 20 30 CEEDLO C[N@H+](CC(=O)NC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976947 347262155 /nfs/dbraw/zinc/26/21/55/347262155.db2.gz VOQLKFDMDUNTNP-TZMCWYRMSA-N 1 2 263.385 2.059 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976947 347262157 /nfs/dbraw/zinc/26/21/57/347262157.db2.gz VOQLKFDMDUNTNP-TZMCWYRMSA-N 1 2 263.385 2.059 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602978430 347263285 /nfs/dbraw/zinc/26/32/85/347263285.db2.gz QRDJKONVXFKQNW-LSDHHAIUSA-N 1 2 271.364 2.170 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602978430 347263287 /nfs/dbraw/zinc/26/32/87/347263287.db2.gz QRDJKONVXFKQNW-LSDHHAIUSA-N 1 2 271.364 2.170 20 30 CEEDLO C[N@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602978490 347263366 /nfs/dbraw/zinc/26/33/66/347263366.db2.gz RRDNBCRUKCNVLT-CHWSQXEVSA-N 1 2 265.401 2.163 20 30 CEEDLO C[N@@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602978490 347263371 /nfs/dbraw/zinc/26/33/71/347263371.db2.gz RRDNBCRUKCNVLT-CHWSQXEVSA-N 1 2 265.401 2.163 20 30 CEEDLO Cc1nc(NCC[N@@H+]2CCO[C@@H](C)C2)c(Cl)cc1C#N ZINC000568341544 299138854 /nfs/dbraw/zinc/13/88/54/299138854.db2.gz SWMGYKDGFSBQFY-JTQLQIEISA-N 1 2 294.786 2.048 20 30 CEEDLO Cc1nc(NCC[N@H+]2CCO[C@@H](C)C2)c(Cl)cc1C#N ZINC000568341544 299138856 /nfs/dbraw/zinc/13/88/56/299138856.db2.gz SWMGYKDGFSBQFY-JTQLQIEISA-N 1 2 294.786 2.048 20 30 CEEDLO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000602981338 347265093 /nfs/dbraw/zinc/26/50/93/347265093.db2.gz BRBKVAHDRBOWQI-KBMXLJTQSA-N 1 2 285.391 2.488 20 30 CEEDLO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000602981338 347265097 /nfs/dbraw/zinc/26/50/97/347265097.db2.gz BRBKVAHDRBOWQI-KBMXLJTQSA-N 1 2 285.391 2.488 20 30 CEEDLO N#CC1(Cc2cn(Cc3[nH]cc[nH+]3)nn2)CCCCC1 ZINC000603159281 347300270 /nfs/dbraw/zinc/30/02/70/347300270.db2.gz CXWCHTKUTKEJGM-UHFFFAOYSA-N 1 2 270.340 2.066 20 30 CEEDLO Cc1nc(C#N)n(Cc2cn3c(cccc3C)[nH+]2)c1C ZINC000603349937 347346864 /nfs/dbraw/zinc/34/68/64/347346864.db2.gz OBAZAHXVLVEDDE-UHFFFAOYSA-N 1 2 265.320 2.376 20 30 CEEDLO C=CCSCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609139680 347627430 /nfs/dbraw/zinc/62/74/30/347627430.db2.gz OAFBJQZPAPEVGM-CYBMUJFWSA-N 1 2 294.424 2.149 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000609538087 347642673 /nfs/dbraw/zinc/64/26/73/347642673.db2.gz HMYAJDGLMAOCQC-MRXNPFEDSA-N 1 2 275.371 2.491 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000610542955 347690713 /nfs/dbraw/zinc/69/07/13/347690713.db2.gz QELCJNDPPAMSJU-HOCLYGCPSA-N 1 2 272.396 2.308 20 30 CEEDLO CC1CC(C#N)(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000610712167 347705292 /nfs/dbraw/zinc/70/52/92/347705292.db2.gz ALBUREPFQQDHIW-UHFFFAOYSA-N 1 2 283.375 2.058 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(F)cc1 ZINC000065958442 362848292 /nfs/dbraw/zinc/84/82/92/362848292.db2.gz KAZQLFHBLUIEGQ-UHFFFAOYSA-N 1 2 276.355 2.176 20 30 CEEDLO C#CC[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(F)cc1 ZINC000065958442 362848297 /nfs/dbraw/zinc/84/82/97/362848297.db2.gz KAZQLFHBLUIEGQ-UHFFFAOYSA-N 1 2 276.355 2.176 20 30 CEEDLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000611012958 347733003 /nfs/dbraw/zinc/73/30/03/347733003.db2.gz PYHKQCJREBCMBA-DOMZBBRYSA-N 1 2 294.358 2.195 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171171 347747136 /nfs/dbraw/zinc/74/71/36/347747136.db2.gz GISYVFVYPDZASP-AWEZNQCLSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171171 347747138 /nfs/dbraw/zinc/74/71/38/347747138.db2.gz GISYVFVYPDZASP-AWEZNQCLSA-N 1 2 286.441 2.073 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180169 347749160 /nfs/dbraw/zinc/74/91/60/347749160.db2.gz SXQRTOFDGFHSAT-STQMWFEESA-N 1 2 294.301 2.359 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180169 347749165 /nfs/dbraw/zinc/74/91/65/347749165.db2.gz SXQRTOFDGFHSAT-STQMWFEESA-N 1 2 294.301 2.359 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180877 347749564 /nfs/dbraw/zinc/74/95/64/347749564.db2.gz ZZFYTWWROCXJPX-AAEUAGOBSA-N 1 2 299.365 2.160 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCO)C(C)C)c1C#N ZINC000611520681 347790222 /nfs/dbraw/zinc/79/02/22/347790222.db2.gz RGRHRCQUBAEWTN-UHFFFAOYSA-N 1 2 298.390 2.255 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCO)C(C)C)c1C#N ZINC000611520681 347790224 /nfs/dbraw/zinc/79/02/24/347790224.db2.gz RGRHRCQUBAEWTN-UHFFFAOYSA-N 1 2 298.390 2.255 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162694 347852039 /nfs/dbraw/zinc/85/20/39/347852039.db2.gz LURSMUJXYNZVRG-LZWOXQAQSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162694 347852041 /nfs/dbraw/zinc/85/20/41/347852041.db2.gz LURSMUJXYNZVRG-LZWOXQAQSA-N 1 2 277.412 2.402 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164655 347852127 /nfs/dbraw/zinc/85/21/27/347852127.db2.gz HIKQZYKXVRIMMU-GDBMZVCRSA-N 1 2 275.396 2.201 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164655 347852129 /nfs/dbraw/zinc/85/21/29/347852129.db2.gz HIKQZYKXVRIMMU-GDBMZVCRSA-N 1 2 275.396 2.201 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000612163648 347852225 /nfs/dbraw/zinc/85/22/25/347852225.db2.gz VOSAMSZTBBBKJI-OAHLLOKOSA-N 1 2 263.385 2.015 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000612163648 347852228 /nfs/dbraw/zinc/85/22/28/347852228.db2.gz VOSAMSZTBBBKJI-OAHLLOKOSA-N 1 2 263.385 2.015 20 30 CEEDLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000612048979 347837434 /nfs/dbraw/zinc/83/74/34/347837434.db2.gz NLKMNYSVTRPBED-QWRGUYRKSA-N 1 2 286.335 2.499 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000612529997 347898415 /nfs/dbraw/zinc/89/84/15/347898415.db2.gz MCQFIVXRBIACEH-SNVBAGLBSA-N 1 2 285.351 2.485 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000130408360 365953075 /nfs/dbraw/zinc/95/30/75/365953075.db2.gz UPLOTDREGMAUQJ-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC(C)(C)C1 ZINC000130408360 365953077 /nfs/dbraw/zinc/95/30/77/365953077.db2.gz UPLOTDREGMAUQJ-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000408160654 260331776 /nfs/dbraw/zinc/33/17/76/260331776.db2.gz WRJJSYRSSBWQTE-CZUORRHYSA-N 1 2 290.411 2.055 20 30 CEEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000614395975 348192306 /nfs/dbraw/zinc/19/23/06/348192306.db2.gz HQMVWNCSFXDVAC-SFHVURJKSA-N 1 2 299.418 2.163 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000614402889 348193714 /nfs/dbraw/zinc/19/37/14/348193714.db2.gz XKAVLEFJQZAYIC-UHFFFAOYSA-N 1 2 258.321 2.004 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000614402889 348193717 /nfs/dbraw/zinc/19/37/17/348193717.db2.gz XKAVLEFJQZAYIC-UHFFFAOYSA-N 1 2 258.321 2.004 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000614401078 348193868 /nfs/dbraw/zinc/19/38/68/348193868.db2.gz ZZELQYHDWMPFSF-QUJCMNEKSA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000614401078 348193872 /nfs/dbraw/zinc/19/38/72/348193872.db2.gz ZZELQYHDWMPFSF-QUJCMNEKSA-N 1 2 276.405 2.208 20 30 CEEDLO C=C[C@](C)(O)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000614545879 348212890 /nfs/dbraw/zinc/21/28/90/348212890.db2.gz RNAGTRMHUFEMOJ-KRWDZBQOSA-N 1 2 299.374 2.233 20 30 CEEDLO Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1C#N ZINC000615698961 348376689 /nfs/dbraw/zinc/37/66/89/348376689.db2.gz KSUOCSFVYSJGRP-CYBMUJFWSA-N 1 2 267.336 2.300 20 30 CEEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000617546994 348725064 /nfs/dbraw/zinc/72/50/64/348725064.db2.gz XASKVWHWXDCMES-UHFFFAOYSA-N 1 2 281.363 2.164 20 30 CEEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000617546994 348725067 /nfs/dbraw/zinc/72/50/67/348725067.db2.gz XASKVWHWXDCMES-UHFFFAOYSA-N 1 2 281.363 2.164 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000617781540 348790833 /nfs/dbraw/zinc/79/08/33/348790833.db2.gz OYRBMLUWYCICBV-OAHLLOKOSA-N 1 2 292.423 2.056 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)nc1 ZINC000618903933 349063787 /nfs/dbraw/zinc/06/37/87/349063787.db2.gz PYIRGERPTZAUCK-ZDUSSCGKSA-N 1 2 267.336 2.056 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)nc1 ZINC000618903933 349063789 /nfs/dbraw/zinc/06/37/89/349063789.db2.gz PYIRGERPTZAUCK-ZDUSSCGKSA-N 1 2 267.336 2.056 20 30 CEEDLO C=C[C@@H]([NH2+]CCCn1ccc2ccccc21)C(=O)OC ZINC000619699684 349220616 /nfs/dbraw/zinc/22/06/16/349220616.db2.gz KSRZEMREWGWEOB-CQSZACIVSA-N 1 2 272.348 2.349 20 30 CEEDLO C=C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)C(=O)OC ZINC000619701637 349222396 /nfs/dbraw/zinc/22/23/96/349222396.db2.gz PMJOFRSHUQCGAG-AWEZNQCLSA-N 1 2 272.348 2.418 20 30 CEEDLO C=C[C@H]([NH2+][C@H]1C[C@@H](OCC)C1(CC)CC)C(=O)OC ZINC000619702323 349222557 /nfs/dbraw/zinc/22/25/57/349222557.db2.gz KZTXMLJQNFKXHF-RWMBFGLXSA-N 1 2 269.385 2.287 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@H]1CCCc2cc(OC)ccc21)C(=O)OC ZINC000619702253 349222873 /nfs/dbraw/zinc/22/28/73/349222873.db2.gz ATRWQERKNMKCCB-CZUORRHYSA-N 1 2 289.375 2.432 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000619703780 349224623 /nfs/dbraw/zinc/22/46/23/349224623.db2.gz SBNXXMUKNNGUEU-IUODEOHRSA-N 1 2 277.364 2.191 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000619719013 349227991 /nfs/dbraw/zinc/22/79/91/349227991.db2.gz NDNJWWZZKSEDRS-HNNXBMFYSA-N 1 2 297.358 2.380 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(c2c[nH]c3ncccc32)CC1 ZINC000619719013 349227992 /nfs/dbraw/zinc/22/79/92/349227992.db2.gz NDNJWWZZKSEDRS-HNNXBMFYSA-N 1 2 297.358 2.380 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000619719595 349228054 /nfs/dbraw/zinc/22/80/54/349228054.db2.gz NSJDFTPAMDODHI-OAHLLOKOSA-N 1 2 299.374 2.470 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc(C#N)nn1 ZINC000619528066 349193668 /nfs/dbraw/zinc/19/36/68/349193668.db2.gz ONLGCHQBYVSHNJ-CYBMUJFWSA-N 1 2 282.351 2.296 20 30 CEEDLO Cc1nnc([C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000411738775 233275244 /nfs/dbraw/zinc/27/52/44/233275244.db2.gz VCGYUANROCWIMN-LBPRGKRZSA-N 1 2 299.378 2.194 20 30 CEEDLO Cc1nnc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000411738775 233275246 /nfs/dbraw/zinc/27/52/46/233275246.db2.gz VCGYUANROCWIMN-LBPRGKRZSA-N 1 2 299.378 2.194 20 30 CEEDLO C=CCCOCCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624066342 350183961 /nfs/dbraw/zinc/18/39/61/350183961.db2.gz GNZVVBUZTOYQSV-UHFFFAOYSA-N 1 2 282.347 2.309 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)C1CC1 ZINC000271327787 191075610 /nfs/dbraw/zinc/07/56/10/191075610.db2.gz AFLKBSZGTBBXOI-UHFFFAOYSA-N 1 2 288.347 2.062 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)C1CC1 ZINC000271327787 191075613 /nfs/dbraw/zinc/07/56/13/191075613.db2.gz AFLKBSZGTBBXOI-UHFFFAOYSA-N 1 2 288.347 2.062 20 30 CEEDLO C=C(C)C[N@@H+](CC)Cc1csc(CC(=O)N(C)C)n1 ZINC000104945144 186032814 /nfs/dbraw/zinc/03/28/14/186032814.db2.gz FYCMDHCBJYSFGZ-UHFFFAOYSA-N 1 2 281.425 2.172 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000624388823 350277877 /nfs/dbraw/zinc/27/78/77/350277877.db2.gz IRPVGDKMWGXQBI-NSHDSACASA-N 1 2 264.373 2.383 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CF)CC1 ZINC000295156347 199376868 /nfs/dbraw/zinc/37/68/68/199376868.db2.gz OEDOKIVBXNJTLV-HNNXBMFYSA-N 1 2 290.338 2.454 20 30 CEEDLO COCC#CC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800485 350574608 /nfs/dbraw/zinc/57/46/08/350574608.db2.gz JGPJBJUZCUWSAF-GOSISDBHSA-N 1 2 299.370 2.136 20 30 CEEDLO COCC#CC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800485 350574612 /nfs/dbraw/zinc/57/46/12/350574612.db2.gz JGPJBJUZCUWSAF-GOSISDBHSA-N 1 2 299.370 2.136 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812587 186275958 /nfs/dbraw/zinc/27/59/58/186275958.db2.gz CZGFSWRDYIZPMR-MRXNPFEDSA-N 1 2 292.427 2.303 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812587 186275959 /nfs/dbraw/zinc/27/59/59/186275959.db2.gz CZGFSWRDYIZPMR-MRXNPFEDSA-N 1 2 292.427 2.303 20 30 CEEDLO Cc1cc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)ccc1C#N ZINC000336508309 213383213 /nfs/dbraw/zinc/38/32/13/213383213.db2.gz ZYNTXRMEFPFKJN-STQMWFEESA-N 1 2 276.405 2.208 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cccc(NC(C)=O)c1 ZINC000072689408 363158794 /nfs/dbraw/zinc/15/87/94/363158794.db2.gz SRQXZAIRHMNEID-UHFFFAOYSA-N 1 2 275.352 2.007 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cccc(NC(C)=O)c1 ZINC000072689408 363158803 /nfs/dbraw/zinc/15/88/03/363158803.db2.gz SRQXZAIRHMNEID-UHFFFAOYSA-N 1 2 275.352 2.007 20 30 CEEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000154008067 188116862 /nfs/dbraw/zinc/11/68/62/188116862.db2.gz JSENBOMVUDYHHP-NSHDSACASA-N 1 2 293.392 2.330 20 30 CEEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000154008067 188116864 /nfs/dbraw/zinc/11/68/64/188116864.db2.gz JSENBOMVUDYHHP-NSHDSACASA-N 1 2 293.392 2.330 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156527275 188267112 /nfs/dbraw/zinc/26/71/12/188267112.db2.gz UJTVFPKBTONWCQ-QWHCGFSZSA-N 1 2 290.363 2.055 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156527275 188267114 /nfs/dbraw/zinc/26/71/14/188267114.db2.gz UJTVFPKBTONWCQ-QWHCGFSZSA-N 1 2 290.363 2.055 20 30 CEEDLO CCOCCO[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000157638570 188329528 /nfs/dbraw/zinc/32/95/28/188329528.db2.gz BZYYGOOGNYQFDQ-INIZCTEOSA-N 1 2 292.354 2.325 20 30 CEEDLO CCOCCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000157638570 188329529 /nfs/dbraw/zinc/32/95/29/188329529.db2.gz BZYYGOOGNYQFDQ-INIZCTEOSA-N 1 2 292.354 2.325 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000157948920 188348950 /nfs/dbraw/zinc/34/89/50/188348950.db2.gz KKHLWJNZOKCUGI-UHFFFAOYSA-N 1 2 290.411 2.349 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)[nH]2)c[nH+]1 ZINC000158480425 188378512 /nfs/dbraw/zinc/37/85/12/188378512.db2.gz PGSWAHVETBLEMD-UHFFFAOYSA-N 1 2 297.362 2.058 20 30 CEEDLO C#CC[C@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1 ZINC000271702044 191282902 /nfs/dbraw/zinc/28/29/02/191282902.db2.gz MRCLOMGZFSAZKQ-HNNXBMFYSA-N 1 2 258.365 2.255 20 30 CEEDLO C=CCOc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000074384916 363332830 /nfs/dbraw/zinc/33/28/30/363332830.db2.gz MRLORRQYPMTPOT-UHFFFAOYSA-N 1 2 285.347 2.257 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337467600 366155524 /nfs/dbraw/zinc/15/55/24/366155524.db2.gz UOIZYSODTPUIGH-CQSZACIVSA-N 1 2 258.365 2.161 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337467600 366155528 /nfs/dbraw/zinc/15/55/28/366155528.db2.gz UOIZYSODTPUIGH-CQSZACIVSA-N 1 2 258.365 2.161 20 30 CEEDLO C=CC[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000337610400 366165793 /nfs/dbraw/zinc/16/57/93/366165793.db2.gz VPONZLRWXOKXQS-WCQYABFASA-N 1 2 276.384 2.333 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000337683858 366169085 /nfs/dbraw/zinc/16/90/85/366169085.db2.gz OVFRJKHCABPYRB-UHFFFAOYSA-N 1 2 250.386 2.287 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933854 540049826 /nfs/dbraw/zinc/04/98/26/540049826.db2.gz DANIQVXDWWIBGA-MLGOLLRUSA-N 1 2 284.359 2.299 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669933854 540049830 /nfs/dbraw/zinc/04/98/30/540049830.db2.gz DANIQVXDWWIBGA-MLGOLLRUSA-N 1 2 284.359 2.299 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273709029 192272381 /nfs/dbraw/zinc/27/23/81/192272381.db2.gz PLMMHVNWHWHLHM-MNOVXSKESA-N 1 2 296.440 2.310 20 30 CEEDLO Cc1csc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)n1 ZINC000133841366 366261270 /nfs/dbraw/zinc/26/12/70/366261270.db2.gz BBCMIPVVAAKELL-UHFFFAOYSA-N 1 2 288.376 2.238 20 30 CEEDLO C[N@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCCCC1 ZINC000338259321 366258710 /nfs/dbraw/zinc/25/87/10/366258710.db2.gz ZPZCGSQVHDVGEN-UHFFFAOYSA-N 1 2 291.317 2.213 20 30 CEEDLO C[N@@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCCCC1 ZINC000338259321 366258714 /nfs/dbraw/zinc/25/87/14/366258714.db2.gz ZPZCGSQVHDVGEN-UHFFFAOYSA-N 1 2 291.317 2.213 20 30 CEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000577843877 366404518 /nfs/dbraw/zinc/40/45/18/366404518.db2.gz OXAGUGZLCIXCKD-UHFFFAOYSA-N 1 2 298.371 2.359 20 30 CEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000577843877 366404525 /nfs/dbraw/zinc/40/45/25/366404525.db2.gz OXAGUGZLCIXCKD-UHFFFAOYSA-N 1 2 298.371 2.359 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCOCC23CCC3)ccc1F ZINC000135533294 366450344 /nfs/dbraw/zinc/45/03/44/366450344.db2.gz SCKLMBOCEJNOPZ-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCOCC23CCC3)ccc1F ZINC000135533294 366450349 /nfs/dbraw/zinc/45/03/49/366450349.db2.gz SCKLMBOCEJNOPZ-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000079942409 363635172 /nfs/dbraw/zinc/63/51/72/363635172.db2.gz QNZBXFWALOSUKI-LBPRGKRZSA-N 1 2 291.420 2.114 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000079942409 363635174 /nfs/dbraw/zinc/63/51/74/363635174.db2.gz QNZBXFWALOSUKI-LBPRGKRZSA-N 1 2 291.420 2.114 20 30 CEEDLO CCOC1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000297499494 200210992 /nfs/dbraw/zinc/21/09/92/200210992.db2.gz UUTGRSIJJAFALG-UHFFFAOYSA-N 1 2 296.374 2.179 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCSC ZINC000138272324 366551987 /nfs/dbraw/zinc/55/19/87/366551987.db2.gz JKGJYYIYBSPVAQ-CYBMUJFWSA-N 1 2 278.377 2.067 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCSC ZINC000138272324 366551990 /nfs/dbraw/zinc/55/19/90/366551990.db2.gz JKGJYYIYBSPVAQ-CYBMUJFWSA-N 1 2 278.377 2.067 20 30 CEEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000578752869 366543301 /nfs/dbraw/zinc/54/33/01/366543301.db2.gz PNZLBCKVQMCAIE-LBPRGKRZSA-N 1 2 252.321 2.332 20 30 CEEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000578752869 366543309 /nfs/dbraw/zinc/54/33/09/366543309.db2.gz PNZLBCKVQMCAIE-LBPRGKRZSA-N 1 2 252.321 2.332 20 30 CEEDLO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]CCC#N)C1=O ZINC000578880467 366560523 /nfs/dbraw/zinc/56/05/23/366560523.db2.gz GYIMTHUWYMLXJC-WFASDCNBSA-N 1 2 289.354 2.381 20 30 CEEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(O)c1 ZINC000341810072 216115151 /nfs/dbraw/zinc/11/51/51/216115151.db2.gz KIXRNKXMLBYCQT-ZBEGNZNMSA-N 1 2 295.342 2.141 20 30 CEEDLO C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512250 363721414 /nfs/dbraw/zinc/72/14/14/363721414.db2.gz ZYWXOEUPUQBXPH-CYBMUJFWSA-N 1 2 292.404 2.206 20 30 CEEDLO C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512250 363721417 /nfs/dbraw/zinc/72/14/17/363721417.db2.gz ZYWXOEUPUQBXPH-CYBMUJFWSA-N 1 2 292.404 2.206 20 30 CEEDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000342106230 216220181 /nfs/dbraw/zinc/22/01/81/216220181.db2.gz WEIKFLREGMOPEO-UHFFFAOYSA-N 1 2 274.299 2.414 20 30 CEEDLO C#CCCCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000179719555 189216076 /nfs/dbraw/zinc/21/60/76/189216076.db2.gz IDOKFXSEQFIYJH-UHFFFAOYSA-N 1 2 282.347 2.077 20 30 CEEDLO C=CCSCCNC(=O)Nc1cc[nH+]cc1C ZINC000179866935 189224719 /nfs/dbraw/zinc/22/47/19/189224719.db2.gz DPZXRVFUJWJEPZ-UHFFFAOYSA-N 1 2 251.355 2.431 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180510817 189260051 /nfs/dbraw/zinc/26/00/51/189260051.db2.gz XMBCIBGSMXIJAT-SECBINFHSA-N 1 2 286.297 2.226 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180510817 189260052 /nfs/dbraw/zinc/26/00/52/189260052.db2.gz XMBCIBGSMXIJAT-SECBINFHSA-N 1 2 286.297 2.226 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000677479554 541018367 /nfs/dbraw/zinc/01/83/67/541018367.db2.gz PIOUSCUQGCRTFG-ZDUSSCGKSA-N 1 2 275.396 2.211 20 30 CEEDLO CCC#C[C@H](C)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000677479554 541018368 /nfs/dbraw/zinc/01/83/68/541018368.db2.gz PIOUSCUQGCRTFG-ZDUSSCGKSA-N 1 2 275.396 2.211 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000339581946 366708654 /nfs/dbraw/zinc/70/86/54/366708654.db2.gz OLDSVOFBHVTZBS-UHFFFAOYSA-N 1 2 295.371 2.490 20 30 CEEDLO CC#CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000579925725 366722591 /nfs/dbraw/zinc/72/25/91/366722591.db2.gz FQJLGQJJLVMJOO-HNNXBMFYSA-N 1 2 296.374 2.174 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC(C)(C)CC1 ZINC000580718025 366780046 /nfs/dbraw/zinc/78/00/46/366780046.db2.gz NJMFPHBQSJYPCW-HNNXBMFYSA-N 1 2 265.401 2.163 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)nc1 ZINC000581644086 366803855 /nfs/dbraw/zinc/80/38/55/366803855.db2.gz ZSAOZMMBEUSOOP-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CCc1ccc(CNC(=O)C[NH2+][C@@H](CC)CC#N)s1 ZINC000581437134 366784094 /nfs/dbraw/zinc/78/40/94/366784094.db2.gz BOFINNSLGDFRAU-NSHDSACASA-N 1 2 279.409 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2.446 20 30 CEEDLO CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000093317392 364164579 /nfs/dbraw/zinc/16/45/79/364164579.db2.gz MPKOVXIXVNGAFZ-UHFFFAOYSA-N 1 2 295.770 2.118 20 30 CEEDLO CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000093317392 364164583 /nfs/dbraw/zinc/16/45/83/364164583.db2.gz MPKOVXIXVNGAFZ-UHFFFAOYSA-N 1 2 295.770 2.118 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)C1CCCCC1)C[C@H](C)C#N ZINC000157641779 366847338 /nfs/dbraw/zinc/84/73/38/366847338.db2.gz LUCFCKPBDOWJMZ-CYBMUJFWSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[N@H+](CC(=O)N(C)C1CCCCC1)C[C@H](C)C#N ZINC000157641779 366847343 /nfs/dbraw/zinc/84/73/43/366847343.db2.gz LUCFCKPBDOWJMZ-CYBMUJFWSA-N 1 2 265.401 2.259 20 30 CEEDLO C=C(Br)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000158269833 366854611 /nfs/dbraw/zinc/85/46/11/366854611.db2.gz YLXXQOZVCXNMOI-IJLUTSLNSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(Br)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000158269833 366854617 /nfs/dbraw/zinc/85/46/17/366854617.db2.gz 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IDKCKRNRNUJOGV-CVEARBPZSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2nc3ccccc3nc2C)nn1 ZINC000639276394 371178676 /nfs/dbraw/zinc/17/86/76/371178676.db2.gz XTMLCXMHGCKEJM-UHFFFAOYSA-N 1 2 294.362 2.006 20 30 CEEDLO CC#CCCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000361293611 371764239 /nfs/dbraw/zinc/76/42/39/371764239.db2.gz BWDHWKRZFRYBHX-UHFFFAOYSA-N 1 2 288.395 2.140 20 30 CEEDLO Cc1nc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)cs1 ZINC000361496198 371878575 /nfs/dbraw/zinc/87/85/75/371878575.db2.gz JTVFQNGQSUELOH-UHFFFAOYSA-N 1 2 260.366 2.294 20 30 CEEDLO Cc1nc(C[N@H+](C)Cc2cc(C#N)n(C)c2)cs1 ZINC000361496198 371878583 /nfs/dbraw/zinc/87/85/83/371878583.db2.gz JTVFQNGQSUELOH-UHFFFAOYSA-N 1 2 260.366 2.294 20 30 CEEDLO C=C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000264423934 371994197 /nfs/dbraw/zinc/99/41/97/371994197.db2.gz AVCPFVKIXBNQRE-CQSZACIVSA-N 1 2 275.396 2.370 20 30 CEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccccc1 ZINC000361766134 372061065 /nfs/dbraw/zinc/06/10/65/372061065.db2.gz MINAINFFKUOCKZ-AWEZNQCLSA-N 1 2 272.392 2.273 20 30 CEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccccc1 ZINC000361766134 372061067 /nfs/dbraw/zinc/06/10/67/372061067.db2.gz MINAINFFKUOCKZ-AWEZNQCLSA-N 1 2 272.392 2.273 20 30 CEEDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000361841794 372094612 /nfs/dbraw/zinc/09/46/12/372094612.db2.gz GNMJALNUXLDWTB-SFHVURJKSA-N 1 2 297.402 2.162 20 30 CEEDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000361841794 372094619 /nfs/dbraw/zinc/09/46/19/372094619.db2.gz GNMJALNUXLDWTB-SFHVURJKSA-N 1 2 297.402 2.162 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)cc(C)c2)nn1 ZINC000640834901 372161637 /nfs/dbraw/zinc/16/16/37/372161637.db2.gz VVHZJKLMDASDDX-UHFFFAOYSA-N 1 2 268.364 2.056 20 30 CEEDLO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)o3)cn2c1 ZINC000344231454 217108964 /nfs/dbraw/zinc/10/89/64/217108964.db2.gz ZLEAHTOHHSZCNP-UHFFFAOYSA-N 1 2 266.304 2.397 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(F)ccc2Cl)nn1 ZINC000640947261 372192119 /nfs/dbraw/zinc/19/21/19/372192119.db2.gz DVQKBRIOYGQSPZ-UHFFFAOYSA-N 1 2 292.745 2.232 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Cl)c(F)c2)nn1 ZINC000640953209 372194802 /nfs/dbraw/zinc/19/48/02/372194802.db2.gz KQXMADAPYYWGJE-UHFFFAOYSA-N 1 2 292.745 2.232 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2c(F)cccc2F)nn1 ZINC000640987699 372201344 /nfs/dbraw/zinc/20/13/44/372201344.db2.gz WWQWRPMJRVEREU-LLVKDONJSA-N 1 2 290.317 2.279 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000641150863 372347961 /nfs/dbraw/zinc/34/79/61/372347961.db2.gz ACUNDPDQKGUMBO-RDJZCZTQSA-N 1 2 280.375 2.195 20 30 CEEDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000365271680 372816652 /nfs/dbraw/zinc/81/66/52/372816652.db2.gz HAPLUSCENLKUIF-HNNXBMFYSA-N 1 2 292.354 2.323 20 30 CEEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000365271680 372816662 /nfs/dbraw/zinc/81/66/62/372816662.db2.gz HAPLUSCENLKUIF-HNNXBMFYSA-N 1 2 292.354 2.323 20 30 CEEDLO C#CC[N@@H+](Cc1c(Cl)n(C)nc1CC)C1CC1 ZINC000274076807 373803505 /nfs/dbraw/zinc/80/35/05/373803505.db2.gz GJPLZGKKVIYINS-UHFFFAOYSA-N 1 2 251.761 2.234 20 30 CEEDLO C#CC[N@H+](Cc1c(Cl)n(C)nc1CC)C1CC1 ZINC000274076807 373803513 /nfs/dbraw/zinc/80/35/13/373803513.db2.gz GJPLZGKKVIYINS-UHFFFAOYSA-N 1 2 251.761 2.234 20 30 CEEDLO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371785965 373979601 /nfs/dbraw/zinc/97/96/01/373979601.db2.gz XMFRCMWVTHQBCH-JKSUJKDBSA-N 1 2 285.391 2.283 20 30 CEEDLO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371785965 373979606 /nfs/dbraw/zinc/97/96/06/373979606.db2.gz XMFRCMWVTHQBCH-JKSUJKDBSA-N 1 2 285.391 2.283 20 30 CEEDLO CC(C)[C@@H](NC(=O)COc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000276679091 374263452 /nfs/dbraw/zinc/26/34/52/374263452.db2.gz VVVYXBPWRCTENK-OAHLLOKOSA-N 1 2 298.346 2.174 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](C2CC2)O1 ZINC000373476127 374360717 /nfs/dbraw/zinc/36/07/17/374360717.db2.gz VAKRJJGCLGANGC-MLGOLLRUSA-N 1 2 296.374 2.205 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](C2CC2)O1 ZINC000373476127 374360727 /nfs/dbraw/zinc/36/07/27/374360727.db2.gz VAKRJJGCLGANGC-MLGOLLRUSA-N 1 2 296.374 2.205 20 30 CEEDLO Fc1cncc(N2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000277097619 374402609 /nfs/dbraw/zinc/40/26/09/374402609.db2.gz ZOMWAYZZRGINFA-UHFFFAOYSA-N 1 2 295.361 2.394 20 30 CEEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000373566746 374381293 /nfs/dbraw/zinc/38/12/93/374381293.db2.gz FEMCQEWVJNIYQC-KGLIPLIRSA-N 1 2 286.379 2.034 20 30 CEEDLO CC[N@H+](CC#Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000277043829 374387314 /nfs/dbraw/zinc/38/73/14/374387314.db2.gz UFFFDFJZFYUDSB-CYBMUJFWSA-N 1 2 271.282 2.283 20 30 CEEDLO CC[N@@H+](CC#Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000277043829 374387316 /nfs/dbraw/zinc/38/73/16/374387316.db2.gz UFFFDFJZFYUDSB-CYBMUJFWSA-N 1 2 271.282 2.283 20 30 CEEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[S@@](=O)C1 ZINC000277450799 374524261 /nfs/dbraw/zinc/52/42/61/374524261.db2.gz LVYILRWTWOKWOF-ORAYPTAESA-N 1 2 295.835 2.392 20 30 CEEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[S@@](=O)C1 ZINC000277450799 374524266 /nfs/dbraw/zinc/52/42/66/374524266.db2.gz LVYILRWTWOKWOF-ORAYPTAESA-N 1 2 295.835 2.392 20 30 CEEDLO C#CCCCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000277697509 374614942 /nfs/dbraw/zinc/61/49/42/374614942.db2.gz GGCLFENPJQQDMA-AWEZNQCLSA-N 1 2 288.395 2.043 20 30 CEEDLO C#CCCCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000277697509 374614949 /nfs/dbraw/zinc/61/49/49/374614949.db2.gz GGCLFENPJQQDMA-AWEZNQCLSA-N 1 2 288.395 2.043 20 30 CEEDLO C=CCCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000279853684 375012029 /nfs/dbraw/zinc/01/20/29/375012029.db2.gz DNOPVQPNFQEFRN-UHFFFAOYSA-N 1 2 285.351 2.033 20 30 CEEDLO CCc1cnc(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000399528875 375366333 /nfs/dbraw/zinc/36/63/33/375366333.db2.gz TVDYLELEDLOFPM-UHFFFAOYSA-N 1 2 258.350 2.315 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCCC2 ZINC000414142037 375798479 /nfs/dbraw/zinc/79/84/79/375798479.db2.gz MNNBBFYUGUTMKT-INIZCTEOSA-N 1 2 288.391 2.151 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCCC2 ZINC000414142037 375798483 /nfs/dbraw/zinc/79/84/83/375798483.db2.gz MNNBBFYUGUTMKT-INIZCTEOSA-N 1 2 288.391 2.151 20 30 CEEDLO C=CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264228876 190097767 /nfs/dbraw/zinc/09/77/67/190097767.db2.gz KOCJLBPHGCKPFZ-ZDUSSCGKSA-N 1 2 289.379 2.387 20 30 CEEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(C#N)n(C)c2)n1 ZINC000289938562 376569859 /nfs/dbraw/zinc/56/98/59/376569859.db2.gz XAGLEOVEFFYXTC-AWEZNQCLSA-N 1 2 285.351 2.315 20 30 CEEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)n(C)c2)n1 ZINC000289938562 376569864 /nfs/dbraw/zinc/56/98/64/376569864.db2.gz XAGLEOVEFFYXTC-AWEZNQCLSA-N 1 2 285.351 2.315 20 30 CEEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC#N ZINC000420920713 376737933 /nfs/dbraw/zinc/73/79/33/376737933.db2.gz BNMOGEXAQQVWLT-VXGBXAGGSA-N 1 2 252.358 2.342 20 30 CEEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCC#N ZINC000420920713 376737939 /nfs/dbraw/zinc/73/79/39/376737939.db2.gz BNMOGEXAQQVWLT-VXGBXAGGSA-N 1 2 252.358 2.342 20 30 CEEDLO O=C(NCC1(C2CC2)CCC1)N1CCn2cc[nH+]c2C1 ZINC000328664062 376874833 /nfs/dbraw/zinc/87/48/33/376874833.db2.gz YIOINBCEZPBSBS-UHFFFAOYSA-N 1 2 274.368 2.193 20 30 CEEDLO CC[C@H](C(=O)NC[C@H]1CCCCO1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328774586 376895126 /nfs/dbraw/zinc/89/51/26/376895126.db2.gz KHEXJRHDTXHLTJ-RBSFLKMASA-N 1 2 298.427 2.401 20 30 CEEDLO CC[C@H](C(=O)NC[C@H]1CCCCO1)[N@H+]1CCO[C@H](CC)C1 ZINC000328774586 376895133 /nfs/dbraw/zinc/89/51/33/376895133.db2.gz KHEXJRHDTXHLTJ-RBSFLKMASA-N 1 2 298.427 2.401 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@H](C2CC2)C1 ZINC000328935442 376923718 /nfs/dbraw/zinc/92/37/18/376923718.db2.gz QJWJZPLSEUYXBY-KBPBESRZSA-N 1 2 288.395 2.406 20 30 CEEDLO Cc1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c(C)c[nH+]1 ZINC000562596228 376940523 /nfs/dbraw/zinc/94/05/23/376940523.db2.gz NODZOGDYIOQAIK-STQMWFEESA-N 1 2 272.352 2.324 20 30 CEEDLO Cc1csc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)n1 ZINC000329319660 376944708 /nfs/dbraw/zinc/94/47/08/376944708.db2.gz TVYCOUMLGXEPEO-UHFFFAOYSA-N 1 2 281.381 2.152 20 30 CEEDLO Cc1csc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)n1 ZINC000329319660 376944714 /nfs/dbraw/zinc/94/47/14/376944714.db2.gz TVYCOUMLGXEPEO-UHFFFAOYSA-N 1 2 281.381 2.152 20 30 CEEDLO Cc1cncc(CNC(=O)C2([NH+]3CCOCC3)CCC2)c1 ZINC000329355335 376951258 /nfs/dbraw/zinc/95/12/58/376951258.db2.gz YUXNLKQKIRKHFA-UHFFFAOYSA-N 1 2 289.379 2.101 20 30 CEEDLO Cc1occc1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563154511 377108882 /nfs/dbraw/zinc/10/88/82/377108882.db2.gz PFTYGASICCAIMP-UHFFFAOYSA-N 1 2 281.319 2.134 20 30 CEEDLO Cc1occc1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563154511 377108885 /nfs/dbraw/zinc/10/88/85/377108885.db2.gz PFTYGASICCAIMP-UHFFFAOYSA-N 1 2 281.319 2.134 20 30 CEEDLO CC(C)C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330176038 377065064 /nfs/dbraw/zinc/06/50/64/377065064.db2.gz CAFOOGDGZQEPQI-UONOGXRCSA-N 1 2 290.411 2.480 20 30 CEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)C2=CCCC2)no1 ZINC000331001263 377232288 /nfs/dbraw/zinc/23/22/88/377232288.db2.gz XBFFMZYBWHWWCR-UHFFFAOYSA-N 1 2 278.356 2.433 20 30 CEEDLO CCCCCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331016963 377241222 /nfs/dbraw/zinc/24/12/22/377241222.db2.gz HSBQKRMHAYBSIT-ZDUSSCGKSA-N 1 2 293.415 2.193 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291682008 377205170 /nfs/dbraw/zinc/20/51/70/377205170.db2.gz GYCPUBSRCIQADK-SNVBAGLBSA-N 1 2 256.147 2.039 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291682008 377205178 /nfs/dbraw/zinc/20/51/78/377205178.db2.gz GYCPUBSRCIQADK-SNVBAGLBSA-N 1 2 256.147 2.039 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000424061684 377272148 /nfs/dbraw/zinc/27/21/48/377272148.db2.gz FYKSAHMIYCVLHS-CYBMUJFWSA-N 1 2 297.362 2.157 20 30 CEEDLO COCC(C)(C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000426401385 377403231 /nfs/dbraw/zinc/40/32/31/377403231.db2.gz OZJJKEVJPNELTI-UHFFFAOYSA-N 1 2 261.369 2.470 20 30 CEEDLO COCC(C)(C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000426401385 377403234 /nfs/dbraw/zinc/40/32/34/377403234.db2.gz OZJJKEVJPNELTI-UHFFFAOYSA-N 1 2 261.369 2.470 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000426551853 377417775 /nfs/dbraw/zinc/41/77/75/377417775.db2.gz IAUYPAFYGCOUGB-MRXNPFEDSA-N 1 2 283.379 2.262 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000426551853 377417791 /nfs/dbraw/zinc/41/77/91/377417791.db2.gz IAUYPAFYGCOUGB-MRXNPFEDSA-N 1 2 283.379 2.262 20 30 CEEDLO C=CCC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000564866844 377484250 /nfs/dbraw/zinc/48/42/50/377484250.db2.gz OIEZPGMTRBMYOS-UHFFFAOYSA-N 1 2 299.374 2.323 20 30 CEEDLO N#C[C@H](CCc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000433099695 377780627 /nfs/dbraw/zinc/78/06/27/377780627.db2.gz BLZIUTSXVLAHEU-INIZCTEOSA-N 1 2 296.374 2.162 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000566428795 377759906 /nfs/dbraw/zinc/75/99/06/377759906.db2.gz KMZKVHHUOKNOBU-SNVBAGLBSA-N 1 2 267.279 2.185 20 30 CEEDLO C=CCCCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000566463451 377762153 /nfs/dbraw/zinc/76/21/53/377762153.db2.gz DBNOLBLEOPFWDR-MRXNPFEDSA-N 1 2 294.439 2.492 20 30 CEEDLO C=CCCCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000566463451 377762157 /nfs/dbraw/zinc/76/21/57/377762157.db2.gz DBNOLBLEOPFWDR-MRXNPFEDSA-N 1 2 294.439 2.492 20 30 CEEDLO Cc1cc(N2CCC(N3CCCCC3=O)CC2)c(C#N)c[nH+]1 ZINC000333389779 377763876 /nfs/dbraw/zinc/76/38/76/377763876.db2.gz CRYSRAOAAJOKAS-UHFFFAOYSA-N 1 2 298.390 2.243 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCS(=O)(=O)C1 ZINC000434533304 377798729 /nfs/dbraw/zinc/79/87/29/377798729.db2.gz ACEJFPMCGWWNRZ-CYBMUJFWSA-N 1 2 297.395 2.248 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCS(=O)(=O)C1 ZINC000434533304 377798735 /nfs/dbraw/zinc/79/87/35/377798735.db2.gz ACEJFPMCGWWNRZ-CYBMUJFWSA-N 1 2 297.395 2.248 20 30 CEEDLO Cc1nocc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000294847186 378024121 /nfs/dbraw/zinc/02/41/21/378024121.db2.gz INFMOWMOASHKCT-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nn(CC)nc1C ZINC000295422571 378149045 /nfs/dbraw/zinc/14/90/45/378149045.db2.gz NYPGQCBQOWUDML-UHFFFAOYSA-N 1 2 274.368 2.430 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1nn(CC)nc1C ZINC000295422571 378149048 /nfs/dbraw/zinc/14/90/48/378149048.db2.gz NYPGQCBQOWUDML-UHFFFAOYSA-N 1 2 274.368 2.430 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449013815 378196148 /nfs/dbraw/zinc/19/61/48/378196148.db2.gz FKBODTKWDOQICU-QWHCGFSZSA-N 1 2 294.420 2.285 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449013815 378196153 /nfs/dbraw/zinc/19/61/53/378196153.db2.gz FKBODTKWDOQICU-QWHCGFSZSA-N 1 2 294.420 2.285 20 30 CEEDLO C=CCC[C@@H](NCc1cccc2[nH+]ccn21)C(=O)OCC ZINC000449658067 378219087 /nfs/dbraw/zinc/21/90/87/378219087.db2.gz RZBSZFAIZQDSNJ-CQSZACIVSA-N 1 2 287.363 2.322 20 30 CEEDLO N#C[C@@H]1[N@H+](CC2CCOCC2)CCC[C@@]12CCCCO2 ZINC000447901349 378157231 /nfs/dbraw/zinc/15/72/31/378157231.db2.gz GNUZGGVHMSPASS-HOTGVXAUSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@@H]1[N@@H+](CC2CCOCC2)CCC[C@@]12CCCCO2 ZINC000447901349 378157235 /nfs/dbraw/zinc/15/72/35/378157235.db2.gz GNUZGGVHMSPASS-HOTGVXAUSA-N 1 2 278.396 2.340 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450111672 378297129 /nfs/dbraw/zinc/29/71/29/378297129.db2.gz HZSDEUCHOVWVNN-CYBMUJFWSA-N 1 2 260.337 2.274 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295966628 378374225 /nfs/dbraw/zinc/37/42/25/378374225.db2.gz SCGKXXJZZRCNJF-STQMWFEESA-N 1 2 291.395 2.311 20 30 CEEDLO N#CC1(C[N@@H+](CCC2CCCCC2)CC(N)=O)CCC1 ZINC000450358361 378374229 /nfs/dbraw/zinc/37/42/29/378374229.db2.gz SBAPLPJKGBBLGG-UHFFFAOYSA-N 1 2 277.412 2.438 20 30 CEEDLO N#CC1(C[N@H+](CCC2CCCCC2)CC(N)=O)CCC1 ZINC000450358361 378374233 /nfs/dbraw/zinc/37/42/33/378374233.db2.gz SBAPLPJKGBBLGG-UHFFFAOYSA-N 1 2 277.412 2.438 20 30 CEEDLO N#CC1(CN2CC[NH+](Cc3cccc(O)c3)CC2)CCC1 ZINC000450570863 378481817 /nfs/dbraw/zinc/48/18/17/378481817.db2.gz QHUWEPVTOXHUIU-UHFFFAOYSA-N 1 2 285.391 2.204 20 30 CEEDLO C=CC[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296355891 378501705 /nfs/dbraw/zinc/50/17/05/378501705.db2.gz IXWVDBSLKWXMHK-VXGBXAGGSA-N 1 2 276.384 2.477 20 30 CEEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000298419691 378720560 /nfs/dbraw/zinc/72/05/60/378720560.db2.gz KMGKIGMEBRIAKO-UHFFFAOYSA-N 1 2 294.358 2.402 20 30 CEEDLO CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccc(C#N)cc1 ZINC000278778720 194151393 /nfs/dbraw/zinc/15/13/93/194151393.db2.gz PQQYLQYACADNSB-RISCZKNCSA-N 1 2 269.352 2.489 20 30 CEEDLO N#Cc1ccc(F)c(CNc2nc[nH+]c(N)c2Cl)c1 ZINC000302884235 379472195 /nfs/dbraw/zinc/47/21/95/379472195.db2.gz KEYTWZBOOUXOKF-UHFFFAOYSA-N 1 2 277.690 2.335 20 30 CEEDLO N#Cc1ccc(F)c(CNc2[nH+]cnc(N)c2Cl)c1 ZINC000302884235 379472198 /nfs/dbraw/zinc/47/21/98/379472198.db2.gz KEYTWZBOOUXOKF-UHFFFAOYSA-N 1 2 277.690 2.335 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1Br ZINC000266906478 190289204 /nfs/dbraw/zinc/28/92/04/190289204.db2.gz HZNGUPJKNZOWSG-UHFFFAOYSA-N 1 2 295.180 2.343 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1Br ZINC000266906478 190289205 /nfs/dbraw/zinc/28/92/05/190289205.db2.gz HZNGUPJKNZOWSG-UHFFFAOYSA-N 1 2 295.180 2.343 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000266949817 190293067 /nfs/dbraw/zinc/29/30/67/190293067.db2.gz TVSURQGOHTXMQW-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000266949817 190293068 /nfs/dbraw/zinc/29/30/68/190293068.db2.gz TVSURQGOHTXMQW-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334355998 380295329 /nfs/dbraw/zinc/29/53/29/380295329.db2.gz LZDMXDQOMFVRKJ-XHDPSFHLSA-N 1 2 275.327 2.319 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334355998 380295332 /nfs/dbraw/zinc/29/53/32/380295332.db2.gz LZDMXDQOMFVRKJ-XHDPSFHLSA-N 1 2 275.327 2.319 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000542690123 380306999 /nfs/dbraw/zinc/30/69/99/380306999.db2.gz HGXMPKZXSITJGP-MRVPVSSYSA-N 1 2 284.262 2.266 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000491363069 380310594 /nfs/dbraw/zinc/31/05/94/380310594.db2.gz XJQALXKDCRXCMU-KCQAQPDRSA-N 1 2 256.349 2.117 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000491363069 380310599 /nfs/dbraw/zinc/31/05/99/380310599.db2.gz XJQALXKDCRXCMU-KCQAQPDRSA-N 1 2 256.349 2.117 20 30 CEEDLO C=C[C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000334498435 380487866 /nfs/dbraw/zinc/48/78/66/380487866.db2.gz KYJZVJKDVVIRGN-WDEREUQCSA-N 1 2 262.357 2.087 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860040 380712299 /nfs/dbraw/zinc/71/22/99/380712299.db2.gz 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/nfs/dbraw/zinc/05/37/26/335053726.db2.gz CRDMCQABPBCTBR-DUXPYHPUSA-N 1 2 257.337 2.481 20 30 CEEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512253 177802862 /nfs/dbraw/zinc/80/28/62/177802862.db2.gz CMNXPTOABPYXCP-UHFFFAOYSA-N 1 2 292.404 2.230 20 30 CEEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512253 177802863 /nfs/dbraw/zinc/80/28/63/177802863.db2.gz CMNXPTOABPYXCP-UHFFFAOYSA-N 1 2 292.404 2.230 20 30 CEEDLO COCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000189658709 130005391 /nfs/dbraw/zinc/00/53/91/130005391.db2.gz DYQWCFSGOXKJSS-HNNXBMFYSA-N 1 2 294.782 2.449 20 30 CEEDLO COCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000189658709 130005392 /nfs/dbraw/zinc/00/53/92/130005392.db2.gz DYQWCFSGOXKJSS-HNNXBMFYSA-N 1 2 294.782 2.449 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413270817 394516992 /nfs/dbraw/zinc/51/69/92/394516992.db2.gz PKOLWJFXHCJANI-MCIONIFRSA-N 1 2 290.411 2.450 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413270817 394516995 /nfs/dbraw/zinc/51/69/95/394516995.db2.gz PKOLWJFXHCJANI-MCIONIFRSA-N 1 2 290.411 2.450 20 30 CEEDLO N#Cc1cnc(NCc2[nH+]ccn2CC(F)(F)F)c(F)c1 ZINC000413117612 394485130 /nfs/dbraw/zinc/48/51/30/394485130.db2.gz JNOLJEUUDXDIHX-UHFFFAOYSA-N 1 2 299.231 2.463 20 30 CEEDLO Cn1cc[nH+]c1CNc1cc(C(F)(F)F)cnc1C#N ZINC000413118355 394486489 /nfs/dbraw/zinc/48/64/89/394486489.db2.gz LDBIMVFEUWLMNT-UHFFFAOYSA-N 1 2 281.241 2.318 20 30 CEEDLO CO[C@@H]1CCC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000328988174 394559941 /nfs/dbraw/zinc/55/99/41/394559941.db2.gz HNTHXXMHADXOCU-ZIAGYGMSSA-N 1 2 296.411 2.013 20 30 CEEDLO O=C(NCc1[nH]cc[nH+]1)Nc1cnc2c(c1)CCCC2 ZINC000329474397 394565716 /nfs/dbraw/zinc/56/57/16/394565716.db2.gz SVGBCSGOBFYWFJ-UHFFFAOYSA-N 1 2 271.324 2.210 20 30 CEEDLO C[C@@H]1C[C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)CO1 ZINC000329916462 394594271 /nfs/dbraw/zinc/59/42/71/394594271.db2.gz DSNQJDRWAAYBIS-GHMZBOCLSA-N 1 2 263.341 2.101 20 30 CEEDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329725311 394581810 /nfs/dbraw/zinc/58/18/10/394581810.db2.gz GEWCVWOFKGLZAY-GUTXKFCHSA-N 1 2 289.379 2.360 20 30 CEEDLO Cc1nnc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n1C ZINC000329760493 394583662 /nfs/dbraw/zinc/58/36/62/394583662.db2.gz QFKCDAXKVZDERI-LLVKDONJSA-N 1 2 299.378 2.158 20 30 CEEDLO Cc1nnc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)n1C ZINC000329760493 394583664 /nfs/dbraw/zinc/58/36/64/394583664.db2.gz QFKCDAXKVZDERI-LLVKDONJSA-N 1 2 299.378 2.158 20 30 CEEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000329756836 394583823 /nfs/dbraw/zinc/58/38/23/394583823.db2.gz YYKLBWMTCRTDIU-SNVBAGLBSA-N 1 2 262.357 2.055 20 30 CEEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000329756836 394583827 /nfs/dbraw/zinc/58/38/27/394583827.db2.gz YYKLBWMTCRTDIU-SNVBAGLBSA-N 1 2 262.357 2.055 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cc1ccnn1C)CCC2 ZINC000329890766 394591835 /nfs/dbraw/zinc/59/18/35/394591835.db2.gz GTILJCAKFKFEGS-GFCCVEGCSA-N 1 2 287.367 2.002 20 30 CEEDLO CSC1(C/[NH+]=C/c2cccc(O)c2O)CCOCC1 ZINC000266057287 394657977 /nfs/dbraw/zinc/65/79/77/394657977.db2.gz YHQLBBYTQCBGEH-OQLLNIDSSA-N 1 2 281.377 2.429 20 30 CEEDLO CC(C)[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)c1[nH]cc[nH+]1 ZINC000330421172 394608056 /nfs/dbraw/zinc/60/80/56/394608056.db2.gz GWSFCACZTFPPJC-LLVKDONJSA-N 1 2 290.371 2.458 20 30 CEEDLO N#CCC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000334250722 394668226 /nfs/dbraw/zinc/66/82/26/394668226.db2.gz UTLXUXSTPQGGOD-UHFFFAOYSA-N 1 2 268.320 2.100 20 30 CEEDLO CCC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCOCC1 ZINC000266775931 394668786 /nfs/dbraw/zinc/66/87/86/394668786.db2.gz ZJPQJKMSWKYYOK-CXUHLZMHSA-N 1 2 279.336 2.429 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000266761748 394668845 /nfs/dbraw/zinc/66/88/45/394668845.db2.gz TWGBYXCHIGAHJV-UHFFFAOYSA-N 1 2 277.412 2.449 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000266761748 394668848 /nfs/dbraw/zinc/66/88/48/394668848.db2.gz TWGBYXCHIGAHJV-UHFFFAOYSA-N 1 2 277.412 2.449 20 30 CEEDLO CN(C)C(=O)[C@H]1CCC[C@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265140121 394646384 /nfs/dbraw/zinc/64/63/84/394646384.db2.gz NFHRAHLLNLJOFP-TYKDEMCSSA-N 1 2 290.363 2.164 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000265362821 394648222 /nfs/dbraw/zinc/64/82/22/394648222.db2.gz MLRZUOBHMUFHIN-CXAGYDPISA-N 1 2 296.374 2.465 20 30 CEEDLO N#CCc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000270379506 394732818 /nfs/dbraw/zinc/73/28/18/394732818.db2.gz XVTWUCWDJVVTNV-UHFFFAOYSA-N 1 2 294.358 2.496 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334406579 394683012 /nfs/dbraw/zinc/68/30/12/394683012.db2.gz GUIKDEGBUQFEGV-TZMCWYRMSA-N 1 2 281.375 2.151 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334406579 394683017 /nfs/dbraw/zinc/68/30/17/394683017.db2.gz GUIKDEGBUQFEGV-TZMCWYRMSA-N 1 2 281.375 2.151 20 30 CEEDLO CC[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000119251411 394766426 /nfs/dbraw/zinc/76/64/26/394766426.db2.gz UJMYZCKNDISYEJ-LLVKDONJSA-N 1 2 298.390 2.445 20 30 CEEDLO C#CCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000362321407 394852593 /nfs/dbraw/zinc/85/25/93/394852593.db2.gz UYXRGZOXIHQUHD-UHFFFAOYSA-N 1 2 282.347 2.077 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC)C(=O)OC ZINC000285115564 394953349 /nfs/dbraw/zinc/95/33/49/394953349.db2.gz MWKXACJTUAJMPI-GJZGRUSLSA-N 1 2 259.349 2.162 20 30 CEEDLO NC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000131886092 394921226 /nfs/dbraw/zinc/92/12/26/394921226.db2.gz UPGUTIHOSLEECQ-AWEZNQCLSA-N 1 2 276.767 2.031 20 30 CEEDLO NC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000131886092 394921228 /nfs/dbraw/zinc/92/12/28/394921228.db2.gz UPGUTIHOSLEECQ-AWEZNQCLSA-N 1 2 276.767 2.031 20 30 CEEDLO N#CCCOCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000339058958 394939267 /nfs/dbraw/zinc/93/92/67/394939267.db2.gz KPDCTCWVIUTMKQ-UHFFFAOYSA-N 1 2 269.348 2.456 20 30 CEEDLO N#CCCOCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000339058958 394939270 /nfs/dbraw/zinc/93/92/70/394939270.db2.gz KPDCTCWVIUTMKQ-UHFFFAOYSA-N 1 2 269.348 2.456 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000285494996 394957240 /nfs/dbraw/zinc/95/72/40/394957240.db2.gz MRIIYOOZQHYWPE-NSHDSACASA-N 1 2 260.765 2.292 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000285494996 394957242 /nfs/dbraw/zinc/95/72/42/394957242.db2.gz MRIIYOOZQHYWPE-NSHDSACASA-N 1 2 260.765 2.292 20 30 CEEDLO COc1cc(N[C@@H]2CCC[N@H+](CCC#N)C2)cc(OC)c1 ZINC000155115005 395025673 /nfs/dbraw/zinc/02/56/73/395025673.db2.gz PKMYNXDWKANRCK-CYBMUJFWSA-N 1 2 289.379 2.494 20 30 CEEDLO COc1cc(N[C@@H]2CCC[N@@H+](CCC#N)C2)cc(OC)c1 ZINC000155115005 395025675 /nfs/dbraw/zinc/02/56/75/395025675.db2.gz PKMYNXDWKANRCK-CYBMUJFWSA-N 1 2 289.379 2.494 20 30 CEEDLO CC#CC[N@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000339758207 394969721 /nfs/dbraw/zinc/96/97/21/394969721.db2.gz GJXJPIPMPHCVNU-OAHLLOKOSA-N 1 2 274.339 2.276 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000339758207 394969723 /nfs/dbraw/zinc/96/97/23/394969723.db2.gz GJXJPIPMPHCVNU-OAHLLOKOSA-N 1 2 274.339 2.276 20 30 CEEDLO Cc1cc(NCCCOC2CCCC2)c(C#N)c[nH+]1 ZINC000425227571 395053251 /nfs/dbraw/zinc/05/32/51/395053251.db2.gz RPHMNCPGEOYZII-UHFFFAOYSA-N 1 2 259.353 2.445 20 30 CEEDLO Cc1cc(NCCCO[C@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000425264533 395055046 /nfs/dbraw/zinc/05/50/46/395055046.db2.gz XCTGGPDMABAWER-HNNXBMFYSA-N 1 2 275.352 2.029 20 30 CEEDLO Cc1cc(NC[C@@](C)(O)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425252440 395055114 /nfs/dbraw/zinc/05/51/14/395055114.db2.gz HJKXQEBDRWUUMQ-MRXNPFEDSA-N 1 2 273.380 2.427 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373352330 395059415 /nfs/dbraw/zinc/05/94/15/395059415.db2.gz DUTWSQKETZYMPD-CYBMUJFWSA-N 1 2 275.396 2.480 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)C(C)(C)C ZINC000288854452 395067136 /nfs/dbraw/zinc/06/71/36/395067136.db2.gz MQKBOYFIKADKTG-CQSZACIVSA-N 1 2 298.390 2.490 20 30 CEEDLO C#Cc1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000289494322 395078441 /nfs/dbraw/zinc/07/84/41/395078441.db2.gz CVBTYQBSMNIIOR-CYBMUJFWSA-N 1 2 291.416 2.065 20 30 CEEDLO C#Cc1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000289494322 395078444 /nfs/dbraw/zinc/07/84/44/395078444.db2.gz CVBTYQBSMNIIOR-CYBMUJFWSA-N 1 2 291.416 2.065 20 30 CEEDLO C=CCCC(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000374378792 395081249 /nfs/dbraw/zinc/08/12/49/395081249.db2.gz UAVFEARZIOMXNJ-AWEZNQCLSA-N 1 2 274.364 2.134 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155967091 395030773 /nfs/dbraw/zinc/03/07/73/395030773.db2.gz XPOARYSQDXOGJL-CYBMUJFWSA-N 1 2 280.331 2.150 20 30 CEEDLO C#C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000372767545 395045961 /nfs/dbraw/zinc/04/59/61/395045961.db2.gz MRISQUOHKXQCIR-NSHDSACASA-N 1 2 268.320 2.230 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccccc1C#N ZINC000174219560 395121165 /nfs/dbraw/zinc/12/11/65/395121165.db2.gz RWTJFBXHTSUOPI-LBPRGKRZSA-N 1 2 275.352 2.408 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCCCSC)c1 ZINC000174212465 395121511 /nfs/dbraw/zinc/12/15/11/395121511.db2.gz PBDDAFACFGPBNN-UHFFFAOYSA-N 1 2 254.355 2.085 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000376510071 395123676 /nfs/dbraw/zinc/12/36/76/395123676.db2.gz BPXIYNVYHYZWAZ-JKSUJKDBSA-N 1 2 284.363 2.116 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000376510071 395123681 /nfs/dbraw/zinc/12/36/81/395123681.db2.gz BPXIYNVYHYZWAZ-JKSUJKDBSA-N 1 2 284.363 2.116 20 30 CEEDLO C=CCCOCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427992149 395129704 /nfs/dbraw/zinc/12/97/04/395129704.db2.gz LJQBTAGJZBOXRF-AWEZNQCLSA-N 1 2 291.395 2.077 20 30 CEEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376041978 395107778 /nfs/dbraw/zinc/10/77/78/395107778.db2.gz JJMUZEJMDMBUMW-CYBMUJFWSA-N 1 2 286.379 2.106 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(C)CC)Cc1cccs1 ZINC000349129278 395159754 /nfs/dbraw/zinc/15/97/54/395159754.db2.gz VJWLGBWNFUZCCG-UHFFFAOYSA-N 1 2 252.383 2.214 20 30 CEEDLO C=CC[N@H+](CC(=O)N(C)CC)Cc1cccs1 ZINC000349129278 395159758 /nfs/dbraw/zinc/15/97/58/395159758.db2.gz VJWLGBWNFUZCCG-UHFFFAOYSA-N 1 2 252.383 2.214 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349235857 395161907 /nfs/dbraw/zinc/16/19/07/395161907.db2.gz CHLLEHCTUABGTG-NEPJUHHUSA-N 1 2 265.357 2.138 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCOC2)O1 ZINC000428969305 395157735 /nfs/dbraw/zinc/15/77/35/395157735.db2.gz RNIVWPRIZRBWSY-MLGOLLRUSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@@]2(CCOC2)O1 ZINC000428969305 395157739 /nfs/dbraw/zinc/15/77/39/395157739.db2.gz RNIVWPRIZRBWSY-MLGOLLRUSA-N 1 2 290.338 2.077 20 30 CEEDLO COc1coc(C[N@H+](CCC#N)CC(C)(C)C)cc1=O ZINC000351598850 395229012 /nfs/dbraw/zinc/22/90/12/395229012.db2.gz OSALFULTMJRPNB-UHFFFAOYSA-N 1 2 278.352 2.410 20 30 CEEDLO COc1coc(C[N@@H+](CCC#N)CC(C)(C)C)cc1=O ZINC000351598850 395229016 /nfs/dbraw/zinc/22/90/16/395229016.db2.gz OSALFULTMJRPNB-UHFFFAOYSA-N 1 2 278.352 2.410 20 30 CEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OC2CCCC2)c1 ZINC000183261916 395254726 /nfs/dbraw/zinc/25/47/26/395254726.db2.gz FHVDGURADRYHES-UHFFFAOYSA-N 1 2 292.335 2.083 20 30 CEEDLO C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000293714579 395249448 /nfs/dbraw/zinc/24/94/48/395249448.db2.gz FBYADEOYQVCOBX-UHFFFAOYSA-N 1 2 287.335 2.281 20 30 CEEDLO C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000293714579 395249454 /nfs/dbraw/zinc/24/94/54/395249454.db2.gz FBYADEOYQVCOBX-UHFFFAOYSA-N 1 2 287.335 2.281 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nccn1C ZINC000182857507 395250450 /nfs/dbraw/zinc/25/04/50/395250450.db2.gz OKJHHJSVIKFMBA-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO N#Cc1ccc(C2([NH2+]Cc3c[nH]cn3)CCOCC2)cc1 ZINC000528778659 395295071 /nfs/dbraw/zinc/29/50/71/395295071.db2.gz LCMHUPYLQIBGND-UHFFFAOYSA-N 1 2 282.347 2.077 20 30 CEEDLO COc1cnccc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000187093247 395297670 /nfs/dbraw/zinc/29/76/70/395297670.db2.gz NUEYLOMNBSCBAR-RYUDHWBXSA-N 1 2 258.325 2.184 20 30 CEEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439274235 395255133 /nfs/dbraw/zinc/25/51/33/395255133.db2.gz OOPOGOWIIZOGQU-RISCZKNCSA-N 1 2 294.782 2.447 20 30 CEEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439274235 395255138 /nfs/dbraw/zinc/25/51/38/395255138.db2.gz OOPOGOWIIZOGQU-RISCZKNCSA-N 1 2 294.782 2.447 20 30 CEEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C#N)c1 ZINC000419254857 395255855 /nfs/dbraw/zinc/25/58/55/395255855.db2.gz FUVNVICKDYNCRJ-VBNZEHGJSA-N 1 2 297.358 2.444 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000411230154 395323131 /nfs/dbraw/zinc/32/31/31/395323131.db2.gz UROTWGYFISVOKM-QWHCGFSZSA-N 1 2 294.420 2.240 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000411230154 395323135 /nfs/dbraw/zinc/32/31/35/395323135.db2.gz UROTWGYFISVOKM-QWHCGFSZSA-N 1 2 294.420 2.240 20 30 CEEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352466792 395256802 /nfs/dbraw/zinc/25/68/02/395256802.db2.gz FZWCVDUIKQHFEM-UHFFFAOYSA-N 1 2 293.298 2.431 20 30 CEEDLO CN(C(=O)C[NH+]1CCC(F)(C#N)CC1)C1CCCCC1 ZINC000352467971 395257012 /nfs/dbraw/zinc/25/70/12/395257012.db2.gz OZLLVJAGECAVBJ-UHFFFAOYSA-N 1 2 281.375 2.105 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)CC)Cc1ccc(CO)o1 ZINC000352870834 395273078 /nfs/dbraw/zinc/27/30/78/395273078.db2.gz SMFRJMREBMAAAX-ZDUSSCGKSA-N 1 2 294.395 2.065 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)CC)Cc1ccc(CO)o1 ZINC000352870834 395273080 /nfs/dbraw/zinc/27/30/80/395273080.db2.gz SMFRJMREBMAAAX-ZDUSSCGKSA-N 1 2 294.395 2.065 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)c2cncc(C#N)n2)c1C ZINC000420586604 395381601 /nfs/dbraw/zinc/38/16/01/395381601.db2.gz OYJIKECXKIBZGD-UHFFFAOYSA-N 1 2 283.335 2.005 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872172 395341360 /nfs/dbraw/zinc/34/13/60/395341360.db2.gz JAKGRGCJEIVROR-ZBFHGGJFSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872172 395341362 /nfs/dbraw/zinc/34/13/62/395341362.db2.gz JAKGRGCJEIVROR-ZBFHGGJFSA-N 1 2 292.423 2.076 20 30 CEEDLO C[C@@H]1CCC[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000568519002 395563257 /nfs/dbraw/zinc/56/32/57/395563257.db2.gz WZPUGQPBHXFOCL-NFAWXSAZSA-N 1 2 265.401 2.163 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)ccc1Cl ZINC000569248423 395575380 /nfs/dbraw/zinc/57/53/80/395575380.db2.gz NHWRQRYWYXDZKY-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000459452061 395666198 /nfs/dbraw/zinc/66/61/98/395666198.db2.gz YIHKHQCZUMRBSD-CQSZACIVSA-N 1 2 289.335 2.059 20 30 CEEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000459452061 395666199 /nfs/dbraw/zinc/66/61/99/395666199.db2.gz YIHKHQCZUMRBSD-CQSZACIVSA-N 1 2 289.335 2.059 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459783731 395666761 /nfs/dbraw/zinc/66/67/61/395666761.db2.gz IQBBORPULAKLSK-LLVKDONJSA-N 1 2 270.336 2.151 20 30 CEEDLO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)nn1C ZINC000487382905 395667212 /nfs/dbraw/zinc/66/72/12/395667212.db2.gz WRNFYYQUMMYBIU-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)nn1C ZINC000487382905 395667213 /nfs/dbraw/zinc/66/72/13/395667213.db2.gz WRNFYYQUMMYBIU-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1ccc2ncc(C#N)c(NCCn3cc[nH+]c3)c2c1 ZINC000487898334 395667739 /nfs/dbraw/zinc/66/77/39/395667739.db2.gz STVIERKHTZTKJD-UHFFFAOYSA-N 1 2 277.331 2.145 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000491415620 395669426 /nfs/dbraw/zinc/66/94/26/395669426.db2.gz HSKLBLLVNDWDCW-VIFPVBQESA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000491415620 395669427 /nfs/dbraw/zinc/66/94/27/395669427.db2.gz HSKLBLLVNDWDCW-VIFPVBQESA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000491415597 395669493 /nfs/dbraw/zinc/66/94/93/395669493.db2.gz HSKLBLLVNDWDCW-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000491415597 395669494 /nfs/dbraw/zinc/66/94/94/395669494.db2.gz HSKLBLLVNDWDCW-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO N#Cc1ccc(CN(C(=O)C=Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC000492815873 395671221 /nfs/dbraw/zinc/67/12/21/395671221.db2.gz YUIUJFQXQGYBQN-VMPITWQZSA-N 1 2 292.342 2.486 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649827290 396269306 /nfs/dbraw/zinc/26/93/06/396269306.db2.gz LIQVJAQTVCPZKB-AWEZNQCLSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649827290 396269308 /nfs/dbraw/zinc/26/93/08/396269308.db2.gz LIQVJAQTVCPZKB-AWEZNQCLSA-N 1 2 280.412 2.054 20 30 CEEDLO Cc1ccc(NC(=O)N2CC3(C2)CCCOC3)c(C)[nH+]1 ZINC000329564817 292140728 /nfs/dbraw/zinc/14/07/28/292140728.db2.gz NZGAAJFMTKIDEZ-UHFFFAOYSA-N 1 2 275.352 2.356 20 30 CEEDLO Cc1cc(N2CCC[C@@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000425271638 400574465 /nfs/dbraw/zinc/57/44/65/400574465.db2.gz VQMTUZVWTLJZSZ-OAHLLOKOSA-N 1 2 257.337 2.269 20 30 CEEDLO Cc1cc(C[N@H+]2CCN(CC(C)C)C(=O)C2)ccc1C#N ZINC000489007059 400586687 /nfs/dbraw/zinc/58/66/87/400586687.db2.gz FYUJJPCNNQSXIJ-UHFFFAOYSA-N 1 2 285.391 2.167 20 30 CEEDLO Cc1cc(C[N@@H+]2CCN(CC(C)C)C(=O)C2)ccc1C#N ZINC000489007059 400586692 /nfs/dbraw/zinc/58/66/92/400586692.db2.gz FYUJJPCNNQSXIJ-UHFFFAOYSA-N 1 2 285.391 2.167 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649898823 400748189 /nfs/dbraw/zinc/74/81/89/400748189.db2.gz AZVFUCKSGAMFLS-HNNXBMFYSA-N 1 2 287.407 2.411 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649898823 400748192 /nfs/dbraw/zinc/74/81/92/400748192.db2.gz AZVFUCKSGAMFLS-HNNXBMFYSA-N 1 2 287.407 2.411 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651972517 401426007 /nfs/dbraw/zinc/42/60/07/401426007.db2.gz BGZSIKGSFXUINT-GFCCVEGCSA-N 1 2 261.369 2.233 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2sc(C)nc2C)[N@H+](C)C1 ZINC000329022988 286090420 /nfs/dbraw/zinc/09/04/20/286090420.db2.gz MUXPZVGKGODQRO-UWVGGRQHSA-N 1 2 269.370 2.067 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2sc(C)nc2C)[N@@H+](C)C1 ZINC000329022988 286090421 /nfs/dbraw/zinc/09/04/21/286090421.db2.gz MUXPZVGKGODQRO-UWVGGRQHSA-N 1 2 269.370 2.067 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000360175389 155236693 /nfs/dbraw/zinc/23/66/93/155236693.db2.gz JXJMVOROAFMRGD-NSHDSACASA-N 1 2 268.320 2.043 20 30 CEEDLO N#Cc1nccnc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360354186 155281034 /nfs/dbraw/zinc/28/10/34/155281034.db2.gz OIPVHPBWFXSOQU-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000227238086 286308834 /nfs/dbraw/zinc/30/88/34/286308834.db2.gz PZCKWPGEEUNNLS-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000227238086 286308836 /nfs/dbraw/zinc/30/88/36/286308836.db2.gz PZCKWPGEEUNNLS-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000087833163 286309237 /nfs/dbraw/zinc/30/92/37/286309237.db2.gz PZCKWPGEEUNNLS-NEPJUHHUSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000087833163 286309238 /nfs/dbraw/zinc/30/92/38/286309238.db2.gz PZCKWPGEEUNNLS-NEPJUHHUSA-N 1 2 260.337 2.176 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(C#N)cc1Cl ZINC000359456399 155021880 /nfs/dbraw/zinc/02/18/80/155021880.db2.gz XGLBKIYMAQDTPV-VIFPVBQESA-N 1 2 261.716 2.304 20 30 CEEDLO CC(C)OCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367141130 156137981 /nfs/dbraw/zinc/13/79/81/156137981.db2.gz ORFCPMLGSIYCSM-INIZCTEOSA-N 1 2 274.364 2.357 20 30 CEEDLO CC(C)OCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 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C=CCOCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000666131706 419551863 /nfs/dbraw/zinc/55/18/63/419551863.db2.gz HSGSQEHWMUMSFK-UHFFFAOYSA-N 1 2 274.324 2.049 20 30 CEEDLO C=CCC1(NC(=O)Nc2cc(C)[nH+]cc2C)CCOCC1 ZINC000666496529 419693166 /nfs/dbraw/zinc/69/31/66/419693166.db2.gz PHADAOYSMJEWQH-UHFFFAOYSA-N 1 2 289.379 2.367 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCN(C)C1=O ZINC000298034672 260141222 /nfs/dbraw/zinc/14/12/22/260141222.db2.gz FYQRELOILVOJGI-CQSZACIVSA-N 1 2 262.328 2.044 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCN(C)C1=O ZINC000298034672 260141223 /nfs/dbraw/zinc/14/12/23/260141223.db2.gz FYQRELOILVOJGI-CQSZACIVSA-N 1 2 262.328 2.044 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000049000991 260202844 /nfs/dbraw/zinc/20/28/44/260202844.db2.gz WITWUMOHMQHNOG-RYUDHWBXSA-N 1 2 293.798 2.436 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000049000991 260202845 /nfs/dbraw/zinc/20/28/45/260202845.db2.gz WITWUMOHMQHNOG-RYUDHWBXSA-N 1 2 293.798 2.436 20 30 CEEDLO Cc1noc(CO[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000074285529 260286462 /nfs/dbraw/zinc/28/64/62/260286462.db2.gz WUKMSFJLNATRQR-UHFFFAOYSA-N 1 2 280.715 2.063 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nccn1C(F)F ZINC000081081368 260330489 /nfs/dbraw/zinc/33/04/89/260330489.db2.gz WYDNECAQHCNAQY-SECBINFHSA-N 1 2 290.314 2.128 20 30 CEEDLO N#CC[N@@H+](C[C@@H](O)COc1ccccc1)C1CCCC1 ZINC000156643323 261127856 /nfs/dbraw/zinc/12/78/56/261127856.db2.gz KQQKICNRDXAFRT-OAHLLOKOSA-N 1 2 274.364 2.194 20 30 CEEDLO N#CC[N@H+](C[C@@H](O)COc1ccccc1)C1CCCC1 ZINC000156643323 261127858 /nfs/dbraw/zinc/12/78/58/261127858.db2.gz KQQKICNRDXAFRT-OAHLLOKOSA-N 1 2 274.364 2.194 20 30 CEEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1cc(OCC)ccc1O ZINC000157191627 261142279 /nfs/dbraw/zinc/14/22/79/261142279.db2.gz UIGFIDLMNPUORQ-LICLKQGHSA-N 1 2 292.379 2.372 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000104678457 261296689 /nfs/dbraw/zinc/29/66/89/261296689.db2.gz VDVJMDMZTJUOGO-PWSUYJOCSA-N 1 2 293.333 2.314 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104678457 261296691 /nfs/dbraw/zinc/29/66/91/261296691.db2.gz VDVJMDMZTJUOGO-PWSUYJOCSA-N 1 2 293.333 2.314 20 30 CEEDLO CC(C)(C#N)CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000363884782 262005273 /nfs/dbraw/zinc/00/52/73/262005273.db2.gz TYPYZYGVIDCHIN-ZDUSSCGKSA-N 1 2 269.352 2.424 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1OCOC ZINC000184087159 262007900 /nfs/dbraw/zinc/00/79/00/262007900.db2.gz XMLCBKJDYJQZQI-CYBMUJFWSA-N 1 2 278.352 2.460 20 30 CEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000365699481 262449401 /nfs/dbraw/zinc/44/94/01/262449401.db2.gz VSANVMWBPORILR-MRXNPFEDSA-N 1 2 293.370 2.308 20 30 CEEDLO NC(COc1ccccc1F)=[NH+]OCCCCCCO ZINC000275550304 263033615 /nfs/dbraw/zinc/03/36/15/263033615.db2.gz UVLONHGFBPXGAV-UHFFFAOYSA-N 1 2 284.331 2.046 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1c(Br)c(C)nn1C ZINC000279792650 263057459 /nfs/dbraw/zinc/05/74/59/263057459.db2.gz IUBPEYAALVNGJY-SECBINFHSA-N 1 2 285.189 2.273 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000280991785 263065618 /nfs/dbraw/zinc/06/56/18/263065618.db2.gz MVARQZGZMVURFL-VGSSETLESA-N 1 2 290.363 2.078 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281138180 263066753 /nfs/dbraw/zinc/06/67/53/263066753.db2.gz ZASAWIATOSGJRE-JTQLQIEISA-N 1 2 257.297 2.148 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281440963 263068981 /nfs/dbraw/zinc/06/89/81/263068981.db2.gz TXLDQYINTMYTHH-UHFFFAOYSA-N 1 2 284.709 2.129 20 30 CEEDLO CO/N=C/C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000283567883 263083347 /nfs/dbraw/zinc/08/33/47/263083347.db2.gz WDLNEQQSWOWQGF-OVCLIPMQSA-N 1 2 272.308 2.021 20 30 CEEDLO NC(=[NH+]OCCOc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000283891299 263084704 /nfs/dbraw/zinc/08/47/04/263084704.db2.gz CZOJXHKSHXKRKO-GFCCVEGCSA-N 1 2 284.743 2.187 20 30 CEEDLO NC(=[NH+]OCc1nc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000283939645 263084946 /nfs/dbraw/zinc/08/49/46/263084946.db2.gz FJPSPOCBEDINNL-SECBINFHSA-N 1 2 290.150 2.356 20 30 CEEDLO NC(COc1cccc(F)c1)=[NH+]OCCCCF ZINC000285044242 263089710 /nfs/dbraw/zinc/08/97/10/263089710.db2.gz FJUGFOSNRYJURK-UHFFFAOYSA-N 1 2 258.268 2.243 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000285559681 263094224 /nfs/dbraw/zinc/09/42/24/263094224.db2.gz FSUIACGBNLTNDQ-KCQAQPDRSA-N 1 2 274.368 2.232 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1nncn1CC ZINC000218223921 263096214 /nfs/dbraw/zinc/09/62/14/263096214.db2.gz UENSMHUPPPUHPO-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000292727221 263134451 /nfs/dbraw/zinc/13/44/51/263134451.db2.gz GHLSSRPWOUEBOL-GFCCVEGCSA-N 1 2 266.366 2.052 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000292727221 263134452 /nfs/dbraw/zinc/13/44/52/263134452.db2.gz GHLSSRPWOUEBOL-GFCCVEGCSA-N 1 2 266.366 2.052 20 30 CEEDLO C#CCCCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296365162 263190784 /nfs/dbraw/zinc/19/07/84/263190784.db2.gz IPDBPDBOLFIWMQ-CYBMUJFWSA-N 1 2 288.395 2.316 20 30 CEEDLO C[C@@H](CCC#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297882338 263211445 /nfs/dbraw/zinc/21/14/45/263211445.db2.gz NMGFUILKOCOEBC-HNNXBMFYSA-N 1 2 282.391 2.368 20 30 CEEDLO N#CCc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000299650238 263250868 /nfs/dbraw/zinc/25/08/68/263250868.db2.gz KLMFGLNXPZWSNI-UHFFFAOYSA-N 1 2 294.358 2.496 20 30 CEEDLO C=C(Cl)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000299675474 263252368 /nfs/dbraw/zinc/25/23/68/263252368.db2.gz MNWZJAUKTITOPC-UHFFFAOYSA-N 1 2 255.724 2.095 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)C#Cc1ccccc1 ZINC000366718468 263317039 /nfs/dbraw/zinc/31/70/39/263317039.db2.gz GDJPAJBQKHRLPH-OAHLLOKOSA-N 1 2 279.343 2.135 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCn2nc(C)nc2C1 ZINC000353674022 263370917 /nfs/dbraw/zinc/37/09/17/263370917.db2.gz RAMQNXRJCIZUCW-UHFFFAOYSA-N 1 2 284.363 2.167 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCn2nc(C)nc2C1 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289.383 2.439 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000331359071 264208876 /nfs/dbraw/zinc/20/88/76/264208876.db2.gz VZSXVQIJDYXJRM-CMPLNLGQSA-N 1 2 261.300 2.046 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)NCC#Cc2ccccc2)c2[nH+]ccn21 ZINC000514582724 266004627 /nfs/dbraw/zinc/00/46/27/266004627.db2.gz UNQKIOYBEIASMX-ZFWWWQNUSA-N 1 2 294.358 2.240 20 30 CEEDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000514659808 266030011 /nfs/dbraw/zinc/03/00/11/266030011.db2.gz DQTGKNVRHZUAJI-UHFFFAOYSA-N 1 2 283.291 2.033 20 30 CEEDLO C=C(C)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356479486 266121996 /nfs/dbraw/zinc/12/19/96/266121996.db2.gz ZZBQCBUJURGTAM-UHFFFAOYSA-N 1 2 255.321 2.237 20 30 CEEDLO CC[N@H+](CCCNC(=O)[C@@H](C)C#N)c1ccccc1 ZINC000357798550 266364901 /nfs/dbraw/zinc/36/49/01/266364901.db2.gz LYBMWIFXHURGSY-ZDUSSCGKSA-N 1 2 259.353 2.179 20 30 CEEDLO CC[N@@H+](CCCNC(=O)[C@@H](C)C#N)c1ccccc1 ZINC000357798550 266364904 /nfs/dbraw/zinc/36/49/04/266364904.db2.gz 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C#Cc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000376181135 267948199 /nfs/dbraw/zinc/94/81/99/267948199.db2.gz KUAAYOXNPBOUEB-CYBMUJFWSA-N 1 2 265.316 2.066 20 30 CEEDLO Cc1nc(C(=O)Nc2c[nH+]c3n2CCCC3)ccc1C#N ZINC000452333517 268073550 /nfs/dbraw/zinc/07/35/50/268073550.db2.gz JLQLLJBAJSABIE-UHFFFAOYSA-N 1 2 281.319 2.047 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000451389507 268306303 /nfs/dbraw/zinc/30/63/03/268306303.db2.gz UMRJKLUHROPZTO-UHFFFAOYSA-N 1 2 281.356 2.240 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000190835009 270270841 /nfs/dbraw/zinc/27/08/41/270270841.db2.gz NBNZXJPXXZMVON-GFCCVEGCSA-N 1 2 272.348 2.474 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000190835009 270270842 /nfs/dbraw/zinc/27/08/42/270270842.db2.gz NBNZXJPXXZMVON-GFCCVEGCSA-N 1 2 272.348 2.474 20 30 CEEDLO Cc1cc(N2CCN(CC(F)(F)F)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425243415 271145635 /nfs/dbraw/zinc/14/56/35/271145635.db2.gz FLOIQXYLAYZGIE-NSHDSACASA-N 1 2 298.312 2.335 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336277066 276923832 /nfs/dbraw/zinc/92/38/32/276923832.db2.gz QKYSLNLUYNAXPR-STQMWFEESA-N 1 2 259.353 2.013 20 30 CEEDLO C=CC[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296355889 277885023 /nfs/dbraw/zinc/88/50/23/277885023.db2.gz IXWVDBSLKWXMHK-RYUDHWBXSA-N 1 2 276.384 2.477 20 30 CEEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000331993114 278293608 /nfs/dbraw/zinc/29/36/08/278293608.db2.gz PQWSTBJVKLKPKS-ZDUSSCGKSA-N 1 2 277.412 2.307 20 30 CEEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000331993114 278293609 /nfs/dbraw/zinc/29/36/09/278293609.db2.gz PQWSTBJVKLKPKS-ZDUSSCGKSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2cncnc2C1 ZINC000332518715 278309908 /nfs/dbraw/zinc/30/99/08/278309908.db2.gz LDZXAUXUVVDGNY-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2cncnc2C1 ZINC000332518715 278309910 /nfs/dbraw/zinc/30/99/10/278309910.db2.gz LDZXAUXUVVDGNY-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO CCCC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000135231744 280039720 /nfs/dbraw/zinc/03/97/20/280039720.db2.gz NIGCVJWBSWJYRP-OAHLLOKOSA-N 1 2 290.363 2.258 20 30 CEEDLO Cc1nc(N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1C#N ZINC000330187527 281927702 /nfs/dbraw/zinc/92/77/02/281927702.db2.gz TWECFHIFRVSZRP-LBPRGKRZSA-N 1 2 253.309 2.326 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246385516 290219893 /nfs/dbraw/zinc/21/98/93/290219893.db2.gz NOMLKWABNXQNLP-QLFBSQMISA-N 1 2 287.407 2.006 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246385516 290219896 /nfs/dbraw/zinc/21/98/96/290219896.db2.gz NOMLKWABNXQNLP-QLFBSQMISA-N 1 2 287.407 2.006 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCSC1 ZINC000329561027 295384937 /nfs/dbraw/zinc/38/49/37/295384937.db2.gz JCFDUHUVPHGNNC-VHSXEESVSA-N 1 2 265.382 2.367 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCSC1 ZINC000329561027 295384940 /nfs/dbraw/zinc/38/49/40/295384940.db2.gz JCFDUHUVPHGNNC-VHSXEESVSA-N 1 2 265.382 2.367 20 30 CEEDLO Cc1cc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)ccc1C#N ZINC000335204174 301274846 /nfs/dbraw/zinc/27/48/46/301274846.db2.gz JIOOEKXRFARYNT-YJYMSZOUSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)ccc1C#N ZINC000335204174 301274850 /nfs/dbraw/zinc/27/48/50/301274850.db2.gz JIOOEKXRFARYNT-YJYMSZOUSA-N 1 2 276.405 2.210 20 30 CEEDLO N#CC1(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)CCC1 ZINC000336187548 303141911 /nfs/dbraw/zinc/14/19/11/303141911.db2.gz GWWYPBWOJXCXEX-HNNXBMFYSA-N 1 2 283.375 2.243 20 30 CEEDLO N#CC1(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)CCC1 ZINC000336187548 303141913 /nfs/dbraw/zinc/14/19/13/303141913.db2.gz GWWYPBWOJXCXEX-HNNXBMFYSA-N 1 2 283.375 2.243 20 30 CEEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)c1 ZINC000160686440 312639639 /nfs/dbraw/zinc/63/96/39/312639639.db2.gz AQLYEEWDWIMORC-UHFFFAOYSA-N 1 2 297.358 2.482 20 30 CEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568068632 313925629 /nfs/dbraw/zinc/92/56/29/313925629.db2.gz NWLFHJTYONNEHP-LLVKDONJSA-N 1 2 298.346 2.100 20 30 CEEDLO Cc1cc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c(C#N)c[nH+]1 ZINC000572150642 314122111 /nfs/dbraw/zinc/12/21/11/314122111.db2.gz YFGILGWTWSULPB-NVXWUHKLSA-N 1 2 294.358 2.411 20 30 CEEDLO Cc1cc(N[C@@H]2CCO[C@H](c3ccncc3)C2)c(C#N)c[nH+]1 ZINC000572150644 314122166 /nfs/dbraw/zinc/12/21/66/314122166.db2.gz YFGILGWTWSULPB-WBVHZDCISA-N 1 2 294.358 2.411 20 30 CEEDLO Cc1cccc2[nH+]cc(CNc3n[nH]c(C4CC4)c3C#N)n21 ZINC000577593934 314393315 /nfs/dbraw/zinc/39/33/15/314393315.db2.gz IGLGIVOSXQIUAM-UHFFFAOYSA-N 1 2 292.346 2.149 20 30 CEEDLO CCc1ccccc1NC(=O)C[NH2+][C@H](CC)CC#N ZINC000563363710 328059309 /nfs/dbraw/zinc/05/93/09/328059309.db2.gz ABSJJYWOZRFWPR-CYBMUJFWSA-N 1 2 259.353 2.469 20 30 CEEDLO CC[N@H+](CC(=O)NC[C@H](C)C#N)Cc1ccccc1Cl ZINC000571073914 328084374 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CC[C@H](CC#N)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000565607339 334579481 /nfs/dbraw/zinc/57/94/81/334579481.db2.gz OIMFGGCXTQVDLN-KGLIPLIRSA-N 1 2 259.353 2.098 20 30 CEEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565661638 334585811 /nfs/dbraw/zinc/58/58/11/334585811.db2.gz QCUIVGQZQKAPQZ-WFASDCNBSA-N 1 2 267.417 2.409 20 30 CEEDLO C=CCCCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000568188875 334802497 /nfs/dbraw/zinc/80/24/97/334802497.db2.gz UMVQUXWJNVOYNK-UHFFFAOYSA-N 1 2 264.373 2.008 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)cc1Cl ZINC000579186677 335719279 /nfs/dbraw/zinc/71/92/79/335719279.db2.gz CVOJZXDGUTYFBU-CYBMUJFWSA-N 1 2 283.734 2.053 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000581827475 336148343 /nfs/dbraw/zinc/14/83/43/336148343.db2.gz SKKIGASZZXJSQU-CQSZACIVSA-N 1 2 294.424 2.014 20 30 CEEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)co1 ZINC000874895439 649865506 /nfs/dbraw/zinc/86/55/06/649865506.db2.gz UOTYYZVGRJXYMG-HNNXBMFYSA-N 1 2 299.305 2.077 20 30 CEEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1nnc2ccccn21 ZINC000192812856 533935128 /nfs/dbraw/zinc/93/51/28/533935128.db2.gz CKTSYYZXMDFBER-LBPRGKRZSA-N 1 2 277.331 2.452 20 30 CEEDLO CC#CCCCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000185517147 519333966 /nfs/dbraw/zinc/33/39/66/519333966.db2.gz WXJXWCOZEIXRON-UHFFFAOYSA-N 1 2 269.348 2.453 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@]2(CCOC2)O1 ZINC000330085790 534450302 /nfs/dbraw/zinc/45/03/02/534450302.db2.gz DEERWHUXTOLUCE-CJNGLKHVSA-N 1 2 296.411 2.155 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@]2(CCOC2)O1 ZINC000330085790 534450308 /nfs/dbraw/zinc/45/03/08/534450308.db2.gz DEERWHUXTOLUCE-CJNGLKHVSA-N 1 2 296.411 2.155 20 30 CEEDLO Cc1cn2cc(NC(=O)N[C@@]3(C)CCCOC3)ccc2[nH+]1 ZINC000329141093 534516397 /nfs/dbraw/zinc/51/63/97/534516397.db2.gz JZBXISDTDNLNHM-HNNXBMFYSA-N 1 2 288.351 2.347 20 30 CEEDLO O=C(CCC1CCOCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330264356 534766308 /nfs/dbraw/zinc/76/63/08/534766308.db2.gz XVDIDVVZTKFRFY-CYBMUJFWSA-N 1 2 277.368 2.361 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(CCOC)no1 ZINC000352702054 526326876 /nfs/dbraw/zinc/32/68/76/526326876.db2.gz QKTPAZNULVMHLC-UHFFFAOYSA-N 1 2 291.351 2.082 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(CCOC)no1 ZINC000352702054 526326880 /nfs/dbraw/zinc/32/68/80/526326880.db2.gz QKTPAZNULVMHLC-UHFFFAOYSA-N 1 2 291.351 2.082 20 30 CEEDLO N#Cc1ncccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000364919300 526792500 /nfs/dbraw/zinc/79/25/00/526792500.db2.gz NZJOHUKTMHOKEE-UHFFFAOYSA-N 1 2 279.347 2.429 20 30 CEEDLO C=C(CNc1[nH+]cnc2c1cnn2C)c1ccccc1 ZINC000352204972 526885101 /nfs/dbraw/zinc/88/51/01/526885101.db2.gz BWGRAMXGTUCVHG-UHFFFAOYSA-N 1 2 265.320 2.489 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348003099 526988497 /nfs/dbraw/zinc/98/84/97/526988497.db2.gz COELDPJJFRUJLR-CYBMUJFWSA-N 1 2 290.411 2.217 20 30 CEEDLO C=C[C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000354839227 527568062 /nfs/dbraw/zinc/56/80/62/527568062.db2.gz GMIIUDJESMBHLT-LBPRGKRZSA-N 1 2 255.321 2.236 20 30 CEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)C[C@@H](C#N)CCC#N ZINC000353210119 527895755 /nfs/dbraw/zinc/89/57/55/527895755.db2.gz PFADPQGCMNVRQJ-OAHLLOKOSA-N 1 2 290.411 2.154 20 30 CEEDLO CC[N@H+](CC(=O)N1CCCCCC1)C[C@@H](C#N)CCC#N ZINC000353210119 527895762 /nfs/dbraw/zinc/89/57/62/527895762.db2.gz PFADPQGCMNVRQJ-OAHLLOKOSA-N 1 2 290.411 2.154 20 30 CEEDLO CC(C)[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CCCO1 ZINC000354791406 528750381 /nfs/dbraw/zinc/75/03/81/528750381.db2.gz OWHZRARHZWDQFB-LBPRGKRZSA-N 1 2 265.382 2.262 20 30 CEEDLO CC(C)[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CCCO1 ZINC000354791406 528750386 /nfs/dbraw/zinc/75/03/86/528750386.db2.gz OWHZRARHZWDQFB-LBPRGKRZSA-N 1 2 265.382 2.262 20 30 CEEDLO C=CCOCC(=O)OCCCn1c(C)[nH+]c2ccccc21 ZINC000729895397 574494519 /nfs/dbraw/zinc/49/45/19/574494519.db2.gz INQDTSDROGWNIF-UHFFFAOYSA-N 1 2 288.347 2.481 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CC)s1 ZINC000730098095 574501349 /nfs/dbraw/zinc/50/13/49/574501349.db2.gz VETXPAPWYXJNDD-AWEZNQCLSA-N 1 2 276.405 2.024 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CC)s1 ZINC000730098095 574501351 /nfs/dbraw/zinc/50/13/51/574501351.db2.gz VETXPAPWYXJNDD-AWEZNQCLSA-N 1 2 276.405 2.024 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000730094440 574501386 /nfs/dbraw/zinc/50/13/86/574501386.db2.gz IRVVJZLWJZKQHY-HNNXBMFYSA-N 1 2 272.348 2.121 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000730094440 574501388 /nfs/dbraw/zinc/50/13/88/574501388.db2.gz IRVVJZLWJZKQHY-HNNXBMFYSA-N 1 2 272.348 2.121 20 30 CEEDLO COC(=O)c1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000730147604 574502744 /nfs/dbraw/zinc/50/27/44/574502744.db2.gz GHDUPQJAXUHLJI-UHFFFAOYSA-N 1 2 295.298 2.482 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ncsc2c1 ZINC000730277550 574513308 /nfs/dbraw/zinc/51/33/08/574513308.db2.gz DGFSOUKKOAAERG-ZDUSSCGKSA-N 1 2 285.372 2.332 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ncsc2c1 ZINC000730277550 574513309 /nfs/dbraw/zinc/51/33/09/574513309.db2.gz DGFSOUKKOAAERG-ZDUSSCGKSA-N 1 2 285.372 2.332 20 30 CEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)c(C#N)c1C ZINC000761096306 574518775 /nfs/dbraw/zinc/51/87/75/574518775.db2.gz QSBVCQGDDVZCKK-PWSUYJOCSA-N 1 2 275.377 2.269 20 30 CEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)c(C#N)c1C ZINC000761096306 574518777 /nfs/dbraw/zinc/51/87/77/574518777.db2.gz QSBVCQGDDVZCKK-PWSUYJOCSA-N 1 2 275.377 2.269 20 30 CEEDLO C=CC[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccncc1 ZINC000734652600 574724141 /nfs/dbraw/zinc/72/41/41/574724141.db2.gz OBHCMRMEFAUFTM-HNNXBMFYSA-N 1 2 299.378 2.285 20 30 CEEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)C[C@@H](C)C#N ZINC000739839372 574934402 /nfs/dbraw/zinc/93/44/02/574934402.db2.gz CQUGCKFKCCDPAJ-LBPRGKRZSA-N 1 2 294.362 2.174 20 30 CEEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@@H](C)C#N ZINC000739839372 574934404 /nfs/dbraw/zinc/93/44/04/574934404.db2.gz CQUGCKFKCCDPAJ-LBPRGKRZSA-N 1 2 294.362 2.174 20 30 CEEDLO C=CCCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741351581 574983173 /nfs/dbraw/zinc/98/31/73/574983173.db2.gz FWCIBAZORHXXPV-MRXNPFEDSA-N 1 2 289.375 2.397 20 30 CEEDLO C=CCCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741351581 574983174 /nfs/dbraw/zinc/98/31/74/574983174.db2.gz FWCIBAZORHXXPV-MRXNPFEDSA-N 1 2 289.375 2.397 20 30 CEEDLO CC1(C)C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CCO1 ZINC000744137625 575114619 /nfs/dbraw/zinc/11/46/19/575114619.db2.gz WJZIUCSTFPSZID-UHFFFAOYSA-N 1 2 296.374 2.490 20 30 CEEDLO CC1(C)C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CCO1 ZINC000744137625 575114621 /nfs/dbraw/zinc/11/46/21/575114621.db2.gz WJZIUCSTFPSZID-UHFFFAOYSA-N 1 2 296.374 2.490 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc(Cl)c1 ZINC000747626005 575172702 /nfs/dbraw/zinc/17/27/02/575172702.db2.gz PYERQNAHKYQBEM-UHFFFAOYSA-N 1 2 277.715 2.167 20 30 CEEDLO COCCO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000748790817 575196052 /nfs/dbraw/zinc/19/60/52/575196052.db2.gz AEOUWZDGBFULHL-UHFFFAOYSA-N 1 2 266.316 2.423 20 30 CEEDLO CCCCCCCCC[N@H+](C)Cc1nnnn1C ZINC000749903846 575239294 /nfs/dbraw/zinc/23/92/94/575239294.db2.gz SMJZRWAUJZNNGM-UHFFFAOYSA-N 1 2 253.394 2.393 20 30 CEEDLO CCCCCCCCC[N@@H+](C)Cc1nnnn1C ZINC000749903846 575239296 /nfs/dbraw/zinc/23/92/96/575239296.db2.gz SMJZRWAUJZNNGM-UHFFFAOYSA-N 1 2 253.394 2.393 20 30 CEEDLO CCC(CC)[C@H](C(=O)OCCCCC#N)[NH+]1CCOCC1 ZINC000750510589 575266597 /nfs/dbraw/zinc/26/65/97/575266597.db2.gz ACVHFMURTZCRNX-OAHLLOKOSA-N 1 2 296.411 2.360 20 30 CEEDLO C#C[C@H](CC)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000752930049 575316552 /nfs/dbraw/zinc/31/65/52/575316552.db2.gz VNPXLOUIMVJASW-SNVBAGLBSA-N 1 2 257.341 2.405 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000981219453 613160315 /nfs/dbraw/zinc/16/03/15/613160315.db2.gz LAINONRAQPEOMD-UHFFFAOYSA-N 1 2 282.796 2.183 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000981219453 613160316 /nfs/dbraw/zinc/16/03/16/613160316.db2.gz LAINONRAQPEOMD-UHFFFAOYSA-N 1 2 282.796 2.183 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c3cccnc23)C1 ZINC000957278292 613295860 /nfs/dbraw/zinc/29/58/60/613295860.db2.gz IITOTSAHFZQQPO-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC000950635430 613295957 /nfs/dbraw/zinc/29/59/57/613295957.db2.gz MYUBNJOTDGKFKC-UHFFFAOYSA-N 1 2 275.396 2.354 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3nccn3c2)C1 ZINC000957118046 613296542 /nfs/dbraw/zinc/29/65/42/613296542.db2.gz SIFSZDIJBVUAAG-UHFFFAOYSA-N 1 2 298.390 2.057 20 30 CEEDLO C=C(C)C[N@@H+]1CCCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000982373144 613312810 /nfs/dbraw/zinc/31/28/10/613312810.db2.gz RIZXSYMUQQVXLX-UHFFFAOYSA-N 1 2 298.390 2.287 20 30 CEEDLO C=C(C)C[N@H+]1CCCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000982373144 613312811 /nfs/dbraw/zinc/31/28/11/613312811.db2.gz RIZXSYMUQQVXLX-UHFFFAOYSA-N 1 2 298.390 2.287 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000949769493 613315365 /nfs/dbraw/zinc/31/53/65/613315365.db2.gz UYNIWYIIIGTKPY-UHFFFAOYSA-N 1 2 250.386 2.143 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3cnccc3o2)CC1 ZINC000949115010 613320551 /nfs/dbraw/zinc/32/05/51/613320551.db2.gz UQKMISXHXRNNHO-UHFFFAOYSA-N 1 2 285.347 2.162 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2oc(CCC)nc2C)CC1 ZINC000957340462 613322214 /nfs/dbraw/zinc/32/22/14/613322214.db2.gz XFGVVCPFYCRXQA-UHFFFAOYSA-N 1 2 291.395 2.269 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2nc(Cl)sc2C)CC1 ZINC000949235086 613322301 /nfs/dbraw/zinc/32/23/01/613322301.db2.gz KPQKFGKBFNMURM-UHFFFAOYSA-N 1 2 299.827 2.439 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672642 613375738 /nfs/dbraw/zinc/37/57/38/613375738.db2.gz FISJYHQPFATURX-BXUZGUMPSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672642 613375739 /nfs/dbraw/zinc/37/57/39/613375739.db2.gz FISJYHQPFATURX-BXUZGUMPSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccncc2)C1 ZINC000964635940 613377454 /nfs/dbraw/zinc/37/74/54/613377454.db2.gz LDPFDFJQUSWDNW-FZMZJTMJSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccncc2)C1 ZINC000964635940 613377455 /nfs/dbraw/zinc/37/74/55/613377455.db2.gz LDPFDFJQUSWDNW-FZMZJTMJSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672645 613377828 /nfs/dbraw/zinc/37/78/28/613377828.db2.gz FISJYHQPFATURX-SMDDNHRTSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672645 613377829 /nfs/dbraw/zinc/37/78/29/613377829.db2.gz FISJYHQPFATURX-SMDDNHRTSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC000964619427 613377872 /nfs/dbraw/zinc/37/78/72/613377872.db2.gz RVCXZPOCHMLELZ-GXSJLCMTSA-N 1 2 276.783 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC000964619427 613377873 /nfs/dbraw/zinc/37/78/73/613377873.db2.gz RVCXZPOCHMLELZ-GXSJLCMTSA-N 1 2 276.783 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2)C(C)(C)C1 ZINC000972754148 613379820 /nfs/dbraw/zinc/37/98/20/613379820.db2.gz UBKPJQCVFQVCHP-CYBMUJFWSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnc2)C(C)(C)C1 ZINC000972754148 613379821 /nfs/dbraw/zinc/37/98/21/613379821.db2.gz UBKPJQCVFQVCHP-CYBMUJFWSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)C(C)(C)C1 ZINC000974562964 613379985 /nfs/dbraw/zinc/37/99/85/613379985.db2.gz ZJFFGRXUBCXNGR-VHSXEESVSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)C(C)(C)C1 ZINC000974562964 613379986 /nfs/dbraw/zinc/37/99/86/613379986.db2.gz ZJFFGRXUBCXNGR-VHSXEESVSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972817780 613380802 /nfs/dbraw/zinc/38/08/02/613380802.db2.gz KNKDEQMIZLXKQF-NSHDSACASA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972817780 613380803 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643774998 /nfs/dbraw/zinc/77/49/98/643774998.db2.gz SFNSHCXAQICBGX-ZDUSSCGKSA-N 1 2 288.416 2.453 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@H](C2CCCCC2)C1=O ZINC000853508148 643795277 /nfs/dbraw/zinc/79/52/77/643795277.db2.gz BORAWZYZKIDAJI-DZGCQCFKSA-N 1 2 262.397 2.326 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@H](C2CCCCC2)C1=O ZINC000853508148 643795280 /nfs/dbraw/zinc/79/52/80/643795280.db2.gz BORAWZYZKIDAJI-DZGCQCFKSA-N 1 2 262.397 2.326 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2oc(C)nc2C)cc1 ZINC000853655604 643848886 /nfs/dbraw/zinc/84/88/86/643848886.db2.gz YRLDGAALJPNVEN-UHFFFAOYSA-N 1 2 275.308 2.137 20 30 CEEDLO Cc1[nH]c(CN2CCN(c3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000877745123 650891577 /nfs/dbraw/zinc/89/15/77/650891577.db2.gz GLEFBUXOYHWZPA-UHFFFAOYSA-N 1 2 295.390 2.220 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000854701810 644137862 /nfs/dbraw/zinc/13/78/62/644137862.db2.gz WECCMEWHCOKNAN-QGZVFWFLSA-N 1 2 281.359 2.463 20 30 CEEDLO CC1(C)C[C@H](O)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877751627 650894952 /nfs/dbraw/zinc/89/49/52/650894952.db2.gz ICGSDWQVXBAKOC-LBPRGKRZSA-N 1 2 279.771 2.199 20 30 CEEDLO CC1(C)C[C@H](O)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877751627 650894956 /nfs/dbraw/zinc/89/49/56/650894956.db2.gz ICGSDWQVXBAKOC-LBPRGKRZSA-N 1 2 279.771 2.199 20 30 CEEDLO C[C@H](CCC#N)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839464628 644240428 /nfs/dbraw/zinc/24/04/28/644240428.db2.gz YVNDIVZDCBPWPT-LLVKDONJSA-N 1 2 270.336 2.459 20 30 CEEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839464628 644240431 /nfs/dbraw/zinc/24/04/31/644240431.db2.gz YVNDIVZDCBPWPT-LLVKDONJSA-N 1 2 270.336 2.459 20 30 CEEDLO CCCCC1N=NC(=S)N1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753954454 644303815 /nfs/dbraw/zinc/30/38/15/644303815.db2.gz BPJKMLDPYUBRFW-JTQLQIEISA-N 1 2 293.440 2.370 20 30 CEEDLO CCCCC1N=NC(=S)N1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753954454 644303819 /nfs/dbraw/zinc/30/38/19/644303819.db2.gz BPJKMLDPYUBRFW-JTQLQIEISA-N 1 2 293.440 2.370 20 30 CEEDLO C#CCNC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000756899994 644707492 /nfs/dbraw/zinc/70/74/92/644707492.db2.gz RRRNXPBBURATNA-UHFFFAOYSA-N 1 2 286.350 2.054 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cc(-c2ccco2)on1)[C@@H]1CCCO1 ZINC000839563611 644750409 /nfs/dbraw/zinc/75/04/09/644750409.db2.gz JYCRCEDJHOLMAD-STQMWFEESA-N 1 2 272.304 2.205 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000757641883 644829462 /nfs/dbraw/zinc/82/94/62/644829462.db2.gz ILAMZTLMEAJAGM-JTQLQIEISA-N 1 2 270.174 2.118 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000757641883 644829466 /nfs/dbraw/zinc/82/94/66/644829466.db2.gz ILAMZTLMEAJAGM-JTQLQIEISA-N 1 2 270.174 2.118 20 30 CEEDLO Cc1cccc2c1CC[N@H+](Cn1cccc(C#N)c1=O)C2 ZINC000758219691 644902065 /nfs/dbraw/zinc/90/20/65/644902065.db2.gz IQLGOVFARNNJMM-UHFFFAOYSA-N 1 2 279.343 2.044 20 30 CEEDLO Cc1cccc2c1CC[N@@H+](Cn1cccc(C#N)c1=O)C2 ZINC000758219691 644902067 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C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001038988840 810965292 /nfs/dbraw/zinc/96/52/92/810965292.db2.gz DYVBZKURKPIPDB-OAHLLOKOSA-N 1 2 278.355 2.277 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039059942 810976664 /nfs/dbraw/zinc/97/66/64/810976664.db2.gz HOFAVUYOYVTAAQ-ZIAGYGMSSA-N 1 2 262.397 2.027 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039059942 810976669 /nfs/dbraw/zinc/97/66/69/810976669.db2.gz HOFAVUYOYVTAAQ-ZIAGYGMSSA-N 1 2 262.397 2.027 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039060813 810977359 /nfs/dbraw/zinc/97/73/59/810977359.db2.gz MYLSSOXZQXIFIY-KGLIPLIRSA-N 1 2 262.397 2.027 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039060813 810977362 /nfs/dbraw/zinc/97/73/62/810977362.db2.gz MYLSSOXZQXIFIY-KGLIPLIRSA-N 1 2 262.397 2.027 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC)c(CC)c1 ZINC001039098645 810986612 /nfs/dbraw/zinc/98/66/12/810986612.db2.gz 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2.103 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000265980435 344660352 /nfs/dbraw/zinc/66/03/52/344660352.db2.gz DVDMXQREHDWXEI-OCCSQVGLSA-N 1 2 273.336 2.103 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250374053 344633118 /nfs/dbraw/zinc/63/31/18/344633118.db2.gz MWXUTLDJNSZEFM-VXGBXAGGSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250374053 344633122 /nfs/dbraw/zinc/63/31/22/344633122.db2.gz MWXUTLDJNSZEFM-VXGBXAGGSA-N 1 2 253.390 2.161 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364719557 344811621 /nfs/dbraw/zinc/81/16/21/344811621.db2.gz BXIFOHXRYTXYMI-CJNGLKHVSA-N 1 2 269.348 2.369 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364719557 344811625 /nfs/dbraw/zinc/81/16/25/344811625.db2.gz BXIFOHXRYTXYMI-CJNGLKHVSA-N 1 2 269.348 2.369 20 30 CEEDLO COCC[N@@H+](CCC#N)CCOCc1ccccc1 ZINC000381082809 344823816 /nfs/dbraw/zinc/82/38/16/344823816.db2.gz 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/nfs/dbraw/zinc/02/17/32/345021732.db2.gz XWFDTXLBZBFPPD-SECBINFHSA-N 1 2 274.274 2.477 20 30 CEEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](C(F)(F)F)O1 ZINC000590162514 345118789 /nfs/dbraw/zinc/11/87/89/345118789.db2.gz YEMZBIRFMULOFT-LMLFDSFASA-N 1 2 262.275 2.330 20 30 CEEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](C(F)(F)F)O1 ZINC000590162514 345118791 /nfs/dbraw/zinc/11/87/91/345118791.db2.gz YEMZBIRFMULOFT-LMLFDSFASA-N 1 2 262.275 2.330 20 30 CEEDLO N#CC1(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000590196230 345120570 /nfs/dbraw/zinc/12/05/70/345120570.db2.gz RDKSRNBKSHKZEW-LLVKDONJSA-N 1 2 258.325 2.157 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000590601005 345150032 /nfs/dbraw/zinc/15/00/32/345150032.db2.gz OYWCJAWVIMQXRG-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2nc[nH]c2C1 ZINC000590601005 345150035 /nfs/dbraw/zinc/15/00/35/345150035.db2.gz OYWCJAWVIMQXRG-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO Cc1nnsc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000590603507 345151291 /nfs/dbraw/zinc/15/12/91/345151291.db2.gz ZRQVEEUWSZDGFP-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO Cc1nnsc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000590603507 345151293 /nfs/dbraw/zinc/15/12/93/345151293.db2.gz ZRQVEEUWSZDGFP-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO C[C@@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)c1cccc(C#N)c1 ZINC000591148434 345225193 /nfs/dbraw/zinc/22/51/93/345225193.db2.gz XOBMIITXKBQKOW-NWDGAFQWSA-N 1 2 297.362 2.314 20 30 CEEDLO C[C@@H](Nc1cc(NC[C@H](C)O)nc[nH+]1)c1cccc(C#N)c1 ZINC000591148434 345225198 /nfs/dbraw/zinc/22/51/98/345225198.db2.gz XOBMIITXKBQKOW-NWDGAFQWSA-N 1 2 297.362 2.314 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000591260691 345235305 /nfs/dbraw/zinc/23/53/05/345235305.db2.gz DZXYVFCKNAUWFC-MRVPVSSYSA-N 1 2 254.236 2.400 20 30 CEEDLO CC(C)(CC#N)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000590956616 345204957 /nfs/dbraw/zinc/20/49/57/345204957.db2.gz BYIZRIWCRWMXAQ-UHFFFAOYSA-N 1 2 271.324 2.396 20 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/nfs/dbraw/zinc/57/01/46/345570146.db2.gz KBPPUDRRUBIQSO-UHFFFAOYSA-N 1 2 252.321 2.450 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C#N)CC(C)C)ccn12 ZINC000594284577 345608101 /nfs/dbraw/zinc/60/81/01/345608101.db2.gz CIPBADLRZXZYBP-ZDUSSCGKSA-N 1 2 270.336 2.311 20 30 CEEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(CO)o1)C2 ZINC000594612251 345661733 /nfs/dbraw/zinc/66/17/33/345661733.db2.gz MTELEZBAIZILPH-UHFFFAOYSA-N 1 2 254.289 2.159 20 30 CEEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(CO)o1)C2 ZINC000594612251 345661734 /nfs/dbraw/zinc/66/17/34/345661734.db2.gz MTELEZBAIZILPH-UHFFFAOYSA-N 1 2 254.289 2.159 20 30 CEEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)CCCCC1 ZINC000594716626 345678048 /nfs/dbraw/zinc/67/80/48/345678048.db2.gz CRXWVAYEWXHNDA-HNNXBMFYSA-N 1 2 285.391 2.147 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC000594923708 345703706 /nfs/dbraw/zinc/70/37/06/345703706.db2.gz FOTZWLFJXMNVCK-UHFFFAOYSA-N 1 2 287.323 2.052 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2cccnc2N2CCCC2)n1 ZINC000594956044 345715691 /nfs/dbraw/zinc/71/56/91/345715691.db2.gz DRBRUQZGPVAXBP-UHFFFAOYSA-N 1 2 299.403 2.300 20 30 CEEDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ncnn21 ZINC000594957965 345716785 /nfs/dbraw/zinc/71/67/85/345716785.db2.gz WERGADPJLPTVET-NOZJJQNGSA-N 1 2 271.299 2.084 20 30 CEEDLO COc1cccc(OC)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000594966399 345719184 /nfs/dbraw/zinc/71/91/84/345719184.db2.gz ICIOOMLBCHFGFI-UHFFFAOYSA-N 1 2 289.360 2.322 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccncc1C#N ZINC000595680551 345847188 /nfs/dbraw/zinc/84/71/88/345847188.db2.gz IOSJUNHMZWBEEZ-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccncc1C#N ZINC000595680551 345847191 /nfs/dbraw/zinc/84/71/91/345847191.db2.gz IOSJUNHMZWBEEZ-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO Cc1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2C)o1 ZINC000595702446 345854290 /nfs/dbraw/zinc/85/42/90/345854290.db2.gz UUUKMECCRPEBSI-UHFFFAOYSA-N 1 2 256.309 2.190 20 30 CEEDLO Cc1nnc(C[N@H+](C)Cc2ccc(C#N)cc2C)o1 ZINC000595702446 345854293 /nfs/dbraw/zinc/85/42/93/345854293.db2.gz UUUKMECCRPEBSI-UHFFFAOYSA-N 1 2 256.309 2.190 20 30 CEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838646 345894054 /nfs/dbraw/zinc/89/40/54/345894054.db2.gz XJXLCZLOKVAHGY-IIAWOOMASA-N 1 2 277.412 2.259 20 30 CEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838646 345894058 /nfs/dbraw/zinc/89/40/58/345894058.db2.gz XJXLCZLOKVAHGY-IIAWOOMASA-N 1 2 277.412 2.259 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595841719 345895674 /nfs/dbraw/zinc/89/56/74/345895674.db2.gz WXGAPPWOYUEXSK-HZMBPMFUSA-N 1 2 262.309 2.363 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595841719 345895676 /nfs/dbraw/zinc/89/56/76/345895676.db2.gz WXGAPPWOYUEXSK-HZMBPMFUSA-N 1 2 262.309 2.363 20 30 CEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)CC1=CCCOC1 ZINC000595752488 345866392 /nfs/dbraw/zinc/86/63/92/345866392.db2.gz KSJFZFAWWUEIQD-UHFFFAOYSA-N 1 2 260.312 2.476 20 30 CEEDLO C[N@H+](Cc1cc(F)ccc1C#N)CC1=CCCOC1 ZINC000595752488 345866396 /nfs/dbraw/zinc/86/63/96/345866396.db2.gz KSJFZFAWWUEIQD-UHFFFAOYSA-N 1 2 260.312 2.476 20 30 CEEDLO COc1ccc2c(c1)CC[N@@H+](C[C@H](C#N)CCC#N)C2 ZINC000595759722 345869216 /nfs/dbraw/zinc/86/92/16/345869216.db2.gz OHYMEAJELIHMCS-ZDUSSCGKSA-N 1 2 269.348 2.497 20 30 CEEDLO COc1ccc2c(c1)CC[N@H+](C[C@H](C#N)CCC#N)C2 ZINC000595759722 345869217 /nfs/dbraw/zinc/86/92/17/345869217.db2.gz OHYMEAJELIHMCS-ZDUSSCGKSA-N 1 2 269.348 2.497 20 30 CEEDLO N#Cc1cccc(C2([NH2+]CC(F)F)CCOCC2)c1 ZINC000595767421 345872186 /nfs/dbraw/zinc/87/21/86/345872186.db2.gz BEQZZJFEHMHFIG-UHFFFAOYSA-N 1 2 266.291 2.419 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595769243 345872216 /nfs/dbraw/zinc/87/22/16/345872216.db2.gz ULGOKJGQILTQEM-RDJZCZTQSA-N 1 2 289.375 2.386 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595769243 345872218 /nfs/dbraw/zinc/87/22/18/345872218.db2.gz ULGOKJGQILTQEM-RDJZCZTQSA-N 1 2 289.375 2.386 20 30 CEEDLO CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H](C)C#N ZINC000595813307 345883100 /nfs/dbraw/zinc/88/31/00/345883100.db2.gz RQFNPZZLVMXPDG-CYBMUJFWSA-N 1 2 299.374 2.297 20 30 CEEDLO CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H](C)C#N ZINC000595813307 345883105 /nfs/dbraw/zinc/88/31/05/345883105.db2.gz RQFNPZZLVMXPDG-CYBMUJFWSA-N 1 2 299.374 2.297 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)C#N ZINC000595818906 345885312 /nfs/dbraw/zinc/88/53/12/345885312.db2.gz ZYBFAPSESXMQFE-GFCCVEGCSA-N 1 2 270.336 2.121 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)C#N ZINC000595818906 345885315 /nfs/dbraw/zinc/88/53/15/345885315.db2.gz ZYBFAPSESXMQFE-GFCCVEGCSA-N 1 2 270.336 2.121 20 30 CEEDLO COC(=O)c1ccc(C[NH2+][C@H](C)CC#N)c(F)c1 ZINC000596048058 345927763 /nfs/dbraw/zinc/92/77/63/345927763.db2.gz YSLKRVVLBDBMFV-SECBINFHSA-N 1 2 250.273 2.004 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2nccnc2C1 ZINC000595864654 345901056 /nfs/dbraw/zinc/90/10/56/345901056.db2.gz QANCFERDHHOOJJ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2nccnc2C1 ZINC000595864654 345901060 /nfs/dbraw/zinc/90/10/60/345901060.db2.gz QANCFERDHHOOJJ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1nc3ncccc3cc1C#N)CC2 ZINC000596190552 345965550 /nfs/dbraw/zinc/96/55/50/345965550.db2.gz UCMBBYZMODVEMD-UHFFFAOYSA-N 1 2 290.330 2.027 20 30 CEEDLO CCc1nc(C#N)cc(Nc2ccc(N(CC)CC)[nH+]c2)n1 ZINC000596077689 345934798 /nfs/dbraw/zinc/93/47/98/345934798.db2.gz NPWANOPSJWFXEQ-UHFFFAOYSA-N 1 2 296.378 2.317 20 30 CEEDLO Cc1cc(N2CC[C@@H](F)C2)c(C#N)c(N2CC[C@@H](F)C2)[nH+]1 ZINC000596252283 345981358 /nfs/dbraw/zinc/98/13/58/345981358.db2.gz BIANBYPMJCDONJ-VXGBXAGGSA-N 1 2 292.333 2.358 20 30 CEEDLO C=CCCSCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000596716220 346079820 /nfs/dbraw/zinc/07/98/20/346079820.db2.gz GMLNITDPSBDAJF-UHFFFAOYSA-N 1 2 294.424 2.026 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000597177448 346141947 /nfs/dbraw/zinc/14/19/47/346141947.db2.gz MJNXBUSCFWRIDI-MRXNPFEDSA-N 1 2 295.390 2.452 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000597177448 346141949 /nfs/dbraw/zinc/14/19/49/346141949.db2.gz MJNXBUSCFWRIDI-MRXNPFEDSA-N 1 2 295.390 2.452 20 30 CEEDLO Cc1cn2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2[nH+]1 ZINC000597128777 346132115 /nfs/dbraw/zinc/13/21/15/346132115.db2.gz ZJUNBKGSPZZAHY-NSHDSACASA-N 1 2 271.324 2.409 20 30 CEEDLO CCN(CCC#N)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000597128771 346132158 /nfs/dbraw/zinc/13/21/58/346132158.db2.gz ZFJKUKSGEXCQEJ-UHFFFAOYSA-N 1 2 271.324 2.410 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CO[C@H](CC)C1)C(=O)OCC ZINC000597153291 346136891 /nfs/dbraw/zinc/13/68/91/346136891.db2.gz ZKYMRMJCYFCMIG-UPJWGTAASA-N 1 2 255.358 2.041 20 30 CEEDLO N#CCC1C[NH+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000597190851 346144948 /nfs/dbraw/zinc/14/49/48/346144948.db2.gz CAQJHVUJEFNIGM-UHFFFAOYSA-N 1 2 278.739 2.457 20 30 CEEDLO N#CCC1C[NH+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000597203517 346148263 /nfs/dbraw/zinc/14/82/63/346148263.db2.gz JAXQANFXCGXGIE-UHFFFAOYSA-N 1 2 266.247 2.354 20 30 CEEDLO C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1[nH]cc[nH+]1 ZINC000597685370 346214998 /nfs/dbraw/zinc/21/49/98/346214998.db2.gz WJTDMLDGDQZGBW-LLVKDONJSA-N 1 2 260.341 2.451 20 30 CEEDLO C[C@]1(C#N)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000598410694 346349002 /nfs/dbraw/zinc/34/90/02/346349002.db2.gz MIKLWKLFUDGSDA-MRXNPFEDSA-N 1 2 280.331 2.248 20 30 CEEDLO C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000598692087 346402001 /nfs/dbraw/zinc/40/20/01/346402001.db2.gz XBRJCNFRBXCONB-LLVKDONJSA-N 1 2 282.347 2.436 20 30 CEEDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncncc3C#N)C2)c1 ZINC000599101397 346460541 /nfs/dbraw/zinc/46/05/41/346460541.db2.gz PIXVLTAUQOAMJH-GFCCVEGCSA-N 1 2 265.320 2.046 20 30 CEEDLO CCCN1CCC[N@H+](Cc2ccc(C)c(C#N)c2)CC1=O ZINC000599387262 346511433 /nfs/dbraw/zinc/51/14/33/346511433.db2.gz UTKSRJLMYKMPKW-UHFFFAOYSA-N 1 2 285.391 2.311 20 30 CEEDLO CCCN1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)CC1=O ZINC000599387262 346511437 /nfs/dbraw/zinc/51/14/37/346511437.db2.gz UTKSRJLMYKMPKW-UHFFFAOYSA-N 1 2 285.391 2.311 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1C#N ZINC000599388470 346512438 /nfs/dbraw/zinc/51/24/38/346512438.db2.gz IEDBEIYFOJUXGG-ORAYPTAESA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1C#N ZINC000599388470 346512439 /nfs/dbraw/zinc/51/24/39/346512439.db2.gz IEDBEIYFOJUXGG-ORAYPTAESA-N 1 2 276.405 2.210 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599657986 346557019 /nfs/dbraw/zinc/55/70/19/346557019.db2.gz APHRBRRJOWHIHG-LLVKDONJSA-N 1 2 257.374 2.023 20 30 CEEDLO COc1cc(F)cc(OC)c1C[NH2+]C[C@H](C)C#N ZINC000602607938 347099537 /nfs/dbraw/zinc/09/95/37/347099537.db2.gz NLBAPCTUUPDNRL-SECBINFHSA-N 1 2 252.289 2.092 20 30 CEEDLO CCCCCNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599674763 346561426 /nfs/dbraw/zinc/56/14/26/346561426.db2.gz DPJJGWVZLNGDCZ-UHFFFAOYSA-N 1 2 299.418 2.417 20 30 CEEDLO CCCCCNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599674763 346561428 /nfs/dbraw/zinc/56/14/28/346561428.db2.gz DPJJGWVZLNGDCZ-UHFFFAOYSA-N 1 2 299.418 2.417 20 30 CEEDLO Cc1cc(C[NH2+]C[C@@H](C)C#N)ncc1Br ZINC000600145432 346605515 /nfs/dbraw/zinc/60/55/15/346605515.db2.gz QELVCVTVTWTCSS-QMMMGPOBSA-N 1 2 268.158 2.402 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H](C)C1 ZINC000356298235 370647361 /nfs/dbraw/zinc/64/73/61/370647361.db2.gz GMCFYFPBEJAHQO-KOLCDFICSA-N 1 2 251.355 2.014 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H](C)C1 ZINC000356298235 370647365 /nfs/dbraw/zinc/64/73/65/370647365.db2.gz GMCFYFPBEJAHQO-KOLCDFICSA-N 1 2 251.355 2.014 20 30 CEEDLO CC[C@H](CO)Nc1ccc(-c2ccc(C#N)cc2CO)c[nH+]1 ZINC000600780833 346689300 /nfs/dbraw/zinc/68/93/00/346689300.db2.gz NTASFIREUCNJJE-OAHLLOKOSA-N 1 2 297.358 2.295 20 30 CEEDLO C=CCCN(C)c1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000601154165 346771592 /nfs/dbraw/zinc/77/15/92/346771592.db2.gz ZCCSMOLKFYRAQG-UHFFFAOYSA-N 1 2 277.368 2.293 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000356304281 370650501 /nfs/dbraw/zinc/65/05/01/370650501.db2.gz PFPHLGZALZKCEA-NEPJUHHUSA-N 1 2 263.366 2.158 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000356304281 370650506 /nfs/dbraw/zinc/65/05/06/370650506.db2.gz PFPHLGZALZKCEA-NEPJUHHUSA-N 1 2 263.366 2.158 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000602642737 347120256 /nfs/dbraw/zinc/12/02/56/347120256.db2.gz LVCNPMFMGTYYSP-UHFFFAOYSA-N 1 2 274.364 2.231 20 30 CEEDLO N#CCC1(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000602769108 347190276 /nfs/dbraw/zinc/19/02/76/347190276.db2.gz MRWQLAANVUEGJI-UHFFFAOYSA-N 1 2 289.423 2.405 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602818466 347212342 /nfs/dbraw/zinc/21/23/42/347212342.db2.gz YJMWMFHLVUMLNB-LLVKDONJSA-N 1 2 250.342 2.096 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602818466 347212346 /nfs/dbraw/zinc/21/23/46/347212346.db2.gz YJMWMFHLVUMLNB-LLVKDONJSA-N 1 2 250.342 2.096 20 30 CEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602795407 347201728 /nfs/dbraw/zinc/20/17/28/347201728.db2.gz AVJMWYGTOQMGCH-CQSZACIVSA-N 1 2 288.395 2.104 20 30 CEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602795407 347201732 /nfs/dbraw/zinc/20/17/32/347201732.db2.gz AVJMWYGTOQMGCH-CQSZACIVSA-N 1 2 288.395 2.104 20 30 CEEDLO C=C(C)C[C@H]([NH2+]CCCc1ccc(C)nc1)C(=O)OC ZINC000602733555 347176678 /nfs/dbraw/zinc/17/66/78/347176678.db2.gz JCLKDVRIGTYJEG-HNNXBMFYSA-N 1 2 276.380 2.420 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccn(C(C)C)n1)C(=O)OC ZINC000602735399 347178618 /nfs/dbraw/zinc/17/86/18/347178618.db2.gz WNCJJXBQBDFZKU-HIFRSBDPSA-N 1 2 293.411 2.492 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(CC)s2)CC1 ZINC000064443192 362786738 /nfs/dbraw/zinc/78/67/38/362786738.db2.gz XVSHPLXJPQSHAO-UHFFFAOYSA-N 1 2 290.432 2.400 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H](C)N1CC#N ZINC000602854878 347226083 /nfs/dbraw/zinc/22/60/83/347226083.db2.gz DFOZIEQPJDVMIZ-STQMWFEESA-N 1 2 286.354 2.116 20 30 CEEDLO Cc1ccc2nc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)cn2c1 ZINC000602854553 347226357 /nfs/dbraw/zinc/22/63/57/347226357.db2.gz CQKIJPSQYWSKPI-GJZGRUSLSA-N 1 2 297.406 2.061 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000602859675 347227216 /nfs/dbraw/zinc/22/72/16/347227216.db2.gz AAVLMTLELQUVSQ-STQMWFEESA-N 1 2 298.390 2.107 20 30 CEEDLO C[C@H]1C[NH+](Cc2cccc(F)c2F)C[C@H](C)N1CC#N ZINC000602858041 347227538 /nfs/dbraw/zinc/22/75/38/347227538.db2.gz XYRBUYBFMKFKLM-RYUDHWBXSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)N1CC#N ZINC000602860506 347228098 /nfs/dbraw/zinc/22/80/98/347228098.db2.gz IYYADFSUCSFBAZ-CHWSQXEVSA-N 1 2 286.354 2.116 20 30 CEEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602869240 347232160 /nfs/dbraw/zinc/23/21/60/347232160.db2.gz MZSQJYIUDILBHM-RYUDHWBXSA-N 1 2 275.352 2.222 20 30 CEEDLO CC(C)[C@H](CNC(=O)C[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602870410 347232684 /nfs/dbraw/zinc/23/26/84/347232684.db2.gz SYFLIFRIIGIKLY-ZBFHGGJFSA-N 1 2 287.407 2.434 20 30 CEEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCC[C@H](OC)C1 ZINC000602871869 347232917 /nfs/dbraw/zinc/23/29/17/347232917.db2.gz SPHHJRGGRAZALE-MELADBBJSA-N 1 2 294.395 2.017 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880231 347236341 /nfs/dbraw/zinc/23/63/41/347236341.db2.gz JRLZPUOKBOZYLN-AWEZNQCLSA-N 1 2 253.309 2.013 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880231 347236345 /nfs/dbraw/zinc/23/63/45/347236345.db2.gz JRLZPUOKBOZYLN-AWEZNQCLSA-N 1 2 253.309 2.013 20 30 CEEDLO CC(C)(C)OC(=O)[C@H](C1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602903537 347242856 /nfs/dbraw/zinc/24/28/56/347242856.db2.gz RDXORXUYYDIZNW-SWLSCSKDSA-N 1 2 264.369 2.342 20 30 CEEDLO CC(C)(C)OC(=O)[C@H](C1CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000602903537 347242860 /nfs/dbraw/zinc/24/28/60/347242860.db2.gz RDXORXUYYDIZNW-SWLSCSKDSA-N 1 2 264.369 2.342 20 30 CEEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1 ZINC000603142030 347296230 /nfs/dbraw/zinc/29/62/30/347296230.db2.gz AEVDTDYYHJNINF-STQMWFEESA-N 1 2 298.308 2.414 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000602973717 347260454 /nfs/dbraw/zinc/26/04/54/347260454.db2.gz DKZHBPFHRNZVDQ-XGUBFFRZSA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000602973717 347260455 /nfs/dbraw/zinc/26/04/55/347260455.db2.gz DKZHBPFHRNZVDQ-XGUBFFRZSA-N 1 2 277.412 2.115 20 30 CEEDLO Cc1nc(NCC[N@@H+]2CCO[C@H](C)C2)c(Cl)cc1C#N ZINC000568341545 299138797 /nfs/dbraw/zinc/13/87/97/299138797.db2.gz SWMGYKDGFSBQFY-SNVBAGLBSA-N 1 2 294.786 2.048 20 30 CEEDLO Cc1nc(NCC[N@H+]2CCO[C@H](C)C2)c(Cl)cc1C#N ZINC000568341545 299138799 /nfs/dbraw/zinc/13/87/99/299138799.db2.gz SWMGYKDGFSBQFY-SNVBAGLBSA-N 1 2 294.786 2.048 20 30 CEEDLO CC1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602976090 347262380 /nfs/dbraw/zinc/26/23/80/347262380.db2.gz KRJCDLLKYCVWKY-OOJKYFRXSA-N 1 2 277.412 2.305 20 30 CEEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602976090 347262382 /nfs/dbraw/zinc/26/23/82/347262382.db2.gz KRJCDLLKYCVWKY-OOJKYFRXSA-N 1 2 277.412 2.305 20 30 CEEDLO COC(=O)c1coc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602976569 347262396 /nfs/dbraw/zinc/26/23/96/347262396.db2.gz QXOURYWXKPLOHJ-ZWNOBZJWSA-N 1 2 262.309 2.190 20 30 CEEDLO COC(=O)c1coc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602976569 347262397 /nfs/dbraw/zinc/26/23/97/347262397.db2.gz QXOURYWXKPLOHJ-ZWNOBZJWSA-N 1 2 262.309 2.190 20 30 CEEDLO Cn1cc(-c2cc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)on2)cn1 ZINC000602979258 347264139 /nfs/dbraw/zinc/26/41/39/347264139.db2.gz BKXSZGBZPQXQPO-IAQYHMDHSA-N 1 2 285.351 2.199 20 30 CEEDLO Cn1cc(-c2cc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)on2)cn1 ZINC000602979258 347264141 /nfs/dbraw/zinc/26/41/41/347264141.db2.gz BKXSZGBZPQXQPO-IAQYHMDHSA-N 1 2 285.351 2.199 20 30 CEEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(F)c3)CC2)ccn1 ZINC000603012283 347273013 /nfs/dbraw/zinc/27/30/13/347273013.db2.gz ADWPAAIMBUCSGK-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2OC3CCC2CC3)c1 ZINC000603030136 347274780 /nfs/dbraw/zinc/27/47/80/347274780.db2.gz CNLYTNYPHPCJTB-UHFFFAOYSA-N 1 2 285.347 2.445 20 30 CEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2OC3CCC2CC3)c1 ZINC000603030136 347274784 /nfs/dbraw/zinc/27/47/84/347274784.db2.gz CNLYTNYPHPCJTB-UHFFFAOYSA-N 1 2 285.347 2.445 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608783538 347616247 /nfs/dbraw/zinc/61/62/47/347616247.db2.gz ZCCODHULPZEINT-GFCCVEGCSA-N 1 2 284.363 2.193 20 30 CEEDLO N#Cc1cc2c(nc1N1CCC[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000609132963 347626746 /nfs/dbraw/zinc/62/67/46/347626746.db2.gz ZZICMSSNWKEOLE-OAHLLOKOSA-N 1 2 293.374 2.480 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000609537819 347642636 /nfs/dbraw/zinc/64/26/36/347642636.db2.gz DULLAPDXSJTSBZ-GOEBONIOSA-N 1 2 272.396 2.308 20 30 CEEDLO CCC[C@H](C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000609792926 347651195 /nfs/dbraw/zinc/65/11/95/347651195.db2.gz VMPWWXHNXVNJKD-CYBMUJFWSA-N 1 2 268.320 2.294 20 30 CEEDLO Cc1cccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000609894860 347655025 /nfs/dbraw/zinc/65/50/25/347655025.db2.gz GWNHWCFPGUHTTG-MRXNPFEDSA-N 1 2 272.396 2.056 20 30 CEEDLO C[C@@H]1C[N@H+](CCCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000610410740 347679305 /nfs/dbraw/zinc/67/93/05/347679305.db2.gz NRPGVSBCSWZNKE-ZJUUUORDSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H]1C[N@@H+](CCCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000610410740 347679306 /nfs/dbraw/zinc/67/93/06/347679306.db2.gz NRPGVSBCSWZNKE-ZJUUUORDSA-N 1 2 250.264 2.332 20 30 CEEDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000611386411 347771742 /nfs/dbraw/zinc/77/17/42/347771742.db2.gz UWOZUTJBODCFIC-JTQLQIEISA-N 1 2 256.309 2.354 20 30 CEEDLO N#Cc1cc(C[NH+]2CCN(c3cccs3)CC2)ccn1 ZINC000610993780 347728748 /nfs/dbraw/zinc/72/87/48/347728748.db2.gz AVZPXYIMLYNLAU-UHFFFAOYSA-N 1 2 284.388 2.337 20 30 CEEDLO N#CCCN1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000611173602 347747233 /nfs/dbraw/zinc/74/72/33/347747233.db2.gz CEBGZDDNDZLSKJ-UHFFFAOYSA-N 1 2 296.374 2.373 20 30 CEEDLO C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1F ZINC000611521413 347790263 /nfs/dbraw/zinc/79/02/63/347790263.db2.gz DOSXNCSSVJSAIF-SMDDNHRTSA-N 1 2 272.327 2.386 20 30 CEEDLO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1F ZINC000611521413 347790265 /nfs/dbraw/zinc/79/02/65/347790265.db2.gz DOSXNCSSVJSAIF-SMDDNHRTSA-N 1 2 272.327 2.386 20 30 CEEDLO COc1cc(C[NH2+]CCC#N)c(SC)cc1OC ZINC000086498698 179303499 /nfs/dbraw/zinc/30/34/99/179303499.db2.gz UYTNLZPBIQCMOL-UHFFFAOYSA-N 1 2 266.366 2.429 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(CC#N)cc1)CC2 ZINC000612120658 347847118 /nfs/dbraw/zinc/84/71/18/347847118.db2.gz GLUSERJDBNOLHP-UHFFFAOYSA-N 1 2 266.348 2.273 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162005 347851241 /nfs/dbraw/zinc/85/12/41/347851241.db2.gz IUQDSYIQGXUXBF-ZFWWWQNUSA-N 1 2 265.401 2.307 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162005 347851242 /nfs/dbraw/zinc/85/12/42/347851242.db2.gz IUQDSYIQGXUXBF-ZFWWWQNUSA-N 1 2 265.401 2.307 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000612163646 347852347 /nfs/dbraw/zinc/85/23/47/347852347.db2.gz VOSAMSZTBBBKJI-HNNXBMFYSA-N 1 2 263.385 2.015 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000612163646 347852349 /nfs/dbraw/zinc/85/23/49/347852349.db2.gz VOSAMSZTBBBKJI-HNNXBMFYSA-N 1 2 263.385 2.015 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165354 347853064 /nfs/dbraw/zinc/85/30/64/347853064.db2.gz KHCXZWBRKNJALX-KCQAQPDRSA-N 1 2 265.401 2.305 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165354 347853066 /nfs/dbraw/zinc/85/30/66/347853066.db2.gz KHCXZWBRKNJALX-KCQAQPDRSA-N 1 2 265.401 2.305 20 30 CEEDLO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165217 347853090 /nfs/dbraw/zinc/85/30/90/347853090.db2.gz JTYHOOKBDUDTRZ-CQSZACIVSA-N 1 2 252.358 2.344 20 30 CEEDLO CC(C)(C)OC(=O)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165217 347853091 /nfs/dbraw/zinc/85/30/91/347853091.db2.gz JTYHOOKBDUDTRZ-CQSZACIVSA-N 1 2 252.358 2.344 20 30 CEEDLO C=CCC1(CNC(=O)NCc2c[nH+]cn2C)CCCC1 ZINC000454985194 539588830 /nfs/dbraw/zinc/58/88/30/539588830.db2.gz CVIXOSNEMPPTNU-UHFFFAOYSA-N 1 2 276.384 2.356 20 30 CEEDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000130408824 365952151 /nfs/dbraw/zinc/95/21/51/365952151.db2.gz AAWZNVQCJXSBLX-CQSZACIVSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@@H]1COCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130408824 365952157 /nfs/dbraw/zinc/95/21/57/365952157.db2.gz AAWZNVQCJXSBLX-CQSZACIVSA-N 1 2 260.337 2.178 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C#N)cc1C)CC2 ZINC000614407215 348195603 /nfs/dbraw/zinc/19/56/03/348195603.db2.gz 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/nfs/dbraw/zinc/99/68/21/348996821.db2.gz NYYZYAYQIOMPCY-AVGNSLFASA-N 1 2 252.358 2.246 20 30 CEEDLO C=CCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000619104027 349120565 /nfs/dbraw/zinc/12/05/65/349120565.db2.gz ILUNRAQELOFQFH-ZDUSSCGKSA-N 1 2 273.380 2.451 20 30 CEEDLO C=C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000619702006 349222462 /nfs/dbraw/zinc/22/24/62/349222462.db2.gz CGEGETPMXTVKSU-AWEZNQCLSA-N 1 2 292.335 2.235 20 30 CEEDLO C=C[C@H]([NH2+]CCc1c[nH]c2c1cccc2C)C(=O)OC ZINC000619702222 349222520 /nfs/dbraw/zinc/22/25/20/349222520.db2.gz KAGUJHPLALQXCY-AWEZNQCLSA-N 1 2 272.348 2.336 20 30 CEEDLO C=C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)C(=O)OC ZINC000619703857 349224856 /nfs/dbraw/zinc/22/48/56/349224856.db2.gz SSSAURKWECPKAW-AWEZNQCLSA-N 1 2 259.349 2.327 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000624087125 350189416 /nfs/dbraw/zinc/18/94/16/350189416.db2.gz IZIJZTJSQUNUSZ-LLVKDONJSA-N 1 2 276.384 2.169 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000624087125 350189419 /nfs/dbraw/zinc/18/94/19/350189419.db2.gz IZIJZTJSQUNUSZ-LLVKDONJSA-N 1 2 276.384 2.169 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069066067 362954542 /nfs/dbraw/zinc/95/45/42/362954542.db2.gz RNMAQLNBQJADPS-OLZOCXBDSA-N 1 2 277.368 2.281 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069066067 362954544 /nfs/dbraw/zinc/95/45/44/362954544.db2.gz RNMAQLNBQJADPS-OLZOCXBDSA-N 1 2 277.368 2.281 20 30 CEEDLO C=CCN(C(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000271380067 191107281 /nfs/dbraw/zinc/10/72/81/191107281.db2.gz LETMTXDBWIYDHL-UHFFFAOYSA-N 1 2 270.336 2.194 20 30 CEEDLO Cn1cccc1C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000626130765 350663532 /nfs/dbraw/zinc/66/35/32/350663532.db2.gz FCSGMGIXRRUZCV-UHFFFAOYSA-N 1 2 293.370 2.332 20 30 CEEDLO Cn1cccc1C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000626130765 350663534 /nfs/dbraw/zinc/66/35/34/350663534.db2.gz FCSGMGIXRRUZCV-UHFFFAOYSA-N 1 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279.347 2.429 20 30 CEEDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000294897345 199236736 /nfs/dbraw/zinc/23/67/36/199236736.db2.gz YZJUIOXQAIECQI-LLVKDONJSA-N 1 2 269.352 2.329 20 30 CEEDLO CN(Cc1ccc(N)[nH+]c1)c1snc(Cl)c1C#N ZINC000135981583 366486660 /nfs/dbraw/zinc/48/66/60/366486660.db2.gz GTXVRLVLGCAHGX-UHFFFAOYSA-N 1 2 279.756 2.282 20 30 CEEDLO C=CCOCCCC(=O)Nc1c[nH+]ccc1OC ZINC000079843731 363631574 /nfs/dbraw/zinc/63/15/74/363631574.db2.gz GTSPUPAEGLYPNJ-UHFFFAOYSA-N 1 2 250.298 2.012 20 30 CEEDLO N#Cc1cc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000147777572 366578667 /nfs/dbraw/zinc/57/86/67/366578667.db2.gz XZYUFKUWWYFIPD-UHFFFAOYSA-N 1 2 271.280 2.165 20 30 CEEDLO N#CCC[N@H+](CCc1ccncc1)Cc1ccccn1 ZINC000081159320 363704164 /nfs/dbraw/zinc/70/41/64/363704164.db2.gz WQZIMBYBVWYGOS-UHFFFAOYSA-N 1 2 266.348 2.435 20 30 CEEDLO N#CCC[N@@H+](CCc1ccncc1)Cc1ccccn1 ZINC000081159320 363704166 /nfs/dbraw/zinc/70/41/66/363704166.db2.gz WQZIMBYBVWYGOS-UHFFFAOYSA-N 1 2 266.348 2.435 20 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256.309 2.099 20 30 CEEDLO CC1(C)C[NH+](CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000580326386 366776702 /nfs/dbraw/zinc/77/67/02/366776702.db2.gz GZTPOTAOEWWDFT-CYBMUJFWSA-N 1 2 291.782 2.363 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000155211073 366812220 /nfs/dbraw/zinc/81/22/20/366812220.db2.gz FFOAWICAWUWPIC-STQMWFEESA-N 1 2 291.399 2.273 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000155211073 366812225 /nfs/dbraw/zinc/81/22/25/366812225.db2.gz FFOAWICAWUWPIC-STQMWFEESA-N 1 2 291.399 2.273 20 30 CEEDLO C=CC[N@@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000155025997 366803372 /nfs/dbraw/zinc/80/33/72/366803372.db2.gz LXLHFMJDGPGEAH-AWEZNQCLSA-N 1 2 260.337 2.125 20 30 CEEDLO C=CC[N@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000155025997 366803382 /nfs/dbraw/zinc/80/33/82/366803382.db2.gz LXLHFMJDGPGEAH-AWEZNQCLSA-N 1 2 260.337 2.125 20 30 CEEDLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000117875448 291282538 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367367348 /nfs/dbraw/zinc/36/73/48/367367348.db2.gz PWNQLHWIMOGFCX-CHWSQXEVSA-N 1 2 276.384 2.274 20 30 CEEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171020016 367464326 /nfs/dbraw/zinc/46/43/26/367464326.db2.gz POVQUWXUYGVBDU-UHFFFAOYSA-N 1 2 279.409 2.144 20 30 CEEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171020016 367464328 /nfs/dbraw/zinc/46/43/28/367464328.db2.gz POVQUWXUYGVBDU-UHFFFAOYSA-N 1 2 279.409 2.144 20 30 CEEDLO Cc1c[nH+]c(CN(CCC#N)Cc2ccccn2)n1C ZINC000342801504 367544658 /nfs/dbraw/zinc/54/46/58/367544658.db2.gz XDIRWPQLLPEWSJ-UHFFFAOYSA-N 1 2 269.352 2.039 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)C1CC1 ZINC000171725135 367603731 /nfs/dbraw/zinc/60/37/31/367603731.db2.gz LLXWGUOQYHDMGQ-CYBMUJFWSA-N 1 2 282.347 2.017 20 30 CEEDLO COc1ccc2c(c1)C[N@@H+](C[C@H](C#N)CCC#N)CC2 ZINC000171988651 367654824 /nfs/dbraw/zinc/65/48/24/367654824.db2.gz DTRLFYSHTDKMRR-ZDUSSCGKSA-N 1 2 269.348 2.497 20 30 CEEDLO COc1ccc2c(c1)C[N@H+](C[C@H](C#N)CCC#N)CC2 ZINC000171988651 367654829 /nfs/dbraw/zinc/65/48/29/367654829.db2.gz DTRLFYSHTDKMRR-ZDUSSCGKSA-N 1 2 269.348 2.497 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000343611211 367916081 /nfs/dbraw/zinc/91/60/81/367916081.db2.gz DXOORLDJTCCAFU-NSHDSACASA-N 1 2 268.744 2.152 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000343611211 367916084 /nfs/dbraw/zinc/91/60/84/367916084.db2.gz DXOORLDJTCCAFU-NSHDSACASA-N 1 2 268.744 2.152 20 30 CEEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562041 367887022 /nfs/dbraw/zinc/88/70/22/367887022.db2.gz FPQSTLHIEKPOGE-ZDUSSCGKSA-N 1 2 282.351 2.125 20 30 CEEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562041 367887025 /nfs/dbraw/zinc/88/70/25/367887025.db2.gz FPQSTLHIEKPOGE-ZDUSSCGKSA-N 1 2 282.351 2.125 20 30 CEEDLO Cc1cc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)ccc1C#N ZINC000343773457 367996421 /nfs/dbraw/zinc/99/64/21/367996421.db2.gz UZROHJSHYLOTIX-UHFFFAOYSA-N 1 2 297.362 2.070 20 30 CEEDLO C=CCCOCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343727301 367975891 /nfs/dbraw/zinc/97/58/91/367975891.db2.gz SQUBDVQGCIZGAN-AWEZNQCLSA-N 1 2 272.352 2.076 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000180471537 368383240 /nfs/dbraw/zinc/38/32/40/368383240.db2.gz DAHGKLRZTMEBIB-UHFFFAOYSA-N 1 2 259.353 2.331 20 30 CEEDLO N#Cc1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000181368419 368449184 /nfs/dbraw/zinc/44/91/84/368449184.db2.gz QFZQOQXORGQPPQ-UHFFFAOYSA-N 1 2 292.386 2.271 20 30 CEEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000181368419 368449186 /nfs/dbraw/zinc/44/91/86/368449186.db2.gz QFZQOQXORGQPPQ-UHFFFAOYSA-N 1 2 292.386 2.271 20 30 CEEDLO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000346015241 368517078 /nfs/dbraw/zinc/51/70/78/368517078.db2.gz QHIULMDJNGXXFU-GFCCVEGCSA-N 1 2 299.355 2.308 20 30 CEEDLO CC#CCNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000182300107 368548105 /nfs/dbraw/zinc/54/81/05/368548105.db2.gz REUJUDSMKLIAPW-UHFFFAOYSA-N 1 2 271.364 2.211 20 30 CEEDLO 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N#CCC[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000566063482 377716509 /nfs/dbraw/zinc/71/65/09/377716509.db2.gz XSCOBHIAKQYPKG-UHFFFAOYSA-N 1 2 259.231 2.026 20 30 CEEDLO C=CCCCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000566430431 377760448 /nfs/dbraw/zinc/76/04/48/377760448.db2.gz CMRNYQILBRRTTM-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000435582811 377806774 /nfs/dbraw/zinc/80/67/74/377806774.db2.gz BWNUWMYDLGOPSB-AAEUAGOBSA-N 1 2 272.352 2.081 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000435604912 377807010 /nfs/dbraw/zinc/80/70/10/377807010.db2.gz QOVKWUAGCNSMAO-OCCSQVGLSA-N 1 2 259.353 2.169 20 30 CEEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567049182 377795314 /nfs/dbraw/zinc/79/53/14/377795314.db2.gz CCYAKYYVBVMKIO-GFCCVEGCSA-N 1 2 292.346 2.189 20 30 CEEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567049182 377795330 /nfs/dbraw/zinc/79/53/30/377795330.db2.gz CCYAKYYVBVMKIO-GFCCVEGCSA-N 1 2 292.346 2.189 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295202259 378050766 /nfs/dbraw/zinc/05/07/66/378050766.db2.gz SSQBTCNKGQDJOG-CQSZACIVSA-N 1 2 275.396 2.327 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295202259 378050771 /nfs/dbraw/zinc/05/07/71/378050771.db2.gz SSQBTCNKGQDJOG-CQSZACIVSA-N 1 2 275.396 2.327 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000448628489 378176581 /nfs/dbraw/zinc/17/65/81/378176581.db2.gz ASSZSYXQTRFYLW-GUYCJALGSA-N 1 2 294.358 2.097 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1)C[C@H](C)S(C)(=O)=O ZINC000450228126 378320327 /nfs/dbraw/zinc/32/03/27/378320327.db2.gz SYYRSBUPSHXUKS-ZDUSSCGKSA-N 1 2 267.394 2.108 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1)C[C@H](C)S(C)(=O)=O ZINC000450228126 378320331 /nfs/dbraw/zinc/32/03/31/378320331.db2.gz SYYRSBUPSHXUKS-ZDUSSCGKSA-N 1 2 267.394 2.108 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295966627 378373508 /nfs/dbraw/zinc/37/35/08/378373508.db2.gz SCGKXXJZZRCNJF-QWHCGFSZSA-N 1 2 291.395 2.311 20 30 CEEDLO C=CCOCCCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295991700 378384200 /nfs/dbraw/zinc/38/42/00/378384200.db2.gz UTMJLFFKZDXZFV-CQSZACIVSA-N 1 2 291.395 2.312 20 30 CEEDLO CC[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H](CC)CN1C(C)=O ZINC000450454935 378426137 /nfs/dbraw/zinc/42/61/37/378426137.db2.gz PHKNTZFFIUXKOZ-HUUCEWRRSA-N 1 2 277.412 2.402 20 30 CEEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](CC)CN1C(C)=O ZINC000450454935 378426144 /nfs/dbraw/zinc/42/61/44/378426144.db2.gz PHKNTZFFIUXKOZ-HUUCEWRRSA-N 1 2 277.412 2.402 20 30 CEEDLO C[N@H+](CC1(C#N)CCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000450563864 378478537 /nfs/dbraw/zinc/47/85/37/378478537.db2.gz XJZFLIJUVSKXEZ-HNNXBMFYSA-N 1 2 283.375 2.418 20 30 CEEDLO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000450563864 378478542 /nfs/dbraw/zinc/47/85/42/378478542.db2.gz XJZFLIJUVSKXEZ-HNNXBMFYSA-N 1 2 283.375 2.418 20 30 CEEDLO C#C[C@@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)C(C)C ZINC000296554703 378572767 /nfs/dbraw/zinc/57/27/67/378572767.db2.gz RJZMDKHOUUHUIH-CYBMUJFWSA-N 1 2 270.336 2.422 20 30 CEEDLO C=C(C)CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296719534 378628433 /nfs/dbraw/zinc/62/84/33/378628433.db2.gz FWILLFULLLENGY-NSHDSACASA-N 1 2 262.357 2.089 20 30 CEEDLO CC(C)CN1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000299336766 378966583 /nfs/dbraw/zinc/96/65/83/378966583.db2.gz OOMBCKZMLUGUHE-AWEZNQCLSA-N 1 2 285.391 2.419 20 30 CEEDLO CC(C)CN1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000299336766 378966587 /nfs/dbraw/zinc/96/65/87/378966587.db2.gz OOMBCKZMLUGUHE-AWEZNQCLSA-N 1 2 285.391 2.419 20 30 CEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccccc2n1 ZINC000516230093 379267503 /nfs/dbraw/zinc/26/75/03/379267503.db2.gz FDSURPQOWDAGES-QGZVFWFLSA-N 1 2 296.374 2.117 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc(CC)[nH+]c(C)n2)n1 ZINC000278910539 194207896 /nfs/dbraw/zinc/20/78/96/194207896.db2.gz RWQKHMKCAPRXQR-UHFFFAOYSA-N 1 2 283.379 2.204 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000266902661 190289338 /nfs/dbraw/zinc/28/93/38/190289338.db2.gz GWGKORXJHDSRAW-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000266902661 190289339 /nfs/dbraw/zinc/28/93/39/190289339.db2.gz GWGKORXJHDSRAW-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000266916953 190290447 /nfs/dbraw/zinc/29/04/47/190290447.db2.gz KTKPUNYDJWBGIP-UHFFFAOYSA-N 1 2 275.739 2.444 20 30 CEEDLO C#CC[N@H+](CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000266916953 190290448 /nfs/dbraw/zinc/29/04/48/190290448.db2.gz KTKPUNYDJWBGIP-UHFFFAOYSA-N 1 2 275.739 2.444 20 30 CEEDLO CCN(CC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000526083625 379699655 /nfs/dbraw/zinc/69/96/55/379699655.db2.gz FXXCPHIPHVKSNO-UHFFFAOYSA-N 1 2 254.337 2.277 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc2n1CCC2 ZINC000527191101 379730651 /nfs/dbraw/zinc/73/06/51/379730651.db2.gz KTJGAKGKRFOAMV-GFCCVEGCSA-N 1 2 281.363 2.289 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc2n1CCC2 ZINC000527191101 379730656 /nfs/dbraw/zinc/73/06/56/379730656.db2.gz KTJGAKGKRFOAMV-GFCCVEGCSA-N 1 2 281.363 2.289 20 30 CEEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000459714046 380066091 /nfs/dbraw/zinc/06/60/91/380066091.db2.gz STAZWXRBILARDI-UHFFFAOYSA-N 1 2 269.352 2.264 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)ccc1F ZINC000268210684 190386264 /nfs/dbraw/zinc/38/62/64/190386264.db2.gz JZQFNNBNUFMZEG-HUUCEWRRSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ccc1F ZINC000268210684 190386265 /nfs/dbraw/zinc/38/62/65/190386265.db2.gz JZQFNNBNUFMZEG-HUUCEWRRSA-N 1 2 260.312 2.451 20 30 CEEDLO C=CC[N@@H+]([C@H](C)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000541221077 380270774 /nfs/dbraw/zinc/27/07/74/380270774.db2.gz BZVZJJICNNLPPM-OCCSQVGLSA-N 1 2 299.461 2.354 20 30 CEEDLO C=CC[N@H+]([C@H](C)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000541221077 380270778 /nfs/dbraw/zinc/27/07/78/380270778.db2.gz BZVZJJICNNLPPM-OCCSQVGLSA-N 1 2 299.461 2.354 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000491760185 380348749 /nfs/dbraw/zinc/34/87/49/380348749.db2.gz PQIVIVJSWKBVNG-RYUDHWBXSA-N 1 2 252.358 2.154 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000491760185 380348753 /nfs/dbraw/zinc/34/87/53/380348753.db2.gz PQIVIVJSWKBVNG-RYUDHWBXSA-N 1 2 252.358 2.154 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000491804811 380351473 /nfs/dbraw/zinc/35/14/73/380351473.db2.gz MQTFHTUXMHGJBM-AWEZNQCLSA-N 1 2 292.766 2.003 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000491804811 380351480 /nfs/dbraw/zinc/35/14/80/380351480.db2.gz MQTFHTUXMHGJBM-AWEZNQCLSA-N 1 2 292.766 2.003 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1F ZINC000334448994 380427459 /nfs/dbraw/zinc/42/74/59/380427459.db2.gz JLOKTHKASCGRCR-LBPRGKRZSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1F ZINC000334448994 380427464 /nfs/dbraw/zinc/42/74/64/380427464.db2.gz JLOKTHKASCGRCR-LBPRGKRZSA-N 1 2 288.244 2.196 20 30 CEEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)cn2)s1 ZINC000551098284 380635786 /nfs/dbraw/zinc/63/57/86/380635786.db2.gz XWAUGWBDJBQXLR-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)cn2)s1 ZINC000551098284 380635791 /nfs/dbraw/zinc/63/57/91/380635791.db2.gz XWAUGWBDJBQXLR-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]cn1C ZINC000554540158 380780121 /nfs/dbraw/zinc/78/01/21/380780121.db2.gz ALNCOMCYQUHBHK-UHFFFAOYSA-N 1 2 294.358 2.049 20 30 CEEDLO CCC[C@H](C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000555134672 380811637 /nfs/dbraw/zinc/81/16/37/380811637.db2.gz CLJORDGLVFQEJB-OAHLLOKOSA-N 1 2 282.347 2.353 20 30 CEEDLO Cc1ccc2c(c1)nc(C[NH2+]C[C@@H](C#N)CCC#N)n2C ZINC000555307773 380820672 /nfs/dbraw/zinc/82/06/72/380820672.db2.gz OFXUGGATXBSNNP-CYBMUJFWSA-N 1 2 281.363 2.415 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000555903688 380856907 /nfs/dbraw/zinc/85/69/07/380856907.db2.gz BDJJPSFVZKPKHY-MRXNPFEDSA-N 1 2 282.347 2.353 20 30 CEEDLO C=CCCCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000556193056 380882743 /nfs/dbraw/zinc/88/27/43/380882743.db2.gz VSZYEWOIZZBYRF-LBPRGKRZSA-N 1 2 257.399 2.323 20 30 CEEDLO C=CCCCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000556193056 380882756 /nfs/dbraw/zinc/88/27/56/380882756.db2.gz VSZYEWOIZZBYRF-LBPRGKRZSA-N 1 2 257.399 2.323 20 30 CEEDLO C=CCOc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493325024 380923135 /nfs/dbraw/zinc/92/31/35/380923135.db2.gz QVCOPMGLLCQWDW-YVMONPNESA-N 1 2 283.331 2.304 20 30 CEEDLO CC(C)N1C(=O)C[N@H+](Cc2cc(C#N)cs2)CC1(C)C ZINC000353717298 220278140 /nfs/dbraw/zinc/27/81/40/220278140.db2.gz VKOKESRWLPQABP-UHFFFAOYSA-N 1 2 291.420 2.451 20 30 CEEDLO CC(C)N1C(=O)C[N@@H+](Cc2cc(C#N)cs2)CC1(C)C ZINC000353717298 220278145 /nfs/dbraw/zinc/27/81/45/220278145.db2.gz VKOKESRWLPQABP-UHFFFAOYSA-N 1 2 291.420 2.451 20 30 CEEDLO C#Cc1cccc(N(CC)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493835965 381148884 /nfs/dbraw/zinc/14/88/84/381148884.db2.gz KYLSMHAPYONJHC-HJWRWDBZSA-N 1 2 265.316 2.457 20 30 CEEDLO C[C@@H](C#N)C[N@H+](CCNC(=O)OC(C)(C)C)C1CC1 ZINC000494135237 381154063 /nfs/dbraw/zinc/15/40/63/381154063.db2.gz SMWDTBWVSGIIHZ-NSHDSACASA-N 1 2 267.373 2.135 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](CCNC(=O)OC(C)(C)C)C1CC1 ZINC000494135237 381154072 /nfs/dbraw/zinc/15/40/72/381154072.db2.gz SMWDTBWVSGIIHZ-NSHDSACASA-N 1 2 267.373 2.135 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC3(C#N)CC3)[C@@H]2C1 ZINC000496763207 381226359 /nfs/dbraw/zinc/22/63/59/381226359.db2.gz JORBRCYGNGUTFC-CHWSQXEVSA-N 1 2 291.395 2.231 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC3(C#N)CC3)[C@@H]2C1 ZINC000496763207 381226363 /nfs/dbraw/zinc/22/63/63/381226363.db2.gz JORBRCYGNGUTFC-CHWSQXEVSA-N 1 2 291.395 2.231 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)Cc1ccccc1 ZINC000353753045 220305939 /nfs/dbraw/zinc/30/59/39/220305939.db2.gz URZNZJFFSXGHCG-CQSZACIVSA-N 1 2 287.388 2.050 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)Cc1ccccc1 ZINC000353753045 220305942 /nfs/dbraw/zinc/30/59/42/220305942.db2.gz URZNZJFFSXGHCG-CQSZACIVSA-N 1 2 287.388 2.050 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000192219557 533111281 /nfs/dbraw/zinc/11/12/81/533111281.db2.gz RYSDHXHXNZJPHP-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000192219557 533111287 /nfs/dbraw/zinc/11/12/87/533111287.db2.gz RYSDHXHXNZJPHP-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336598049 533119137 /nfs/dbraw/zinc/11/91/37/533119137.db2.gz JWBHAIQKPCBNMN-VIFPVBQESA-N 1 2 258.256 2.110 20 30 CEEDLO C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329182820 533638046 /nfs/dbraw/zinc/63/80/46/533638046.db2.gz PFCMAUDVADIRAA-OLZOCXBDSA-N 1 2 276.384 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C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511926 415309450 /nfs/dbraw/zinc/30/94/50/415309450.db2.gz NGJYZFHRZHERMJ-RISCZKNCSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CC[N@@H+](Cc1nnnn1C(C)(C)C)C(C)(C)C ZINC000661759877 415448400 /nfs/dbraw/zinc/44/84/00/415448400.db2.gz KSKAQVDDGCWVEZ-UHFFFAOYSA-N 1 2 251.378 2.215 20 30 CEEDLO C=CC[N@H+](Cc1nnnn1C(C)(C)C)C(C)(C)C ZINC000661759877 415448405 /nfs/dbraw/zinc/44/84/05/415448405.db2.gz KSKAQVDDGCWVEZ-UHFFFAOYSA-N 1 2 251.378 2.215 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)nn1 ZINC000661979000 415555916 /nfs/dbraw/zinc/55/59/16/415555916.db2.gz RWYXXRRIQIXOQM-AWEZNQCLSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)nn1 ZINC000661979000 415555920 /nfs/dbraw/zinc/55/59/20/415555920.db2.gz RWYXXRRIQIXOQM-AWEZNQCLSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000662092569 415621570 /nfs/dbraw/zinc/62/15/70/415621570.db2.gz QSYJQDXZKUYXOI-QWHCGFSZSA-N 1 2 276.384 2.479 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1cc(-c2cccs2)on1 ZINC000662167883 415669045 /nfs/dbraw/zinc/66/90/45/415669045.db2.gz QHKRPOPOJAFUHU-SECBINFHSA-N 1 2 250.323 2.040 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCCCC2(F)F)nn1 ZINC000656463880 415720537 /nfs/dbraw/zinc/72/05/37/415720537.db2.gz QPYXBNWTUXJYOJ-GFCCVEGCSA-N 1 2 282.338 2.217 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCN(CC)C1=O ZINC000659852241 415733172 /nfs/dbraw/zinc/73/31/72/415733172.db2.gz MSBDGINWXFQPHQ-HNNXBMFYSA-N 1 2 276.355 2.435 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCN(CC)C1=O ZINC000659852241 415733177 /nfs/dbraw/zinc/73/31/77/415733177.db2.gz MSBDGINWXFQPHQ-HNNXBMFYSA-N 1 2 276.355 2.435 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC[S@@]1=O ZINC000336591021 227143830 /nfs/dbraw/zinc/14/38/30/227143830.db2.gz WXQSPDVAUKCDDB-RBZFPXEDSA-N 1 2 290.432 2.441 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[S@@]1=O ZINC000336591021 227143836 /nfs/dbraw/zinc/14/38/36/227143836.db2.gz WXQSPDVAUKCDDB-RBZFPXEDSA-N 1 2 290.432 2.441 20 30 CEEDLO Cc1nnc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)s1 ZINC000329135385 227319846 /nfs/dbraw/zinc/31/98/46/227319846.db2.gz CDCWCUJKBPMJBQ-LBPRGKRZSA-N 1 2 294.424 2.425 20 30 CEEDLO Cc1nnc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)s1 ZINC000329135385 227319851 /nfs/dbraw/zinc/31/98/51/227319851.db2.gz CDCWCUJKBPMJBQ-LBPRGKRZSA-N 1 2 294.424 2.425 20 30 CEEDLO CC#CCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000154863501 261095673 /nfs/dbraw/zinc/09/56/73/261095673.db2.gz MSLIRETZWHQFLI-UHFFFAOYSA-N 1 2 286.379 2.122 20 30 CEEDLO C=CCCCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000448393097 261140543 /nfs/dbraw/zinc/14/05/43/261140543.db2.gz XTPMTVUBZBFUSQ-UHFFFAOYSA-N 1 2 276.384 2.327 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H](C)CC#N)cc12 ZINC000161810449 261260596 /nfs/dbraw/zinc/26/05/96/261260596.db2.gz ZAZTVQXHSCXPAX-JTQLQIEISA-N 1 2 257.341 2.011 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+](C)[C@@H](C)CC#N)cc12 ZINC000161810449 261260598 /nfs/dbraw/zinc/26/05/98/261260598.db2.gz ZAZTVQXHSCXPAX-JTQLQIEISA-N 1 2 257.341 2.011 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000491415005 261556445 /nfs/dbraw/zinc/55/64/45/261556445.db2.gz FPFDHAWEQQXDRD-NSHDSACASA-N 1 2 262.378 2.301 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000491415005 261556447 /nfs/dbraw/zinc/55/64/47/261556447.db2.gz FPFDHAWEQQXDRD-NSHDSACASA-N 1 2 262.378 2.301 20 30 CEEDLO C#CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)C1CC1 ZINC000491817452 262090421 /nfs/dbraw/zinc/09/04/21/262090421.db2.gz ONSONPDBVIYBJT-UHFFFAOYSA-N 1 2 267.332 2.120 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)cn3)ccc2n1C ZINC000525775009 262198547 /nfs/dbraw/zinc/19/85/47/262198547.db2.gz BIHXTJNZHDEBCC-UHFFFAOYSA-N 1 2 291.314 2.401 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000192235550 262200552 /nfs/dbraw/zinc/20/05/52/262200552.db2.gz CBSVUBPOQOEUQK-UHFFFAOYSA-N 1 2 283.375 2.115 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000192235550 262200554 /nfs/dbraw/zinc/20/05/54/262200554.db2.gz CBSVUBPOQOEUQK-UHFFFAOYSA-N 1 2 283.375 2.115 20 30 CEEDLO C=CCCCCCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000364526777 262252927 /nfs/dbraw/zinc/25/29/27/262252927.db2.gz JNZXKPLSIKOZTA-LLVKDONJSA-N 1 2 260.328 2.188 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc(CO)cc1 ZINC000272200153 263002734 /nfs/dbraw/zinc/00/27/34/263002734.db2.gz GICOZOOICJQZSX-GFCCVEGCSA-N 1 2 280.368 2.029 20 30 CEEDLO CC[N@@H+](CCC#N)CCOc1ccccc1C(=O)OC ZINC000272750912 263008466 /nfs/dbraw/zinc/00/84/66/263008466.db2.gz ADFFZRPLYPWEOV-UHFFFAOYSA-N 1 2 276.336 2.088 20 30 CEEDLO CC[N@H+](CCC#N)CCOc1ccccc1C(=O)OC ZINC000272750912 263008467 /nfs/dbraw/zinc/00/84/67/263008467.db2.gz ADFFZRPLYPWEOV-UHFFFAOYSA-N 1 2 276.336 2.088 20 30 CEEDLO CC1(C#N)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000273049450 263011840 /nfs/dbraw/zinc/01/18/40/263011840.db2.gz WKXZQKNNCCKYDK-UHFFFAOYSA-N 1 2 295.346 2.033 20 30 CEEDLO CNC(=O)C1CCC(/[NH+]=C/c2cc(OC)ccc2O)CC1 ZINC000273158893 263013523 /nfs/dbraw/zinc/01/35/23/263013523.db2.gz ASUSMOHWMNSOQF-VCHYOVAHSA-N 1 2 290.363 2.125 20 30 CEEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000276342776 263036372 /nfs/dbraw/zinc/03/63/72/263036372.db2.gz UOIDOAQVPSCTHX-AWEZNQCLSA-N 1 2 271.364 2.137 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(CC#N)cc1 ZINC000340070838 263066562 /nfs/dbraw/zinc/06/65/62/263066562.db2.gz LLBPAITXJIFMKR-UHFFFAOYSA-N 1 2 294.358 2.144 20 30 CEEDLO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)nn1 ZINC000283143424 263081479 /nfs/dbraw/zinc/08/14/79/263081479.db2.gz OCVXRFCELJBTTR-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)nn1 ZINC000283143424 263081480 /nfs/dbraw/zinc/08/14/80/263081480.db2.gz OCVXRFCELJBTTR-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO NC(=[NH+]OCc1cc(F)ccc1Cl)[C@H]1CCCO1 ZINC000284406244 263086789 /nfs/dbraw/zinc/08/67/89/263086789.db2.gz NIANQBFALKERIT-LLVKDONJSA-N 1 2 272.707 2.447 20 30 CEEDLO Oc1ccc(/C=[NH+]/C[C@H]2CCCSC2)c(O)c1O ZINC000287037811 263100770 /nfs/dbraw/zinc/10/07/70/263100770.db2.gz HRRHSCNFMPQROV-CULDGANSSA-N 1 2 267.350 2.366 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCC=C(C)C)cc1OC ZINC000288619989 263105108 /nfs/dbraw/zinc/10/51/08/263105108.db2.gz OHYSGZJVWZWHNL-UHFFFAOYSA-N 1 2 264.325 2.307 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1cccc(C)c1 ZINC000292154447 263129197 /nfs/dbraw/zinc/12/91/97/263129197.db2.gz KMFJJXBPLUBXDU-HNNXBMFYSA-N 1 2 274.364 2.136 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1cccc(C)c1 ZINC000292154447 263129198 /nfs/dbraw/zinc/12/91/98/263129198.db2.gz KMFJJXBPLUBXDU-HNNXBMFYSA-N 1 2 274.364 2.136 20 30 CEEDLO Cc1[nH+]c2cc(OC(=O)C(C)(C)C#N)ccc2n1C ZINC000297693320 263208305 /nfs/dbraw/zinc/20/83/05/263208305.db2.gz HMLUKWADMKUZKE-UHFFFAOYSA-N 1 2 257.293 2.337 20 30 CEEDLO C[C@H](CCC#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297882340 263211408 /nfs/dbraw/zinc/21/14/08/263211408.db2.gz NMGFUILKOCOEBC-OAHLLOKOSA-N 1 2 282.391 2.368 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000299175102 263233352 /nfs/dbraw/zinc/23/33/52/263233352.db2.gz WITWUMOHMQHNOG-NWDGAFQWSA-N 1 2 293.798 2.436 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000299175102 263233355 /nfs/dbraw/zinc/23/33/55/263233355.db2.gz WITWUMOHMQHNOG-NWDGAFQWSA-N 1 2 293.798 2.436 20 30 CEEDLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000453326160 263234114 /nfs/dbraw/zinc/23/41/14/263234114.db2.gz XWUZLJWAEMJEQE-XQQFMLRXSA-N 1 2 252.358 2.244 20 30 CEEDLO C[C@@H]([NH2+]CCC#N)c1cccc(N2CCCC2=O)c1 ZINC000299734857 263254437 /nfs/dbraw/zinc/25/44/37/263254437.db2.gz ZZWDWZKNXUGGAA-GFCCVEGCSA-N 1 2 257.337 2.378 20 30 CEEDLO C=C(CNc1[nH+]cnc(-n2cccn2)c1N)c1ccccc1 ZINC000340881100 263311440 /nfs/dbraw/zinc/31/14/40/263311440.db2.gz RLHPNGIJKRCDMR-UHFFFAOYSA-N 1 2 292.346 2.370 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000341999725 263375405 /nfs/dbraw/zinc/37/54/05/263375405.db2.gz YBWJYNYZBXRTCN-UHFFFAOYSA-N 1 2 276.384 2.216 20 30 CEEDLO Cc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330802137 264041790 /nfs/dbraw/zinc/04/17/90/264041790.db2.gz AOAUFFXEUVGYSN-TZMCWYRMSA-N 1 2 257.337 2.215 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000330868226 264058379 /nfs/dbraw/zinc/05/83/79/264058379.db2.gz YJLLOHVUXBLXKB-NHCYSSNCSA-N 1 2 292.770 2.344 20 30 CEEDLO Cc1nnc(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)[nH]1 ZINC000331314090 264187468 /nfs/dbraw/zinc/18/74/68/264187468.db2.gz IKAWYFBZDGWIKG-UHFFFAOYSA-N 1 2 288.355 2.002 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000287274117 264616583 /nfs/dbraw/zinc/61/65/83/264616583.db2.gz LKMJEBQGKADDJY-CQSZACIVSA-N 1 2 267.332 2.083 20 30 CEEDLO C=C[C@](C)(O)CC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294382006 265015174 /nfs/dbraw/zinc/01/51/74/265015174.db2.gz YZEUOFBVLOJKJN-WBVHZDCISA-N 1 2 299.374 2.285 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(C)(C#N)C1)C2 ZINC000519263208 265378632 /nfs/dbraw/zinc/37/86/32/265378632.db2.gz OZOOMZIYRAPUQB-NSHDSACASA-N 1 2 286.379 2.010 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(C)(C#N)C1)CC2 ZINC000519263208 265378634 /nfs/dbraw/zinc/37/86/34/265378634.db2.gz OZOOMZIYRAPUQB-NSHDSACASA-N 1 2 286.379 2.010 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCc1cccs1 ZINC000356475614 266121907 /nfs/dbraw/zinc/12/19/07/266121907.db2.gz MUUNDDKDQANZDC-QWHCGFSZSA-N 1 2 293.436 2.277 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCc1cccs1 ZINC000356475614 266121911 /nfs/dbraw/zinc/12/19/11/266121911.db2.gz MUUNDDKDQANZDC-QWHCGFSZSA-N 1 2 293.436 2.277 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000356474844 266122005 /nfs/dbraw/zinc/12/20/05/266122005.db2.gz LIPUWMPGCCAGEI-KBUPBQIOSA-N 1 2 279.428 2.361 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000356474844 266122010 /nfs/dbraw/zinc/12/20/10/266122010.db2.gz LIPUWMPGCCAGEI-KBUPBQIOSA-N 1 2 279.428 2.361 20 30 CEEDLO C=C[C@@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000356847235 266187338 /nfs/dbraw/zinc/18/73/38/266187338.db2.gz KEHBNXSUYRRJSC-AWEZNQCLSA-N 1 2 298.342 2.459 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356936842 266213806 /nfs/dbraw/zinc/21/38/06/266213806.db2.gz NDRPATKDUZKZJM-UHFFFAOYSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356936842 266213810 /nfs/dbraw/zinc/21/38/10/266213810.db2.gz NDRPATKDUZKZJM-UHFFFAOYSA-N 1 2 288.391 2.304 20 30 CEEDLO CC[N@H+](CCCNC(=O)[C@H](C)C#N)c1ccccc1 ZINC000357798546 266364372 /nfs/dbraw/zinc/36/43/72/266364372.db2.gz LYBMWIFXHURGSY-CYBMUJFWSA-N 1 2 259.353 2.179 20 30 CEEDLO CC[N@@H+](CCCNC(=O)[C@H](C)C#N)c1ccccc1 ZINC000357798546 266364373 /nfs/dbraw/zinc/36/43/73/266364373.db2.gz LYBMWIFXHURGSY-CYBMUJFWSA-N 1 2 259.353 2.179 20 30 CEEDLO C=C[C@H](C)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000362659048 267030439 /nfs/dbraw/zinc/03/04/39/267030439.db2.gz SHHIFSXIOPJRAU-NSHDSACASA-N 1 2 272.352 2.218 20 30 CEEDLO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(=O)OC ZINC000419369230 267196266 /nfs/dbraw/zinc/19/62/66/267196266.db2.gz HHZUZSRXICNHBF-HUUCEWRRSA-N 1 2 272.348 2.477 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)c1ccc(C#N)cc1 ZINC000492458132 267255607 /nfs/dbraw/zinc/25/56/07/267255607.db2.gz OAHHHMHIJOBVJU-HJWRWDBZSA-N 1 2 280.331 2.451 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CCC#N)C2 ZINC000369645315 267256618 /nfs/dbraw/zinc/25/66/18/267256618.db2.gz CCVSEKSRROMGMW-NSHDSACASA-N 1 2 274.368 2.010 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CCC#N)CC2 ZINC000369645315 267256622 /nfs/dbraw/zinc/25/66/22/267256622.db2.gz CCVSEKSRROMGMW-NSHDSACASA-N 1 2 274.368 2.010 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000452572766 267257539 /nfs/dbraw/zinc/25/75/39/267257539.db2.gz VCQBCCSDYZJPSE-UHFFFAOYSA-N 1 2 294.358 2.123 20 30 CEEDLO Cc1cc(NC[C@@H](C)c2nccs2)c(C#N)c[nH+]1 ZINC000399532304 267299903 /nfs/dbraw/zinc/29/99/03/267299903.db2.gz VKEXTNXHANRTSV-SECBINFHSA-N 1 2 258.350 2.356 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000459295213 267309826 /nfs/dbraw/zinc/30/98/26/267309826.db2.gz HLMRIKBJCSMRFT-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000459295213 267309829 /nfs/dbraw/zinc/30/98/29/267309829.db2.gz HLMRIKBJCSMRFT-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO C[NH2+]Cc1noc(C(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000414637321 267350758 /nfs/dbraw/zinc/35/07/58/267350758.db2.gz BYHIGVWGHMBECE-UHFFFAOYSA-N 1 2 270.336 2.181 20 30 CEEDLO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428217563 267384775 /nfs/dbraw/zinc/38/47/75/267384775.db2.gz JYIIYHDDNTULSB-LBPRGKRZSA-N 1 2 276.311 2.082 20 30 CEEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428217563 267384783 /nfs/dbraw/zinc/38/47/83/267384783.db2.gz JYIIYHDDNTULSB-LBPRGKRZSA-N 1 2 276.311 2.082 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371374191 267395389 /nfs/dbraw/zinc/39/53/89/267395389.db2.gz PWGPUADHCLZMCH-OAHLLOKOSA-N 1 2 283.331 2.419 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371374191 267395395 /nfs/dbraw/zinc/39/53/95/267395395.db2.gz PWGPUADHCLZMCH-OAHLLOKOSA-N 1 2 283.331 2.419 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000375032087 267827087 /nfs/dbraw/zinc/82/70/87/267827087.db2.gz QMLFUVPSHSYAMD-SFHVURJKSA-N 1 2 291.354 2.449 20 30 CEEDLO C=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000377135689 268050369 /nfs/dbraw/zinc/05/03/69/268050369.db2.gz GCOTUURVGONXLU-HNNXBMFYSA-N 1 2 281.359 2.275 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]12CCOC2 ZINC000459463888 268289749 /nfs/dbraw/zinc/28/97/49/268289749.db2.gz VWBMPQDMOZIZQD-OAHLLOKOSA-N 1 2 287.319 2.221 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@]12CCOC2 ZINC000459463888 268289751 /nfs/dbraw/zinc/28/97/51/268289751.db2.gz VWBMPQDMOZIZQD-OAHLLOKOSA-N 1 2 287.319 2.221 20 30 CEEDLO N#Cc1cccc2c1CCN2CCCn1cc[nH+]c1 ZINC000420979508 268294784 /nfs/dbraw/zinc/29/47/84/268294784.db2.gz ZCXPQXWONMLYSK-UHFFFAOYSA-N 1 2 252.321 2.208 20 30 CEEDLO Cc1cc(N2CCN(c3ccccc3O)CC2)c(C#N)c[nH+]1 ZINC000425206042 271138414 /nfs/dbraw/zinc/13/84/14/271138414.db2.gz XCYUHTLGNJXXAD-UHFFFAOYSA-N 1 2 294.358 2.294 20 30 CEEDLO CC(C)CN1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000426235124 271206488 /nfs/dbraw/zinc/20/64/88/271206488.db2.gz FVJRTZAHYWRMJM-CQSZACIVSA-N 1 2 285.391 2.247 20 30 CEEDLO CC(C)CN1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000426235124 271206491 /nfs/dbraw/zinc/20/64/91/271206491.db2.gz FVJRTZAHYWRMJM-CQSZACIVSA-N 1 2 285.391 2.247 20 30 CEEDLO OC[C@H]1CSCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000343762141 275050091 /nfs/dbraw/zinc/05/00/91/275050091.db2.gz KIFJDOWOODAFFO-AWEZNQCLSA-N 1 2 281.808 2.101 20 30 CEEDLO OC[C@H]1CSCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000343762141 275050092 /nfs/dbraw/zinc/05/00/92/275050092.db2.gz KIFJDOWOODAFFO-AWEZNQCLSA-N 1 2 281.808 2.101 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336277065 276915788 /nfs/dbraw/zinc/91/57/88/276915788.db2.gz QKYSLNLUYNAXPR-QWHCGFSZSA-N 1 2 259.353 2.013 20 30 CEEDLO Cc1c(Cl)cnc(N2CCn3c[nH+]cc3C2)c1C#N ZINC000290721997 280234494 /nfs/dbraw/zinc/23/44/94/280234494.db2.gz PMXQVVCSRPJESP-UHFFFAOYSA-N 1 2 273.727 2.132 20 30 CEEDLO C[C@@]1(F)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000335828725 289186755 /nfs/dbraw/zinc/18/67/55/289186755.db2.gz DOKJRJMYPMCHKR-GOEBONIOSA-N 1 2 287.338 2.097 20 30 CEEDLO C[C@@]1(F)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000335828725 289186757 /nfs/dbraw/zinc/18/67/57/289186757.db2.gz DOKJRJMYPMCHKR-GOEBONIOSA-N 1 2 287.338 2.097 20 30 CEEDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352489500 298109329 /nfs/dbraw/zinc/10/93/29/298109329.db2.gz AVHUIPVMULOHIU-MELADBBJSA-N 1 2 295.402 2.492 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)c2cscc2C#N)c2[nH+]ccn21 ZINC000571876116 314109577 /nfs/dbraw/zinc/10/95/77/314109577.db2.gz ATIQOGKESXHTRB-GZMMTYOYSA-N 1 2 272.333 2.252 20 30 CEEDLO C[C@@H]1C[C@@H](C)[NH+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000579542157 314596433 /nfs/dbraw/zinc/59/64/33/314596433.db2.gz LEZMWIHGTOOORO-CKYFFXLPSA-N 1 2 275.377 2.208 20 30 CEEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCC#N)C1 ZINC000531869130 328053143 /nfs/dbraw/zinc/05/31/43/328053143.db2.gz TXUDWOPOCIOMEJ-GFCCVEGCSA-N 1 2 252.358 2.344 20 30 CEEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000531869130 328053144 /nfs/dbraw/zinc/05/31/44/328053144.db2.gz TXUDWOPOCIOMEJ-GFCCVEGCSA-N 1 2 252.358 2.344 20 30 CEEDLO C[C@H](O)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1F ZINC000571284129 328097615 /nfs/dbraw/zinc/09/76/15/328097615.db2.gz LRWADXFOLLLVQZ-ZOWXZIJZSA-N 1 2 275.327 2.281 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411765928 328099428 /nfs/dbraw/zinc/09/94/28/328099428.db2.gz APUFLGKGWBMUEC-HUUCEWRRSA-N 1 2 262.397 2.123 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411765928 328099430 /nfs/dbraw/zinc/09/94/30/328099430.db2.gz APUFLGKGWBMUEC-HUUCEWRRSA-N 1 2 262.397 2.123 20 30 CEEDLO CC[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000571430429 328121658 /nfs/dbraw/zinc/12/16/58/328121658.db2.gz NGPWJKIERSNARQ-SDDRHHMPSA-N 1 2 252.358 2.389 20 30 CEEDLO CC(C)[C@@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264700294 328161763 /nfs/dbraw/zinc/16/17/63/328161763.db2.gz CHXHPCRDIRSRFL-OAHLLOKOSA-N 1 2 282.347 2.209 20 30 CEEDLO CC(C)[C@@H](O)C1(C/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000271813850 328197586 /nfs/dbraw/zinc/19/75/86/328197586.db2.gz NVTOOWIRNPEVGS-OUAKBRRNSA-N 1 2 279.336 2.019 20 30 CEEDLO CO[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284451294 328245855 /nfs/dbraw/zinc/24/58/55/328245855.db2.gz QATWOZKCEHBDDC-QWHCGFSZSA-N 1 2 298.770 2.495 20 30 CEEDLO COc1ccc(Cl)cc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284449671 328245982 /nfs/dbraw/zinc/24/59/82/328245982.db2.gz PWBMXOSKGHCDDF-GFCCVEGCSA-N 1 2 284.743 2.316 20 30 CEEDLO CC(C)n1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000580228213 321925526 /nfs/dbraw/zinc/92/55/26/321925526.db2.gz UEYQSXKKQHDNCQ-UHFFFAOYSA-N 1 2 294.362 2.273 20 30 CEEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C)o1 ZINC000581227885 322378892 /nfs/dbraw/zinc/37/88/92/322378892.db2.gz UNIDPOUBEZUYHC-CQSZACIVSA-N 1 2 271.320 2.332 20 30 CEEDLO N#CCC1(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000559843266 327264473 /nfs/dbraw/zinc/26/44/73/327264473.db2.gz SXDPHDHZKGHSBV-LLVKDONJSA-N 1 2 273.365 2.239 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(C)c(F)c1 ZINC000566429299 327361312 /nfs/dbraw/zinc/36/13/12/327361312.db2.gz QTLPGENRXIBSKR-CYBMUJFWSA-N 1 2 277.343 2.032 20 30 CEEDLO C=C[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000155670903 327396444 /nfs/dbraw/zinc/39/64/44/327396444.db2.gz COJWRMSFQZMLFZ-LBPRGKRZSA-N 1 2 255.321 2.485 20 30 CEEDLO Cc1cc(C)c(CNC(=O)C2(C#N)CCCC2)c[nH+]1 ZINC000335059187 327400271 /nfs/dbraw/zinc/40/02/71/327400271.db2.gz RGSIELDEPAYIIE-UHFFFAOYSA-N 1 2 257.337 2.399 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000570104350 327569764 /nfs/dbraw/zinc/56/97/64/327569764.db2.gz JJEWYINDMIEEOU-CQSZACIVSA-N 1 2 271.364 2.248 20 30 CEEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cccc(CC#N)c1)C2 ZINC000372552004 328965468 /nfs/dbraw/zinc/96/54/68/328965468.db2.gz YLHCCYDIMVQIFE-OAHLLOKOSA-N 1 2 294.358 2.002 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000378540010 329054466 /nfs/dbraw/zinc/05/44/66/329054466.db2.gz BLSMHWBSILVOAM-ZDUSSCGKSA-N 1 2 259.353 2.277 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000360002820 329069734 /nfs/dbraw/zinc/06/97/34/329069734.db2.gz YOMPWHNYBYUFAV-CQSZACIVSA-N 1 2 299.374 2.296 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000393689980 329088616 /nfs/dbraw/zinc/08/86/16/329088616.db2.gz OCHJRYRVHQFBRD-UHFFFAOYSA-N 1 2 255.115 2.435 20 30 CEEDLO CC(C)(C)CCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176256669 329173319 /nfs/dbraw/zinc/17/33/19/329173319.db2.gz YDBFOLVSHBKHNT-UHFFFAOYSA-N 1 2 265.401 2.164 20 30 CEEDLO CC(C)(C)CCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176256669 329173321 /nfs/dbraw/zinc/17/33/21/329173321.db2.gz YDBFOLVSHBKHNT-UHFFFAOYSA-N 1 2 265.401 2.164 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189663676 329384307 /nfs/dbraw/zinc/38/43/07/329384307.db2.gz OKINRURGAXMXBW-INIZCTEOSA-N 1 2 293.432 2.424 20 30 CEEDLO C=CC[N@H+](Cc1cccc(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000189663676 329384309 /nfs/dbraw/zinc/38/43/09/329384309.db2.gz OKINRURGAXMXBW-INIZCTEOSA-N 1 2 293.432 2.424 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1nccc(OC)n1 ZINC000424169403 330312028 /nfs/dbraw/zinc/31/20/28/330312028.db2.gz IAKRPEXMEJJBCO-UHFFFAOYSA-N 1 2 285.347 2.340 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)nn1 ZINC000424294693 330335723 /nfs/dbraw/zinc/33/57/23/330335723.db2.gz LIIIESGXVLFYPD-MRXNPFEDSA-N 1 2 284.363 2.337 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000515496743 330478637 /nfs/dbraw/zinc/47/86/37/330478637.db2.gz OXDVBVVXRJWBFD-LLVKDONJSA-N 1 2 267.279 2.185 20 30 CEEDLO C=CCCN(C)c1nc(C)[nH+]c(N(C)CCC=C)n1 ZINC000432821289 330608118 /nfs/dbraw/zinc/60/81/18/330608118.db2.gz WPSNAPDDJNMWTG-UHFFFAOYSA-N 1 2 261.373 2.205 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000450893397 331005254 /nfs/dbraw/zinc/00/52/54/331005254.db2.gz HBLBCXAJZHNDKO-AWEZNQCLSA-N 1 2 284.363 2.008 20 30 CEEDLO C=CC(C)(C)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000452777625 331076905 /nfs/dbraw/zinc/07/69/05/331076905.db2.gz VVRDISITDLNKQC-UHFFFAOYSA-N 1 2 274.355 2.292 20 30 CEEDLO C=CC(C)(C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000454704330 331151880 /nfs/dbraw/zinc/15/18/80/331151880.db2.gz AEFTUBGGHQREOO-CYBMUJFWSA-N 1 2 288.395 2.172 20 30 CEEDLO C=CCCOCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454711538 331152085 /nfs/dbraw/zinc/15/20/85/331152085.db2.gz GSYWBPHWRPCKAZ-UHFFFAOYSA-N 1 2 277.368 2.090 20 30 CEEDLO C=CCCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454879978 331155575 /nfs/dbraw/zinc/15/55/75/331155575.db2.gz WJOJYMMBLBCKRB-LLVKDONJSA-N 1 2 250.346 2.229 20 30 CEEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)OCC ZINC000456440958 331192767 /nfs/dbraw/zinc/19/27/67/331192767.db2.gz YSUOARQJMQNIJA-AVGNSLFASA-N 1 2 277.368 2.376 20 30 CEEDLO C=C(C)CCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000459007357 331266155 /nfs/dbraw/zinc/26/61/55/331266155.db2.gz SNCDZJCLLMHQKA-UHFFFAOYSA-N 1 2 298.390 2.334 20 30 CEEDLO CN(C[C@H]1CCC[N@H+](CCC#N)C1)C(=O)OC(C)(C)C ZINC000490991637 332136646 /nfs/dbraw/zinc/13/66/46/332136646.db2.gz UJSSIINHSIZPCI-CYBMUJFWSA-N 1 2 281.400 2.479 20 30 CEEDLO CN(C[C@H]1CCC[N@@H+](CCC#N)C1)C(=O)OC(C)(C)C ZINC000490991637 332136647 /nfs/dbraw/zinc/13/66/47/332136647.db2.gz UJSSIINHSIZPCI-CYBMUJFWSA-N 1 2 281.400 2.479 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000491015137 332139258 /nfs/dbraw/zinc/13/92/58/332139258.db2.gz WIKSSHPMNAVDLK-MRXNPFEDSA-N 1 2 296.374 2.329 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000491294811 332183229 /nfs/dbraw/zinc/18/32/29/332183229.db2.gz DEHFGQQEWBFFGU-INIZCTEOSA-N 1 2 266.344 2.377 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000491294811 332183230 /nfs/dbraw/zinc/18/32/30/332183230.db2.gz DEHFGQQEWBFFGU-INIZCTEOSA-N 1 2 266.344 2.377 20 30 CEEDLO C#CC[N@@H+](Cc1nc(C(=O)OCC)no1)C1CCCCC1 ZINC000491535601 332231340 /nfs/dbraw/zinc/23/13/40/332231340.db2.gz DCRZCIKLZHPDSK-UHFFFAOYSA-N 1 2 291.351 2.014 20 30 CEEDLO C#CC[N@H+](Cc1nc(C(=O)OCC)no1)C1CCCCC1 ZINC000491535601 332231341 /nfs/dbraw/zinc/23/13/41/332231341.db2.gz DCRZCIKLZHPDSK-UHFFFAOYSA-N 1 2 291.351 2.014 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000491555716 332237652 /nfs/dbraw/zinc/23/76/52/332237652.db2.gz STUPAMNZZAVDBM-ZDUSSCGKSA-N 1 2 279.405 2.322 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000491555716 332237653 /nfs/dbraw/zinc/23/76/53/332237653.db2.gz STUPAMNZZAVDBM-ZDUSSCGKSA-N 1 2 279.405 2.322 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491657000 332268530 /nfs/dbraw/zinc/26/85/30/332268530.db2.gz FNQJTVWOOSCFQV-ZDUSSCGKSA-N 1 2 274.368 2.101 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)nc2ccccc12 ZINC000491712736 332303946 /nfs/dbraw/zinc/30/39/46/332303946.db2.gz IOIMPZMHDABSDG-OAHLLOKOSA-N 1 2 266.344 2.377 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000491712736 332303947 /nfs/dbraw/zinc/30/39/47/332303947.db2.gz IOIMPZMHDABSDG-OAHLLOKOSA-N 1 2 266.344 2.377 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000491726014 332309772 /nfs/dbraw/zinc/30/97/72/332309772.db2.gz ITPZAAGZBYYXEM-JTQLQIEISA-N 1 2 262.740 2.207 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000491726014 332309773 /nfs/dbraw/zinc/30/97/73/332309773.db2.gz ITPZAAGZBYYXEM-JTQLQIEISA-N 1 2 262.740 2.207 20 30 CEEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C(C)(C)C ZINC000491727883 332310745 /nfs/dbraw/zinc/31/07/45/332310745.db2.gz LYMTWQOKOTXFDI-QWHCGFSZSA-N 1 2 288.395 2.218 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cnc2cnccn12)c1ccc(F)cc1 ZINC000491740052 332319337 /nfs/dbraw/zinc/31/93/37/332319337.db2.gz OEPSMDPVZKDMDH-OAHLLOKOSA-N 1 2 280.306 2.333 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1)C(C)(C)C ZINC000491766459 332334504 /nfs/dbraw/zinc/33/45/04/332334504.db2.gz DHNOBVCMRDIJOP-ZNMIVQPWSA-N 1 2 294.439 2.040 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1)C(C)(C)C ZINC000491766459 332334506 /nfs/dbraw/zinc/33/45/06/332334506.db2.gz DHNOBVCMRDIJOP-ZNMIVQPWSA-N 1 2 294.439 2.040 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000491783916 332347319 /nfs/dbraw/zinc/34/73/19/332347319.db2.gz OKQGLRLUBBNVCD-SECBINFHSA-N 1 2 291.351 2.327 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000491783916 332347320 /nfs/dbraw/zinc/34/73/20/332347320.db2.gz OKQGLRLUBBNVCD-SECBINFHSA-N 1 2 291.351 2.327 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493061012 332424816 /nfs/dbraw/zinc/42/48/16/332424816.db2.gz NUPRKAIGLCHMKE-KOSBQPCFSA-N 1 2 289.379 2.014 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000493104447 332426469 /nfs/dbraw/zinc/42/64/69/332426469.db2.gz JVGANBWWENMITJ-AJHXJQRKSA-N 1 2 291.782 2.313 20 30 CEEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000493220482 332430986 /nfs/dbraw/zinc/43/09/86/332430986.db2.gz NQHBAWLFXFDDDJ-CFHLNLSMSA-N 1 2 286.722 2.457 20 30 CEEDLO C[C@H](CC(=O)NCC(C)(C)CCC#N)n1cc[nH+]c1 ZINC000568752864 334839126 /nfs/dbraw/zinc/83/91/26/334839126.db2.gz HOTJVTNYZLSPFX-GFCCVEGCSA-N 1 2 262.357 2.280 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000517378234 333098277 /nfs/dbraw/zinc/09/82/77/333098277.db2.gz ZFPROWMXFZCHDM-SWLSCSKDSA-N 1 2 265.401 2.163 20 30 CEEDLO C=CCOc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523689127 333338573 /nfs/dbraw/zinc/33/85/73/333338573.db2.gz BBOSWPLXDQRUEG-UHFFFAOYSA-N 1 2 283.331 2.145 20 30 CEEDLO COC[C@H](C)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000576071574 335149319 /nfs/dbraw/zinc/14/93/19/335149319.db2.gz KZVFIPMGTAHUKM-KFWWJZLASA-N 1 2 266.385 2.196 20 30 CEEDLO COC[C@H](C)C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000576071574 335149321 /nfs/dbraw/zinc/14/93/21/335149321.db2.gz KZVFIPMGTAHUKM-KFWWJZLASA-N 1 2 266.385 2.196 20 30 CEEDLO C#CCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1C)C1CCCC1 ZINC000128157833 333643694 /nfs/dbraw/zinc/64/36/94/333643694.db2.gz XKLWNHFQDXJGLA-UHFFFAOYSA-N 1 2 299.374 2.041 20 30 CEEDLO CC(=O)Nc1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000541022845 333759669 /nfs/dbraw/zinc/75/96/69/333759669.db2.gz HJXLJBWEUJSGTR-UHFFFAOYSA-N 1 2 278.381 2.227 20 30 CEEDLO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541022702 333759691 /nfs/dbraw/zinc/75/96/91/333759691.db2.gz DBKRBMMPLOVGRJ-UHFFFAOYSA-N 1 2 299.374 2.453 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000576169897 335164204 /nfs/dbraw/zinc/16/42/04/335164204.db2.gz VQNZPSDUXIONHB-PWSUYJOCSA-N 1 2 288.351 2.377 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000134930026 334108901 /nfs/dbraw/zinc/10/89/01/334108901.db2.gz UTWHMPJGYRQYND-MRXNPFEDSA-N 1 2 275.396 2.480 20 30 CEEDLO C=C(C)CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000156206063 334736630 /nfs/dbraw/zinc/73/66/30/334736630.db2.gz OCLHBBDGSKJPHW-UHFFFAOYSA-N 1 2 278.743 2.363 20 30 CEEDLO C=C(C)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000156752765 334749329 /nfs/dbraw/zinc/74/93/29/334749329.db2.gz YHGXYDXUICTZKC-UHFFFAOYSA-N 1 2 284.363 2.307 20 30 CEEDLO CCC[C@@H]1CCC[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995848 334782765 /nfs/dbraw/zinc/78/27/65/334782765.db2.gz WWXWGDWFBVFYIV-VNHYZAJKSA-N 1 2 265.401 2.163 20 30 CEEDLO N#CCC[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000568501098 334827221 /nfs/dbraw/zinc/82/72/21/334827221.db2.gz PHSWVHPVQOBEBC-UHFFFAOYSA-N 1 2 259.231 2.026 20 30 CEEDLO CC[C@@H](OC1CCCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576644024 335230022 /nfs/dbraw/zinc/23/00/22/335230022.db2.gz AGHXSOFRYTYKLV-GDBMZVCRSA-N 1 2 295.427 2.074 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000577136015 335306869 /nfs/dbraw/zinc/30/68/69/335306869.db2.gz IBWAQNFDEILIQO-ZDUSSCGKSA-N 1 2 268.364 2.494 20 30 CEEDLO Cc1ccc2nc(C[NH+]3CCC(C#N)CC3)cn2c1 ZINC000176899718 335339226 /nfs/dbraw/zinc/33/92/26/335339226.db2.gz QQIRIOASPVKTDN-UHFFFAOYSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1ccc2[nH+]c(CN3CCC(C#N)CC3)cn2c1 ZINC000176899718 335339227 /nfs/dbraw/zinc/33/92/27/335339227.db2.gz QQIRIOASPVKTDN-UHFFFAOYSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cn1 ZINC000329095089 533727504 /nfs/dbraw/zinc/72/75/04/533727504.db2.gz KRDMVEHBDCUAJP-UHFFFAOYSA-N 1 2 289.379 2.101 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1nnnn1-c1ccccc1 ZINC000331483102 534000759 /nfs/dbraw/zinc/00/07/59/534000759.db2.gz FITPQWJEQPWFBF-OBJOEFQTSA-N 1 2 282.351 2.005 20 30 CEEDLO C=C(Br)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000054347066 518581635 /nfs/dbraw/zinc/58/16/35/518581635.db2.gz BPPGJHOLLTZZCI-UHFFFAOYSA-N 1 2 286.173 2.466 20 30 CEEDLO C=CCCO[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000049340836 518708715 /nfs/dbraw/zinc/70/87/15/518708715.db2.gz ZXLNNUSYTAAHBN-SNVBAGLBSA-N 1 2 295.408 2.051 20 30 CEEDLO C=CCCO[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000049340836 518708723 /nfs/dbraw/zinc/70/87/23/518708723.db2.gz ZXLNNUSYTAAHBN-SNVBAGLBSA-N 1 2 295.408 2.051 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330106872 534718316 /nfs/dbraw/zinc/71/83/16/534718316.db2.gz LJXZAZFBPRGRDI-GXTWGEPZSA-N 1 2 286.335 2.347 20 30 CEEDLO O=C(CC[C@@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330329817 534765775 /nfs/dbraw/zinc/76/57/75/534765775.db2.gz WRRSQBOIZJFAHA-NEPJUHHUSA-N 1 2 263.341 2.114 20 30 CEEDLO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)N(C)CCC#N ZINC000052446497 526004458 /nfs/dbraw/zinc/00/44/58/526004458.db2.gz SASJDSPNLMDFNB-LLVKDONJSA-N 1 2 288.376 2.187 20 30 CEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000156685010 526687596 /nfs/dbraw/zinc/68/75/96/526687596.db2.gz PUZFPCPBTPUYJV-RDJZCZTQSA-N 1 2 298.342 2.258 20 30 CEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000156685010 526687597 /nfs/dbraw/zinc/68/75/97/526687597.db2.gz PUZFPCPBTPUYJV-RDJZCZTQSA-N 1 2 298.342 2.258 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000334680174 526941610 /nfs/dbraw/zinc/94/16/10/526941610.db2.gz GSIBCDQPHPFDQZ-UHFFFAOYSA-N 1 2 273.380 2.251 20 30 CEEDLO CC(C)C1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330313293 527646450 /nfs/dbraw/zinc/64/64/50/527646450.db2.gz XCFYWUPDRLCVNC-AWEZNQCLSA-N 1 2 290.411 2.480 20 30 CEEDLO CC(C)[C@H]1CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329220121 527800341 /nfs/dbraw/zinc/80/03/41/527800341.db2.gz SXDRKKULHUYKMP-CYBMUJFWSA-N 1 2 276.384 2.364 20 30 CEEDLO CCC1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330184931 527863563 /nfs/dbraw/zinc/86/35/63/527863563.db2.gz IUWDBRONCKALBG-ZDUSSCGKSA-N 1 2 276.384 2.234 20 30 CEEDLO CC1=C(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330245401 528084034 /nfs/dbraw/zinc/08/40/34/528084034.db2.gz DRWSVWBHOAPMRE-CYBMUJFWSA-N 1 2 274.368 2.154 20 30 CEEDLO CC1=C(C)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330245401 528084038 /nfs/dbraw/zinc/08/40/38/528084038.db2.gz DRWSVWBHOAPMRE-CYBMUJFWSA-N 1 2 274.368 2.154 20 30 CEEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000352864012 528939756 /nfs/dbraw/zinc/93/97/56/528939756.db2.gz YBHDOTABJXFPRB-UHFFFAOYSA-N 1 2 293.392 2.322 20 30 CEEDLO C#Cc1cccc(NC(=S)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000726466120 574426719 /nfs/dbraw/zinc/42/67/19/574426719.db2.gz SSFHHJPRIGARLE-LBPRGKRZSA-N 1 2 284.388 2.240 20 30 CEEDLO CC(C)N(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000726533104 574427305 /nfs/dbraw/zinc/42/73/05/574427305.db2.gz WSSQSZMHSNTTAZ-UHFFFAOYSA-N 1 2 283.335 2.032 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000730094847 574501194 /nfs/dbraw/zinc/50/11/94/574501194.db2.gz STEHUBUBIAZDDX-ZDUSSCGKSA-N 1 2 262.740 2.376 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000730094847 574501196 /nfs/dbraw/zinc/50/11/96/574501196.db2.gz STEHUBUBIAZDDX-ZDUSSCGKSA-N 1 2 262.740 2.376 20 30 CEEDLO C[C@H]1C[N@@H+](CC/N=C/c2cc(Cl)ccc2O)CCO1 ZINC000750949956 575280405 /nfs/dbraw/zinc/28/04/05/575280405.db2.gz KWGHJZXBNHJNSA-UJFYRASASA-N 1 2 282.771 2.185 20 30 CEEDLO N#C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCN1C1CC1 ZINC000732666266 574625562 /nfs/dbraw/zinc/62/55/62/574625562.db2.gz NHSGMUPOUGCFKB-KRWDZBQOSA-N 1 2 297.402 2.053 20 30 CEEDLO N#C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCN1C1CC1 ZINC000732666266 574625563 /nfs/dbraw/zinc/62/55/63/574625563.db2.gz NHSGMUPOUGCFKB-KRWDZBQOSA-N 1 2 297.402 2.053 20 30 CEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(N2CCC(O)CC2)cc1 ZINC000734235898 574706255 /nfs/dbraw/zinc/70/62/55/574706255.db2.gz YCKGIEBMCLIIKR-AATRIKPKSA-N 1 2 297.358 2.267 20 30 CEEDLO C=C(Cl)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000736247021 574780146 /nfs/dbraw/zinc/78/01/46/574780146.db2.gz UXFSDZFXWYFWDS-UHFFFAOYSA-N 1 2 275.739 2.414 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(C)c2c1 ZINC000743318601 575048220 /nfs/dbraw/zinc/04/82/20/575048220.db2.gz JUYYNPCFFSWTPK-HNNXBMFYSA-N 1 2 281.359 2.214 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(C)c2c1 ZINC000743318601 575048222 /nfs/dbraw/zinc/04/82/22/575048222.db2.gz JUYYNPCFFSWTPK-HNNXBMFYSA-N 1 2 281.359 2.214 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000743852658 575110925 /nfs/dbraw/zinc/11/09/25/575110925.db2.gz YJJNTSPIPBCLEG-MRXNPFEDSA-N 1 2 282.387 2.165 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000743852658 575110926 /nfs/dbraw/zinc/11/09/26/575110926.db2.gz YJJNTSPIPBCLEG-MRXNPFEDSA-N 1 2 282.387 2.165 20 30 CEEDLO COc1nc(N(C)C)sc1C=[NH+]OCc1cccnc1 ZINC000746585543 575160098 /nfs/dbraw/zinc/16/00/98/575160098.db2.gz HELYLRQWOSJMBA-UHFFFAOYSA-N 1 2 292.364 2.163 20 30 CEEDLO Oc1ccc(/C=[NH+]/C[C@@H]2COc3ccccc3C2)c(O)c1O ZINC000747713195 575174046 /nfs/dbraw/zinc/17/40/46/575174046.db2.gz QCCXOKUZMQYSHX-PBFYJAPKSA-N 1 2 299.326 2.474 20 30 CEEDLO N#CCCNC(=O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000748825226 575198523 /nfs/dbraw/zinc/19/85/23/575198523.db2.gz URKZEOUQIBEJQE-ZDUSSCGKSA-N 1 2 277.755 2.117 20 30 CEEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000748825226 575198525 /nfs/dbraw/zinc/19/85/25/575198525.db2.gz URKZEOUQIBEJQE-ZDUSSCGKSA-N 1 2 277.755 2.117 20 30 CEEDLO C[C@H]1C[N@H+](CC/N=C/c2cc(Cl)ccc2O)CCO1 ZINC000750949956 575280404 /nfs/dbraw/zinc/28/04/04/575280404.db2.gz KWGHJZXBNHJNSA-UJFYRASASA-N 1 2 282.771 2.185 20 30 CEEDLO N#Cc1ccc2[nH+]cc(C=CC(=O)c3cc[nH]c(=O)c3)n2c1 ZINC000752876985 575315941 /nfs/dbraw/zinc/31/59/41/575315941.db2.gz LMXQCLYUSATSFA-IHWYPQMZSA-N 1 2 290.282 2.203 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC)C1 ZINC000964526717 613235462 /nfs/dbraw/zinc/23/54/62/613235462.db2.gz HBUUAMGFSXALLE-GXSJLCMTSA-N 1 2 289.217 2.132 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CC)C1 ZINC000964526717 613235463 /nfs/dbraw/zinc/23/54/63/613235463.db2.gz HBUUAMGFSXALLE-GXSJLCMTSA-N 1 2 289.217 2.132 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875461927 649910744 /nfs/dbraw/zinc/91/07/44/649910744.db2.gz HUURCRYONFQJFS-GJZGRUSLSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875461927 649910745 /nfs/dbraw/zinc/91/07/45/649910745.db2.gz HUURCRYONFQJFS-GJZGRUSLSA-N 1 2 297.443 2.141 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824086910 608679905 /nfs/dbraw/zinc/67/99/05/608679905.db2.gz QBZLOTPZQJFFLG-UHFFFAOYSA-N 1 2 288.355 2.221 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824086910 608679907 /nfs/dbraw/zinc/67/99/07/608679907.db2.gz QBZLOTPZQJFFLG-UHFFFAOYSA-N 1 2 288.355 2.221 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000952370550 612992247 /nfs/dbraw/zinc/99/22/47/612992247.db2.gz DIEMRFNHVMPPPQ-UHFFFAOYSA-N 1 2 295.386 2.338 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC000952311119 613294991 /nfs/dbraw/zinc/29/49/91/613294991.db2.gz GOYNXZKQOAIRDQ-DLBZAZTESA-N 1 2 299.418 2.294 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC000957301943 613296500 /nfs/dbraw/zinc/29/65/00/613296500.db2.gz CKWJLJMAOHITQP-UHFFFAOYSA-N 1 2 293.798 2.457 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc3cn[nH]c32)C1 ZINC000951111833 613297002 /nfs/dbraw/zinc/29/70/02/613297002.db2.gz SIKPMMQJJYTICC-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC000951111833 613297004 /nfs/dbraw/zinc/29/70/04/613297004.db2.gz SIKPMMQJJYTICC-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000950824282 613317650 /nfs/dbraw/zinc/31/76/50/613317650.db2.gz JWASFAGBWLFADM-HNNXBMFYSA-N 1 2 276.355 2.418 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000951112491 613317727 /nfs/dbraw/zinc/31/77/27/613317727.db2.gz AOLZMAJHPRNRNV-MRXNPFEDSA-N 1 2 294.439 2.445 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000957279135 613320092 /nfs/dbraw/zinc/32/00/92/613320092.db2.gz GHQGQKFKQGFVEX-UHFFFAOYSA-N 1 2 290.411 2.041 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2occc2CC)CC1 ZINC000950061905 613322216 /nfs/dbraw/zinc/32/22/16/613322216.db2.gz BXUNJKWOIQKLCZ-UHFFFAOYSA-N 1 2 262.353 2.176 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2csc(C)n2)C1 ZINC000970320212 613372532 /nfs/dbraw/zinc/37/25/32/613372532.db2.gz FXHKFJPPICLDIM-VIFPVBQESA-N 1 2 299.827 2.254 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC000965396344 613377875 /nfs/dbraw/zinc/37/78/75/613377875.db2.gz SLEQPPQNINFYNE-SMDDNHRTSA-N 1 2 298.814 2.260 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC000965396344 613377876 /nfs/dbraw/zinc/37/78/76/613377876.db2.gz SLEQPPQNINFYNE-SMDDNHRTSA-N 1 2 298.814 2.260 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC2(F)F)C(C)(C)C1 ZINC000974562965 613380836 /nfs/dbraw/zinc/38/08/36/613380836.db2.gz ZJFFGRXUBCXNGR-ZJUUUORDSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CC2(F)F)C(C)(C)C1 ZINC000974562965 613380837 /nfs/dbraw/zinc/38/08/37/613380837.db2.gz ZJFFGRXUBCXNGR-ZJUUUORDSA-N 1 2 292.757 2.221 20 30 CEEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000970690039 613671986 /nfs/dbraw/zinc/67/19/86/613671986.db2.gz FRQKLNKHBJMQQK-NSHDSACASA-N 1 2 298.390 2.107 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000957359257 613708822 /nfs/dbraw/zinc/70/88/22/613708822.db2.gz XRTOBMRSOSHNDC-ZDUSSCGKSA-N 1 2 262.353 2.103 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000957623403 613709524 /nfs/dbraw/zinc/70/95/24/613709524.db2.gz FSZYDKKQJFVKHW-UHFFFAOYSA-N 1 2 284.403 2.048 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC000949892524 613711119 /nfs/dbraw/zinc/71/11/19/613711119.db2.gz ULCCDINCAVGOFC-NEPJUHHUSA-N 1 2 290.329 2.295 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000949525858 613714938 /nfs/dbraw/zinc/71/49/38/613714938.db2.gz NKIDQOWUCMNJGF-UHFFFAOYSA-N 1 2 283.375 2.420 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)c3cccnc23)CC1 ZINC000949350704 613715602 /nfs/dbraw/zinc/71/56/02/613715602.db2.gz OURLVKYYVFTVPW-UHFFFAOYSA-N 1 2 295.386 2.487 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]\CCCNC(=O)C(C)C)c1 ZINC000255010938 622765190 /nfs/dbraw/zinc/76/51/90/622765190.db2.gz RUZRWZOWHCEBHB-BOPFTXTBSA-N 1 2 292.379 2.372 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001024561312 625646077 /nfs/dbraw/zinc/64/60/77/625646077.db2.gz NHQCLGZAUCKCED-GFCCVEGCSA-N 1 2 299.777 2.491 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001024561312 625646080 /nfs/dbraw/zinc/64/60/80/625646080.db2.gz NHQCLGZAUCKCED-GFCCVEGCSA-N 1 2 299.777 2.491 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000306330812 623490229 /nfs/dbraw/zinc/49/02/29/623490229.db2.gz OSMOLYKVVAVZKO-MRVPVSSYSA-N 1 2 254.127 2.266 20 30 CEEDLO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000933162953 623521553 /nfs/dbraw/zinc/52/15/53/623521553.db2.gz ODXREOMQHQNWCT-WBVHZDCISA-N 1 2 284.359 2.280 20 30 CEEDLO COC(=O)[C@]12C[C@H]1CCC[N@H+]2Cc1ccc(CC#N)cc1 ZINC000933162953 623521555 /nfs/dbraw/zinc/52/15/55/623521555.db2.gz ODXREOMQHQNWCT-WBVHZDCISA-N 1 2 284.359 2.280 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C(=O)OC)C[C@H]1[C@H]1CCCO1 ZINC000933181071 623527925 /nfs/dbraw/zinc/52/79/25/623527925.db2.gz WQPAHTMIXAWJCW-RWMBFGLXSA-N 1 2 287.787 2.172 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1[C@H]1CCCO1 ZINC000933181071 623527926 /nfs/dbraw/zinc/52/79/26/623527926.db2.gz WQPAHTMIXAWJCW-RWMBFGLXSA-N 1 2 287.787 2.172 20 30 CEEDLO CCn1c[nH+]c2c1CCN(CCOc1ccccc1C#N)C2 ZINC000933261639 623566708 /nfs/dbraw/zinc/56/67/08/623566708.db2.gz HNHQOEZEYOUSCF-UHFFFAOYSA-N 1 2 296.374 2.212 20 30 CEEDLO Cc1ccc(C#N)cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933300071 623625279 /nfs/dbraw/zinc/62/52/79/623625279.db2.gz ZKTQSOKJVKALIT-LBPRGKRZSA-N 1 2 282.347 2.129 20 30 CEEDLO Cc1cc(F)c(C#N)c(N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000891837131 624011265 /nfs/dbraw/zinc/01/12/65/624011265.db2.gz ALZZAASYAFFLBI-LBPRGKRZSA-N 1 2 277.343 2.138 20 30 CEEDLO CCOc1cccc(C[N@@H+](CCC#N)CCOC)c1O ZINC000093100034 624119627 /nfs/dbraw/zinc/11/96/27/624119627.db2.gz MKPZLBXMPJCTFN-UHFFFAOYSA-N 1 2 278.352 2.153 20 30 CEEDLO CCOc1cccc(C[N@H+](CCC#N)CCOC)c1O ZINC000093100034 624119630 /nfs/dbraw/zinc/11/96/30/624119630.db2.gz MKPZLBXMPJCTFN-UHFFFAOYSA-N 1 2 278.352 2.153 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000934462669 624509601 /nfs/dbraw/zinc/50/96/01/624509601.db2.gz ZWZAQDHXIXWVDB-OLZOCXBDSA-N 1 2 287.388 2.375 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000934462669 624509607 /nfs/dbraw/zinc/50/96/07/624509607.db2.gz ZWZAQDHXIXWVDB-OLZOCXBDSA-N 1 2 287.388 2.375 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2cc(C)sc2n1 ZINC000934520345 624558110 /nfs/dbraw/zinc/55/81/10/624558110.db2.gz ZXTNBTNVAVAXDW-CYBMUJFWSA-N 1 2 287.388 2.052 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(C)sc2n1 ZINC000934520345 624558113 /nfs/dbraw/zinc/55/81/13/624558113.db2.gz ZXTNBTNVAVAXDW-CYBMUJFWSA-N 1 2 287.388 2.052 20 30 CEEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001024728177 625782395 /nfs/dbraw/zinc/78/23/95/625782395.db2.gz TWZIJWSVLGEIBQ-CYBMUJFWSA-N 1 2 298.390 2.333 20 30 CEEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001024728177 625782404 /nfs/dbraw/zinc/78/24/04/625782404.db2.gz TWZIJWSVLGEIBQ-CYBMUJFWSA-N 1 2 298.390 2.333 20 30 CEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001024804042 625827527 /nfs/dbraw/zinc/82/75/27/625827527.db2.gz OMPSXYZDCSGLFK-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001024804042 625827528 /nfs/dbraw/zinc/82/75/28/625827528.db2.gz OMPSXYZDCSGLFK-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178114270 625943580 /nfs/dbraw/zinc/94/35/80/625943580.db2.gz GPLFXFXUDZJJPG-ZDUSSCGKSA-N 1 2 291.395 2.409 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)[C@H](CO)SC ZINC000820663712 634494207 /nfs/dbraw/zinc/49/42/07/634494207.db2.gz CSWQAKGTNWVRCN-JSGCOSHPSA-N 1 2 294.420 2.398 20 30 CEEDLO C=CC[N@H+](CN1CCN(C2CCCC2)C1=O)[C@@H](C)COC ZINC000902311264 634578157 /nfs/dbraw/zinc/57/81/57/634578157.db2.gz DHQCYYPGPCZXEY-AWEZNQCLSA-N 1 2 295.427 2.147 20 30 CEEDLO C=CC[N@@H+](CN1CCN(C2CCCC2)C1=O)[C@@H](C)COC ZINC000902311264 634578159 /nfs/dbraw/zinc/57/81/59/634578159.db2.gz DHQCYYPGPCZXEY-AWEZNQCLSA-N 1 2 295.427 2.147 20 30 CEEDLO Nc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000821023141 634606738 /nfs/dbraw/zinc/60/67/38/634606738.db2.gz XXYOHLSHHMHXFI-LREOWRDNSA-N 1 2 269.260 2.468 20 30 CEEDLO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925696176 628528919 /nfs/dbraw/zinc/52/89/19/628528919.db2.gz JHPZJCAWYGRXLY-WFASDCNBSA-N 1 2 274.364 2.489 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1O[C@H](C)C(=O)OC ZINC000893606177 628785475 /nfs/dbraw/zinc/78/54/75/628785475.db2.gz NXKMLRPRMJNBHM-TZMCWYRMSA-N 1 2 290.363 2.409 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000932163760 628981145 /nfs/dbraw/zinc/98/11/45/628981145.db2.gz WVUWIKJYEKVAST-JSGCOSHPSA-N 1 2 294.782 2.315 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000932163760 628981149 /nfs/dbraw/zinc/98/11/49/628981149.db2.gz WVUWIKJYEKVAST-JSGCOSHPSA-N 1 2 294.782 2.315 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990565 629073701 /nfs/dbraw/zinc/07/37/01/629073701.db2.gz HVVDPENVRANKMQ-UKRRQHHQSA-N 1 2 282.347 2.290 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)[C@H]1CCOC1)C(=O)OCC ZINC000877670883 629209087 /nfs/dbraw/zinc/20/90/87/629209087.db2.gz BXQHNZQQNBJENL-WOPDTQHZSA-N 1 2 275.776 2.075 20 30 CEEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000178870012 629227257 /nfs/dbraw/zinc/22/72/57/629227257.db2.gz WZDXNMYJALYSTL-CYBMUJFWSA-N 1 2 290.363 2.362 20 30 CEEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000178870012 629227258 /nfs/dbraw/zinc/22/72/58/629227258.db2.gz WZDXNMYJALYSTL-CYBMUJFWSA-N 1 2 290.363 2.362 20 30 CEEDLO CC[C@H]([NH2+]CC1(C)COC1)c1cccc(C#N)c1O ZINC000925050022 629410957 /nfs/dbraw/zinc/41/09/57/629410957.db2.gz VLJZJXOZEKPQJZ-ZDUSSCGKSA-N 1 2 260.337 2.341 20 30 CEEDLO CC[C@@H]([NH2+]C[C@](C)(O)CCOC)c1cccc(C#N)c1O ZINC000925084772 629669415 /nfs/dbraw/zinc/66/94/15/629669415.db2.gz JNHBAEAEPDDFFU-GDBMZVCRSA-N 1 2 292.379 2.092 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000797257522 630197224 /nfs/dbraw/zinc/19/72/24/630197224.db2.gz YJASRJDXMUUVHS-AWEZNQCLSA-N 1 2 261.325 2.131 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CC(OCC)C1)C(=O)OCC ZINC000895597032 630270948 /nfs/dbraw/zinc/27/09/48/630270948.db2.gz CLJCDZXZBDSJBD-BPCQOVAHSA-N 1 2 255.358 2.041 20 30 CEEDLO C#CC[N@H+](Cc1cccc2c1OCCCO2)C1CSC1 ZINC000895814158 630359838 /nfs/dbraw/zinc/35/98/38/630359838.db2.gz NPGYLPSJLMYSIQ-UHFFFAOYSA-N 1 2 289.400 2.399 20 30 CEEDLO C#CC[N@@H+](Cc1cccc2c1OCCCO2)C1CSC1 ZINC000895814158 630359841 /nfs/dbraw/zinc/35/98/41/630359841.db2.gz NPGYLPSJLMYSIQ-UHFFFAOYSA-N 1 2 289.400 2.399 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000896238417 630509082 /nfs/dbraw/zinc/50/90/82/630509082.db2.gz VZJKLRKARKLZTG-DOTOQJQBSA-N 1 2 297.402 2.370 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000896238417 630509083 /nfs/dbraw/zinc/50/90/83/630509083.db2.gz VZJKLRKARKLZTG-DOTOQJQBSA-N 1 2 297.402 2.370 20 30 CEEDLO COCCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896503342 630583729 /nfs/dbraw/zinc/58/37/29/630583729.db2.gz NAIQRUQMNRHOSU-OAHLLOKOSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896503342 630583732 /nfs/dbraw/zinc/58/37/32/630583732.db2.gz NAIQRUQMNRHOSU-OAHLLOKOSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896506269 630585472 /nfs/dbraw/zinc/58/54/72/630585472.db2.gz UBFFZHPELBDDGA-OAHLLOKOSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896506269 630585475 /nfs/dbraw/zinc/58/54/75/630585475.db2.gz UBFFZHPELBDDGA-OAHLLOKOSA-N 1 2 274.364 2.447 20 30 CEEDLO C#CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CC1 ZINC000821961708 634830310 /nfs/dbraw/zinc/83/03/10/634830310.db2.gz TUBYOAJMCVBABM-LLVKDONJSA-N 1 2 285.269 2.001 20 30 CEEDLO C=C(C)[C@H](CC(=O)NCc1[nH]c(C)c(C)[nH+]1)OCC ZINC000896916783 630803084 /nfs/dbraw/zinc/80/30/84/630803084.db2.gz RYPLYGRSOLVNQC-LBPRGKRZSA-N 1 2 265.357 2.014 20 30 CEEDLO Cc1cc(C#N)nc(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000798216068 630839975 /nfs/dbraw/zinc/83/99/75/630839975.db2.gz CRZHIVYTMINYKZ-UHFFFAOYSA-N 1 2 290.330 2.455 20 30 CEEDLO C#C[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000798542285 630888333 /nfs/dbraw/zinc/88/83/33/630888333.db2.gz NLKIMSZOEZGXPN-OAHLLOKOSA-N 1 2 298.390 2.142 20 30 CEEDLO CC#CC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000897168597 630971500 /nfs/dbraw/zinc/97/15/00/630971500.db2.gz CRAXZVCJZHJOOS-UHFFFAOYSA-N 1 2 290.367 2.279 20 30 CEEDLO CC#CC[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000897168597 630971505 /nfs/dbraw/zinc/97/15/05/630971505.db2.gz CRAXZVCJZHJOOS-UHFFFAOYSA-N 1 2 290.367 2.279 20 30 CEEDLO O=C1C=C([NH2+]Nc2cccc(F)c2)[C@@H]2CCCCN12 ZINC000799478225 631030667 /nfs/dbraw/zinc/03/06/67/631030667.db2.gz XHNIAUHYWOVVRV-ZDUSSCGKSA-N 1 2 261.300 2.378 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000800332965 631112967 /nfs/dbraw/zinc/11/29/67/631112967.db2.gz JZYOYHZKUAXNRE-MRXNPFEDSA-N 1 2 288.391 2.235 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000800332965 631112968 /nfs/dbraw/zinc/11/29/68/631112968.db2.gz JZYOYHZKUAXNRE-MRXNPFEDSA-N 1 2 288.391 2.235 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2ccc(Cl)nn2)cn1C ZINC000800805062 631145665 /nfs/dbraw/zinc/14/56/65/631145665.db2.gz NZWLKPMNROKMKH-UHFFFAOYSA-N 1 2 264.720 2.008 20 30 CEEDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(C#N)s1 ZINC000802785438 631460220 /nfs/dbraw/zinc/46/02/20/631460220.db2.gz TWMXIAUFDINILZ-UHFFFAOYSA-N 1 2 275.333 2.143 20 30 CEEDLO C=CCN1CCN(C[N@@H+]2CCc3cc(C)ccc3C2)C1=O ZINC000840054447 631715799 /nfs/dbraw/zinc/71/57/99/631715799.db2.gz KVPVGMKTSJPEKM-UHFFFAOYSA-N 1 2 285.391 2.234 20 30 CEEDLO C=CCN1CCN(C[N@H+]2CCc3cc(C)ccc3C2)C1=O ZINC000840054447 631715800 /nfs/dbraw/zinc/71/58/00/631715800.db2.gz KVPVGMKTSJPEKM-UHFFFAOYSA-N 1 2 285.391 2.234 20 30 CEEDLO CC(C)n1cc(C=NNc2cc[nH+]c3ccccc23)nn1 ZINC000807969462 631893649 /nfs/dbraw/zinc/89/36/49/631893649.db2.gz DWOFGDZNWNLQJY-UHFFFAOYSA-N 1 2 280.335 2.275 20 30 CEEDLO N#CC1(c2ccc(C[NH+]3CC(N4CCCC4=O)C3)cc2)CC1 ZINC000897785006 631915590 /nfs/dbraw/zinc/91/55/90/631915590.db2.gz PPZNAKXAPFIQDN-UHFFFAOYSA-N 1 2 295.386 2.048 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC(C)(C)CC1=O ZINC000808139386 631921143 /nfs/dbraw/zinc/92/11/43/631921143.db2.gz FUPWPNMROIGEIW-UHFFFAOYSA-N 1 2 271.364 2.206 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC(C)(C)CC1=O ZINC000808139386 631921150 /nfs/dbraw/zinc/92/11/50/631921150.db2.gz FUPWPNMROIGEIW-UHFFFAOYSA-N 1 2 271.364 2.206 20 30 CEEDLO C=CC[N@@H+](CCCc1cnccc1C)CC(=O)OCC ZINC000809549622 632097234 /nfs/dbraw/zinc/09/72/34/632097234.db2.gz ZAXOTLXDFLBDIQ-UHFFFAOYSA-N 1 2 276.380 2.374 20 30 CEEDLO C=CC[N@H+](CCCc1cnccc1C)CC(=O)OCC ZINC000809549622 632097238 /nfs/dbraw/zinc/09/72/38/632097238.db2.gz ZAXOTLXDFLBDIQ-UHFFFAOYSA-N 1 2 276.380 2.374 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898192187 632107333 /nfs/dbraw/zinc/10/73/33/632107333.db2.gz CZNGHWYLBWDLAS-LSDHHAIUSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898192187 632107336 /nfs/dbraw/zinc/10/73/36/632107336.db2.gz CZNGHWYLBWDLAS-LSDHHAIUSA-N 1 2 265.328 2.156 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000809683057 632127196 /nfs/dbraw/zinc/12/71/96/632127196.db2.gz NKVHCKPUBPLART-VIFPVBQESA-N 1 2 278.718 2.171 20 30 CEEDLO C=CC[N@H+]1CCCN(C(=O)c2scnc2Cl)CC1 ZINC000989679594 632223830 /nfs/dbraw/zinc/22/38/30/632223830.db2.gz YLBWDRSXWIQXJH-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO C=CC[N@@H+]1CCCN(C(=O)c2scnc2Cl)CC1 ZINC000989679594 632223834 /nfs/dbraw/zinc/22/38/34/632223834.db2.gz YLBWDRSXWIQXJH-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001007071287 632392449 /nfs/dbraw/zinc/39/24/49/632392449.db2.gz NSZXFLGSMDZJRX-GDKBPFBDSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001007071287 632392455 /nfs/dbraw/zinc/39/24/55/632392455.db2.gz NSZXFLGSMDZJRX-GDKBPFBDSA-N 1 2 270.804 2.366 20 30 CEEDLO C#CCOc1ccccc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000811509890 632393774 /nfs/dbraw/zinc/39/37/74/632393774.db2.gz KBQLFWMYDHMQQJ-UHFFFAOYSA-N 1 2 293.366 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C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000782594355 647641183 /nfs/dbraw/zinc/64/11/83/647641183.db2.gz XLIDCEXUAFTSBY-CYBMUJFWSA-N 1 2 285.391 2.150 20 30 CEEDLO N#CCOc1ccccc1C(=O)OCCCn1cc[nH+]c1 ZINC000783147988 647683409 /nfs/dbraw/zinc/68/34/09/647683409.db2.gz JKZVGWZWFRZHDN-UHFFFAOYSA-N 1 2 285.303 2.033 20 30 CEEDLO COC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866336497 647741907 /nfs/dbraw/zinc/74/19/07/647741907.db2.gz KKYAINWNAMBBOU-LLVKDONJSA-N 1 2 260.337 2.484 20 30 CEEDLO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866342668 647745328 /nfs/dbraw/zinc/74/53/28/647745328.db2.gz UIFNRPSEYFZDOW-CWBMUHOVSA-N 1 2 260.337 2.242 20 30 CEEDLO C[C@@H]([NH2+]CCOCC(F)F)c1cccc(C#N)c1O ZINC000866346966 647748725 /nfs/dbraw/zinc/74/87/25/647748725.db2.gz IHXUVQDAYYQVJN-SECBINFHSA-N 1 2 270.279 2.196 20 30 CEEDLO C[C@H]([NH2+]CCOC(F)(F)F)c1cccc(C#N)c1O ZINC000866348264 647749670 /nfs/dbraw/zinc/74/96/70/647749670.db2.gz RDXBVOZGQCRQSR-QMMMGPOBSA-N 1 2 274.242 2.451 20 30 CEEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C(C)(C)O ZINC000866364016 647757103 /nfs/dbraw/zinc/75/71/03/647757103.db2.gz PGQGMHPRJFSUBI-ZWNOBZJWSA-N 1 2 262.353 2.464 20 30 CEEDLO C=CCC[N@@H+](C)Cn1c(-c2ccccn2)csc1=O ZINC000786102384 647985363 /nfs/dbraw/zinc/98/53/63/647985363.db2.gz WSWFCLJDOQQCKS-UHFFFAOYSA-N 1 2 275.377 2.437 20 30 CEEDLO C=CCC[N@H+](C)Cn1c(-c2ccccn2)csc1=O ZINC000786102384 647985364 /nfs/dbraw/zinc/98/53/64/647985364.db2.gz WSWFCLJDOQQCKS-UHFFFAOYSA-N 1 2 275.377 2.437 20 30 CEEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)[C@H]1c1cccs1 ZINC000805839876 648111936 /nfs/dbraw/zinc/11/19/36/648111936.db2.gz UVNAZSUVJUWMNJ-ZDUSSCGKSA-N 1 2 277.393 2.161 20 30 CEEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@H]1c1cccs1 ZINC000805839876 648111939 /nfs/dbraw/zinc/11/19/39/648111939.db2.gz UVNAZSUVJUWMNJ-ZDUSSCGKSA-N 1 2 277.393 2.161 20 30 CEEDLO C=CCC1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCCC1 ZINC000868749739 648250740 /nfs/dbraw/zinc/25/07/40/648250740.db2.gz RVLRYHZAEJYCFR-AATRIKPKSA-N 1 2 292.423 2.128 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccncc2)n1 ZINC000789330188 648288719 /nfs/dbraw/zinc/28/87/19/648288719.db2.gz ZHIXTXDTEQXGBE-CQSZACIVSA-N 1 2 268.364 2.494 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2ccncc2)n1 ZINC000789330188 648288721 /nfs/dbraw/zinc/28/87/21/648288721.db2.gz ZHIXTXDTEQXGBE-CQSZACIVSA-N 1 2 268.364 2.494 20 30 CEEDLO CC#CCOC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805906108 648352362 /nfs/dbraw/zinc/35/23/62/648352362.db2.gz CFMZJRNXMAAYGI-UHFFFAOYSA-N 1 2 292.404 2.230 20 30 CEEDLO CC[C@H](C)N[NH+]=Cc1c(C)nn2c1[nH]c1ccccc1c2=O ZINC000790184169 648391009 /nfs/dbraw/zinc/39/10/09/648391009.db2.gz YOYOGIGEFJHVEM-JTQLQIEISA-N 1 2 297.362 2.206 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)[C@H]1CCCO1 ZINC000790992279 648470355 /nfs/dbraw/zinc/47/03/55/648470355.db2.gz WJNCXQIPRIXQNZ-HZPDHXFCSA-N 1 2 281.359 2.143 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870155760 648714059 /nfs/dbraw/zinc/71/40/59/648714059.db2.gz BFFQSKKBHWJHQQ-UHFFFAOYSA-N 1 2 288.391 2.306 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)CCc1ccc(C#N)cc1 ZINC000793250694 648730719 /nfs/dbraw/zinc/73/07/19/648730719.db2.gz JXPMSPFGSQLPCU-UHFFFAOYSA-N 1 2 283.331 2.010 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCO[C@@H]2C)ccc1F ZINC000871728335 649159447 /nfs/dbraw/zinc/15/94/47/649159447.db2.gz LEWMSPQFRJQLBY-PWSUYJOCSA-N 1 2 266.316 2.196 20 30 CEEDLO Cc1cc(C)c(CNC(=O)Nc2cc(CC#N)ccn2)c[nH+]1 ZINC000871734073 649163003 /nfs/dbraw/zinc/16/30/03/649163003.db2.gz YVDIWKSGYKZPSG-UHFFFAOYSA-N 1 2 295.346 2.481 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOc3cc(N)ccc3C2)o1 ZINC000872144807 649294886 /nfs/dbraw/zinc/29/48/86/649294886.db2.gz HZXOALIABMUYCM-UHFFFAOYSA-N 1 2 269.304 2.128 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOc3cc(N)ccc3C2)o1 ZINC000872144807 649294888 /nfs/dbraw/zinc/29/48/88/649294888.db2.gz HZXOALIABMUYCM-UHFFFAOYSA-N 1 2 269.304 2.128 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000878616640 651142597 /nfs/dbraw/zinc/14/25/97/651142597.db2.gz BSFWYESEVLLYLM-OAHLLOKOSA-N 1 2 272.348 2.288 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000878616640 651142604 /nfs/dbraw/zinc/14/26/04/651142604.db2.gz BSFWYESEVLLYLM-OAHLLOKOSA-N 1 2 272.348 2.288 20 30 CEEDLO Cc1ccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)nc1Cl ZINC000878771099 651182172 /nfs/dbraw/zinc/18/21/72/651182172.db2.gz CCZCMWJWOCQNNX-CHWSQXEVSA-N 1 2 292.814 2.462 20 30 CEEDLO C=CC[C@@H](C)[NH2+][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000879178338 651255769 /nfs/dbraw/zinc/25/57/69/651255769.db2.gz OTIRCXBLKYFAAD-IUODEOHRSA-N 1 2 277.364 2.334 20 30 CEEDLO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000879619332 651330830 /nfs/dbraw/zinc/33/08/30/651330830.db2.gz RAVIVRJYDIABQA-CQSZACIVSA-N 1 2 262.328 2.290 20 30 CEEDLO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000879619332 651330831 /nfs/dbraw/zinc/33/08/31/651330831.db2.gz RAVIVRJYDIABQA-CQSZACIVSA-N 1 2 262.328 2.290 20 30 CEEDLO COCC1([N@H+](C)Cc2nc(C#N)cs2)CCC1 ZINC000880185580 651397135 /nfs/dbraw/zinc/39/71/35/651397135.db2.gz VDGMSPBMXYAQGX-UHFFFAOYSA-N 1 2 251.355 2.016 20 30 CEEDLO COCC1([N@@H+](C)Cc2nc(C#N)cs2)CCC1 ZINC000880185580 651397136 /nfs/dbraw/zinc/39/71/36/651397136.db2.gz VDGMSPBMXYAQGX-UHFFFAOYSA-N 1 2 251.355 2.016 20 30 CEEDLO N#Cc1ccc2c(c1)C[C@H](Nc1cc(CO)cc[nH+]1)C2 ZINC000882706413 652187682 /nfs/dbraw/zinc/18/76/82/652187682.db2.gz CVKHIGOZNBRDQF-OAHLLOKOSA-N 1 2 265.316 2.025 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@@H]1CCCO1 ZINC000883233174 652408847 /nfs/dbraw/zinc/40/88/47/652408847.db2.gz BIMKAJATFGDANQ-STQMWFEESA-N 1 2 293.415 2.032 20 30 CEEDLO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000883356408 652440340 /nfs/dbraw/zinc/44/03/40/652440340.db2.gz MXCOAQRTUJRUDX-AAEUAGOBSA-N 1 2 259.353 2.009 20 30 CEEDLO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000883356409 652440657 /nfs/dbraw/zinc/44/06/57/652440657.db2.gz MXCOAQRTUJRUDX-DGCLKSJQSA-N 1 2 259.353 2.009 20 30 CEEDLO C[C@@H](C#N)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883602465 652511784 /nfs/dbraw/zinc/51/17/84/652511784.db2.gz TZLLXEODIIPQRG-DZGCQCFKSA-N 1 2 297.362 2.083 20 30 CEEDLO C=CC[NH+]1CCN(c2ncc(Cl)cc2F)CC1 ZINC001165033815 721863897 /nfs/dbraw/zinc/86/38/97/721863897.db2.gz ZADMHEBFPAKPOP-UHFFFAOYSA-N 1 2 255.724 2.182 20 30 CEEDLO C=CC[NH2+][C@H]1CCCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001088316549 806113184 /nfs/dbraw/zinc/11/31/84/806113184.db2.gz CUQTWVLUXLIRON-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001088316549 806113187 /nfs/dbraw/zinc/11/31/87/806113187.db2.gz CUQTWVLUXLIRON-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C[C@@H]1C[C@@H]([N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001168107911 806181462 /nfs/dbraw/zinc/18/14/62/806181462.db2.gz ZOPGIGJEDPFYFI-HIFRSBDPSA-N 1 2 259.353 2.365 20 30 CEEDLO C[C@@H]1C[C@@H]([N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001168107911 806181468 /nfs/dbraw/zinc/18/14/68/806181468.db2.gz ZOPGIGJEDPFYFI-HIFRSBDPSA-N 1 2 259.353 2.365 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC001088541891 806361892 /nfs/dbraw/zinc/36/18/92/806361892.db2.gz BSBLUPSGLNTISO-MNOVXSKESA-N 1 2 299.827 2.397 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC001088541891 806361904 /nfs/dbraw/zinc/36/19/04/806361904.db2.gz BSBLUPSGLNTISO-MNOVXSKESA-N 1 2 299.827 2.397 20 30 CEEDLO CCC(=O)CO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001204870816 806588022 /nfs/dbraw/zinc/58/80/22/806588022.db2.gz NECDSFJFTKHKKG-MRXNPFEDSA-N 1 2 272.348 2.128 20 30 CEEDLO CCC(=O)CO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001204870816 806588029 /nfs/dbraw/zinc/58/80/29/806588029.db2.gz NECDSFJFTKHKKG-MRXNPFEDSA-N 1 2 272.348 2.128 20 30 CEEDLO N#CCc1ccnc(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167125950 802514305 /nfs/dbraw/zinc/51/43/05/802514305.db2.gz KUGOBAXVGSKBMA-UHFFFAOYSA-N 1 2 267.336 2.186 20 30 CEEDLO C#CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000754093020 802553756 /nfs/dbraw/zinc/55/37/56/802553756.db2.gz ZJUXKJPIEGRPGD-PBHICJAKSA-N 1 2 299.418 2.082 20 30 CEEDLO C#CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000754093020 802553762 /nfs/dbraw/zinc/55/37/62/802553762.db2.gz ZJUXKJPIEGRPGD-PBHICJAKSA-N 1 2 299.418 2.082 20 30 CEEDLO COC(=O)c1cccc2[nH+]cc(NC3=CC(=O)C[C@H](C)C3)n21 ZINC001210769885 802730544 /nfs/dbraw/zinc/73/05/44/802730544.db2.gz WQFQISZZEJSGCJ-SNVBAGLBSA-N 1 2 299.330 2.416 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001038383694 807000248 /nfs/dbraw/zinc/00/02/48/807000248.db2.gz SIKLZKRJQFOPRC-CQSZACIVSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001038383694 807000253 /nfs/dbraw/zinc/00/02/53/807000253.db2.gz SIKLZKRJQFOPRC-CQSZACIVSA-N 1 2 297.358 2.332 20 30 CEEDLO N#Cc1cnc(Cl)cc1NC1CN(c2cccc[nH+]2)C1 ZINC001161318897 802820750 /nfs/dbraw/zinc/82/07/50/802820750.db2.gz AAYKEMUPYIOMHN-UHFFFAOYSA-N 1 2 285.738 2.302 20 30 CEEDLO Cc1cn(C)nc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000724057595 803021098 /nfs/dbraw/zinc/02/10/98/803021098.db2.gz IRZYSMRXGOGQBY-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1cn(C)nc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000724057595 803021105 /nfs/dbraw/zinc/02/11/05/803021105.db2.gz IRZYSMRXGOGQBY-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC001117674857 814936258 /nfs/dbraw/zinc/93/62/58/814936258.db2.gz UQZLBUHLAISRLQ-DOMZBBRYSA-N 1 2 282.347 2.388 20 30 CEEDLO Cc1cn2cc(NC(=O)c3ccc(C#N)n3C)ccc2[nH+]1 ZINC001125613131 803176407 /nfs/dbraw/zinc/17/64/07/803176407.db2.gz ZVGFJLAILLZJKM-UHFFFAOYSA-N 1 2 279.303 2.105 20 30 CEEDLO Nc1cc(CNc2ccc3c(c2)CC/C3=N/O)cc[nH+]1 ZINC001167618244 803206684 /nfs/dbraw/zinc/20/66/84/803206684.db2.gz GGBQYYVSTHLFFR-RGEXLXHISA-N 1 2 268.320 2.400 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cscc1C(F)F ZINC001038270705 803348029 /nfs/dbraw/zinc/34/80/29/803348029.db2.gz UXCNWOLHXSPATD-VIFPVBQESA-N 1 2 284.331 2.123 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cscc1C(F)F ZINC001038270705 803348036 /nfs/dbraw/zinc/34/80/36/803348036.db2.gz UXCNWOLHXSPATD-VIFPVBQESA-N 1 2 284.331 2.123 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N(C)CC[NH2+]Cc1ncc(CC)o1 ZINC001267424338 803463545 /nfs/dbraw/zinc/46/35/45/803463545.db2.gz LFRAVMLSKKADLV-MRXNPFEDSA-N 1 2 293.411 2.387 20 30 CEEDLO N#Cc1c(F)cc(CN2CCn3c[nH+]cc3C2)cc1F ZINC001140754903 803519074 /nfs/dbraw/zinc/51/90/74/803519074.db2.gz NPQXSLMXGVUYTB-UHFFFAOYSA-N 1 2 274.274 2.049 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001038345807 803668727 /nfs/dbraw/zinc/66/87/27/803668727.db2.gz MKZVDJZWUYMDPR-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001038345807 803668729 /nfs/dbraw/zinc/66/87/29/803668729.db2.gz MKZVDJZWUYMDPR-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(=O)OCC)cs1 ZINC000395268639 803671971 /nfs/dbraw/zinc/67/19/71/803671971.db2.gz PHPHBGCSFYACDB-ZDUSSCGKSA-N 1 2 266.366 2.211 20 30 CEEDLO C=CCCC(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112049354 803691279 /nfs/dbraw/zinc/69/12/79/803691279.db2.gz KWGDUFUVTDCUQU-UHFFFAOYSA-N 1 2 276.384 2.036 20 30 CEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cocn1)C2 ZINC001141130051 803732714 /nfs/dbraw/zinc/73/27/14/803732714.db2.gz SYSNRCDIJLUEFE-LSDHHAIUSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cocn1)C2 ZINC001141130051 803732720 /nfs/dbraw/zinc/73/27/20/803732720.db2.gz SYSNRCDIJLUEFE-LSDHHAIUSA-N 1 2 278.352 2.001 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cscc1Cl ZINC001038374839 803851424 /nfs/dbraw/zinc/85/14/24/803851424.db2.gz GNMQMQWPDKWVSK-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cscc1Cl ZINC001038374839 803851430 /nfs/dbraw/zinc/85/14/30/803851430.db2.gz GNMQMQWPDKWVSK-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO C[NH+](C)Cc1csc(CNc2cccc(C#N)n2)n1 ZINC000722408829 804461173 /nfs/dbraw/zinc/46/11/73/804461173.db2.gz 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816565719 /nfs/dbraw/zinc/56/57/19/816565719.db2.gz YBHXKMBPPUTRPG-UHFFFAOYSA-N 1 2 298.390 2.404 20 30 CEEDLO CC(C)(S)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177625831 816594611 /nfs/dbraw/zinc/59/46/11/816594611.db2.gz HMJGUHRPEDYXNC-LBPRGKRZSA-N 1 2 282.409 2.069 20 30 CEEDLO CC(C)(S)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177625831 816594615 /nfs/dbraw/zinc/59/46/15/816594615.db2.gz HMJGUHRPEDYXNC-LBPRGKRZSA-N 1 2 282.409 2.069 20 30 CEEDLO C[C@@]1(O)CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897609 816597020 /nfs/dbraw/zinc/59/70/20/816597020.db2.gz XVXIKWJFSDPDNG-CYBMUJFWSA-N 1 2 295.180 2.277 20 30 CEEDLO C[C@@]1(O)CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897609 816597022 /nfs/dbraw/zinc/59/70/22/816597022.db2.gz XVXIKWJFSDPDNG-CYBMUJFWSA-N 1 2 295.180 2.277 20 30 CEEDLO N#CCc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1F ZINC001177996322 816655464 /nfs/dbraw/zinc/65/54/64/816655464.db2.gz DHXJUYNFUPJOKM-UHFFFAOYSA-N 1 2 272.283 2.186 20 30 CEEDLO C#CCC[NH2+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001178534763 816760084 /nfs/dbraw/zinc/76/00/84/816760084.db2.gz APXSZLNQYYRTEU-NSHDSACASA-N 1 2 296.308 2.176 20 30 CEEDLO C#CCC[NH2+]CCCCCCNC(=O)[C@H](F)C(F)(F)F ZINC001178534763 816760089 /nfs/dbraw/zinc/76/00/89/816760089.db2.gz APXSZLNQYYRTEU-NSHDSACASA-N 1 2 296.308 2.176 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(N)n1 ZINC001143196457 816807758 /nfs/dbraw/zinc/80/77/58/816807758.db2.gz BCLOOPRVJCDNTK-UHFFFAOYSA-N 1 2 278.359 2.402 20 30 CEEDLO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(N)n1 ZINC001143196457 816807765 /nfs/dbraw/zinc/80/77/65/816807765.db2.gz BCLOOPRVJCDNTK-UHFFFAOYSA-N 1 2 278.359 2.402 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)nn1 ZINC001178986167 816823986 /nfs/dbraw/zinc/82/39/86/816823986.db2.gz HSXZYEDHUDGDAJ-UHFFFAOYSA-N 1 2 296.733 2.252 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)CCS1 ZINC000336401228 365570401 /nfs/dbraw/zinc/57/04/01/365570401.db2.gz CIKRSRNTPCTWIA-SECBINFHSA-N 1 2 253.396 2.342 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)CCS1 ZINC000336401228 365570409 /nfs/dbraw/zinc/57/04/09/365570409.db2.gz CIKRSRNTPCTWIA-SECBINFHSA-N 1 2 253.396 2.342 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124763086 187152464 /nfs/dbraw/zinc/15/24/64/187152464.db2.gz RSDASQHVHZMWIU-JTQLQIEISA-N 1 2 271.280 2.164 20 30 CEEDLO N#Cc1cccc(CNc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000121814320 365618862 /nfs/dbraw/zinc/61/88/62/365618862.db2.gz PPPTUHNPVLYMHV-UHFFFAOYSA-N 1 2 294.358 2.402 20 30 CEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000336548117 365629322 /nfs/dbraw/zinc/62/93/22/365629322.db2.gz RFODSIUDRMUEPQ-AWEZNQCLSA-N 1 2 297.362 2.470 20 30 CEEDLO C=C[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000674934011 539173915 /nfs/dbraw/zinc/17/39/15/539173915.db2.gz OOWINHQHTGSJML-OCCSQVGLSA-N 1 2 284.363 2.383 20 30 CEEDLO CCC#C[C@@H](C)[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000677048236 539183419 /nfs/dbraw/zinc/18/34/19/539183419.db2.gz REDQIRIFHFYREG-GFCCVEGCSA-N 1 2 278.425 2.024 20 30 CEEDLO C=CCCn1cc(C[NH+]2CC(COC)(C3CCC3)C2)nn1 ZINC000668515704 539188031 /nfs/dbraw/zinc/18/80/31/539188031.db2.gz XUDHVCIBGGSLTQ-UHFFFAOYSA-N 1 2 290.411 2.103 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601805586 346902686 /nfs/dbraw/zinc/90/26/86/346902686.db2.gz FMLNFGWJAYBJJA-DZGCQCFKSA-N 1 2 296.374 2.495 20 30 CEEDLO CN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCC[C@@H]1C#N ZINC000601804957 346903204 /nfs/dbraw/zinc/90/32/04/346903204.db2.gz AWKBYPPPQHARSQ-DGCLKSJQSA-N 1 2 268.320 2.099 20 30 CEEDLO O=C(N[C@@H]1CCOc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329410945 539238755 /nfs/dbraw/zinc/23/87/55/539238755.db2.gz DTODJILMCWSCEI-CYBMUJFWSA-N 1 2 298.346 2.137 20 30 CEEDLO CN(C(=O)Cc1cn2ccccc2[nH+]1)[C@H]1CCC[C@@H]1C#N ZINC000601825036 346912106 /nfs/dbraw/zinc/91/21/06/346912106.db2.gz YMYPJWQBWQNXGF-OCCSQVGLSA-N 1 2 282.347 2.027 20 30 CEEDLO C[C@H]([NH2+]Cc1ncnn1CC(F)F)c1ccc(C#N)cc1 ZINC000338344098 214539682 /nfs/dbraw/zinc/53/96/82/214539682.db2.gz COECNAAZBOGBKJ-JTQLQIEISA-N 1 2 291.305 2.266 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC#N)c1ccc(Cl)cc1 ZINC000041205360 362025419 /nfs/dbraw/zinc/02/54/19/362025419.db2.gz LAYXBLFROAPRBT-ZDUSSCGKSA-N 1 2 288.738 2.193 20 30 CEEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000042321316 362082724 /nfs/dbraw/zinc/08/27/24/362082724.db2.gz UDLHFDQSXOUOJO-LBPRGKRZSA-N 1 2 255.325 2.267 20 30 CEEDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CC#Cc1ccccc1Cl ZINC000336610783 365717382 /nfs/dbraw/zinc/71/73/82/365717382.db2.gz FAAMODURLVPTMN-KGLIPLIRSA-N 1 2 288.778 2.044 20 30 CEEDLO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CC#Cc1ccccc1Cl ZINC000336610783 365717388 /nfs/dbraw/zinc/71/73/88/365717388.db2.gz FAAMODURLVPTMN-KGLIPLIRSA-N 1 2 288.778 2.044 20 30 CEEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000026028872 343388919 /nfs/dbraw/zinc/38/89/19/343388919.db2.gz WCZCMJFOPGPNNB-UHFFFAOYSA-N 1 2 279.727 2.003 20 30 CEEDLO CCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043545410 343465182 /nfs/dbraw/zinc/46/51/82/343465182.db2.gz CNNUSLPTKPJYCU-UHFFFAOYSA-N 1 2 271.364 2.003 20 30 CEEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000044089481 343468814 /nfs/dbraw/zinc/46/88/14/343468814.db2.gz ZWCUWJKKPMNABB-UHFFFAOYSA-N 1 2 291.782 2.402 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000333087176 539320997 /nfs/dbraw/zinc/32/09/97/539320997.db2.gz BTTHONFDVNJLGU-QEJZJMRPSA-N 1 2 269.348 2.222 20 30 CEEDLO N#Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000052185223 343557277 /nfs/dbraw/zinc/55/72/77/343557277.db2.gz VZURHVLKGJPCSM-UHFFFAOYSA-N 1 2 279.347 2.429 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601972769 346946785 /nfs/dbraw/zinc/94/67/85/346946785.db2.gz OYXZBLGHWVRHRI-ZDUSSCGKSA-N 1 2 266.291 2.414 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601972769 346946794 /nfs/dbraw/zinc/94/67/94/346946794.db2.gz OYXZBLGHWVRHRI-ZDUSSCGKSA-N 1 2 266.291 2.414 20 30 CEEDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000354926179 529740574 /nfs/dbraw/zinc/74/05/74/529740574.db2.gz HDWFCJKANRQSDM-SECBINFHSA-N 1 2 273.315 2.229 20 30 CEEDLO C=CCN(C)c1nc(C)[nH+]c(C)c1Br ZINC000306420709 539328334 /nfs/dbraw/zinc/32/83/34/539328334.db2.gz XOGRTPPSXAVXNC-UHFFFAOYSA-N 1 2 256.147 2.478 20 30 CEEDLO C=CCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414428890 539331259 /nfs/dbraw/zinc/33/12/59/539331259.db2.gz CIFSAQVFZKZADH-UHFFFAOYSA-N 1 2 259.396 2.160 20 30 CEEDLO C=CCC[N@H+](C)Cc1ccc(S(C)(=O)=O)s1 ZINC000414428890 539331267 /nfs/dbraw/zinc/33/12/67/539331267.db2.gz CIFSAQVFZKZADH-UHFFFAOYSA-N 1 2 259.396 2.160 20 30 CEEDLO C=CCOCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000679584404 539333468 /nfs/dbraw/zinc/33/34/68/539333468.db2.gz OEODBOXKECZELY-HNNXBMFYSA-N 1 2 289.354 2.441 20 30 CEEDLO N#CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000057878274 343639792 /nfs/dbraw/zinc/63/97/92/343639792.db2.gz HVHBOAONBJDFON-UHFFFAOYSA-N 1 2 297.402 2.070 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C[C@H](C)C#N ZINC000064249186 343687605 /nfs/dbraw/zinc/68/76/05/343687605.db2.gz OIELFWPNENUIQV-LLVKDONJSA-N 1 2 295.333 2.063 20 30 CEEDLO CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C[C@H](C)C#N ZINC000064249186 343687608 /nfs/dbraw/zinc/68/76/08/343687608.db2.gz OIELFWPNENUIQV-LLVKDONJSA-N 1 2 295.333 2.063 20 30 CEEDLO CC[N@@H+](CC(=O)NCCc1ccccc1C)C[C@H](C)C#N ZINC000066424340 343713881 /nfs/dbraw/zinc/71/38/81/343713881.db2.gz AUAWBWVNYMZBSN-CQSZACIVSA-N 1 2 287.407 2.135 20 30 CEEDLO CC[N@H+](CC(=O)NCCc1ccccc1C)C[C@H](C)C#N ZINC000066424340 343713883 /nfs/dbraw/zinc/71/38/83/343713883.db2.gz AUAWBWVNYMZBSN-CQSZACIVSA-N 1 2 287.407 2.135 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602080976 346969746 /nfs/dbraw/zinc/96/97/46/346969746.db2.gz QRZSGTYCNSXXMD-VXGBXAGGSA-N 1 2 296.330 2.422 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602080976 346969749 /nfs/dbraw/zinc/96/97/49/346969749.db2.gz QRZSGTYCNSXXMD-VXGBXAGGSA-N 1 2 296.330 2.422 20 30 CEEDLO CC(C)C[C@H](C(=O)NCC1(CC#N)CC1)n1cc[nH+]c1 ZINC000602148256 346982038 /nfs/dbraw/zinc/98/20/38/346982038.db2.gz ISYXAFKGWCLSDI-CYBMUJFWSA-N 1 2 274.368 2.280 20 30 CEEDLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000075264906 343843764 /nfs/dbraw/zinc/84/37/64/343843764.db2.gz JXDRELINHQZSNJ-ZDUSSCGKSA-N 1 2 282.347 2.412 20 30 CEEDLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000075264910 343844627 /nfs/dbraw/zinc/84/46/27/343844627.db2.gz JXDRELINHQZSNJ-CYBMUJFWSA-N 1 2 282.347 2.412 20 30 CEEDLO C=C(C)COCCNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667953143 539381776 /nfs/dbraw/zinc/38/17/76/539381776.db2.gz RRNALKPIMKFVSM-UHFFFAOYSA-N 1 2 288.351 2.357 20 30 CEEDLO C=C(Cl)CNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000077790423 343933164 /nfs/dbraw/zinc/93/31/64/343933164.db2.gz VPPNWTQICRMXDZ-UHFFFAOYSA-N 1 2 296.802 2.480 20 30 CEEDLO CN(C)c1[nH+]cccc1CNc1ncccc1C#N ZINC000048559464 362283626 /nfs/dbraw/zinc/28/36/26/362283626.db2.gz RQSVEAGAGYXUNG-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000048571302 362286827 /nfs/dbraw/zinc/28/68/27/362286827.db2.gz MYPMJZJPRLKBMU-JTQLQIEISA-N 1 2 276.174 2.170 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000048571302 362286829 /nfs/dbraw/zinc/28/68/29/362286829.db2.gz MYPMJZJPRLKBMU-JTQLQIEISA-N 1 2 276.174 2.170 20 30 CEEDLO Cc1nnc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000268291302 282322666 /nfs/dbraw/zinc/32/26/66/282322666.db2.gz URWWPFOKXDQJJJ-NHYWBVRUSA-N 1 2 296.378 2.249 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1OCCCCO ZINC000602447313 347036577 /nfs/dbraw/zinc/03/65/77/347036577.db2.gz MNPMVHLUNALGQY-CQSZACIVSA-N 1 2 276.380 2.429 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1OCCCCO ZINC000602447313 347036580 /nfs/dbraw/zinc/03/65/80/347036580.db2.gz MNPMVHLUNALGQY-CQSZACIVSA-N 1 2 276.380 2.429 20 30 CEEDLO Cn1nncc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872148 344231714 /nfs/dbraw/zinc/23/17/14/344231714.db2.gz QORYIAKAKJBQPW-HOTGVXAUSA-N 1 2 281.363 2.087 20 30 CEEDLO Cn1nncc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872148 344231715 /nfs/dbraw/zinc/23/17/15/344231715.db2.gz QORYIAKAKJBQPW-HOTGVXAUSA-N 1 2 281.363 2.087 20 30 CEEDLO CCCNC(=O)C[N@H+](CCC)Cc1cc(C#N)ccc1F ZINC000052246761 362470288 /nfs/dbraw/zinc/47/02/88/362470288.db2.gz OUOKDQWSBWNSJY-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(C#N)ccc1F ZINC000052246761 362470290 /nfs/dbraw/zinc/47/02/90/362470290.db2.gz OUOKDQWSBWNSJY-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO C[C@@H](CC#N)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390339630 344837750 /nfs/dbraw/zinc/83/77/50/344837750.db2.gz MNLWZLIPHOILDS-ZDUSSCGKSA-N 1 2 254.337 2.323 20 30 CEEDLO C=CCOc1ccc(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000519620301 344927553 /nfs/dbraw/zinc/92/75/53/344927553.db2.gz ZPVLMDSEHZGXJT-GFCCVEGCSA-N 1 2 285.347 2.394 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000586792390 345023038 /nfs/dbraw/zinc/02/30/38/345023038.db2.gz SYPKSHSJNQCEHY-MRXNPFEDSA-N 1 2 284.363 2.241 20 30 CEEDLO Cc1ccc(Cc2noc(-c3ccc(C#N)cn3)n2)c[nH+]1 ZINC000589100856 345065736 /nfs/dbraw/zinc/06/57/36/345065736.db2.gz TXIAFOMXHKAGAD-UHFFFAOYSA-N 1 2 277.287 2.298 20 30 CEEDLO N#CC1(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000590196231 345121025 /nfs/dbraw/zinc/12/10/25/345121025.db2.gz RDKSRNBKSHKZEW-NSHDSACASA-N 1 2 258.325 2.157 20 30 CEEDLO CC(C)(C)c1ccc(C#N)c(N2CCn3c[nH+]cc3C2)n1 ZINC000589605496 345088916 /nfs/dbraw/zinc/08/89/16/345088916.db2.gz RJKZTHQJKAEZCN-UHFFFAOYSA-N 1 2 281.363 2.467 20 30 CEEDLO Cc1cc(NC(=O)c2cc(O)cc(C#N)c2)cn2cc[nH+]c12 ZINC000590500801 345143252 /nfs/dbraw/zinc/14/32/52/345143252.db2.gz BNKBDSQXMGJEAI-UHFFFAOYSA-N 1 2 292.298 2.472 20 30 CEEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567466 345146015 /nfs/dbraw/zinc/14/60/15/345146015.db2.gz HDMPAFAPPGWOMB-UHFFFAOYSA-N 1 2 293.252 2.258 20 30 CEEDLO C[N@@H+](Cc1ccncc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000592058818 345316975 /nfs/dbraw/zinc/31/69/75/345316975.db2.gz PFOWASMQNAFVIC-OAHLLOKOSA-N 1 2 295.342 2.225 20 30 CEEDLO C[N@H+](Cc1ccncc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000592058818 345316979 /nfs/dbraw/zinc/31/69/79/345316979.db2.gz PFOWASMQNAFVIC-OAHLLOKOSA-N 1 2 295.342 2.225 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1CCCC2 ZINC000591773634 345279761 /nfs/dbraw/zinc/27/97/61/345279761.db2.gz SAMHUCSPJWUJNX-OAHLLOKOSA-N 1 2 287.407 2.184 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1CCCC2 ZINC000591773634 345279766 /nfs/dbraw/zinc/27/97/66/345279766.db2.gz SAMHUCSPJWUJNX-OAHLLOKOSA-N 1 2 287.407 2.184 20 30 CEEDLO Cc1cc(N(C)C[C@H]2CCCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000591822677 345285408 /nfs/dbraw/zinc/28/54/08/345285408.db2.gz TTXRYOQASQYZQX-DOMZBBRYSA-N 1 2 259.353 2.249 20 30 CEEDLO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC2(CCCC2)O1 ZINC000592189825 345335738 /nfs/dbraw/zinc/33/57/38/345335738.db2.gz XDZMYRMOHBQUAD-UONOGXRCSA-N 1 2 261.369 2.463 20 30 CEEDLO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC2(CCCC2)O1 ZINC000592189825 345335740 /nfs/dbraw/zinc/33/57/40/345335740.db2.gz XDZMYRMOHBQUAD-UONOGXRCSA-N 1 2 261.369 2.463 20 30 CEEDLO CC[C@H]1C[NH+](Cc2ccncc2C#N)C[C@H](CC)O1 ZINC000592124381 345326090 /nfs/dbraw/zinc/32/60/90/345326090.db2.gz ALZZJMNDJJTYMU-GJZGRUSLSA-N 1 2 259.353 2.343 20 30 CEEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147104 345329537 /nfs/dbraw/zinc/32/95/37/345329537.db2.gz LUMQFEPRMPJITA-IINYFYTJSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147104 345329539 /nfs/dbraw/zinc/32/95/39/345329539.db2.gz LUMQFEPRMPJITA-IINYFYTJSA-N 1 2 266.291 2.376 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000592152006 345331225 /nfs/dbraw/zinc/33/12/25/345331225.db2.gz SVTMZLJVVZVQPV-OAHLLOKOSA-N 1 2 274.751 2.042 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000592152006 345331227 /nfs/dbraw/zinc/33/12/27/345331227.db2.gz SVTMZLJVVZVQPV-OAHLLOKOSA-N 1 2 274.751 2.042 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@H](CC)CO1 ZINC000593058463 345430532 /nfs/dbraw/zinc/43/05/32/345430532.db2.gz MLOSCPCXEBFOGF-HUUCEWRRSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@H](CC)CO1 ZINC000593058463 345430534 /nfs/dbraw/zinc/43/05/34/345430534.db2.gz MLOSCPCXEBFOGF-HUUCEWRRSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593070036 345433132 /nfs/dbraw/zinc/43/31/32/345433132.db2.gz NARXUGMDOROZAO-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593070036 345433133 /nfs/dbraw/zinc/43/31/33/345433133.db2.gz NARXUGMDOROZAO-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO N#Cc1cccc2c1C[N@H+](C[C@H](O)Cc1ccccc1)C2 ZINC000593125962 345444981 /nfs/dbraw/zinc/44/49/81/345444981.db2.gz SCJUFHZTLFDRQE-QGZVFWFLSA-N 1 2 278.355 2.477 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+](C[C@H](O)Cc1ccccc1)C2 ZINC000593125962 345444985 /nfs/dbraw/zinc/44/49/85/345444985.db2.gz SCJUFHZTLFDRQE-QGZVFWFLSA-N 1 2 278.355 2.477 20 30 CEEDLO N#Cc1cccc2c1C[N@H+](C[C@@H](O)COCc1ccco1)C2 ZINC000593126695 345445144 /nfs/dbraw/zinc/44/51/44/345445144.db2.gz VBEHCIOUDZPCTL-OAHLLOKOSA-N 1 2 298.342 2.045 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H](O)COCc1ccco1)C2 ZINC000593126695 345445146 /nfs/dbraw/zinc/44/51/46/345445146.db2.gz VBEHCIOUDZPCTL-OAHLLOKOSA-N 1 2 298.342 2.045 20 30 CEEDLO CCC[C@H](CC(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153658 345447847 /nfs/dbraw/zinc/44/78/47/345447847.db2.gz ZYEQIMCXNLHHRG-UKRRQHHQSA-N 1 2 267.417 2.409 20 30 CEEDLO CC[C@@H](C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000593470213 345492843 /nfs/dbraw/zinc/49/28/43/345492843.db2.gz QUHBVXRREQZKHA-GXFFZTMASA-N 1 2 295.333 2.233 20 30 CEEDLO CC[C@@H](C#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000593493626 345497900 /nfs/dbraw/zinc/49/79/00/345497900.db2.gz IFUCTRVDTVLLHL-HNNXBMFYSA-N 1 2 296.374 2.440 20 30 CEEDLO CC[C@@H](C#N)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000593418505 345481419 /nfs/dbraw/zinc/48/14/19/345481419.db2.gz IEQWKTNLIXUYMC-ZDUSSCGKSA-N 1 2 298.346 2.450 20 30 CEEDLO CCn1c[nH+]cc1CN1Cc2cccc(C#N)c2C1 ZINC000593698476 345523840 /nfs/dbraw/zinc/52/38/40/345523840.db2.gz QMBJSCLLFXITIF-UHFFFAOYSA-N 1 2 252.321 2.290 20 30 CEEDLO Cc1cccn2cc(CNC(=O)CCCCC#N)[nH+]c12 ZINC000594286309 345608831 /nfs/dbraw/zinc/60/88/31/345608831.db2.gz SHFBSJZETCTEEC-UHFFFAOYSA-N 1 2 270.336 2.343 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1[nH]nc(C)c1C(=O)OCC ZINC000595482732 345793202 /nfs/dbraw/zinc/79/32/02/345793202.db2.gz VLNUMOQSUDIKTF-GFCCVEGCSA-N 1 2 277.368 2.435 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1[nH]nc(C)c1C(=O)OCC ZINC000595482732 345793205 /nfs/dbraw/zinc/79/32/05/345793205.db2.gz VLNUMOQSUDIKTF-GFCCVEGCSA-N 1 2 277.368 2.435 20 30 CEEDLO N#CCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595507653 345799101 /nfs/dbraw/zinc/79/91/01/345799101.db2.gz YOWBAOZKHZWZAS-UHFFFAOYSA-N 1 2 265.307 2.391 20 30 CEEDLO N#CCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595507653 345799102 /nfs/dbraw/zinc/79/91/02/345799102.db2.gz YOWBAOZKHZWZAS-UHFFFAOYSA-N 1 2 265.307 2.391 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595748007 345864734 /nfs/dbraw/zinc/86/47/34/345864734.db2.gz SQXIPMPRQVTPHQ-UHFFFAOYSA-N 1 2 287.319 2.245 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595748007 345864737 /nfs/dbraw/zinc/86/47/37/345864737.db2.gz SQXIPMPRQVTPHQ-UHFFFAOYSA-N 1 2 287.319 2.245 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000595616479 345829136 /nfs/dbraw/zinc/82/91/36/345829136.db2.gz QYFJIBUPUAXZKD-CYBMUJFWSA-N 1 2 282.347 2.122 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000595616479 345829138 /nfs/dbraw/zinc/82/91/38/345829138.db2.gz QYFJIBUPUAXZKD-CYBMUJFWSA-N 1 2 282.347 2.122 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835332 345891552 /nfs/dbraw/zinc/89/15/52/345891552.db2.gz OSKOHSCMIULREK-CXAGYDPISA-N 1 2 283.375 2.200 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835332 345891554 /nfs/dbraw/zinc/89/15/54/345891554.db2.gz OSKOHSCMIULREK-CXAGYDPISA-N 1 2 283.375 2.200 20 30 CEEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834571 345891646 /nfs/dbraw/zinc/89/16/46/345891646.db2.gz MNXHYCVJDAKFCJ-HLPPOEQASA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834571 345891647 /nfs/dbraw/zinc/89/16/47/345891647.db2.gz MNXHYCVJDAKFCJ-HLPPOEQASA-N 1 2 277.412 2.115 20 30 CEEDLO CC(=O)Nc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840229 345895096 /nfs/dbraw/zinc/89/50/96/345895096.db2.gz PKBXDIMWOICDON-OAHLLOKOSA-N 1 2 257.337 2.381 20 30 CEEDLO CC(=O)Nc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840229 345895099 /nfs/dbraw/zinc/89/50/99/345895099.db2.gz PKBXDIMWOICDON-OAHLLOKOSA-N 1 2 257.337 2.381 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595769244 345872128 /nfs/dbraw/zinc/87/21/28/345872128.db2.gz ULGOKJGQILTQEM-WBVHZDCISA-N 1 2 289.375 2.386 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000595769244 345872131 /nfs/dbraw/zinc/87/21/31/345872131.db2.gz ULGOKJGQILTQEM-WBVHZDCISA-N 1 2 289.375 2.386 20 30 CEEDLO CC[N@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@H](C)C#N ZINC000595821062 345885927 /nfs/dbraw/zinc/88/59/27/345885927.db2.gz SQWDCXRUDFVYCU-HUUCEWRRSA-N 1 2 285.391 2.383 20 30 CEEDLO CC[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@H](C)C#N ZINC000595821062 345885929 /nfs/dbraw/zinc/88/59/29/345885929.db2.gz SQWDCXRUDFVYCU-HUUCEWRRSA-N 1 2 285.391 2.383 20 30 CEEDLO C[C@@]1(C(F)F)C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595918336 345912595 /nfs/dbraw/zinc/91/25/95/345912595.db2.gz WUWVBCLMGBQCBN-HNNXBMFYSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@@]1(C(F)F)C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595918336 345912597 /nfs/dbraw/zinc/91/25/97/345912597.db2.gz WUWVBCLMGBQCBN-HNNXBMFYSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@@]1(C(F)F)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595917070 345912624 /nfs/dbraw/zinc/91/26/24/345912624.db2.gz MZCSFCCPRRVYCM-AWEZNQCLSA-N 1 2 266.291 2.414 20 30 CEEDLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595917070 345912626 /nfs/dbraw/zinc/91/26/26/345912626.db2.gz MZCSFCCPRRVYCM-AWEZNQCLSA-N 1 2 266.291 2.414 20 30 CEEDLO N#Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)sc1Cl ZINC000596077375 345934297 /nfs/dbraw/zinc/93/42/97/345934297.db2.gz VLPGDAQKADYYJL-SCZZXKLOSA-N 1 2 282.800 2.129 20 30 CEEDLO N#Cc1nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)sc1Cl ZINC000596077375 345934298 /nfs/dbraw/zinc/93/42/98/345934298.db2.gz VLPGDAQKADYYJL-SCZZXKLOSA-N 1 2 282.800 2.129 20 30 CEEDLO C[C@@H](CNc1nc(C#N)c(Cl)s1)Cn1cc[nH+]c1 ZINC000596080253 345935412 /nfs/dbraw/zinc/93/54/12/345935412.db2.gz DTCUPHRNOBOZSZ-QMMMGPOBSA-N 1 2 281.772 2.035 20 30 CEEDLO CCc1nnc(N[C@H](C)c2[nH+]ccn2C)c(C#N)c1CC ZINC000596544060 346050982 /nfs/dbraw/zinc/05/09/82/346050982.db2.gz WFADXXTVKUVNHP-SNVBAGLBSA-N 1 2 284.367 2.380 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596709507 346078173 /nfs/dbraw/zinc/07/81/73/346078173.db2.gz SZDNVQGNFUHCJN-NSHDSACASA-N 1 2 283.335 2.483 20 30 CEEDLO C[C@@]1(C#N)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000596886717 346101532 /nfs/dbraw/zinc/10/15/32/346101532.db2.gz OEMRJJJNURFDRN-AWEZNQCLSA-N 1 2 269.308 2.102 20 30 CEEDLO Cc1ccc2cc(C[NH+]3CCN(CC#N)CC3)[nH]c2c1 ZINC000596994390 346113650 /nfs/dbraw/zinc/11/36/50/346113650.db2.gz GYATWPMPZXWCIO-UHFFFAOYSA-N 1 2 268.364 2.118 20 30 CEEDLO C=CCC[C@@H](NCc1[nH+]ccn1C(C)C)C(=O)OCC ZINC000597152220 346136327 /nfs/dbraw/zinc/13/63/27/346136327.db2.gz QGCHPJMRMDFXOL-CYBMUJFWSA-N 1 2 279.384 2.452 20 30 CEEDLO N#CCC1C[NH+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000597193872 346145630 /nfs/dbraw/zinc/14/56/30/346145630.db2.gz KDNSDFQAEBMIIO-UHFFFAOYSA-N 1 2 252.321 2.422 20 30 CEEDLO COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1OC ZINC000597229277 346155446 /nfs/dbraw/zinc/15/54/46/346155446.db2.gz KLYDWRMGXSYSHQ-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1OC ZINC000597229277 346155448 /nfs/dbraw/zinc/15/54/48/346155448.db2.gz KLYDWRMGXSYSHQ-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO Cc1cc(C)n2c(C[N@@H+]3CC[C@](C)(C#N)C3)cnc2n1 ZINC000597231803 346156116 /nfs/dbraw/zinc/15/61/16/346156116.db2.gz OUAAZEPVJQGBFY-OAHLLOKOSA-N 1 2 269.352 2.082 20 30 CEEDLO Cc1cc(C)n2c(C[N@H+]3CC[C@](C)(C#N)C3)cnc2n1 ZINC000597231803 346156120 /nfs/dbraw/zinc/15/61/20/346156120.db2.gz OUAAZEPVJQGBFY-OAHLLOKOSA-N 1 2 269.352 2.082 20 30 CEEDLO Cc1cccc2[nH+]cc(CN3CC[C@](C)(C#N)C3)n21 ZINC000597230851 346156131 /nfs/dbraw/zinc/15/61/31/346156131.db2.gz UHAVWTQJNCIFLX-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1cccc2ncc(C[N@@H+]3CC[C@](C)(C#N)C3)n21 ZINC000597230851 346156134 /nfs/dbraw/zinc/15/61/34/346156134.db2.gz UHAVWTQJNCIFLX-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1cccc2ncc(C[N@H+]3CC[C@](C)(C#N)C3)n21 ZINC000597230851 346156135 /nfs/dbraw/zinc/15/61/35/346156135.db2.gz UHAVWTQJNCIFLX-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO C[C@@H](CC#N)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000597624891 346209679 /nfs/dbraw/zinc/20/96/79/346209679.db2.gz FCYAONQQIOUIRJ-SMDDNHRTSA-N 1 2 291.782 2.363 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N([C@H](C)C#N)C3CC3)ccn12 ZINC000598137738 346298880 /nfs/dbraw/zinc/29/88/80/346298880.db2.gz QNNQDTSLEFNXII-SNVBAGLBSA-N 1 2 268.320 2.159 20 30 CEEDLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H](C)C#N ZINC000598348733 346333692 /nfs/dbraw/zinc/33/36/92/346333692.db2.gz IFBMXUAPCYACAJ-SNVBAGLBSA-N 1 2 256.309 2.017 20 30 CEEDLO N#CC1(NC(=O)C[NH2+][C@@H](C(F)F)C2CCCCC2)CCC1 ZINC000598650265 346394105 /nfs/dbraw/zinc/39/41/05/346394105.db2.gz JXBXTXGDJORSEE-CYBMUJFWSA-N 1 2 299.365 2.352 20 30 CEEDLO CC(C)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000598836394 346425561 /nfs/dbraw/zinc/42/55/61/346425561.db2.gz IDCPBANULQNAPZ-MRXNPFEDSA-N 1 2 273.380 2.384 20 30 CEEDLO CCCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(C)C ZINC000598836315 346425674 /nfs/dbraw/zinc/42/56/74/346425674.db2.gz FZCWNMPKNAIATO-ZFWWWQNUSA-N 1 2 267.417 2.409 20 30 CEEDLO N#CC1(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000598946807 346435781 /nfs/dbraw/zinc/43/57/81/346435781.db2.gz IYSUUGKFMJGYPB-ZDUSSCGKSA-N 1 2 286.379 2.178 20 30 CEEDLO Cc1cc[nH+]c([C@H]2CCN(c3nccnc3C#N)C2)c1 ZINC000599097325 346459690 /nfs/dbraw/zinc/45/96/90/346459690.db2.gz BMSCEBHGOLKGIP-LBPRGKRZSA-N 1 2 265.320 2.046 20 30 CEEDLO Cc1cc[nH+]c([C@H]2CCN(c3cc(C#N)ncn3)C2)c1 ZINC000599099007 346460577 /nfs/dbraw/zinc/46/05/77/346460577.db2.gz FAFNRIQHZZXAKU-LBPRGKRZSA-N 1 2 265.320 2.046 20 30 CEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000599372640 346509256 /nfs/dbraw/zinc/50/92/56/346509256.db2.gz XYSAVQGKALRRTG-SNVBAGLBSA-N 1 2 256.309 2.409 20 30 CEEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCC[C@](C)(C#N)C1 ZINC000602606097 347097285 /nfs/dbraw/zinc/09/72/85/347097285.db2.gz BHMCTQKMDDISHX-DZGCQCFKSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000602606097 347097289 /nfs/dbraw/zinc/09/72/89/347097289.db2.gz BHMCTQKMDDISHX-DZGCQCFKSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000602606097 347097291 /nfs/dbraw/zinc/09/72/91/347097291.db2.gz BHMCTQKMDDISHX-DZGCQCFKSA-N 1 2 258.369 2.497 20 30 CEEDLO Cc1cc(C(=O)NCCCCC#N)c2[nH+]ccn2c1 ZINC000599340548 346501725 /nfs/dbraw/zinc/50/17/25/346501725.db2.gz GDGFBNQETCBMDH-UHFFFAOYSA-N 1 2 256.309 2.066 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NC1CCCC1)C2 ZINC000599686693 346564941 /nfs/dbraw/zinc/56/49/41/346564941.db2.gz VTNFRPLXESRGME-UHFFFAOYSA-N 1 2 297.402 2.170 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NC1CCCC1)C2 ZINC000599686693 346564944 /nfs/dbraw/zinc/56/49/44/346564944.db2.gz VTNFRPLXESRGME-UHFFFAOYSA-N 1 2 297.402 2.170 20 30 CEEDLO COC(=O)[C@@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1 ZINC000600604253 346660227 /nfs/dbraw/zinc/66/02/27/346660227.db2.gz DVZICNBXTCZYGN-HNNXBMFYSA-N 1 2 270.332 2.328 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CCCO[C@@H]2CCOC2)c1 ZINC000129349801 365849027 /nfs/dbraw/zinc/84/90/27/365849027.db2.gz GAIGCXFQSMVKOF-QAEAHILHSA-N 1 2 293.363 2.405 20 30 CEEDLO COC(=O)[C@H]([NH2+]C[C@H](C)CCC#N)c1cccs1 ZINC000602635207 347115480 /nfs/dbraw/zinc/11/54/80/347115480.db2.gz QBSBLDCBVVFEMI-ZYHUDNBSSA-N 1 2 266.366 2.492 20 30 CEEDLO C=CCC[C@@H]([NH2+]C1CC(n2cccn2)C1)C(=O)OCC ZINC000602683959 347143361 /nfs/dbraw/zinc/14/33/61/347143361.db2.gz YTILXTSKYDUUHQ-JXQTWKCFSA-N 1 2 277.368 2.074 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)OCC ZINC000602683980 347143638 /nfs/dbraw/zinc/14/36/38/347143638.db2.gz ZDQGOQBAEYSFHQ-FRRDWIJNSA-N 1 2 255.358 2.041 20 30 CEEDLO N#CCC[N@H+](CCc1cnccn1)Cc1ccco1 ZINC000602781358 347194943 /nfs/dbraw/zinc/19/49/43/347194943.db2.gz KOCKRWRCYBRXDN-UHFFFAOYSA-N 1 2 256.309 2.028 20 30 CEEDLO N#CCC[N@@H+](CCc1cnccn1)Cc1ccco1 ZINC000602781358 347194948 /nfs/dbraw/zinc/19/49/48/347194948.db2.gz KOCKRWRCYBRXDN-UHFFFAOYSA-N 1 2 256.309 2.028 20 30 CEEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)CCN1CC(F)(F)F ZINC000602801886 347204835 /nfs/dbraw/zinc/20/48/35/347204835.db2.gz VELRUDAQZPBMES-NSHDSACASA-N 1 2 275.318 2.249 20 30 CEEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCN1CC(F)(F)F ZINC000602801886 347204838 /nfs/dbraw/zinc/20/48/38/347204838.db2.gz VELRUDAQZPBMES-NSHDSACASA-N 1 2 275.318 2.249 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)OC)C(=O)OC ZINC000602735436 347178383 /nfs/dbraw/zinc/17/83/83/347178383.db2.gz XBBSEOSYEIDMBQ-HZPDHXFCSA-N 1 2 291.391 2.342 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1Cc2ccccc2C1)C(=O)OC ZINC000602734676 347178561 /nfs/dbraw/zinc/17/85/61/347178561.db2.gz RBLZLWVUSLVTGT-HNNXBMFYSA-N 1 2 259.349 2.251 20 30 CEEDLO C=C(C)C[C@H](NCc1c[nH+]c2ccc(C)cn12)C(=O)OC ZINC000602735474 347178699 /nfs/dbraw/zinc/17/86/99/347178699.db2.gz XTAWNBUXKHROOO-AWEZNQCLSA-N 1 2 287.363 2.240 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602826022 347214938 /nfs/dbraw/zinc/21/49/38/347214938.db2.gz IOHUNPGLPWVQKT-CYBMUJFWSA-N 1 2 269.385 2.241 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602826022 347214941 /nfs/dbraw/zinc/21/49/41/347214941.db2.gz IOHUNPGLPWVQKT-CYBMUJFWSA-N 1 2 269.385 2.241 20 30 CEEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849958 347224188 /nfs/dbraw/zinc/22/41/88/347224188.db2.gz SDXLJGMDEBOWCJ-UTUOFQBUSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849958 347224191 /nfs/dbraw/zinc/22/41/91/347224191.db2.gz SDXLJGMDEBOWCJ-UTUOFQBUSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@H]1C[NH+](Cc2cc(F)cc(F)c2)C[C@H](C)N1CC#N ZINC000602852245 347225372 /nfs/dbraw/zinc/22/53/72/347225372.db2.gz AHNJTMKXQCAXJJ-RYUDHWBXSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000602860707 347228222 /nfs/dbraw/zinc/22/82/22/347228222.db2.gz FMNJRJAZUDDPAL-ZDUSSCGKSA-N 1 2 271.364 2.074 20 30 CEEDLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000602868560 347231335 /nfs/dbraw/zinc/23/13/35/347231335.db2.gz JGUYBKFNCWQOHJ-RYUDHWBXSA-N 1 2 275.352 2.304 20 30 CEEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602869239 347232088 /nfs/dbraw/zinc/23/20/88/347232088.db2.gz MZSQJYIUDILBHM-NWDGAFQWSA-N 1 2 275.352 2.222 20 30 CEEDLO Cn1ccnc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602901198 347241621 /nfs/dbraw/zinc/24/16/21/347241621.db2.gz RCZCPJXRUJHUDL-UHFFFAOYSA-N 1 2 295.390 2.368 20 30 CEEDLO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000602902670 347242661 /nfs/dbraw/zinc/24/26/61/347242661.db2.gz KSPNAZLZDOOZST-JKIFEVAISA-N 1 2 285.391 2.488 20 30 CEEDLO C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000602902670 347242664 /nfs/dbraw/zinc/24/26/64/347242664.db2.gz KSPNAZLZDOOZST-JKIFEVAISA-N 1 2 285.391 2.488 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602978428 347263160 /nfs/dbraw/zinc/26/31/60/347263160.db2.gz QRDJKONVXFKQNW-GJZGRUSLSA-N 1 2 271.364 2.170 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602978428 347263162 /nfs/dbraw/zinc/26/31/62/347263162.db2.gz QRDJKONVXFKQNW-GJZGRUSLSA-N 1 2 271.364 2.170 20 30 CEEDLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000603661694 347382996 /nfs/dbraw/zinc/38/29/96/347382996.db2.gz IHECDOXKLHTOAS-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000603661694 347382998 /nfs/dbraw/zinc/38/29/98/347382998.db2.gz IHECDOXKLHTOAS-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO C=CCOCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608133656 347570088 /nfs/dbraw/zinc/57/00/88/347570088.db2.gz MNVMTMFBOYQNOA-UHFFFAOYSA-N 1 2 259.309 2.256 20 30 CEEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000608800168 347619167 /nfs/dbraw/zinc/61/91/67/347619167.db2.gz HCUOXACXNRPVEE-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000608800168 347619170 /nfs/dbraw/zinc/61/91/70/347619170.db2.gz HCUOXACXNRPVEE-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO COc1ccc2[nH+]c(NC3CCN(CC#N)CC3)ccc2c1 ZINC000609334125 347635126 /nfs/dbraw/zinc/63/51/26/347635126.db2.gz LNWBUMRJJWCIAJ-UHFFFAOYSA-N 1 2 296.374 2.065 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CCn1ccccc1=O ZINC000610392367 347677929 /nfs/dbraw/zinc/67/79/29/347677929.db2.gz BWHJLODOMZWBAH-UHFFFAOYSA-N 1 2 261.369 2.110 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CCn1ccccc1=O ZINC000610392367 347677933 /nfs/dbraw/zinc/67/79/33/347677933.db2.gz BWHJLODOMZWBAH-UHFFFAOYSA-N 1 2 261.369 2.110 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000610542956 347691097 /nfs/dbraw/zinc/69/10/97/347691097.db2.gz QELCJNDPPAMSJU-ZBFHGGJFSA-N 1 2 272.396 2.308 20 30 CEEDLO CCc1noc(C)c1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610710259 347705309 /nfs/dbraw/zinc/70/53/09/347705309.db2.gz HUYMEMHPGKKFIQ-MRXNPFEDSA-N 1 2 290.411 2.211 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610335232 347673449 /nfs/dbraw/zinc/67/34/49/347673449.db2.gz BGBZOIOIFOARJE-STQMWFEESA-N 1 2 297.362 2.204 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1ccc(N(C)C)nc1)C1CC1 ZINC000611276136 347762161 /nfs/dbraw/zinc/76/21/61/347762161.db2.gz XGKDCEDVMRLAGS-GFCCVEGCSA-N 1 2 258.369 2.272 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(N(C)C)nc1)C1CC1 ZINC000611276136 347762163 /nfs/dbraw/zinc/76/21/63/347762163.db2.gz XGKDCEDVMRLAGS-GFCCVEGCSA-N 1 2 258.369 2.272 20 30 CEEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccnc(C#N)c1 ZINC000610994728 347730110 /nfs/dbraw/zinc/73/01/10/347730110.db2.gz OUVHKKDPNKCTPI-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccnc(C#N)c1 ZINC000610994728 347730112 /nfs/dbraw/zinc/73/01/12/347730112.db2.gz OUVHKKDPNKCTPI-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccnc(C#N)c1 ZINC000610995165 347730332 /nfs/dbraw/zinc/73/03/32/347730332.db2.gz QFOXIFMIHUIQPT-CYBMUJFWSA-N 1 2 294.358 2.002 20 30 CEEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccnc(C#N)c1 ZINC000610995165 347730333 /nfs/dbraw/zinc/73/03/33/347730333.db2.gz QFOXIFMIHUIQPT-CYBMUJFWSA-N 1 2 294.358 2.002 20 30 CEEDLO C[C@H](C#N)C[N@H+](C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000611091229 347738566 /nfs/dbraw/zinc/73/85/66/347738566.db2.gz FHXINFKRHOIPMK-TZMCWYRMSA-N 1 2 272.348 2.450 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000611091229 347738567 /nfs/dbraw/zinc/73/85/67/347738567.db2.gz FHXINFKRHOIPMK-TZMCWYRMSA-N 1 2 272.348 2.450 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171094 347747324 /nfs/dbraw/zinc/74/73/24/347747324.db2.gz RWNIOLZRHXPRKB-ZDUSSCGKSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CC[C@H]1CCS(=O)(=O)C1 ZINC000611171094 347747325 /nfs/dbraw/zinc/74/73/25/347747325.db2.gz RWNIOLZRHXPRKB-ZDUSSCGKSA-N 1 2 286.441 2.073 20 30 CEEDLO COc1ccc(C[NH+]2CC(C(F)F)C2)cc1C#N ZINC000611237065 347755909 /nfs/dbraw/zinc/75/59/09/347755909.db2.gz JVCCGQXPERHHLE-UHFFFAOYSA-N 1 2 252.264 2.264 20 30 CEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC=CCC3)o2)c1 ZINC000611517427 347789232 /nfs/dbraw/zinc/78/92/32/347789232.db2.gz AUNDTNBYLBGFTA-UHFFFAOYSA-N 1 2 266.304 2.370 20 30 CEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC=CCC3)o2)c1 ZINC000611517427 347789234 /nfs/dbraw/zinc/78/92/34/347789234.db2.gz AUNDTNBYLBGFTA-UHFFFAOYSA-N 1 2 266.304 2.370 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162680 347851790 /nfs/dbraw/zinc/85/17/90/347851790.db2.gz LURSMUJXYNZVRG-FMKPAKJESA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162680 347851791 /nfs/dbraw/zinc/85/17/91/347851791.db2.gz LURSMUJXYNZVRG-FMKPAKJESA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000612164684 347852411 /nfs/dbraw/zinc/85/24/11/347852411.db2.gz DVLSSSGCFXLOJV-CZUORRHYSA-N 1 2 272.348 2.452 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000612164684 347852413 /nfs/dbraw/zinc/85/24/13/347852413.db2.gz DVLSSSGCFXLOJV-CZUORRHYSA-N 1 2 272.348 2.452 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc12 ZINC000612166610 347853044 /nfs/dbraw/zinc/85/30/44/347853044.db2.gz DDDPOLSXLLGEST-INIZCTEOSA-N 1 2 283.379 2.402 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc12 ZINC000612166610 347853046 /nfs/dbraw/zinc/85/30/46/347853046.db2.gz DDDPOLSXLLGEST-INIZCTEOSA-N 1 2 283.379 2.402 20 30 CEEDLO CC[N@@H+](Cc1ccccc1C(=O)OC)C[C@H](C)C#N ZINC000130221601 365934910 /nfs/dbraw/zinc/93/49/10/365934910.db2.gz LCXWLWRJBNQPNS-GFCCVEGCSA-N 1 2 260.337 2.455 20 30 CEEDLO CC[N@H+](Cc1ccccc1C(=O)OC)C[C@H](C)C#N ZINC000130221601 365934912 /nfs/dbraw/zinc/93/49/12/365934912.db2.gz LCXWLWRJBNQPNS-GFCCVEGCSA-N 1 2 260.337 2.455 20 30 CEEDLO N#CC1(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CCCC1 ZINC000130361860 365948807 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C=CCC1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CCCC1 ZINC000617719587 348772490 /nfs/dbraw/zinc/77/24/90/348772490.db2.gz PCDHVIFEWBBCFY-GJZGRUSLSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000617778395 348788706 /nfs/dbraw/zinc/78/87/06/348788706.db2.gz FPMKNTYTVAYBOZ-KBPBESRZSA-N 1 2 273.380 2.260 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000339578594 215252392 /nfs/dbraw/zinc/25/23/92/215252392.db2.gz PUSPPDOCQXLRBV-UHFFFAOYSA-N 1 2 296.330 2.280 20 30 CEEDLO C=C[C@@H]([NH2+]CCc1c[nH]c2c1cccc2C)C(=O)OC ZINC000619702223 349222364 /nfs/dbraw/zinc/22/23/64/349222364.db2.gz KAGUJHPLALQXCY-CQSZACIVSA-N 1 2 272.348 2.336 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCCC(C)C)CC1 ZINC000619716246 349226252 /nfs/dbraw/zinc/22/62/52/349226252.db2.gz CKRZLSNCLISIQM-AWEZNQCLSA-N 1 2 269.385 2.241 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000619718816 349228035 /nfs/dbraw/zinc/22/80/35/349228035.db2.gz 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368597303 /nfs/dbraw/zinc/59/73/03/368597303.db2.gz NQMPNKHFKDVFEF-SNVBAGLBSA-N 1 2 290.367 2.008 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184430130 368695345 /nfs/dbraw/zinc/69/53/45/368695345.db2.gz PRSOEKTWARWPOH-NSHDSACASA-N 1 2 267.398 2.218 20 30 CEEDLO CC#CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000185166695 368758624 /nfs/dbraw/zinc/75/86/24/368758624.db2.gz SNPUDKJHQCYFPK-UHFFFAOYSA-N 1 2 268.320 2.399 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185933716 368889781 /nfs/dbraw/zinc/88/97/81/368889781.db2.gz MBLUJPJYGYKSBZ-ZIAGYGMSSA-N 1 2 273.380 2.379 20 30 CEEDLO CC[C@H](C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)C(=O)OC ZINC000347992494 368848862 /nfs/dbraw/zinc/84/88/62/368848862.db2.gz BELMCMQPVGXFRK-SWLSCSKDSA-N 1 2 290.363 2.114 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)cc1C ZINC000348313471 368997036 /nfs/dbraw/zinc/99/70/36/368997036.db2.gz ACIAEMVTUYYOOQ-UHFFFAOYSA-N 1 2 281.315 2.200 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000187048419 369091940 /nfs/dbraw/zinc/09/19/40/369091940.db2.gz IANSTTILROMKEY-QGZVFWFLSA-N 1 2 298.386 2.107 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000187048419 369091944 /nfs/dbraw/zinc/09/19/44/369091944.db2.gz IANSTTILROMKEY-QGZVFWFLSA-N 1 2 298.386 2.107 20 30 CEEDLO N#Cc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)o1 ZINC000350527581 369542734 /nfs/dbraw/zinc/54/27/34/369542734.db2.gz OHBCLDSMYSWJIA-UHFFFAOYSA-N 1 2 291.270 2.440 20 30 CEEDLO C=CCCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636171211 369544354 /nfs/dbraw/zinc/54/43/54/369544354.db2.gz ZQISJAUUOSOPGK-VIFPVBQESA-N 1 2 261.247 2.069 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](C)C#N ZINC000190650820 369641796 /nfs/dbraw/zinc/64/17/96/369641796.db2.gz KNMBFJFESMFBFO-CYBMUJFWSA-N 1 2 291.399 2.027 20 30 CEEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000191811224 369744327 /nfs/dbraw/zinc/74/43/27/369744327.db2.gz MCEZWXATLUPAFC-NHYWBVRUSA-N 1 2 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C#CC[N@@H+](C)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000192238107 369783899 /nfs/dbraw/zinc/78/38/99/369783899.db2.gz AMYPKQNCKFPMGA-OAHLLOKOSA-N 1 2 258.365 2.161 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000192238107 369783903 /nfs/dbraw/zinc/78/39/03/369783903.db2.gz AMYPKQNCKFPMGA-OAHLLOKOSA-N 1 2 258.365 2.161 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000352839148 369906353 /nfs/dbraw/zinc/90/63/53/369906353.db2.gz ICGIECAZUYRRMK-UHFFFAOYSA-N 1 2 273.317 2.033 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000194286873 370021632 /nfs/dbraw/zinc/02/16/32/370021632.db2.gz HQZVFJKBQFQYTG-CYBMUJFWSA-N 1 2 257.341 2.007 20 30 CEEDLO CC#CCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000354049322 370195391 /nfs/dbraw/zinc/19/53/91/370195391.db2.gz UBOCGGALFAEJMI-UHFFFAOYSA-N 1 2 266.348 2.348 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639745047 371531984 /nfs/dbraw/zinc/53/19/84/371531984.db2.gz VSTUJUBYQQDHLJ-OWCLPIDISA-N 1 2 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/nfs/dbraw/zinc/62/19/16/373621916.db2.gz SYJCLEDNEKCADZ-UHFFFAOYSA-N 1 2 253.309 2.060 20 30 CEEDLO COCC#CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000644783706 373682277 /nfs/dbraw/zinc/68/22/77/373682277.db2.gz YNGKTEVTBFPMTM-UHFFFAOYSA-N 1 2 276.258 2.168 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nnc(C)c(C)c1C#N)CCC2 ZINC000371252172 373822930 /nfs/dbraw/zinc/82/29/30/373822930.db2.gz AWJQFJWVQAIXDZ-CYBMUJFWSA-N 1 2 296.378 2.460 20 30 CEEDLO C=CCCCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000274520018 373951239 /nfs/dbraw/zinc/95/12/39/373951239.db2.gz NCUBXVSJBGFBDR-UHFFFAOYSA-N 1 2 275.352 2.109 20 30 CEEDLO CCCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371785780 373977562 /nfs/dbraw/zinc/97/75/62/373977562.db2.gz RKZCYBNHDOEZBR-CVEARBPZSA-N 1 2 285.391 2.284 20 30 CEEDLO CCCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371785780 373977569 /nfs/dbraw/zinc/97/75/69/373977569.db2.gz RKZCYBNHDOEZBR-CVEARBPZSA-N 1 2 285.391 2.284 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274817139 374060944 /nfs/dbraw/zinc/06/09/44/374060944.db2.gz XBNMZXSBYGVXKN-ZDUSSCGKSA-N 1 2 250.729 2.432 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274817139 374060950 /nfs/dbraw/zinc/06/09/50/374060950.db2.gz XBNMZXSBYGVXKN-ZDUSSCGKSA-N 1 2 250.729 2.432 20 30 CEEDLO CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000276696004 374268297 /nfs/dbraw/zinc/26/82/97/374268297.db2.gz YAJTZLSKZNXACS-CYBMUJFWSA-N 1 2 268.320 2.408 20 30 CEEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)[nH]1 ZINC000277420632 374511608 /nfs/dbraw/zinc/51/16/08/374511608.db2.gz MPISETZKNBABRH-QWRGUYRKSA-N 1 2 286.383 2.379 20 30 CEEDLO C=CCSCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277419316 374512800 /nfs/dbraw/zinc/51/28/00/374512800.db2.gz LAWNEDQCQGQEKI-UHFFFAOYSA-N 1 2 296.465 2.361 20 30 CEEDLO C=CCSCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277419316 374512808 /nfs/dbraw/zinc/51/28/08/374512808.db2.gz LAWNEDQCQGQEKI-UHFFFAOYSA-N 1 2 296.465 2.361 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)CCc1ccc(C#N)cc1)CC2 ZINC000374659352 374624376 /nfs/dbraw/zinc/62/43/76/374624376.db2.gz HZUSXQFOANQQNJ-UHFFFAOYSA-N 1 2 294.358 2.038 20 30 CEEDLO C=CC[C@@H]1N(C(=O)Cn2cc[nH+]c2)CCCC1(C)C ZINC000277912483 374681699 /nfs/dbraw/zinc/68/16/99/374681699.db2.gz GVYXUFUYNCFESK-ZDUSSCGKSA-N 1 2 261.369 2.476 20 30 CEEDLO C#CCCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277947357 374691880 /nfs/dbraw/zinc/69/18/80/374691880.db2.gz XJSUFELSCMAKOL-UHFFFAOYSA-N 1 2 276.409 2.245 20 30 CEEDLO C#CCCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277947357 374691887 /nfs/dbraw/zinc/69/18/87/374691887.db2.gz XJSUFELSCMAKOL-UHFFFAOYSA-N 1 2 276.409 2.245 20 30 CEEDLO CCOC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000377200665 374813221 /nfs/dbraw/zinc/81/32/21/374813221.db2.gz ZGRUBXIBLDUGTE-OAHLLOKOSA-N 1 2 289.379 2.204 20 30 CEEDLO CCOC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000377200665 374813224 /nfs/dbraw/zinc/81/32/24/374813224.db2.gz ZGRUBXIBLDUGTE-OAHLLOKOSA-N 1 2 289.379 2.204 20 30 CEEDLO C=CCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000279462698 374883588 /nfs/dbraw/zinc/88/35/88/374883588.db2.gz MVBCFOOHWXWZPV-ZDUSSCGKSA-N 1 2 276.384 2.063 20 30 CEEDLO C=CCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000279462698 374883590 /nfs/dbraw/zinc/88/35/90/374883590.db2.gz MVBCFOOHWXWZPV-ZDUSSCGKSA-N 1 2 276.384 2.063 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000280769335 375314799 /nfs/dbraw/zinc/31/47/99/375314799.db2.gz VJSMOOXYTUWWCW-OCCSQVGLSA-N 1 2 275.352 2.493 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncnn1CCF ZINC000281606034 375390532 /nfs/dbraw/zinc/39/05/32/375390532.db2.gz IOJZBIFIOLCBDJ-UHFFFAOYSA-N 1 2 278.331 2.071 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1ncnn1CCF ZINC000281606034 375390537 /nfs/dbraw/zinc/39/05/37/375390537.db2.gz IOJZBIFIOLCBDJ-UHFFFAOYSA-N 1 2 278.331 2.071 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)C1=O ZINC000281339680 375372769 /nfs/dbraw/zinc/37/27/69/375372769.db2.gz MJSSDWCJTCVUSH-OAHLLOKOSA-N 1 2 290.794 2.485 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1=O ZINC000281339680 375372777 /nfs/dbraw/zinc/37/27/77/375372777.db2.gz MJSSDWCJTCVUSH-OAHLLOKOSA-N 1 2 290.794 2.485 20 30 CEEDLO C=CC[C@H](CC)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000281465274 375381066 /nfs/dbraw/zinc/38/10/66/375381066.db2.gz UKHKJBYIXXJBAY-KBPBESRZSA-N 1 2 276.384 2.412 20 30 CEEDLO Cc1nsc(N2CC[NH+](Cc3ccccn3)CC2)c1C#N ZINC000283445583 375707886 /nfs/dbraw/zinc/70/78/86/375707886.db2.gz DIASDTAGIILPRT-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO Cc1cccc(SC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414132790 375797246 /nfs/dbraw/zinc/79/72/46/375797246.db2.gz MURJWAVLDWVFAO-ZDUSSCGKSA-N 1 2 264.394 2.294 20 30 CEEDLO Cc1cccc(SC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414132790 375797252 /nfs/dbraw/zinc/79/72/52/375797252.db2.gz MURJWAVLDWVFAO-ZDUSSCGKSA-N 1 2 264.394 2.294 20 30 CEEDLO Cc1cccc(CSC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414141663 375797535 /nfs/dbraw/zinc/79/75/35/375797535.db2.gz JZLGHOZYMKLDSP-HNNXBMFYSA-N 1 2 278.421 2.435 20 30 CEEDLO Cc1cccc(CSC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414141663 375797542 /nfs/dbraw/zinc/79/75/42/375797542.db2.gz JZLGHOZYMKLDSP-HNNXBMFYSA-N 1 2 278.421 2.435 20 30 CEEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccc(C#N)cc1 ZINC000289748943 376479568 /nfs/dbraw/zinc/47/95/68/376479568.db2.gz IAPSFBHHUUGSAT-LBPRGKRZSA-N 1 2 295.346 2.041 20 30 CEEDLO C[C@H](Nc1c(F)cc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000264285477 190101636 /nfs/dbraw/zinc/10/16/36/190101636.db2.gz PPYCPCHARGMYKE-QWRGUYRKSA-N 1 2 295.333 2.358 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000560219217 376723018 /nfs/dbraw/zinc/72/30/18/376723018.db2.gz UIWSSLZHMGQKNW-UHFFFAOYSA-N 1 2 295.346 2.005 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000560219217 376723028 /nfs/dbraw/zinc/72/30/28/376723028.db2.gz UIWSSLZHMGQKNW-UHFFFAOYSA-N 1 2 295.346 2.005 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000264474928 190112290 /nfs/dbraw/zinc/11/22/90/190112290.db2.gz 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376994202 /nfs/dbraw/zinc/99/42/02/376994202.db2.gz BWANPOSJJCXKDK-UHFFFAOYSA-N 1 2 290.411 2.408 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC000562781556 376999238 /nfs/dbraw/zinc/99/92/38/376999238.db2.gz PXFZVNUITMQUKL-MRXNPFEDSA-N 1 2 294.358 2.408 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC000562781556 376999242 /nfs/dbraw/zinc/99/92/42/376999242.db2.gz PXFZVNUITMQUKL-MRXNPFEDSA-N 1 2 294.358 2.408 20 30 CEEDLO CC[C@@H](NC(=O)Nc1cc[nH+]cc1C)C1CCOCC1 ZINC000330593933 377194353 /nfs/dbraw/zinc/19/43/53/377194353.db2.gz SREOMLGEHJRWHI-CYBMUJFWSA-N 1 2 277.368 2.343 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1occc1C ZINC000292427899 377245010 /nfs/dbraw/zinc/24/50/10/377245010.db2.gz VVZKLVJEFNKTGR-UHFFFAOYSA-N 1 2 264.369 2.444 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1occc1C ZINC000292427899 377245013 /nfs/dbraw/zinc/24/50/13/377245013.db2.gz VVZKLVJEFNKTGR-UHFFFAOYSA-N 1 2 264.369 2.444 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000293084163 377421619 /nfs/dbraw/zinc/42/16/19/377421619.db2.gz JWLXMJRWTSWWPS-UHFFFAOYSA-N 1 2 258.365 2.383 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000293084163 377421622 /nfs/dbraw/zinc/42/16/22/377421622.db2.gz JWLXMJRWTSWWPS-UHFFFAOYSA-N 1 2 258.365 2.383 20 30 CEEDLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331587664 377484392 /nfs/dbraw/zinc/48/43/92/377484392.db2.gz MVEDSEYGPYWGTE-QGZVFWFLSA-N 1 2 296.374 2.174 20 30 CEEDLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331587664 377484404 /nfs/dbraw/zinc/48/44/04/377484404.db2.gz MVEDSEYGPYWGTE-QGZVFWFLSA-N 1 2 296.374 2.174 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000293235180 377485007 /nfs/dbraw/zinc/48/50/07/377485007.db2.gz ZMBMJSUIEFPHOS-ZJUUUORDSA-N 1 2 277.755 2.490 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000293235180 377485012 /nfs/dbraw/zinc/48/50/12/377485012.db2.gz ZMBMJSUIEFPHOS-ZJUUUORDSA-N 1 2 277.755 2.490 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000293235168 377485382 /nfs/dbraw/zinc/48/53/82/377485382.db2.gz ZMBMJSUIEFPHOS-NXEZZACHSA-N 1 2 277.755 2.490 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000293235168 377485389 /nfs/dbraw/zinc/48/53/89/377485389.db2.gz ZMBMJSUIEFPHOS-NXEZZACHSA-N 1 2 277.755 2.490 20 30 CEEDLO C=C[C@H](C)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000429103299 377508540 /nfs/dbraw/zinc/50/85/40/377508540.db2.gz MUEKHZJIRLRPGM-ZDUSSCGKSA-N 1 2 278.400 2.442 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCc2sccc21 ZINC000565051387 377544054 /nfs/dbraw/zinc/54/40/54/377544054.db2.gz MRQWUSCYLOPGGO-WFASDCNBSA-N 1 2 291.420 2.128 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000565051343 377544300 /nfs/dbraw/zinc/54/43/00/377544300.db2.gz LFBMDOAFRQYLIH-QGZVFWFLSA-N 1 2 298.390 2.061 20 30 CEEDLO C=CCCCN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000265589034 190192259 /nfs/dbraw/zinc/19/22/59/190192259.db2.gz SVVGDBHOJYGFCA-UHFFFAOYSA-N 1 2 272.352 2.442 20 30 CEEDLO CC[C@@H]1CCCC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309693 377753825 /nfs/dbraw/zinc/75/38/25/377753825.db2.gz RJEMDQNWFFUGEU-NFAWXSAZSA-N 1 2 265.401 2.163 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CCCC[C@H]1O ZINC000566302365 377754414 /nfs/dbraw/zinc/75/44/14/377754414.db2.gz VUORNCUWGPUSTD-GOEBONIOSA-N 1 2 273.380 2.348 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CCCC[C@H]1O ZINC000566302365 377754419 /nfs/dbraw/zinc/75/44/19/377754419.db2.gz VUORNCUWGPUSTD-GOEBONIOSA-N 1 2 273.380 2.348 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000566570231 377763256 /nfs/dbraw/zinc/76/32/56/377763256.db2.gz MPLYJWRJCWIZEN-SECBINFHSA-N 1 2 267.279 2.185 20 30 CEEDLO Cc1c(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cnn1C ZINC000567114037 377804070 /nfs/dbraw/zinc/80/40/70/377804070.db2.gz ACFLQOUPTKIRLS-UHFFFAOYSA-N 1 2 299.334 2.140 20 30 CEEDLO Cc1c(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cnn1C ZINC000567114037 377804074 /nfs/dbraw/zinc/80/40/74/377804074.db2.gz ACFLQOUPTKIRLS-UHFFFAOYSA-N 1 2 299.334 2.140 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433304600 377786627 /nfs/dbraw/zinc/78/66/27/377786627.db2.gz NKQBRLOBPAULPL-ZDUSSCGKSA-N 1 2 273.380 2.173 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433304600 377786637 /nfs/dbraw/zinc/78/66/37/377786637.db2.gz NKQBRLOBPAULPL-ZDUSSCGKSA-N 1 2 273.380 2.173 20 30 CEEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CC(C)(C)C#N ZINC000433313805 377787199 /nfs/dbraw/zinc/78/71/99/377787199.db2.gz RVLYVRZTVHYHAQ-MJBXVCDLSA-N 1 2 279.428 2.361 20 30 CEEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433313805 377787203 /nfs/dbraw/zinc/78/72/03/377787203.db2.gz RVLYVRZTVHYHAQ-MJBXVCDLSA-N 1 2 279.428 2.361 20 30 CEEDLO C[N@H+](CC[S@](=O)c1ccccc1)CC(C)(C)C#N ZINC000433310718 377788023 /nfs/dbraw/zinc/78/80/23/377788023.db2.gz DHCDYSCKGWJRDM-SFHVURJKSA-N 1 2 264.394 2.276 20 30 CEEDLO C[N@@H+](CC[S@](=O)c1ccccc1)CC(C)(C)C#N ZINC000433310718 377788029 /nfs/dbraw/zinc/78/80/29/377788029.db2.gz DHCDYSCKGWJRDM-SFHVURJKSA-N 1 2 264.394 2.276 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)C[C@H]1CCS(=O)(=O)C1 ZINC000434543122 377797212 /nfs/dbraw/zinc/79/72/12/377797212.db2.gz FYLOLLWCTPWNPM-CQSZACIVSA-N 1 2 286.441 2.073 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCS(=O)(=O)C1 ZINC000434543122 377797221 /nfs/dbraw/zinc/79/72/21/377797221.db2.gz FYLOLLWCTPWNPM-CQSZACIVSA-N 1 2 286.441 2.073 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000437895921 377872074 /nfs/dbraw/zinc/87/20/74/377872074.db2.gz MOUNSJGSGXNSEQ-HNNXBMFYSA-N 1 2 287.407 2.411 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000437895921 377872081 /nfs/dbraw/zinc/87/20/81/377872081.db2.gz MOUNSJGSGXNSEQ-HNNXBMFYSA-N 1 2 287.407 2.411 20 30 CEEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000439454937 377926436 /nfs/dbraw/zinc/92/64/36/377926436.db2.gz OTFYCWISGOJJDW-UHFFFAOYSA-N 1 2 279.771 2.297 20 30 CEEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000439454937 377926444 /nfs/dbraw/zinc/92/64/44/377926444.db2.gz OTFYCWISGOJJDW-UHFFFAOYSA-N 1 2 279.771 2.297 20 30 CEEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000294692108 378012418 /nfs/dbraw/zinc/01/24/18/378012418.db2.gz CJBLZNYTXITAII-HNNXBMFYSA-N 1 2 287.363 2.221 20 30 CEEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000294692108 378012426 /nfs/dbraw/zinc/01/24/26/378012426.db2.gz CJBLZNYTXITAII-HNNXBMFYSA-N 1 2 287.363 2.221 20 30 CEEDLO C=CCOCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000294703913 378014523 /nfs/dbraw/zinc/01/45/23/378014523.db2.gz URASNDCYNGQMBI-LLVKDONJSA-N 1 2 270.423 2.436 20 30 CEEDLO C=CCOCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000294703913 378014529 /nfs/dbraw/zinc/01/45/29/378014529.db2.gz URASNDCYNGQMBI-LLVKDONJSA-N 1 2 270.423 2.436 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000442679872 377981451 /nfs/dbraw/zinc/98/14/51/377981451.db2.gz LLJUTDDNFANLQK-SEDUGSJDSA-N 1 2 262.378 2.072 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000442679872 377981453 /nfs/dbraw/zinc/98/14/53/377981453.db2.gz LLJUTDDNFANLQK-SEDUGSJDSA-N 1 2 262.378 2.072 20 30 CEEDLO CSc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000574685803 335039257 /nfs/dbraw/zinc/03/92/57/335039257.db2.gz DZXGKPBWVIAXHY-CYBMUJFWSA-N 1 2 293.436 2.335 20 30 CEEDLO CSc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000574685803 335039259 /nfs/dbraw/zinc/03/92/59/335039259.db2.gz DZXGKPBWVIAXHY-CYBMUJFWSA-N 1 2 293.436 2.335 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1nccnc1OC ZINC000295175470 378046244 /nfs/dbraw/zinc/04/62/44/378046244.db2.gz LZWPQFWRKYNTQJ-UHFFFAOYSA-N 1 2 285.347 2.340 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000448935822 378191733 /nfs/dbraw/zinc/19/17/33/378191733.db2.gz JYHVDUHIGHSLQX-AWEZNQCLSA-N 1 2 282.347 2.141 20 30 CEEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000449525577 378216575 /nfs/dbraw/zinc/21/65/75/378216575.db2.gz BUENVUYXJJXICS-LLVKDONJSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000449525577 378216582 /nfs/dbraw/zinc/21/65/82/378216582.db2.gz BUENVUYXJJXICS-LLVKDONJSA-N 1 2 298.433 2.019 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCC1 ZINC000449831880 378235395 /nfs/dbraw/zinc/23/53/95/378235395.db2.gz YZENMBKAPGQUKD-UHFFFAOYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCC1 ZINC000449831880 378235400 /nfs/dbraw/zinc/23/54/00/378235400.db2.gz YZENMBKAPGQUKD-UHFFFAOYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@H+](Cc1cccs1)C[C@H](C)S(C)(=O)=O ZINC000450220639 378320603 /nfs/dbraw/zinc/32/06/03/378320603.db2.gz JTVIXZVSTGAWTA-NSHDSACASA-N 1 2 273.423 2.169 20 30 CEEDLO C=CC[N@@H+](Cc1cccs1)C[C@H](C)S(C)(=O)=O ZINC000450220639 378320610 /nfs/dbraw/zinc/32/06/10/378320610.db2.gz JTVIXZVSTGAWTA-NSHDSACASA-N 1 2 273.423 2.169 20 30 CEEDLO C[C@]([NH2+]CC1(C#N)CCC1)(C(N)=O)c1cccc(Cl)c1 ZINC000450586385 378487599 /nfs/dbraw/zinc/48/75/99/378487599.db2.gz XZCMEPBMRJMNAJ-CQSZACIVSA-N 1 2 291.782 2.324 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC000450755389 378561976 /nfs/dbraw/zinc/56/19/76/378561976.db2.gz IWGTVDOFSXQKNV-KGLIPLIRSA-N 1 2 259.353 2.419 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000299499880 379022532 /nfs/dbraw/zinc/02/25/32/379022532.db2.gz HSVCYHCKNDGIGD-UHFFFAOYSA-N 1 2 280.331 2.301 20 30 CEEDLO CC(C)c1nc(N2CC(O)(CC#N)C2)cc(C(C)(C)C)[nH+]1 ZINC000302828809 379461015 /nfs/dbraw/zinc/46/10/15/379461015.db2.gz OOKPTWRMALIPRU-UHFFFAOYSA-N 1 2 288.395 2.362 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N(CC#N)C3CC3)cc2n1C ZINC000526988451 379717860 /nfs/dbraw/zinc/71/78/60/379717860.db2.gz KCQUIPCECQRTQI-UHFFFAOYSA-N 1 2 268.320 2.010 20 30 CEEDLO C=CC[N@@H+](Cc1cnnn1CC)Cc1cccc(C#N)c1 ZINC000459317216 380061239 /nfs/dbraw/zinc/06/12/39/380061239.db2.gz BKWPGQRHLDMVLL-UHFFFAOYSA-N 1 2 281.363 2.358 20 30 CEEDLO C=CC[N@H+](Cc1cnnn1CC)Cc1cccc(C#N)c1 ZINC000459317216 380061247 /nfs/dbraw/zinc/06/12/47/380061247.db2.gz BKWPGQRHLDMVLL-UHFFFAOYSA-N 1 2 281.363 2.358 20 30 CEEDLO CC(C)(O)C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459436507 380062060 /nfs/dbraw/zinc/06/20/60/380062060.db2.gz WYDGXLGEDBNPBU-UHFFFAOYSA-N 1 2 289.335 2.202 20 30 CEEDLO CC(C)(O)C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459436507 380062065 /nfs/dbraw/zinc/06/20/65/380062065.db2.gz WYDGXLGEDBNPBU-UHFFFAOYSA-N 1 2 289.335 2.202 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528905931 380132164 /nfs/dbraw/zinc/13/21/64/380132164.db2.gz JUHJXLMGOUYGEJ-LBPRGKRZSA-N 1 2 274.368 2.066 20 30 CEEDLO CC[N@@H+](CCC#N)CCCn1c2ccccc2[nH]c1=O ZINC000532565353 380216433 /nfs/dbraw/zinc/21/64/33/380216433.db2.gz FXCBVNGVZYRANZ-UHFFFAOYSA-N 1 2 272.352 2.368 20 30 CEEDLO CC[N@H+](CCC#N)CCCn1c2ccccc2[nH]c1=O ZINC000532565353 380216443 /nfs/dbraw/zinc/21/64/43/380216443.db2.gz FXCBVNGVZYRANZ-UHFFFAOYSA-N 1 2 272.352 2.368 20 30 CEEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)o1 ZINC000541688603 380277301 /nfs/dbraw/zinc/27/73/01/380277301.db2.gz SQEGFXXNYGIJIA-JTQLQIEISA-N 1 2 259.284 2.219 20 30 CEEDLO N#CCC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000541935095 380289680 /nfs/dbraw/zinc/28/96/80/380289680.db2.gz FLKGSOSAEBTXDC-UHFFFAOYSA-N 1 2 267.336 2.172 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000491373483 380312857 /nfs/dbraw/zinc/31/28/57/380312857.db2.gz NDCUNWULDMCSDD-SNVBAGLBSA-N 1 2 275.739 2.104 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000491373483 380312860 /nfs/dbraw/zinc/31/28/60/380312860.db2.gz NDCUNWULDMCSDD-SNVBAGLBSA-N 1 2 275.739 2.104 20 30 CEEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)c(Br)c1O ZINC000544926748 380367280 /nfs/dbraw/zinc/36/72/80/380367280.db2.gz JGJKAHWIBMLKJZ-QMMMGPOBSA-N 1 2 299.168 2.413 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C#N)cc1)CCC2 ZINC000334425339 380393143 /nfs/dbraw/zinc/39/31/43/380393143.db2.gz UOUOEUWLOCCFIR-HNNXBMFYSA-N 1 2 294.358 2.371 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492791091 380688575 /nfs/dbraw/zinc/68/85/75/380688575.db2.gz BCCPEVORUSPZDE-BOLDSZDNSA-N 1 2 279.343 2.174 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000554869747 380798878 /nfs/dbraw/zinc/79/88/78/380798878.db2.gz ISOGIPMCPVZRCC-KGLIPLIRSA-N 1 2 269.385 2.025 20 30 CEEDLO N#CCC1(CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000554985541 380805811 /nfs/dbraw/zinc/80/58/11/380805811.db2.gz LVBHLCDVRVZCBB-UHFFFAOYSA-N 1 2 269.308 2.150 20 30 CEEDLO C=CC[C@H](CO)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000495071121 381166698 /nfs/dbraw/zinc/16/66/98/381166698.db2.gz WUOGLZIMIHCFBF-GXTWGEPZSA-N 1 2 278.400 2.200 20 30 CEEDLO N#CC1(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)CC1 ZINC000496039338 381194129 /nfs/dbraw/zinc/19/41/29/381194129.db2.gz CKHNWVVFAHLHGV-CQSZACIVSA-N 1 2 291.395 2.377 20 30 CEEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)CC1 ZINC000496039338 381194142 /nfs/dbraw/zinc/19/41/42/381194142.db2.gz CKHNWVVFAHLHGV-CQSZACIVSA-N 1 2 291.395 2.377 20 30 CEEDLO N#CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496669356 381223105 /nfs/dbraw/zinc/22/31/05/381223105.db2.gz XIZORIGBZOMDCI-CQSZACIVSA-N 1 2 279.384 2.423 20 30 CEEDLO N#CCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496669356 381223111 /nfs/dbraw/zinc/22/31/11/381223111.db2.gz XIZORIGBZOMDCI-CQSZACIVSA-N 1 2 279.384 2.423 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+][C@H](CC)CC#N)o1 ZINC000184087034 262007962 /nfs/dbraw/zinc/00/79/62/262007962.db2.gz JNOVZCFMFYMHFT-SNVBAGLBSA-N 1 2 250.298 2.238 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000491785167 262045370 /nfs/dbraw/zinc/04/53/70/262045370.db2.gz RXSFDWXBZPYGIX-SNVBAGLBSA-N 1 2 278.308 2.066 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000335229408 207979280 /nfs/dbraw/zinc/97/92/80/207979280.db2.gz XLVYERHMMJEYLH-UHFFFAOYSA-N 1 2 277.327 2.354 20 30 CEEDLO C=CCOCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000389883145 542373533 /nfs/dbraw/zinc/37/35/33/542373533.db2.gz GZJKJSFPQIXSLU-UHFFFAOYSA-N 1 2 295.346 2.430 20 30 CEEDLO C[C@@H](C#N)CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344368067 533138289 /nfs/dbraw/zinc/13/82/89/533138289.db2.gz CMYWFUBEJBIZOW-LBPRGKRZSA-N 1 2 268.320 2.104 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000353446669 533146940 /nfs/dbraw/zinc/14/69/40/533146940.db2.gz JVWSHFBROJBPIM-UONOGXRCSA-N 1 2 273.380 2.125 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000353446669 533146942 /nfs/dbraw/zinc/14/69/42/533146942.db2.gz JVWSHFBROJBPIM-UONOGXRCSA-N 1 2 273.380 2.125 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1ncc(Cl)n1C ZINC000263761244 533196484 /nfs/dbraw/zinc/19/64/84/533196484.db2.gz AVNCBDNMDYDFEO-UHFFFAOYSA-N 1 2 289.766 2.375 20 30 CEEDLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000414479994 533256277 /nfs/dbraw/zinc/25/62/77/533256277.db2.gz AJDJQGQNEKSNQZ-HNNXBMFYSA-N 1 2 272.348 2.298 20 30 CEEDLO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187916116 260065894 /nfs/dbraw/zinc/06/58/94/260065894.db2.gz YHQIVVJRJDKGKI-IUCAKERBSA-N 1 2 257.280 2.258 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000192222972 130397397 /nfs/dbraw/zinc/39/73/97/130397397.db2.gz MGNJINVKUPIFBZ-UHFFFAOYSA-N 1 2 295.180 2.261 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000192222972 130397400 /nfs/dbraw/zinc/39/74/00/130397400.db2.gz MGNJINVKUPIFBZ-UHFFFAOYSA-N 1 2 295.180 2.261 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(Br)cc1 ZINC000263886187 131353386 /nfs/dbraw/zinc/35/33/86/131353386.db2.gz PEMGYBQFAFIGRB-UHFFFAOYSA-N 1 2 295.180 2.343 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(Br)cc1 ZINC000263886187 131353388 /nfs/dbraw/zinc/35/33/88/131353388.db2.gz PEMGYBQFAFIGRB-UHFFFAOYSA-N 1 2 295.180 2.343 20 30 CEEDLO C[C@@H](C#N)S(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000088485835 135054831 /nfs/dbraw/zinc/05/48/31/135054831.db2.gz FYSQFPZJVATQOD-LBPRGKRZSA-N 1 2 293.392 2.331 20 30 CEEDLO CO[C@@H]1CCCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328983569 394558617 /nfs/dbraw/zinc/55/86/17/394558617.db2.gz FQZAEIVIGWXKGQ-ZIAGYGMSSA-N 1 2 296.411 2.013 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000356432915 394577428 /nfs/dbraw/zinc/57/74/28/394577428.db2.gz UVFRQJNOWKYEDI-UHFFFAOYSA-N 1 2 263.366 2.017 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000356432915 394577433 /nfs/dbraw/zinc/57/74/33/394577433.db2.gz UVFRQJNOWKYEDI-UHFFFAOYSA-N 1 2 263.366 2.017 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329908300 394594133 /nfs/dbraw/zinc/59/41/33/394594133.db2.gz UGTHRAJMPHFIIO-ZIAGYGMSSA-N 1 2 296.411 2.035 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329908300 394594134 /nfs/dbraw/zinc/59/41/34/394594134.db2.gz UGTHRAJMPHFIIO-ZIAGYGMSSA-N 1 2 296.411 2.035 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1C1CCC1 ZINC000329708521 394580796 /nfs/dbraw/zinc/58/07/96/394580796.db2.gz LCMXGDPTHADIPR-IUODEOHRSA-N 1 2 288.395 2.446 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1C1CCC1 ZINC000329708521 394580797 /nfs/dbraw/zinc/58/07/97/394580797.db2.gz LCMXGDPTHADIPR-IUODEOHRSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413316583 394524580 /nfs/dbraw/zinc/52/45/80/394524580.db2.gz PVSAWTOLEAGHEH-OLZOCXBDSA-N 1 2 290.411 2.308 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413316583 394524584 /nfs/dbraw/zinc/52/45/84/394524584.db2.gz PVSAWTOLEAGHEH-OLZOCXBDSA-N 1 2 290.411 2.308 20 30 CEEDLO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cnn1 ZINC000329868271 394590547 /nfs/dbraw/zinc/59/05/47/394590547.db2.gz XFTXBTPYFATKCA-UHFFFAOYSA-N 1 2 297.362 2.154 20 30 CEEDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000329877351 394591091 /nfs/dbraw/zinc/59/10/91/394591091.db2.gz JEZMNIMJSCEYOK-NTZNESFSSA-N 1 2 276.384 2.096 20 30 CEEDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000329877351 394591095 /nfs/dbraw/zinc/59/10/95/394591095.db2.gz JEZMNIMJSCEYOK-NTZNESFSSA-N 1 2 276.384 2.096 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329871441 394591411 /nfs/dbraw/zinc/59/14/11/394591411.db2.gz CKBKOBPWBNKOTR-KBUPBQIOSA-N 1 2 296.411 2.033 20 30 CEEDLO N#CC1(C(=O)Nc2cccc3[nH+]ccn32)CCCC1 ZINC000266170063 394659693 /nfs/dbraw/zinc/65/96/93/394659693.db2.gz SWUFOOXSMICQGW-UHFFFAOYSA-N 1 2 254.293 2.357 20 30 CEEDLO C[NH+](C)[C@@H](CNC(=O)C(C)(C)C#N)c1c(F)cccc1F ZINC000265334017 394647564 /nfs/dbraw/zinc/64/75/64/394647564.db2.gz TWOZPOPIIKMRGI-LBPRGKRZSA-N 1 2 295.333 2.233 20 30 CEEDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000268230169 394691571 /nfs/dbraw/zinc/69/15/71/394691571.db2.gz OKQTXLPQJDVKSO-UHFFFAOYSA-N 1 2 294.420 2.203 20 30 CEEDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000268230169 394691575 /nfs/dbraw/zinc/69/15/75/394691575.db2.gz OKQTXLPQJDVKSO-UHFFFAOYSA-N 1 2 294.420 2.203 20 30 CEEDLO N#Cc1cnc(NCc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000106464237 394724565 /nfs/dbraw/zinc/72/45/65/394724565.db2.gz LAERNSHELGCAQP-UHFFFAOYSA-N 1 2 290.330 2.205 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000121533338 394799496 /nfs/dbraw/zinc/79/94/96/394799496.db2.gz WIMIBHFNCHWUFW-UHFFFAOYSA-N 1 2 296.392 2.208 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000121533338 394799499 /nfs/dbraw/zinc/79/94/99/394799499.db2.gz WIMIBHFNCHWUFW-UHFFFAOYSA-N 1 2 296.392 2.208 20 30 CEEDLO Cc1ccc2[nH+]c(CN(CCC#N)CCC#N)cn2c1 ZINC000121968731 394807432 /nfs/dbraw/zinc/80/74/32/394807432.db2.gz LQWSFPSXZICXAM-UHFFFAOYSA-N 1 2 267.336 2.272 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nc1C(F)F)C[C@@H](C)C#N ZINC000361181726 394818952 /nfs/dbraw/zinc/81/89/52/394818952.db2.gz QNIOVCXMSZQJES-VIFPVBQESA-N 1 2 256.300 2.339 20 30 CEEDLO CC[N@H+](Cc1cn(C)nc1C(F)F)C[C@@H](C)C#N ZINC000361181726 394818957 /nfs/dbraw/zinc/81/89/57/394818957.db2.gz QNIOVCXMSZQJES-VIFPVBQESA-N 1 2 256.300 2.339 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1F ZINC000336567669 394865862 /nfs/dbraw/zinc/86/58/62/394865862.db2.gz VDAYILIOMMJWEJ-GJZGRUSLSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1F ZINC000336567669 394865866 /nfs/dbraw/zinc/86/58/66/394865866.db2.gz VDAYILIOMMJWEJ-GJZGRUSLSA-N 1 2 260.312 2.451 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1nc2cccnc2s1 ZINC000361998286 394841519 /nfs/dbraw/zinc/84/15/19/394841519.db2.gz BYIKWXYVJWXUDQ-UHFFFAOYSA-N 1 2 263.366 2.326 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1nc2cccnc2s1 ZINC000361998286 394841522 /nfs/dbraw/zinc/84/15/22/394841522.db2.gz BYIKWXYVJWXUDQ-UHFFFAOYSA-N 1 2 263.366 2.326 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1)C1CC1 ZINC000125590350 394844092 /nfs/dbraw/zinc/84/40/92/394844092.db2.gz NEDXOYVITHDHBK-WBVHZDCISA-N 1 2 298.390 2.027 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1)C1CC1 ZINC000125590350 394844095 /nfs/dbraw/zinc/84/40/95/394844095.db2.gz NEDXOYVITHDHBK-WBVHZDCISA-N 1 2 298.390 2.027 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000362371911 394857229 /nfs/dbraw/zinc/85/72/29/394857229.db2.gz VTJDEUMONHQMKZ-AWEZNQCLSA-N 1 2 298.390 2.500 20 30 CEEDLO C#C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C(C)C ZINC000282145257 394910700 /nfs/dbraw/zinc/91/07/00/394910700.db2.gz HJAYDPPFKWDWND-HNNXBMFYSA-N 1 2 296.374 2.329 20 30 CEEDLO C=C(Cl)C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282534829 394920953 /nfs/dbraw/zinc/92/09/53/394920953.db2.gz QXKKNXBXIYAWRC-UHFFFAOYSA-N 1 2 272.801 2.439 20 30 CEEDLO C=C(Cl)C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282534829 394920957 /nfs/dbraw/zinc/92/09/57/394920957.db2.gz QXKKNXBXIYAWRC-UHFFFAOYSA-N 1 2 272.801 2.439 20 30 CEEDLO C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)[NH+]1CCSCC1 ZINC000132601197 394933677 /nfs/dbraw/zinc/93/36/77/394933677.db2.gz LUNFXJWJUUUUCN-GXTWGEPZSA-N 1 2 295.452 2.012 20 30 CEEDLO C=CC[NH+](CC=C)Cc1cn(-c2ccccc2)nn1 ZINC000338987423 394935285 /nfs/dbraw/zinc/93/52/85/394935285.db2.gz IGXBIKJSOHJCQA-UHFFFAOYSA-N 1 2 254.337 2.441 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1cncc(Br)c1 ZINC000132875392 394939531 /nfs/dbraw/zinc/93/95/31/394939531.db2.gz FFDOPOAUDLJMHY-SECBINFHSA-N 1 2 268.158 2.436 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cncc(Br)c1 ZINC000132875392 394939536 /nfs/dbraw/zinc/93/95/36/394939536.db2.gz FFDOPOAUDLJMHY-SECBINFHSA-N 1 2 268.158 2.436 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000155212749 395027012 /nfs/dbraw/zinc/02/70/12/395027012.db2.gz KCGKPDOJAZCTSM-UKRRQHHQSA-N 1 2 271.364 2.273 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000155212749 395027014 /nfs/dbraw/zinc/02/70/14/395027014.db2.gz KCGKPDOJAZCTSM-UKRRQHHQSA-N 1 2 271.364 2.273 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](C)[S@@]1=O ZINC000285986482 394995852 /nfs/dbraw/zinc/99/58/52/394995852.db2.gz OFZZKCHPIAWANN-PEELUZDISA-N 1 2 276.405 2.290 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](C)[S@@]1=O ZINC000285986482 394995854 /nfs/dbraw/zinc/99/58/54/394995854.db2.gz OFZZKCHPIAWANN-PEELUZDISA-N 1 2 276.405 2.290 20 30 CEEDLO C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000152941308 394999921 /nfs/dbraw/zinc/99/99/21/394999921.db2.gz QVZFJJFBOKZKIL-ZBFHGGJFSA-N 1 2 265.445 2.099 20 30 CEEDLO N#Cc1cccc(Cl)c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371108630 395024733 /nfs/dbraw/zinc/02/47/33/395024733.db2.gz SCGRQUBETLXAKH-ZDUSSCGKSA-N 1 2 291.782 2.123 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000134911433 394960621 /nfs/dbraw/zinc/96/06/21/394960621.db2.gz LNAYUFUJNJAFHO-QGZVFWFLSA-N 1 2 287.407 2.328 20 30 CEEDLO C=CCN(c1cc(NCCCC)[nH+]c(N)n1)C1CC1 ZINC000342917320 395026370 /nfs/dbraw/zinc/02/63/70/395026370.db2.gz MQVVNVAOMYGPSH-UHFFFAOYSA-N 1 2 261.373 2.256 20 30 CEEDLO C=CCN(c1cc(NCCCC)nc(N)[nH+]1)C1CC1 ZINC000342917320 395026373 /nfs/dbraw/zinc/02/63/73/395026373.db2.gz MQVVNVAOMYGPSH-UHFFFAOYSA-N 1 2 261.373 2.256 20 30 CEEDLO N#CCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425235499 395052981 /nfs/dbraw/zinc/05/29/81/395052981.db2.gz DJOQQYKOWNNXHV-CQSZACIVSA-N 1 2 282.347 2.352 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425259517 395054861 /nfs/dbraw/zinc/05/48/61/395054861.db2.gz MFPFCDDGTDREDZ-IUODEOHRSA-N 1 2 257.337 2.077 20 30 CEEDLO C#CC[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374142152 395074349 /nfs/dbraw/zinc/07/43/49/395074349.db2.gz IZERBIGJOHOHIZ-CQSZACIVSA-N 1 2 254.333 2.044 20 30 CEEDLO C#CC[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374142152 395074354 /nfs/dbraw/zinc/07/43/54/395074354.db2.gz IZERBIGJOHOHIZ-CQSZACIVSA-N 1 2 254.333 2.044 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)C(C)C ZINC000289371801 395075494 /nfs/dbraw/zinc/07/54/94/395075494.db2.gz LMDOINWGHJGZLD-CYBMUJFWSA-N 1 2 279.409 2.263 20 30 CEEDLO C#CCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287454693 395041061 /nfs/dbraw/zinc/04/10/61/395041061.db2.gz QVBGFAFYDUBLQE-LBPRGKRZSA-N 1 2 258.369 2.336 20 30 CEEDLO C#CCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287454693 395041065 /nfs/dbraw/zinc/04/10/65/395041065.db2.gz QVBGFAFYDUBLQE-LBPRGKRZSA-N 1 2 258.369 2.336 20 30 CEEDLO CCN(CC#N)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372452916 395042011 /nfs/dbraw/zinc/04/20/11/395042011.db2.gz APAYZMLBHIUSAT-LLVKDONJSA-N 1 2 274.368 2.010 20 30 CEEDLO CCN(CC#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372452916 395042016 /nfs/dbraw/zinc/04/20/16/395042016.db2.gz APAYZMLBHIUSAT-LLVKDONJSA-N 1 2 274.368 2.010 20 30 CEEDLO CC#CCCCc1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000346901154 395113671 /nfs/dbraw/zinc/11/36/71/395113671.db2.gz SJPZXOZYSRXCOG-KBPBESRZSA-N 1 2 289.379 2.341 20 30 CEEDLO CC#CCCCc1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000346901154 395113673 /nfs/dbraw/zinc/11/36/73/395113673.db2.gz SJPZXOZYSRXCOG-KBPBESRZSA-N 1 2 289.379 2.341 20 30 CEEDLO C=C[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346986131 395115838 /nfs/dbraw/zinc/11/58/38/395115838.db2.gz IPOZVFGEMIPKNC-GFCCVEGCSA-N 1 2 255.321 2.236 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccccc1C(=O)N(C)C ZINC000417693117 395125505 /nfs/dbraw/zinc/12/55/05/395125505.db2.gz BJYRRORQNMOTIJ-UHFFFAOYSA-N 1 2 259.353 2.124 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccccc1C(=O)N(C)C ZINC000417693117 395125507 /nfs/dbraw/zinc/12/55/07/395125507.db2.gz BJYRRORQNMOTIJ-UHFFFAOYSA-N 1 2 259.353 2.124 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000174869963 395128912 /nfs/dbraw/zinc/12/89/12/395128912.db2.gz BNULGEJMMYASOW-HNNXBMFYSA-N 1 2 285.391 2.489 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000174869963 395128917 /nfs/dbraw/zinc/12/89/17/395128917.db2.gz BNULGEJMMYASOW-HNNXBMFYSA-N 1 2 285.391 2.489 20 30 CEEDLO CN(C)c1ncc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000348708196 395150132 /nfs/dbraw/zinc/15/01/32/395150132.db2.gz KJWFXKYTZNIWCC-UHFFFAOYSA-N 1 2 268.361 2.037 20 30 CEEDLO CCN(CC)C(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178132751 395160938 /nfs/dbraw/zinc/16/09/38/395160938.db2.gz ZZNMLNILRBJXCL-SNVBAGLBSA-N 1 2 297.786 2.234 20 30 CEEDLO Cc1cc(N[C@@H]2CCO[C@@H](c3ccccn3)C2)c(C#N)c[nH+]1 ZINC000519820534 395225232 /nfs/dbraw/zinc/22/52/32/395225232.db2.gz KWOKHIKYJJYVRO-RHSMWYFYSA-N 1 2 294.358 2.411 20 30 CEEDLO C/C(Cl)=C\C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000528342174 395289214 /nfs/dbraw/zinc/28/92/14/395289214.db2.gz OPSIZACKJZZUBX-UUILKARUSA-N 1 2 276.771 2.218 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000411321221 395327240 /nfs/dbraw/zinc/32/72/40/395327240.db2.gz HIGZVXXEILCZQV-WFASDCNBSA-N 1 2 260.337 2.458 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000411321221 395327245 /nfs/dbraw/zinc/32/72/45/395327245.db2.gz HIGZVXXEILCZQV-WFASDCNBSA-N 1 2 260.337 2.458 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCCNC1=O ZINC000411184280 395320892 /nfs/dbraw/zinc/32/08/92/395320892.db2.gz FGGRJLUOLTXUPI-CQSZACIVSA-N 1 2 262.328 2.092 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCCNC1=O ZINC000411184280 395320899 /nfs/dbraw/zinc/32/08/99/395320899.db2.gz FGGRJLUOLTXUPI-CQSZACIVSA-N 1 2 262.328 2.092 20 30 CEEDLO COC(=O)c1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352450528 395255893 /nfs/dbraw/zinc/25/58/93/395255893.db2.gz RGIRVTYISRIMJB-UHFFFAOYSA-N 1 2 276.311 2.301 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352469162 395257471 /nfs/dbraw/zinc/25/74/71/395257471.db2.gz WUTDOGWGUMUXKG-LBPRGKRZSA-N 1 2 269.364 2.009 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000435459305 395368792 /nfs/dbraw/zinc/36/87/92/395368792.db2.gz MXBSJCPRGXSHTR-UHFFFAOYSA-N 1 2 286.335 2.242 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)NCC3(CC#N)CC3)cc2n1C ZINC000573543639 395610495 /nfs/dbraw/zinc/61/04/95/395610495.db2.gz TVCMVSHHEFRCFB-UHFFFAOYSA-N 1 2 282.347 2.305 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000568198212 395550399 /nfs/dbraw/zinc/55/03/99/395550399.db2.gz WMKNWXKIULMPFJ-BXUZGUMPSA-N 1 2 274.368 2.177 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000568198212 395550401 /nfs/dbraw/zinc/55/04/01/395550401.db2.gz WMKNWXKIULMPFJ-BXUZGUMPSA-N 1 2 274.368 2.177 20 30 CEEDLO CCOC(=O)c1csc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000568585159 395563506 /nfs/dbraw/zinc/56/35/06/395563506.db2.gz WBZAFXNEQZGLJA-UHFFFAOYSA-N 1 2 293.392 2.445 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000568650431 395565199 /nfs/dbraw/zinc/56/51/99/395565199.db2.gz PQONBJXEZPCQHM-RYUDHWBXSA-N 1 2 282.347 2.337 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000568650431 395565201 /nfs/dbraw/zinc/56/52/01/395565201.db2.gz PQONBJXEZPCQHM-RYUDHWBXSA-N 1 2 282.347 2.337 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569116075 395573828 /nfs/dbraw/zinc/57/38/28/395573828.db2.gz FPUJMCXQRSZHHQ-GOEBONIOSA-N 1 2 296.374 2.336 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000571858971 395584698 /nfs/dbraw/zinc/58/46/98/395584698.db2.gz XFGLOCYBNHACEP-UHFFFAOYSA-N 1 2 270.311 2.405 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(C)=O)c1 ZINC000572897119 395593305 /nfs/dbraw/zinc/59/33/05/395593305.db2.gz DAJJARWAVQTCAB-ZDUSSCGKSA-N 1 2 273.336 2.110 20 30 CEEDLO Cc1c(Cl)cccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572934009 395594824 /nfs/dbraw/zinc/59/48/24/395594824.db2.gz LZDHLSSGFUWRHT-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO CCc1nocc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000574461735 395630481 /nfs/dbraw/zinc/63/04/81/395630481.db2.gz BSMHBWSSTGBZSF-UHFFFAOYSA-N 1 2 256.309 2.136 20 30 CEEDLO CCc1nocc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000574461735 395630483 /nfs/dbraw/zinc/63/04/83/395630483.db2.gz BSMHBWSSTGBZSF-UHFFFAOYSA-N 1 2 256.309 2.136 20 30 CEEDLO CO[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000459426688 395666121 /nfs/dbraw/zinc/66/61/21/395666121.db2.gz DLUMYGBKEIHPAV-DGCLKSJQSA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000459426688 395666123 /nfs/dbraw/zinc/66/61/23/395666123.db2.gz DLUMYGBKEIHPAV-DGCLKSJQSA-N 1 2 289.335 2.466 20 30 CEEDLO N#Cc1cccc(C2(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)c1 ZINC000492858681 395671215 /nfs/dbraw/zinc/67/12/15/395671215.db2.gz FUFNSBIBBBZCQH-PLNGDYQASA-N 1 2 278.315 2.100 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000611198294 400666497 /nfs/dbraw/zinc/66/64/97/400666497.db2.gz CPTPECTWZJDMRB-NOZJJQNGSA-N 1 2 295.745 2.476 20 30 CEEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(C(C)(C)C)no1 ZINC000191244312 153164113 /nfs/dbraw/zinc/16/41/13/153164113.db2.gz AHUNWRIXMGORDP-JTQLQIEISA-N 1 2 287.367 2.428 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192072509 153204491 /nfs/dbraw/zinc/20/44/91/153204491.db2.gz ZEOSNHVCVYLTLH-LLVKDONJSA-N 1 2 278.327 2.469 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192072509 153204495 /nfs/dbraw/zinc/20/44/95/153204495.db2.gz ZEOSNHVCVYLTLH-LLVKDONJSA-N 1 2 278.327 2.469 20 30 CEEDLO N#Cc1ccnc(NCC[NH+]2CCSCC2)c1Cl ZINC000230938373 153402832 /nfs/dbraw/zinc/40/28/32/153402832.db2.gz YACZPXXSFYGLQQ-UHFFFAOYSA-N 1 2 282.800 2.067 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000375496933 157105543 /nfs/dbraw/zinc/10/55/43/157105543.db2.gz OXWJUERBGBVEBH-CYBMUJFWSA-N 1 2 280.331 2.264 20 30 CEEDLO N#Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000547995604 298384954 /nfs/dbraw/zinc/38/49/54/298384954.db2.gz QWFSUXVQXHOJHG-GFCCVEGCSA-N 1 2 299.309 2.030 20 30 CEEDLO Cn1cccc1C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327953 162287675 /nfs/dbraw/zinc/28/76/75/162287675.db2.gz IFBYVFUFDQBGOW-UHFFFAOYSA-N 1 2 267.332 2.211 20 30 CEEDLO Cn1cccc1C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327953 162287679 /nfs/dbraw/zinc/28/76/79/162287679.db2.gz IFBYVFUFDQBGOW-UHFFFAOYSA-N 1 2 267.332 2.211 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)cn1)C1CCOCC1 ZINC000284488626 196067988 /nfs/dbraw/zinc/06/79/88/196067988.db2.gz GDGTVGXRNFVBFC-OAHLLOKOSA-N 1 2 297.362 2.267 20 30 CEEDLO C[C@@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccc(C#N)cc1 ZINC000564725129 298842698 /nfs/dbraw/zinc/84/26/98/298842698.db2.gz FVVAOQPTOVTZRN-LLVKDONJSA-N 1 2 281.363 2.415 20 30 CEEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nncn1C ZINC000285410064 196275854 /nfs/dbraw/zinc/27/58/54/196275854.db2.gz PLFMZPJDYIQZBY-AWEZNQCLSA-N 1 2 287.342 2.313 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(CC#N)CC1 ZINC000334238765 414873899 /nfs/dbraw/zinc/87/38/99/414873899.db2.gz KDDOOGGVYCCHOM-UHFFFAOYSA-N 1 2 296.374 2.497 20 30 CEEDLO C=C(C)CN(C)c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663779343 415046648 /nfs/dbraw/zinc/04/66/48/415046648.db2.gz XPWYVXSIFWGAPY-UHFFFAOYSA-N 1 2 274.372 2.176 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccccn2)nn1 ZINC000653612302 415052763 /nfs/dbraw/zinc/05/27/63/415052763.db2.gz IYQCCLURDRHFTN-GFCCVEGCSA-N 1 2 257.341 2.100 20 30 CEEDLO C=CCn1c(C)cc(C(=O)CN(C)Cc2c[nH+]c[nH]2)c1C ZINC000661084546 415084532 /nfs/dbraw/zinc/08/45/32/415084532.db2.gz BXPBSWANFSMSLX-UHFFFAOYSA-N 1 2 286.379 2.329 20 30 CEEDLO C=CCn1c(C)cc(C(=O)CN(C)Cc2c[nH]c[nH+]2)c1C ZINC000661084546 415084537 /nfs/dbraw/zinc/08/45/37/415084537.db2.gz BXPBSWANFSMSLX-UHFFFAOYSA-N 1 2 286.379 2.329 20 30 CEEDLO C=CC[N@H+](Cc1nc(-c2ccccn2)no1)[C@@H](C)COC ZINC000661243589 415154051 /nfs/dbraw/zinc/15/40/51/415154051.db2.gz LWNUKGALRJGTDU-LBPRGKRZSA-N 1 2 288.351 2.155 20 30 CEEDLO C=CC[N@@H+](Cc1nc(-c2ccccn2)no1)[C@@H](C)COC ZINC000661243589 415154059 /nfs/dbraw/zinc/15/40/59/415154059.db2.gz LWNUKGALRJGTDU-LBPRGKRZSA-N 1 2 288.351 2.155 20 30 CEEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C)c1C)[C@@H](C)COC ZINC000661243414 415154991 /nfs/dbraw/zinc/15/49/91/415154991.db2.gz KQBZNMZMATZUGP-ZDUSSCGKSA-N 1 2 278.396 2.348 20 30 CEEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)[C@@H](C)COC ZINC000661243414 415154995 /nfs/dbraw/zinc/15/49/95/415154995.db2.gz KQBZNMZMATZUGP-ZDUSSCGKSA-N 1 2 278.396 2.348 20 30 CEEDLO C=CC[C@H]1CCC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000661384514 415236924 /nfs/dbraw/zinc/23/69/24/415236924.db2.gz JFIHEGGRCUUMFJ-LBPRGKRZSA-N 1 2 263.389 2.216 20 30 CEEDLO C=CC[C@H]1CCC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000661384514 415236929 /nfs/dbraw/zinc/23/69/29/415236929.db2.gz JFIHEGGRCUUMFJ-LBPRGKRZSA-N 1 2 263.389 2.216 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661472387 415277538 /nfs/dbraw/zinc/27/75/38/415277538.db2.gz UHXQFEWOYUOZJS-AWEZNQCLSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661472387 415277544 /nfs/dbraw/zinc/27/75/44/415277544.db2.gz UHXQFEWOYUOZJS-AWEZNQCLSA-N 1 2 280.412 2.054 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511920 415307231 /nfs/dbraw/zinc/30/72/31/415307231.db2.gz NGJYZFHRZHERMJ-FZMZJTMJSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661511920 415307237 /nfs/dbraw/zinc/30/72/37/415307237.db2.gz NGJYZFHRZHERMJ-FZMZJTMJSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827234 415493500 /nfs/dbraw/zinc/49/35/00/415493500.db2.gz HKHSHXUEUITLEV-OCCSQVGLSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827234 415493507 /nfs/dbraw/zinc/49/35/07/415493507.db2.gz HKHSHXUEUITLEV-OCCSQVGLSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661738219 415436056 /nfs/dbraw/zinc/43/60/56/415436056.db2.gz YTMZIHZQXOSYFD-HNNXBMFYSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661738219 415436058 /nfs/dbraw/zinc/43/60/58/415436058.db2.gz YTMZIHZQXOSYFD-HNNXBMFYSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCN(C(=O)N[C@@H](C)c1[nH+]ccn1CC)[C@@H](C)COC ZINC000665045016 415562992 /nfs/dbraw/zinc/56/29/92/415562992.db2.gz ATZRYPXUVDWTFI-STQMWFEESA-N 1 2 294.399 2.197 20 30 CEEDLO O=C(N[C@H]1CCCOCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329254913 227387437 /nfs/dbraw/zinc/38/74/37/227387437.db2.gz DEQJPJVSURXPFX-ZDUSSCGKSA-N 1 2 292.383 2.072 20 30 CEEDLO O=C(N[C@H]1CCCOCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329254913 227387443 /nfs/dbraw/zinc/38/74/43/227387443.db2.gz DEQJPJVSURXPFX-ZDUSSCGKSA-N 1 2 292.383 2.072 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000330081460 228034294 /nfs/dbraw/zinc/03/42/94/228034294.db2.gz JWTRXYHGDNYWOF-VXGBXAGGSA-N 1 2 278.356 2.403 20 30 CEEDLO [O-]C(NCCC1CCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330171935 228055631 /nfs/dbraw/zinc/05/56/31/228055631.db2.gz FXJBIBUFSKGTBF-ZDUSSCGKSA-N 1 2 276.384 2.282 20 30 CEEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CCC1CCCC1 ZINC000330171935 228055635 /nfs/dbraw/zinc/05/56/35/228055635.db2.gz FXJBIBUFSKGTBF-ZDUSSCGKSA-N 1 2 276.384 2.282 20 30 CEEDLO N#CC[C@H](CC(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000355992536 228078503 /nfs/dbraw/zinc/07/85/03/228078503.db2.gz ROAQIFNCJWDKOB-CQSZACIVSA-N 1 2 282.347 2.156 20 30 CEEDLO C=CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000665946493 419488986 /nfs/dbraw/zinc/48/89/86/419488986.db2.gz NJVLQJOEZNLWDC-CHWSQXEVSA-N 1 2 262.357 2.052 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667257199 419601697 /nfs/dbraw/zinc/60/16/97/419601697.db2.gz DQLRYIUFRPFGQN-LLVKDONJSA-N 1 2 250.346 2.089 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667257200 419604102 /nfs/dbraw/zinc/60/41/02/419604102.db2.gz DQLRYIUFRPFGQN-NSHDSACASA-N 1 2 250.346 2.089 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667547588 419706184 /nfs/dbraw/zinc/70/61/84/419706184.db2.gz QOJLJLCVKHKQNW-SECBINFHSA-N 1 2 287.285 2.092 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667547588 419706188 /nfs/dbraw/zinc/70/61/88/419706188.db2.gz QOJLJLCVKHKQNW-SECBINFHSA-N 1 2 287.285 2.092 20 30 CEEDLO C[C@@H](CC(=O)N(C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000521050165 260265917 /nfs/dbraw/zinc/26/59/17/260265917.db2.gz BTFYIDJMKZYOJQ-ZDUSSCGKSA-N 1 2 282.347 2.364 20 30 CEEDLO C#CCN(CC#CC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000490675775 261182828 /nfs/dbraw/zinc/18/28/28/261182828.db2.gz GAYMRTBMDFFPSO-UHFFFAOYSA-N 1 2 291.354 2.030 20 30 CEEDLO C#C[C@H](CC)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490717103 261192177 /nfs/dbraw/zinc/19/21/77/261192177.db2.gz ARXOLLWJTNZHMX-NWDGAFQWSA-N 1 2 273.380 2.166 20 30 CEEDLO C#C[C@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490717103 261192180 /nfs/dbraw/zinc/19/21/80/261192180.db2.gz ARXOLLWJTNZHMX-NWDGAFQWSA-N 1 2 273.380 2.166 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)C(=O)OC(C)C)c1 ZINC000173989446 261552442 /nfs/dbraw/zinc/55/24/42/261552442.db2.gz VDFDALOWPFAAIX-UJFYRASASA-N 1 2 279.336 2.407 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000184089659 262008240 /nfs/dbraw/zinc/00/82/40/262008240.db2.gz PEBMNGSWYPXYFM-NSHDSACASA-N 1 2 293.323 2.394 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000491785167 262045369 /nfs/dbraw/zinc/04/53/69/262045369.db2.gz RXSFDWXBZPYGIX-SNVBAGLBSA-N 1 2 278.308 2.066 20 30 CEEDLO C#CCC(C)(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000364068075 262136467 /nfs/dbraw/zinc/13/64/67/262136467.db2.gz RHSVPROESBZURU-CYBMUJFWSA-N 1 2 273.380 2.235 20 30 CEEDLO CCN(CCC#N)C(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000189441588 262171695 /nfs/dbraw/zinc/17/16/95/262171695.db2.gz XYELTZMIUGDOGM-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO CC(C)OC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000364512909 262253637 /nfs/dbraw/zinc/25/36/37/262253637.db2.gz YSYYAGDNGYZNDF-KRWDZBQOSA-N 1 2 273.376 2.164 20 30 CEEDLO CC(C)OC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000364512909 262253638 /nfs/dbraw/zinc/25/36/38/262253638.db2.gz YSYYAGDNGYZNDF-KRWDZBQOSA-N 1 2 273.376 2.164 20 30 CEEDLO Cc1cn2c([nH+]1)CN(CC#Cc1ccccc1)CC2 ZINC000365275723 262357398 /nfs/dbraw/zinc/35/73/98/262357398.db2.gz OZGBQSIENGTAKM-UHFFFAOYSA-N 1 2 251.333 2.059 20 30 CEEDLO C#CCC(C)(C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365378205 262362770 /nfs/dbraw/zinc/36/27/70/262362770.db2.gz KOWHAXBXHODIDG-UHFFFAOYSA-N 1 2 273.380 2.227 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@@H+](C[C@H](C)C#N)C3CC3)nc12 ZINC000338374350 262529123 /nfs/dbraw/zinc/52/91/23/262529123.db2.gz CMBPILUSUNSATL-GFCCVEGCSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@H+](C[C@H](C)C#N)C3CC3)nc12 ZINC000338374350 262529126 /nfs/dbraw/zinc/52/91/26/262529126.db2.gz CMBPILUSUNSATL-GFCCVEGCSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(OCC#N)cc2)no1 ZINC000264593443 262891288 /nfs/dbraw/zinc/89/12/88/262891288.db2.gz ZLTKFUQQKPUUAZ-UHFFFAOYSA-N 1 2 286.335 2.305 20 30 CEEDLO COCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccco1 ZINC000272537920 263006144 /nfs/dbraw/zinc/00/61/44/263006144.db2.gz ZUFWEOQBBNUVGO-CHWSQXEVSA-N 1 2 261.325 2.390 20 30 CEEDLO Cc1cc(N2CCO[C@@H](C#N)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272865250 263009656 /nfs/dbraw/zinc/00/96/56/263009656.db2.gz RGWPATNJRPEXMG-LBPRGKRZSA-N 1 2 298.302 2.180 20 30 CEEDLO Cn1ccnc1[C@@H]([NH2+]CCCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000273167419 263013443 /nfs/dbraw/zinc/01/34/43/263013443.db2.gz LUCGFFQUCDGUIY-AWEZNQCLSA-N 1 2 299.334 2.311 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000273359932 263016118 /nfs/dbraw/zinc/01/61/18/263016118.db2.gz CVJQVWJARGODAL-KGLIPLIRSA-N 1 2 294.399 2.359 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000273359928 263016122 /nfs/dbraw/zinc/01/61/22/263016122.db2.gz CVJQVWJARGODAL-KBPBESRZSA-N 1 2 294.399 2.359 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)CC(C)(C)C#N)c[nH+]1 ZINC000278762230 263050733 /nfs/dbraw/zinc/05/07/33/263050733.db2.gz KIFHASKPIWBZOD-UHFFFAOYSA-N 1 2 288.395 2.484 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279787254 263057381 /nfs/dbraw/zinc/05/73/81/263057381.db2.gz FWFSFLHCGOSXMD-UHFFFAOYSA-N 1 2 282.347 2.449 20 30 CEEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000280725453 263063896 /nfs/dbraw/zinc/06/38/96/263063896.db2.gz KPZFPYMIXNBJAQ-LBPRGKRZSA-N 1 2 274.364 2.481 20 30 CEEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000280725453 263063897 /nfs/dbraw/zinc/06/38/97/263063897.db2.gz KPZFPYMIXNBJAQ-LBPRGKRZSA-N 1 2 274.364 2.481 20 30 CEEDLO COc1ccccc1CCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284587310 263087495 /nfs/dbraw/zinc/08/74/95/263087495.db2.gz XTMGKXJQPHOCJF-AWEZNQCLSA-N 1 2 278.352 2.096 20 30 CEEDLO COc1cc[nH+]cc1CON=C1CCC2(CC1)OCCO2 ZINC000288685653 263105562 /nfs/dbraw/zinc/10/55/62/263105562.db2.gz SVOXXMJGCQVANW-UHFFFAOYSA-N 1 2 292.335 2.280 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289982345 263113752 /nfs/dbraw/zinc/11/37/52/263113752.db2.gz RRVQVSLIDJGTOX-AAEUAGOBSA-N 1 2 277.759 2.227 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289982345 263113753 /nfs/dbraw/zinc/11/37/53/263113753.db2.gz RRVQVSLIDJGTOX-AAEUAGOBSA-N 1 2 277.759 2.227 20 30 CEEDLO COc1ccc([C@H](O)C2CC[NH+](CCC#N)CC2)cc1 ZINC000291245899 263120903 /nfs/dbraw/zinc/12/09/03/263120903.db2.gz VNWMUPOSAOPZBH-INIZCTEOSA-N 1 2 274.364 2.354 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1c(C)cccc1C ZINC000292328356 263131157 /nfs/dbraw/zinc/13/11/57/263131157.db2.gz WEHUDJFGZLQGJC-INIZCTEOSA-N 1 2 288.391 2.445 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1c(C)cccc1C ZINC000292328356 263131158 /nfs/dbraw/zinc/13/11/58/263131158.db2.gz WEHUDJFGZLQGJC-INIZCTEOSA-N 1 2 288.391 2.445 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000292711855 263133962 /nfs/dbraw/zinc/13/39/62/263133962.db2.gz BGMGCNXRQVTZNA-HNNXBMFYSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000292711855 263133963 /nfs/dbraw/zinc/13/39/63/263133963.db2.gz BGMGCNXRQVTZNA-HNNXBMFYSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CC[C@@H]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000295493652 263178322 /nfs/dbraw/zinc/17/83/22/263178322.db2.gz FOKOMDPPYBCWLM-STQMWFEESA-N 1 2 295.346 2.079 20 30 CEEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000328783834 263870915 /nfs/dbraw/zinc/87/09/15/263870915.db2.gz NPSMWVJVOJANMD-NEPJUHHUSA-N 1 2 263.341 2.256 20 30 CEEDLO CC[C@H](NC(=O)c1cn(C(C)(C)C)nn1)c1[nH]cc[nH+]1 ZINC000331090234 264133132 /nfs/dbraw/zinc/13/31/32/264133132.db2.gz HEGXEVPKMSSUDL-VIFPVBQESA-N 1 2 276.344 2.212 20 30 CEEDLO Cc1occc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331359908 264209320 /nfs/dbraw/zinc/20/93/20/264209320.db2.gz XCZQBEPHPFZVFL-UHFFFAOYSA-N 1 2 266.341 2.003 20 30 CEEDLO CCN(Cc1[nH+]ccc(OC)c1OC)C[C@H](C)C#N ZINC000188666733 264234766 /nfs/dbraw/zinc/23/47/66/264234766.db2.gz WLLBJLWOAXJZBS-LLVKDONJSA-N 1 2 263.341 2.080 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCCNc1cccc[nH+]1 ZINC000281012725 264470794 /nfs/dbraw/zinc/47/07/94/264470794.db2.gz MWXQKWMXLGVJGO-GFCCVEGCSA-N 1 2 262.357 2.147 20 30 CEEDLO C=CC[N@@H+](CC(=O)N[C@H](C)CC)Cc1cccc(C#N)c1 ZINC000194534096 265587351 /nfs/dbraw/zinc/58/73/51/265587351.db2.gz DZFYRSRHIZNGKS-CQSZACIVSA-N 1 2 285.391 2.461 20 30 CEEDLO C=CC[N@H+](CC(=O)N[C@H](C)CC)Cc1cccc(C#N)c1 ZINC000194534096 265587354 /nfs/dbraw/zinc/58/73/54/265587354.db2.gz DZFYRSRHIZNGKS-CQSZACIVSA-N 1 2 285.391 2.461 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H]1CC(C)=C[C@@H](C)C1)C(=O)OC ZINC000356313017 266093691 /nfs/dbraw/zinc/09/36/91/266093691.db2.gz DBDDHUVQGBVGFS-YUELXQCFSA-N 1 2 281.396 2.313 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000357866619 266378492 /nfs/dbraw/zinc/37/84/92/266378492.db2.gz MLNSXVNPKNRMOE-LLVKDONJSA-N 1 2 258.325 2.016 20 30 CEEDLO C=C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000362614516 267022768 /nfs/dbraw/zinc/02/27/68/267022768.db2.gz PVUAODFNKJSYCB-ZDUSSCGKSA-N 1 2 289.379 2.215 20 30 CEEDLO CCC[C@@H](CNc1cc(C)[nH+]cc1C#N)C(=O)OCC ZINC000425253656 267031477 /nfs/dbraw/zinc/03/14/77/267031477.db2.gz CVMQRFLYSRDLON-LBPRGKRZSA-N 1 2 275.352 2.075 20 30 CEEDLO CCOC(=O)Nc1ccc(NCc2[nH+]ccn2C)cc1C#N ZINC000495087388 267129157 /nfs/dbraw/zinc/12/91/57/267129157.db2.gz OIMLLENWNRYMII-UHFFFAOYSA-N 1 2 299.334 2.472 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C#N)oc1C ZINC000456372639 267259269 /nfs/dbraw/zinc/25/92/69/267259269.db2.gz ZKTOZUCJBROALZ-VIFPVBQESA-N 1 2 272.308 2.167 20 30 CEEDLO Cc1cc(NCCOC2CCCCC2)c(C#N)c[nH+]1 ZINC000399443906 267299765 /nfs/dbraw/zinc/29/97/65/267299765.db2.gz MQLTXZSUXRYSAO-UHFFFAOYSA-N 1 2 259.353 2.445 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)c1cc(C#N)c2ccccc2n1 ZINC000428134010 267323308 /nfs/dbraw/zinc/32/33/08/267323308.db2.gz ZTUUARMXKSOXJH-UHFFFAOYSA-N 1 2 263.304 2.466 20 30 CEEDLO C=CCN(CC)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371358157 267393875 /nfs/dbraw/zinc/39/38/75/267393875.db2.gz XJGHWFUDJUGWQR-AWEZNQCLSA-N 1 2 288.395 2.268 20 30 CEEDLO Cc1cc(NC[C@@H](CO)c2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425270478 267951223 /nfs/dbraw/zinc/95/12/23/267951223.db2.gz SVDJMIIVDSZRDR-AWEZNQCLSA-N 1 2 285.322 2.011 20 30 CEEDLO Cc1ccc(NCCCc2[nH+]cccc2C)nc1C#N ZINC000450723222 268025381 /nfs/dbraw/zinc/02/53/81/268025381.db2.gz HDOBICHJFKQXSP-UHFFFAOYSA-N 1 2 266.348 2.432 20 30 CEEDLO Cc1ccc2[nH+]c(CNc3ccc(C#N)c(C)n3)cn2c1 ZINC000487747222 268047570 /nfs/dbraw/zinc/04/75/70/268047570.db2.gz FBIRWJZYZYSTNJ-UHFFFAOYSA-N 1 2 277.331 2.252 20 30 CEEDLO Cc1cc(NCCc2cccc(C)[nH+]2)c(C#N)cn1 ZINC000425261919 268051278 /nfs/dbraw/zinc/05/12/78/268051278.db2.gz QNAKEARULRZIHZ-UHFFFAOYSA-N 1 2 252.321 2.042 20 30 CEEDLO N#Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1F ZINC000493161741 268185947 /nfs/dbraw/zinc/18/59/47/268185947.db2.gz SBPIAKRPVBJPBN-RQOWECAXSA-N 1 2 256.240 2.072 20 30 CEEDLO COc1ccnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000424306584 271042407 /nfs/dbraw/zinc/04/24/07/271042407.db2.gz IUBISZWMXZMBRZ-AWEZNQCLSA-N 1 2 280.331 2.134 20 30 CEEDLO CO[C@H](C)c1nc(CNc2cc(C)[nH+]cc2C#N)cs1 ZINC000425236206 271143738 /nfs/dbraw/zinc/14/37/38/271143738.db2.gz PMPHHGRNUOOECK-SNVBAGLBSA-N 1 2 288.376 2.460 20 30 CEEDLO Cc1cc(N2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425271967 271151510 /nfs/dbraw/zinc/15/15/10/271151510.db2.gz VWGSSEXHRFVDPK-CABZTGNLSA-N 1 2 285.269 2.011 20 30 CEEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000119902793 277121085 /nfs/dbraw/zinc/12/10/85/277121085.db2.gz ZMCGJXKJARBYSG-CQSZACIVSA-N 1 2 271.364 2.099 20 30 CEEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000119902793 277121086 /nfs/dbraw/zinc/12/10/86/277121086.db2.gz ZMCGJXKJARBYSG-CQSZACIVSA-N 1 2 271.364 2.099 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2OCC(F)F)o1 ZINC000132584056 279979450 /nfs/dbraw/zinc/97/94/50/279979450.db2.gz PVJIRQIPJKSUNP-UHFFFAOYSA-N 1 2 293.273 2.480 20 30 CEEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CC2(C1)CCCCC2 ZINC000329740830 295387671 /nfs/dbraw/zinc/38/76/71/295387671.db2.gz OGESIIWQMMMRSQ-LBPRGKRZSA-N 1 2 288.395 2.447 20 30 CEEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CC2(C1)CCCCC2 ZINC000329740830 295387673 /nfs/dbraw/zinc/38/76/73/295387673.db2.gz OGESIIWQMMMRSQ-LBPRGKRZSA-N 1 2 288.395 2.447 20 30 CEEDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352489980 298173292 /nfs/dbraw/zinc/17/32/92/298173292.db2.gz FLYYRNIAGRJDPA-MGPQQGTHSA-N 1 2 295.402 2.397 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000544610001 298324251 /nfs/dbraw/zinc/32/42/51/298324251.db2.gz SGAPONQSBBJJKM-JTQLQIEISA-N 1 2 288.738 2.227 20 30 CEEDLO CC(C)OC[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000546029142 298345972 /nfs/dbraw/zinc/34/59/72/298345972.db2.gz KWZRANWRVBONDR-CYBMUJFWSA-N 1 2 280.393 2.246 20 30 CEEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000546029142 298345973 /nfs/dbraw/zinc/34/59/73/298345973.db2.gz KWZRANWRVBONDR-CYBMUJFWSA-N 1 2 280.393 2.246 20 30 CEEDLO Cc1nn(C)cc1C(=O)/C=C/c1[nH+]ccn1CC(F)(F)F ZINC000171115153 327751537 /nfs/dbraw/zinc/75/15/37/327751537.db2.gz CNADBWGXJSTVCO-ONEGZZNKSA-N 1 2 298.268 2.383 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNc1ccncc1C#N ZINC000545947398 313498351 /nfs/dbraw/zinc/49/83/51/313498351.db2.gz KXRMJQXBTPPOEF-UHFFFAOYSA-N 1 2 277.331 2.145 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571699911 314101412 /nfs/dbraw/zinc/10/14/12/314101412.db2.gz BGMRSGCLYYHCFI-JTQLQIEISA-N 1 2 283.335 2.140 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571699911 314101415 /nfs/dbraw/zinc/10/14/15/314101415.db2.gz BGMRSGCLYYHCFI-JTQLQIEISA-N 1 2 283.335 2.140 20 30 CEEDLO Cc1cc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c(C#N)c[nH+]1 ZINC000572150641 314121896 /nfs/dbraw/zinc/12/18/96/314121896.db2.gz YFGILGWTWSULPB-DOTOQJQBSA-N 1 2 294.358 2.411 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1cccc(C#N)c1 ZINC000575842229 314223649 /nfs/dbraw/zinc/22/36/49/314223649.db2.gz DXSJXOUFXAEOET-GFCCVEGCSA-N 1 2 282.347 2.195 20 30 CEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cocn1 ZINC000576744559 314306276 /nfs/dbraw/zinc/30/62/76/314306276.db2.gz NENULEHIABFPRB-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cocn1 ZINC000576744559 314306278 /nfs/dbraw/zinc/30/62/78/314306278.db2.gz NENULEHIABFPRB-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO N#Cc1nccc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000577077024 314340261 /nfs/dbraw/zinc/34/02/61/314340261.db2.gz MRKSJMYKKLYONN-UHFFFAOYSA-N 1 2 296.378 2.242 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](Nc1cc(C#N)ncn1)c1ccccc1 ZINC000577258002 314357001 /nfs/dbraw/zinc/35/70/01/314357001.db2.gz BZWVZEMKRPQMCV-HNNXBMFYSA-N 1 2 290.330 2.283 20 30 CEEDLO C#CCCCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891368 649864805 /nfs/dbraw/zinc/86/48/05/649864805.db2.gz MURZWYWKAXHXMI-MRXNPFEDSA-N 1 2 288.366 2.492 20 30 CEEDLO C[C@@H](CC(=O)N(CC#N)c1ccccc1)n1cc[nH+]c1 ZINC000563222341 327980483 /nfs/dbraw/zinc/98/04/83/327980483.db2.gz JHLZOEWMMFNTSB-ZDUSSCGKSA-N 1 2 268.320 2.391 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000565168287 328072270 /nfs/dbraw/zinc/07/22/70/328072270.db2.gz CMMUEYZGWVUNID-QWRGUYRKSA-N 1 2 270.336 2.416 20 30 CEEDLO Cc1noc(C)c1CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266202098 328168164 /nfs/dbraw/zinc/16/81/64/328168164.db2.gz LOKOGSMSLDVGLO-LLVKDONJSA-N 1 2 269.345 2.141 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000268336234 328184019 /nfs/dbraw/zinc/18/40/19/328184019.db2.gz YWMOOBAZVDPPOU-ZANVPECISA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000268336234 328184020 /nfs/dbraw/zinc/18/40/20/328184020.db2.gz YWMOOBAZVDPPOU-ZANVPECISA-N 1 2 254.280 2.232 20 30 CEEDLO Cc1nc(N2CCC(C#N)CC2)c2c([nH+]1)CCCC2 ZINC000272946737 328201734 /nfs/dbraw/zinc/20/17/34/328201734.db2.gz XVBKRDXQAPLAQQ-UHFFFAOYSA-N 1 2 256.353 2.404 20 30 CEEDLO N#CCCN(CC1CC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290785285 328260332 /nfs/dbraw/zinc/26/03/32/328260332.db2.gz UGXKWHZVJDXBLZ-UHFFFAOYSA-N 1 2 283.335 2.492 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293527963 328276460 /nfs/dbraw/zinc/27/64/60/328276460.db2.gz JCNQBEGVJWQUNS-HNNXBMFYSA-N 1 2 262.328 2.131 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293527963 328276461 /nfs/dbraw/zinc/27/64/61/328276461.db2.gz JCNQBEGVJWQUNS-HNNXBMFYSA-N 1 2 262.328 2.131 20 30 CEEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000184578606 321732706 /nfs/dbraw/zinc/73/27/06/321732706.db2.gz SASLSJZHNMQEGP-CQSZACIVSA-N 1 2 299.330 2.067 20 30 CEEDLO N#Cc1cccc2c1CCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000582839652 322506628 /nfs/dbraw/zinc/50/66/28/322506628.db2.gz LRMNNDIKLCYZQB-ZDUSSCGKSA-N 1 2 292.342 2.291 20 30 CEEDLO CC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@H](C)C#N ZINC000535074318 328384364 /nfs/dbraw/zinc/38/43/64/328384364.db2.gz KWFNVHPBKGHOOU-GFCCVEGCSA-N 1 2 287.342 2.388 20 30 CEEDLO CC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@H](C)C#N ZINC000535074318 328384365 /nfs/dbraw/zinc/38/43/65/328384365.db2.gz KWFNVHPBKGHOOU-GFCCVEGCSA-N 1 2 287.342 2.388 20 30 CEEDLO N#CCC[C@H](C#N)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305179999 328395768 /nfs/dbraw/zinc/39/57/68/328395768.db2.gz WBNWLHMIZOOBBA-ZYHUDNBSSA-N 1 2 289.301 2.065 20 30 CEEDLO C=CC[C@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000342070892 328416436 /nfs/dbraw/zinc/41/64/36/328416436.db2.gz BUXGNBPNWFVJFQ-AWEZNQCLSA-N 1 2 288.395 2.186 20 30 CEEDLO C[C@@H]1CCN(C(=O)NCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000334385136 328426235 /nfs/dbraw/zinc/42/62/35/328426235.db2.gz MRJURIHOIOWEMP-OLZOCXBDSA-N 1 2 289.383 2.025 20 30 CEEDLO N#CCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172071534 335093351 /nfs/dbraw/zinc/09/33/51/335093351.db2.gz QXZFTBHMSXPRMK-UHFFFAOYSA-N 1 2 268.320 2.296 20 30 CEEDLO C#CC[NH+](CC#C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292819630 328540244 /nfs/dbraw/zinc/54/02/44/328540244.db2.gz NWWUBDMXJGVJTN-CQSZACIVSA-N 1 2 253.301 2.035 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000584167304 327054821 /nfs/dbraw/zinc/05/48/21/327054821.db2.gz TWBHKFNHVPKGEA-GMXVVIOVSA-N 1 2 290.392 2.136 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)cc1F ZINC000564872775 327060228 /nfs/dbraw/zinc/06/02/28/327060228.db2.gz RBCDVDPLYMOENN-CYBMUJFWSA-N 1 2 283.734 2.053 20 30 CEEDLO Cc1ccc(C[NH2+]CCC#N)c(O[C@@H]2CCOC2)c1 ZINC000569595440 327207888 /nfs/dbraw/zinc/20/78/88/327207888.db2.gz QFFJNODCMYHLOC-CQSZACIVSA-N 1 2 260.337 2.166 20 30 CEEDLO N#CCC[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000583435770 327362101 /nfs/dbraw/zinc/36/21/01/327362101.db2.gz CXYUZUAEOBPWLH-NSHDSACASA-N 1 2 297.280 2.314 20 30 CEEDLO Cc1nnsc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000583567979 328614114 /nfs/dbraw/zinc/61/41/14/328614114.db2.gz SKIHMJAOYKRFGD-UHFFFAOYSA-N 1 2 299.403 2.299 20 30 CEEDLO CCCN(CC#N)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363096306 328931643 /nfs/dbraw/zinc/93/16/43/328931643.db2.gz MXLDBVUYNIPHLJ-AWEZNQCLSA-N 1 2 286.379 2.060 20 30 CEEDLO N#CC[C@H](CC(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000378112748 329040381 /nfs/dbraw/zinc/04/03/81/329040381.db2.gz OVTTYROLYKPGQI-OAHLLOKOSA-N 1 2 294.358 2.313 20 30 CEEDLO C=C(C)C[N@@H+]1CCc2c(sc3ncnc(N)c32)C1 ZINC000378301758 329045350 /nfs/dbraw/zinc/04/53/50/329045350.db2.gz PCCFOUOIGULJKU-UHFFFAOYSA-N 1 2 260.366 2.208 20 30 CEEDLO C=C(C)C[N@H+]1CCc2c(sc3ncnc(N)c32)C1 ZINC000378301758 329045352 /nfs/dbraw/zinc/04/53/52/329045352.db2.gz PCCFOUOIGULJKU-UHFFFAOYSA-N 1 2 260.366 2.208 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000360073785 329071234 /nfs/dbraw/zinc/07/12/34/329071234.db2.gz GPYQEORMNDMHNH-GASCZTMLSA-N 1 2 257.333 2.062 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000360073785 329071235 /nfs/dbraw/zinc/07/12/35/329071235.db2.gz GPYQEORMNDMHNH-GASCZTMLSA-N 1 2 257.333 2.062 20 30 CEEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@H+]1CCCCC#N ZINC000184730194 329262584 /nfs/dbraw/zinc/26/25/84/329262584.db2.gz XKXXEMWCMFNQDP-HNNXBMFYSA-N 1 2 289.354 2.301 20 30 CEEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@@H+]1CCCCC#N ZINC000184730194 329262586 /nfs/dbraw/zinc/26/25/86/329262586.db2.gz XKXXEMWCMFNQDP-HNNXBMFYSA-N 1 2 289.354 2.301 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185330427 329270697 /nfs/dbraw/zinc/27/06/97/329270697.db2.gz KZPLFTKSJYBVFA-NSHDSACASA-N 1 2 280.318 2.056 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185330427 329270698 /nfs/dbraw/zinc/27/06/98/329270698.db2.gz KZPLFTKSJYBVFA-NSHDSACASA-N 1 2 280.318 2.056 20 30 CEEDLO C[N@@H+]1CC[C@@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185603718 329327787 /nfs/dbraw/zinc/32/77/87/329327787.db2.gz VLRGCVFXYBLXID-OCCSQVGLSA-N 1 2 295.745 2.254 20 30 CEEDLO C[N@H+]1CC[C@@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185603718 329327789 /nfs/dbraw/zinc/32/77/89/329327789.db2.gz VLRGCVFXYBLXID-OCCSQVGLSA-N 1 2 295.745 2.254 20 30 CEEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000185790129 329331879 /nfs/dbraw/zinc/33/18/79/329331879.db2.gz ZZUUFFGBEALPCE-KGLIPLIRSA-N 1 2 286.379 2.412 20 30 CEEDLO C=CCNC(=O)c1ccc(NCc2[nH+]cc(C)n2C)cc1 ZINC000419750746 329744873 /nfs/dbraw/zinc/74/48/73/329744873.db2.gz ZDEWCKSNFZAEIR-UHFFFAOYSA-N 1 2 284.363 2.256 20 30 CEEDLO C=CCOc1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263027470 330039491 /nfs/dbraw/zinc/03/94/91/330039491.db2.gz RPDSAXDEZQACFO-GFCCVEGCSA-N 1 2 282.290 2.187 20 30 CEEDLO C=CCN(CCOC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422196817 330130020 /nfs/dbraw/zinc/13/00/20/330130020.db2.gz AHYJKLNPJMVCPE-UHFFFAOYSA-N 1 2 277.368 2.042 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527536149 330263683 /nfs/dbraw/zinc/26/36/83/330263683.db2.gz OWODFLDCRKSZLW-CQSZACIVSA-N 1 2 261.369 2.478 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000424142837 330285599 /nfs/dbraw/zinc/28/55/99/330285599.db2.gz QACYUNBJHMTUIV-JYJNAYRXSA-N 1 2 289.375 2.472 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2N(C)C)nn1 ZINC000424292285 330334956 /nfs/dbraw/zinc/33/49/56/330334956.db2.gz GGGWEIADPLDUEU-CYBMUJFWSA-N 1 2 285.395 2.381 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cncc(C)c2)nn1 ZINC000424295531 330335859 /nfs/dbraw/zinc/33/58/59/330335859.db2.gz MXLSRWGRCGFFAM-LBPRGKRZSA-N 1 2 257.341 2.018 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)nn1 ZINC000424297934 330336410 /nfs/dbraw/zinc/33/64/10/330336410.db2.gz RLPPLJKNVDEXQR-OAHLLOKOSA-N 1 2 289.358 2.485 20 30 CEEDLO C=CCC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000450892948 331005317 /nfs/dbraw/zinc/00/53/17/331005317.db2.gz FZPCLBPDPGQWRU-GFCCVEGCSA-N 1 2 261.369 2.403 20 30 CEEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(N)=O ZINC000451137248 331017034 /nfs/dbraw/zinc/01/70/34/331017034.db2.gz TUBKLFWPZQVMHQ-UHFFFAOYSA-N 1 2 298.308 2.253 20 30 CEEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(N)=O ZINC000451137248 331017035 /nfs/dbraw/zinc/01/70/35/331017035.db2.gz TUBKLFWPZQVMHQ-UHFFFAOYSA-N 1 2 298.308 2.253 20 30 CEEDLO O[C@]1(C(F)F)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451440967 331029605 /nfs/dbraw/zinc/02/96/05/331029605.db2.gz XYWOZUONPGMRNH-CQSZACIVSA-N 1 2 285.721 2.393 20 30 CEEDLO O[C@]1(C(F)F)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451440967 331029606 /nfs/dbraw/zinc/02/96/06/331029606.db2.gz XYWOZUONPGMRNH-CQSZACIVSA-N 1 2 285.721 2.393 20 30 CEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC2(C#N)CC2)C1 ZINC000451882822 331046147 /nfs/dbraw/zinc/04/61/47/331046147.db2.gz SLKSBMUYDFRKKJ-LLVKDONJSA-N 1 2 275.318 2.106 20 30 CEEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000451882822 331046148 /nfs/dbraw/zinc/04/61/48/331046148.db2.gz SLKSBMUYDFRKKJ-LLVKDONJSA-N 1 2 275.318 2.106 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000454349686 331144712 /nfs/dbraw/zinc/14/47/12/331144712.db2.gz XSBMNINWOLLSSU-UHFFFAOYSA-N 1 2 283.335 2.291 20 30 CEEDLO CC#CCN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458432021 331251288 /nfs/dbraw/zinc/25/12/88/331251288.db2.gz YQMPQYFAHGQPKQ-UHFFFAOYSA-N 1 2 282.347 2.037 20 30 CEEDLO C=C(C)CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000459012139 331266415 /nfs/dbraw/zinc/26/64/15/331266415.db2.gz YBWYMFFVRBXARH-ZIAGYGMSSA-N 1 2 276.384 2.442 20 30 CEEDLO C=C(CC)CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000459068704 331269031 /nfs/dbraw/zinc/26/90/31/331269031.db2.gz DDAPMJKXUBTTSB-UHFFFAOYSA-N 1 2 262.357 2.265 20 30 CEEDLO C=C(CC)CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000459068704 331269032 /nfs/dbraw/zinc/26/90/32/331269032.db2.gz DDAPMJKXUBTTSB-UHFFFAOYSA-N 1 2 262.357 2.265 20 30 CEEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459467164 331283213 /nfs/dbraw/zinc/28/32/13/331283213.db2.gz PFMBFUZINSNWHA-LNSITVRQSA-N 1 2 299.374 2.498 20 30 CEEDLO C=CCn1cccc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000488388719 332003402 /nfs/dbraw/zinc/00/34/02/332003402.db2.gz QNABDJVJMZQVNK-UHFFFAOYSA-N 1 2 284.363 2.065 20 30 CEEDLO C#CCN(CC#CC)Cc1[nH+]ccn1Cc1ccccc1 ZINC000490839136 332119368 /nfs/dbraw/zinc/11/93/68/332119368.db2.gz GUYANUFTHVBDGJ-UHFFFAOYSA-N 1 2 277.371 2.390 20 30 CEEDLO C#CCN(CC#C)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000490898252 332127213 /nfs/dbraw/zinc/12/72/13/332127213.db2.gz ISNKDECABJTGMF-UHFFFAOYSA-N 1 2 257.724 2.056 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cnc2ccc(Cl)cn12 ZINC000490898252 332127215 /nfs/dbraw/zinc/12/72/15/332127215.db2.gz ISNKDECABJTGMF-UHFFFAOYSA-N 1 2 257.724 2.056 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C)nc2)n1 ZINC000491241488 332172574 /nfs/dbraw/zinc/17/25/74/332172574.db2.gz JQQCDAIOQSTFNS-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C)nc2)n1 ZINC000491241488 332172575 /nfs/dbraw/zinc/17/25/75/332172575.db2.gz JQQCDAIOQSTFNS-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)C1CCCCC1 ZINC000491338747 332192718 /nfs/dbraw/zinc/19/27/18/332192718.db2.gz LADLABRQHYLSNG-UHFFFAOYSA-N 1 2 295.404 2.451 20 30 CEEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)C1CCCCC1 ZINC000491338747 332192720 /nfs/dbraw/zinc/19/27/20/332192720.db2.gz LADLABRQHYLSNG-UHFFFAOYSA-N 1 2 295.404 2.451 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000491350066 332194972 /nfs/dbraw/zinc/19/49/72/332194972.db2.gz LWZVAQNADHLZHT-AWEZNQCLSA-N 1 2 282.347 2.083 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000491484010 332219454 /nfs/dbraw/zinc/21/94/54/332219454.db2.gz GNPCELPNPQYXAP-CRAIPNDOSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000491484010 332219455 /nfs/dbraw/zinc/21/94/55/332219455.db2.gz GNPCELPNPQYXAP-CRAIPNDOSA-N 1 2 284.403 2.379 20 30 CEEDLO C#CC[N@@H+](Cc1nn(C)cc1Cl)C1CCCC1 ZINC000491495243 332222502 /nfs/dbraw/zinc/22/25/02/332222502.db2.gz HSVQCWNMPVSLDP-UHFFFAOYSA-N 1 2 251.761 2.451 20 30 CEEDLO C#CC[N@H+](Cc1nn(C)cc1Cl)C1CCCC1 ZINC000491495243 332222503 /nfs/dbraw/zinc/22/25/03/332222503.db2.gz HSVQCWNMPVSLDP-UHFFFAOYSA-N 1 2 251.761 2.451 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)C1CC1 ZINC000491538368 332233144 /nfs/dbraw/zinc/23/31/44/332233144.db2.gz YNXKEIDJLBYADR-UHFFFAOYSA-N 1 2 274.389 2.445 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccc(SC)cc1)C1CC1 ZINC000491538368 332233146 /nfs/dbraw/zinc/23/31/46/332233146.db2.gz YNXKEIDJLBYADR-UHFFFAOYSA-N 1 2 274.389 2.445 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cn1nc(C)c(Br)c1C ZINC000491643003 332242459 /nfs/dbraw/zinc/24/24/59/332242459.db2.gz CQTFPCHRCNPNRA-QMMMGPOBSA-N 1 2 270.174 2.173 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cn1nc(C)c(Br)c1C ZINC000491643003 332242460 /nfs/dbraw/zinc/24/24/60/332242460.db2.gz CQTFPCHRCNPNRA-QMMMGPOBSA-N 1 2 270.174 2.173 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000491622518 332247591 /nfs/dbraw/zinc/24/75/91/332247591.db2.gz FGZFBNNKDHKYOQ-UHFFFAOYSA-N 1 2 253.305 2.128 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000491622518 332247593 /nfs/dbraw/zinc/24/75/93/332247593.db2.gz FGZFBNNKDHKYOQ-UHFFFAOYSA-N 1 2 253.305 2.128 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000491637777 332258458 /nfs/dbraw/zinc/25/84/58/332258458.db2.gz YMSKURVDDUPPFV-TZMCWYRMSA-N 1 2 290.407 2.449 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000491637777 332258460 /nfs/dbraw/zinc/25/84/60/332258460.db2.gz YMSKURVDDUPPFV-TZMCWYRMSA-N 1 2 290.407 2.449 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000491655690 332267808 /nfs/dbraw/zinc/26/78/08/332267808.db2.gz HBVGNZVAKPHEQY-GDBMZVCRSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000491655690 332267809 /nfs/dbraw/zinc/26/78/09/332267809.db2.gz HBVGNZVAKPHEQY-GDBMZVCRSA-N 1 2 270.376 2.222 20 30 CEEDLO C#CCN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491696011 332291574 /nfs/dbraw/zinc/29/15/74/332291574.db2.gz IJXDIIMWZFPMKH-CQSZACIVSA-N 1 2 267.332 2.023 20 30 CEEDLO C#CC[NH+]1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000491699283 332294127 /nfs/dbraw/zinc/29/41/27/332294127.db2.gz ITGNLVOZKVKVLJ-UHFFFAOYSA-N 1 2 275.352 2.191 20 30 CEEDLO C#CC[N@@H+](Cc1nc(C(=O)OC)cs1)C1CCCC1 ZINC000491703367 332297392 /nfs/dbraw/zinc/29/73/92/332297392.db2.gz WWZUYHVLXLNTJF-UHFFFAOYSA-N 1 2 278.377 2.308 20 30 CEEDLO C#CC[N@H+](Cc1nc(C(=O)OC)cs1)C1CCCC1 ZINC000491703367 332297393 /nfs/dbraw/zinc/29/73/93/332297393.db2.gz WWZUYHVLXLNTJF-UHFFFAOYSA-N 1 2 278.377 2.308 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491738090 332317659 /nfs/dbraw/zinc/31/76/59/332317659.db2.gz WIRXPJXFVOTHJX-CYBMUJFWSA-N 1 2 267.332 2.025 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000491753937 332329216 /nfs/dbraw/zinc/32/92/16/332329216.db2.gz QNVJRKQFMQTBGY-SNVBAGLBSA-N 1 2 282.290 2.180 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000491753937 332329218 /nfs/dbraw/zinc/32/92/18/332329218.db2.gz QNVJRKQFMQTBGY-SNVBAGLBSA-N 1 2 282.290 2.180 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc2cccnc21 ZINC000491806629 332359849 /nfs/dbraw/zinc/35/98/49/332359849.db2.gz AMKPIIAQKKGOQF-HNNXBMFYSA-N 1 2 252.317 2.069 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc2cccnc21 ZINC000491806629 332359850 /nfs/dbraw/zinc/35/98/50/332359850.db2.gz AMKPIIAQKKGOQF-HNNXBMFYSA-N 1 2 252.317 2.069 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccccc2C)n1 ZINC000491809386 332362338 /nfs/dbraw/zinc/36/23/38/332362338.db2.gz XZJWODMFSVGBLO-UHFFFAOYSA-N 1 2 297.402 2.473 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccccc2C)n1 ZINC000491809386 332362339 /nfs/dbraw/zinc/36/23/39/332362339.db2.gz XZJWODMFSVGBLO-UHFFFAOYSA-N 1 2 297.402 2.473 20 30 CEEDLO C#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491809869 332362404 /nfs/dbraw/zinc/36/24/04/332362404.db2.gz ZDZBEOYOJCDWLH-CQSZACIVSA-N 1 2 287.750 2.417 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccccc1Cl ZINC000492978020 332421110 /nfs/dbraw/zinc/42/11/10/332421110.db2.gz BXFFYGOTRHQAAG-WHLNPGIBSA-N 1 2 291.782 2.313 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C#N)CC2)[C@H]1C ZINC000250200475 333303488 /nfs/dbraw/zinc/30/34/88/333303488.db2.gz CMPBOISRYSNIIH-IPYPFGDCSA-N 1 2 277.412 2.163 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC(C)(C)c1ccccc1 ZINC000576044315 335145181 /nfs/dbraw/zinc/14/51/81/335145181.db2.gz OXJJRHQPOZOPAL-QGZVFWFLSA-N 1 2 287.407 2.314 20 30 CEEDLO CCN(CC)C(=O)C[N@H+](C)CC#Cc1ccccc1Cl ZINC000134948677 334109404 /nfs/dbraw/zinc/10/94/04/334109404.db2.gz OSRMENGUASNNFO-UHFFFAOYSA-N 1 2 292.810 2.492 20 30 CEEDLO CCN(CC)C(=O)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000134948677 334109405 /nfs/dbraw/zinc/10/94/05/334109405.db2.gz OSRMENGUASNNFO-UHFFFAOYSA-N 1 2 292.810 2.492 20 30 CEEDLO C=CC[C@H](C(=O)NCCc1c[nH+]cn1C)c1ccccc1 ZINC000547979758 334133287 /nfs/dbraw/zinc/13/32/87/334133287.db2.gz CGUXLZMRUXLMQO-INIZCTEOSA-N 1 2 283.375 2.439 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000548582866 334162890 /nfs/dbraw/zinc/16/28/90/334162890.db2.gz LRANJCUGERZYEO-UHFFFAOYSA-N 1 2 298.346 2.284 20 30 CEEDLO Cc1cnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nc1 ZINC000548865438 334177562 /nfs/dbraw/zinc/17/75/62/334177562.db2.gz LABHHBKVCSMXCT-UHFFFAOYSA-N 1 2 293.374 2.237 20 30 CEEDLO CCCC(CCC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565894145 334607066 /nfs/dbraw/zinc/60/70/66/334607066.db2.gz FAOBYKLGIMZWDU-CQSZACIVSA-N 1 2 253.390 2.163 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000566570232 334655813 /nfs/dbraw/zinc/65/58/13/334655813.db2.gz MPLYJWRJCWIZEN-VIFPVBQESA-N 1 2 267.279 2.185 20 30 CEEDLO Cc1ccc(CCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000573123953 334910875 /nfs/dbraw/zinc/91/08/75/334910875.db2.gz QTMTUIZAYUVMCY-QGZVFWFLSA-N 1 2 287.407 2.278 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576289902 335184625 /nfs/dbraw/zinc/18/46/25/335184625.db2.gz SLBMDVXBXPSOMG-QWRGUYRKSA-N 1 2 290.323 2.204 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000578450777 335636236 /nfs/dbraw/zinc/63/62/36/335636236.db2.gz KZQOWZWHNKLZQQ-AWEZNQCLSA-N 1 2 263.385 2.275 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C#N)s1)CC2 ZINC000359893075 534506343 /nfs/dbraw/zinc/50/63/43/534506343.db2.gz CQSQPWNCSDTGLW-UHFFFAOYSA-N 1 2 258.350 2.141 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263957093 534606371 /nfs/dbraw/zinc/60/63/71/534606371.db2.gz CODQVXQNYZIYMK-UHFFFAOYSA-N 1 2 283.375 2.169 20 30 CEEDLO N#Cc1ccccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000184513522 526736578 /nfs/dbraw/zinc/73/65/78/526736578.db2.gz ZCFNEMOGTVJPJB-CQSZACIVSA-N 1 2 256.305 2.365 20 30 CEEDLO C=CCCCCC[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353259530 527133093 /nfs/dbraw/zinc/13/30/93/527133093.db2.gz MSRXISFOXIGHSI-UHFFFAOYSA-N 1 2 278.318 2.439 20 30 CEEDLO C=CCCCCC[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353259530 527133097 /nfs/dbraw/zinc/13/30/97/527133097.db2.gz MSRXISFOXIGHSI-UHFFFAOYSA-N 1 2 278.318 2.439 20 30 CEEDLO C=CCCN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352750619 527312761 /nfs/dbraw/zinc/31/27/61/527312761.db2.gz XQBANYBGOCUWLT-UHFFFAOYSA-N 1 2 285.351 2.366 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000353782809 527550320 /nfs/dbraw/zinc/55/03/20/527550320.db2.gz XEYJDXLZVGKWDM-OAHLLOKOSA-N 1 2 271.320 2.342 20 30 CEEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000353782808 527639640 /nfs/dbraw/zinc/63/96/40/527639640.db2.gz XEYJDXLZVGKWDM-HNNXBMFYSA-N 1 2 271.320 2.342 20 30 CEEDLO CCOC(=O)C[N@H+](CCC(C)(C)C#N)C1CCC1 ZINC000347249511 528799118 /nfs/dbraw/zinc/79/91/18/528799118.db2.gz OBMCSVGUFHWCHC-UHFFFAOYSA-N 1 2 252.358 2.344 20 30 CEEDLO CCOC(=O)C[N@@H+](CCC(C)(C)C#N)C1CCC1 ZINC000347249511 528799121 /nfs/dbraw/zinc/79/91/21/528799121.db2.gz OBMCSVGUFHWCHC-UHFFFAOYSA-N 1 2 252.358 2.344 20 30 CEEDLO C#Cc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cn1 ZINC000728819793 574471141 /nfs/dbraw/zinc/47/11/41/574471141.db2.gz JOUOFFLXFSOSJN-UHFFFAOYSA-N 1 2 295.342 2.013 20 30 CEEDLO C#Cc1ccc(C(=O)OCc2cn3cccc(C)c3[nH+]2)cn1 ZINC000729031795 574476755 /nfs/dbraw/zinc/47/67/55/574476755.db2.gz RUTVPWHCTZESCR-UHFFFAOYSA-N 1 2 291.310 2.376 20 30 CEEDLO C[C@H]1COCC[N@@H+]1CC/N=C/c1cc(Cl)ccc1O ZINC000729148583 574480687 /nfs/dbraw/zinc/48/06/87/574480687.db2.gz CCJNPWGQFFSSJF-UJFYRASASA-N 1 2 282.771 2.185 20 30 CEEDLO C[C@H]1COCC[N@H+]1CC/N=C/c1cc(Cl)ccc1O ZINC000729148583 574480688 /nfs/dbraw/zinc/48/06/88/574480688.db2.gz CCJNPWGQFFSSJF-UJFYRASASA-N 1 2 282.771 2.185 20 30 CEEDLO Cc1cc(N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nc[nH+]1 ZINC000729921306 574495100 /nfs/dbraw/zinc/49/51/00/574495100.db2.gz ULXSUQUGGFEJGY-CQSZACIVSA-N 1 2 294.362 2.133 20 30 CEEDLO COC(=O)[C@@H](C/[NH+]=C\c1cccc(O)c1O)CC(C)C ZINC000741463889 574987886 /nfs/dbraw/zinc/98/78/86/574987886.db2.gz JDYXMFCLSVZVCP-VJMCZWTHSA-N 1 2 279.336 2.352 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCc2nnc(C3CC3)o2)ccc1F ZINC000742354507 575016126 /nfs/dbraw/zinc/01/61/26/575016126.db2.gz OSJZGEUICRGYHA-UHFFFAOYSA-N 1 2 290.298 2.232 20 30 CEEDLO C[C@H]1C(=O)N(C[NH+]2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC000743359309 575051061 /nfs/dbraw/zinc/05/10/61/575051061.db2.gz ZQIKBNUNPVGFBC-CJNGLKHVSA-N 1 2 283.375 2.399 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000747621908 575172565 /nfs/dbraw/zinc/17/25/65/575172565.db2.gz GKQQFJICEXQXJE-NSHDSACASA-N 1 2 257.293 2.255 20 30 CEEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)Cc1cccs1 ZINC000747836418 575175700 /nfs/dbraw/zinc/17/57/00/575175700.db2.gz XLWSEUOBDKFDAD-UHFFFAOYSA-N 1 2 295.408 2.214 20 30 CEEDLO N#CCc1ccc(COC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC000751442558 575289025 /nfs/dbraw/zinc/28/90/25/575289025.db2.gz NZMWXDYGCWLKEJ-UHFFFAOYSA-N 1 2 295.342 2.406 20 30 CEEDLO CCOC(=O)[C@H](C)C/[NH+]=C/c1ccc(OCC)cc1O ZINC000751890441 575300172 /nfs/dbraw/zinc/30/01/72/575300172.db2.gz MZTIYVXHIKFYFT-HPUUJOOBSA-N 1 2 279.336 2.409 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)coc2C)C1 ZINC000950007923 612991472 /nfs/dbraw/zinc/99/14/72/612991472.db2.gz QMHIEQPGINARKE-UHFFFAOYSA-N 1 2 274.364 2.066 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)o1 ZINC000878315113 651063772 /nfs/dbraw/zinc/06/37/72/651063772.db2.gz GHPZYHYWUYAORC-UHFFFAOYSA-N 1 2 286.310 2.008 20 30 CEEDLO C=CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000823506185 605498343 /nfs/dbraw/zinc/49/83/43/605498343.db2.gz CNHUGBTZPDKRFT-HIFRSBDPSA-N 1 2 295.427 2.147 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccoc2Cl)C1 ZINC000949978666 612992407 /nfs/dbraw/zinc/99/24/07/612992407.db2.gz NKVMJZTWAJDYQM-UHFFFAOYSA-N 1 2 280.755 2.103 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC000957418543 613296466 /nfs/dbraw/zinc/29/64/66/613296466.db2.gz JGRDHNCZLVBYMV-UHFFFAOYSA-N 1 2 287.407 2.421 20 30 CEEDLO C=C(C)CN1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000950628101 613296595 /nfs/dbraw/zinc/29/65/95/613296595.db2.gz QZOWFBBDQYACNS-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000950628101 613296596 /nfs/dbraw/zinc/29/65/96/613296596.db2.gz QZOWFBBDQYACNS-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(OC)c2)C1 ZINC000957316413 613296992 /nfs/dbraw/zinc/29/69/92/613296992.db2.gz NYOGVYNPAQRTHC-UHFFFAOYSA-N 1 2 288.391 2.418 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000949525794 613320113 /nfs/dbraw/zinc/32/01/13/613320113.db2.gz JCGTYVQQAMWRMK-UHFFFAOYSA-N 1 2 277.368 2.132 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC23CCC3)C1 ZINC000970509922 613371552 /nfs/dbraw/zinc/37/15/52/613371552.db2.gz SXNLZNDAPUIUCO-DGCLKSJQSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2scnc2C)C1 ZINC000969336678 613372558 /nfs/dbraw/zinc/37/25/58/613372558.db2.gz PHAKDPAMDGCJLT-VIFPVBQESA-N 1 2 299.827 2.254 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC000981829427 613373874 /nfs/dbraw/zinc/37/38/74/613373874.db2.gz AWCZFUYCTMGGFW-QWHCGFSZSA-N 1 2 288.794 2.411 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC000981829427 613373875 /nfs/dbraw/zinc/37/38/75/613373875.db2.gz AWCZFUYCTMGGFW-QWHCGFSZSA-N 1 2 288.794 2.411 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672643 613377535 /nfs/dbraw/zinc/37/75/35/613377535.db2.gz FISJYHQPFATURX-FZMZJTMJSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672643 613377536 /nfs/dbraw/zinc/37/75/36/613377536.db2.gz FISJYHQPFATURX-FZMZJTMJSA-N 1 2 295.814 2.136 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC000972081175 613439262 /nfs/dbraw/zinc/43/92/62/613439262.db2.gz ZQXDRFGLZVOJIT-ZDUSSCGKSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000972081175 613439265 /nfs/dbraw/zinc/43/92/65/613439265.db2.gz ZQXDRFGLZVOJIT-ZDUSSCGKSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000950477425 613653400 /nfs/dbraw/zinc/65/34/00/613653400.db2.gz XPDQVAHYEQFXTJ-LLVKDONJSA-N 1 2 272.339 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC000950060806 613653406 /nfs/dbraw/zinc/65/34/06/613653406.db2.gz YWYNTBLUQPCSEH-OLZOCXBDSA-N 1 2 268.376 2.233 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccccc2N(C)C)C1 ZINC000957450665 613657829 /nfs/dbraw/zinc/65/78/29/613657829.db2.gz IFIOWPRGGXAHAR-UHFFFAOYSA-N 1 2 287.407 2.085 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000957384665 613711015 /nfs/dbraw/zinc/71/10/15/613711015.db2.gz ZZLZNXXXTVPKBY-HDJSIYSDSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](c2cccnc2)C(C)C)CC1 ZINC000952394290 613712762 /nfs/dbraw/zinc/71/27/62/613712762.db2.gz VWNXTJAREJYQBB-INIZCTEOSA-N 1 2 287.407 2.151 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000956973116 613713351 /nfs/dbraw/zinc/71/33/51/613713351.db2.gz BBVBEOVQKKQRFY-ZBFHGGJFSA-N 1 2 264.413 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000949869565 613717627 /nfs/dbraw/zinc/71/76/27/613717627.db2.gz KRXKFDNTWYKUGL-UHFFFAOYSA-N 1 2 260.337 2.101 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccon1 ZINC001024342698 625520439 /nfs/dbraw/zinc/52/04/39/625520439.db2.gz APXZAKKATSOTQC-NSHDSACASA-N 1 2 283.759 2.011 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccon1 ZINC001024342698 625520444 /nfs/dbraw/zinc/52/04/44/625520444.db2.gz APXZAKKATSOTQC-NSHDSACASA-N 1 2 283.759 2.011 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000890654705 622756207 /nfs/dbraw/zinc/75/62/07/622756207.db2.gz GOQPENWWOJKBNV-LSDHHAIUSA-N 1 2 273.380 2.485 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000890810828 622996644 /nfs/dbraw/zinc/99/66/44/622996644.db2.gz GUYXGCOUBSTPAO-CHWSQXEVSA-N 1 2 261.369 2.338 20 30 CEEDLO CC[C@@H]([NH2+][C@@H](CO)CCF)c1cccc(C#N)c1O ZINC000926654482 625629613 /nfs/dbraw/zinc/62/96/13/625629613.db2.gz FDAPSRKHXJZEQT-DGCLKSJQSA-N 1 2 266.316 2.025 20 30 CEEDLO C=CC(C)(C)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000891267151 623342661 /nfs/dbraw/zinc/34/26/61/623342661.db2.gz PMRPWHBJTRNKMZ-OAHLLOKOSA-N 1 2 288.391 2.350 20 30 CEEDLO C=CC(C)(C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000891267151 623342667 /nfs/dbraw/zinc/34/26/67/623342667.db2.gz PMRPWHBJTRNKMZ-OAHLLOKOSA-N 1 2 288.391 2.350 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933125619 623510532 /nfs/dbraw/zinc/51/05/32/623510532.db2.gz IBRRNZZFRIMHEB-NEPJUHHUSA-N 1 2 280.393 2.044 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933125619 623510535 /nfs/dbraw/zinc/51/05/35/623510535.db2.gz IBRRNZZFRIMHEB-NEPJUHHUSA-N 1 2 280.393 2.044 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001024596136 625699662 /nfs/dbraw/zinc/69/96/62/625699662.db2.gz BCOBZTANQJJQRG-KGYLQXTDSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001024596136 625699666 /nfs/dbraw/zinc/69/96/66/625699666.db2.gz BCOBZTANQJJQRG-KGYLQXTDSA-N 1 2 270.804 2.366 20 30 CEEDLO C=CCOCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000779929600 624222948 /nfs/dbraw/zinc/22/29/48/624222948.db2.gz LIEYRESTPPREGL-UHFFFAOYSA-N 1 2 275.356 2.196 20 30 CEEDLO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc(C#N)c1O ZINC000926359999 624349777 /nfs/dbraw/zinc/34/97/77/624349777.db2.gz ARPHLVYLTJMPPV-XCLFUZPHSA-N 1 2 292.404 2.216 20 30 CEEDLO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc(C#N)c1O ZINC000926360000 624350118 /nfs/dbraw/zinc/35/01/18/624350118.db2.gz ARPHLVYLTJMPPV-ZUOKHONESA-N 1 2 292.404 2.216 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000934512033 624550946 /nfs/dbraw/zinc/55/09/46/624550946.db2.gz XLQMNXLGANJYPN-HNNXBMFYSA-N 1 2 291.416 2.338 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000934512033 624550948 /nfs/dbraw/zinc/55/09/48/624550948.db2.gz XLQMNXLGANJYPN-HNNXBMFYSA-N 1 2 291.416 2.338 20 30 CEEDLO CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(C#N)c1O ZINC000926692518 625743629 /nfs/dbraw/zinc/74/36/29/625743629.db2.gz NJLXLPUUFZBGCW-RISCZKNCSA-N 1 2 274.364 2.466 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)CC ZINC000820644701 634486044 /nfs/dbraw/zinc/48/60/44/634486044.db2.gz GOHUBZYUMPQQKN-OAHLLOKOSA-N 1 2 262.353 2.447 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)CSC ZINC000820664629 634494974 /nfs/dbraw/zinc/49/49/74/634494974.db2.gz PGSXLGRBVRVAGK-OAHLLOKOSA-N 1 2 294.420 2.400 20 30 CEEDLO C=CC[N@H+](CN1CCN(C2CCCC2)C1=O)C1CC1 ZINC000902210175 634527767 /nfs/dbraw/zinc/52/77/67/634527767.db2.gz MHNRCYOHYQVSKP-UHFFFAOYSA-N 1 2 263.385 2.275 20 30 CEEDLO C=CC[N@@H+](CN1CCN(C2CCCC2)C1=O)C1CC1 ZINC000902210175 634527770 /nfs/dbraw/zinc/52/77/70/634527770.db2.gz MHNRCYOHYQVSKP-UHFFFAOYSA-N 1 2 263.385 2.275 20 30 CEEDLO Cc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)nn1 ZINC000902223468 634531584 /nfs/dbraw/zinc/53/15/84/634531584.db2.gz VGAMSPMDNWCAII-UHFFFAOYSA-N 1 2 288.326 2.378 20 30 CEEDLO C(#Cc1ccccc1)CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000892639661 627336289 /nfs/dbraw/zinc/33/62/89/627336289.db2.gz BLZRXFHURYMCSV-UHFFFAOYSA-N 1 2 293.370 2.382 20 30 CEEDLO CCN(CCC#N)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162601387 628373145 /nfs/dbraw/zinc/37/31/45/628373145.db2.gz ATQVIBODDLEWGL-UHFFFAOYSA-N 1 2 275.356 2.224 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000980598897 628792657 /nfs/dbraw/zinc/79/26/57/628792657.db2.gz WDKCWUHAFJGVSV-UHFFFAOYSA-N 1 2 297.402 2.393 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000980598897 628792659 /nfs/dbraw/zinc/79/26/59/628792659.db2.gz WDKCWUHAFJGVSV-UHFFFAOYSA-N 1 2 297.402 2.393 20 30 CEEDLO N#Cc1ccc(O)c(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000821350043 634693361 /nfs/dbraw/zinc/69/33/61/634693361.db2.gz ZNRQXXDTCUGKHP-CQSZACIVSA-N 1 2 285.347 2.219 20 30 CEEDLO N#Cc1ccc(O)c(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000821350043 634693363 /nfs/dbraw/zinc/69/33/63/634693363.db2.gz ZNRQXXDTCUGKHP-CQSZACIVSA-N 1 2 285.347 2.219 20 30 CEEDLO CC[C@H]([NH2+]C[C@](C)(O)CC)c1cccc(C#N)c1O ZINC000924993227 629329618 /nfs/dbraw/zinc/32/96/18/629329618.db2.gz PNDSWPLMEAKOMQ-DZGCQCFKSA-N 1 2 262.353 2.466 20 30 CEEDLO Cc1noc(C)c1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000048376207 629345138 /nfs/dbraw/zinc/34/51/38/629345138.db2.gz SPBYMPJJACWYRE-UHFFFAOYSA-N 1 2 263.272 2.268 20 30 CEEDLO CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000925040570 629397598 /nfs/dbraw/zinc/39/75/98/629397598.db2.gz ODVKRSGCKWVDTF-GDBMZVCRSA-N 1 2 274.364 2.466 20 30 CEEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(F)c(C)c2)cn1 ZINC000795208209 629478086 /nfs/dbraw/zinc/47/80/86/629478086.db2.gz YWACQDMSECRVCG-UHFFFAOYSA-N 1 2 274.299 2.070 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](C(F)F)CC1=O ZINC000795442784 629560426 /nfs/dbraw/zinc/56/04/26/629560426.db2.gz BERQDMWJLJEFCK-LBPRGKRZSA-N 1 2 298.333 2.381 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](C(F)F)CC1=O ZINC000795442784 629560430 /nfs/dbraw/zinc/56/04/30/629560430.db2.gz BERQDMWJLJEFCK-LBPRGKRZSA-N 1 2 298.333 2.381 20 30 CEEDLO C=CCOCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622319 634749551 /nfs/dbraw/zinc/74/95/51/634749551.db2.gz DKNAIBJZXYKTFX-UHFFFAOYSA-N 1 2 252.289 2.069 20 30 CEEDLO C#C[C@H](CC)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000821567153 634753675 /nfs/dbraw/zinc/75/36/75/634753675.db2.gz GNHQCUSEBDPQOJ-CYBMUJFWSA-N 1 2 289.379 2.260 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000795861733 629695675 /nfs/dbraw/zinc/69/56/75/629695675.db2.gz PHGQBTKXEUKWIF-HNNXBMFYSA-N 1 2 275.352 2.263 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@H](C)CC#N ZINC000796707185 629973474 /nfs/dbraw/zinc/97/34/74/629973474.db2.gz BHKMUXBYTDVOMX-MRVPVSSYSA-N 1 2 293.273 2.468 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC/C=C(/C)C(=O)OC ZINC000895513635 630229992 /nfs/dbraw/zinc/22/99/92/630229992.db2.gz PSTNDPXJTHBDMD-LCYFTJDESA-N 1 2 288.347 2.405 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OCC ZINC000895592481 630269296 /nfs/dbraw/zinc/26/92/96/630269296.db2.gz QPIGGITZKSBCOM-AGIUHOORSA-N 1 2 255.358 2.041 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000895638501 630286127 /nfs/dbraw/zinc/28/61/27/630286127.db2.gz GJJCLRKCPVDNCI-UHFFFAOYSA-N 1 2 296.374 2.457 20 30 CEEDLO CC1([NH2+]Cc2cc(C#N)ccc2Br)COC1 ZINC000895758254 630333844 /nfs/dbraw/zinc/33/38/44/630333844.db2.gz DEVFXJBHYROIOH-UHFFFAOYSA-N 1 2 281.153 2.199 20 30 CEEDLO CCOC(=O)[C@@H](C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000895947910 630411437 /nfs/dbraw/zinc/41/14/37/630411437.db2.gz KGJCJAMSPGOYDB-AWEZNQCLSA-N 1 2 271.360 2.169 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)C1=O ZINC000798956549 630957268 /nfs/dbraw/zinc/95/72/68/630957268.db2.gz CQDSAGANABDTGO-CYBMUJFWSA-N 1 2 293.798 2.262 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)C1=O ZINC000798956549 630957272 /nfs/dbraw/zinc/95/72/72/630957272.db2.gz CQDSAGANABDTGO-CYBMUJFWSA-N 1 2 293.798 2.262 20 30 CEEDLO CCCCCCCS(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000799793143 631078282 /nfs/dbraw/zinc/07/82/82/631078282.db2.gz SFYOZUGJJLOIQH-AWEZNQCLSA-N 1 2 290.473 2.313 20 30 CEEDLO CCCCCCCS(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000799793143 631078288 /nfs/dbraw/zinc/07/82/88/631078288.db2.gz SFYOZUGJJLOIQH-AWEZNQCLSA-N 1 2 290.473 2.313 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1cccc(C#N)c1 ZINC000925185793 631157941 /nfs/dbraw/zinc/15/79/41/631157941.db2.gz PBHCNZCACIRTSZ-MNOVXSKESA-N 1 2 271.320 2.450 20 30 CEEDLO C#C[C@H]1CCCCN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000897360296 631185991 /nfs/dbraw/zinc/18/59/91/631185991.db2.gz CCJZNSUUENIBIV-ZDUSSCGKSA-N 1 2 288.420 2.022 20 30 CEEDLO C#C[C@H]1CCCCN1c1cc(N2CCSCC2)nc[nH+]1 ZINC000897360296 631185994 /nfs/dbraw/zinc/18/59/94/631185994.db2.gz CCJZNSUUENIBIV-ZDUSSCGKSA-N 1 2 288.420 2.022 20 30 CEEDLO O=C1C=C([NH2+]Nc2cc(F)cc(F)c2)[C@H]2CCCN12 ZINC000799477716 631327581 /nfs/dbraw/zinc/32/75/81/631327581.db2.gz GNMUQGNVLQCGKA-GFCCVEGCSA-N 1 2 265.263 2.127 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccc(Cl)nc2)[C@H]2CCCCN12 ZINC000799481098 631328156 /nfs/dbraw/zinc/32/81/56/631328156.db2.gz IZXYNKRERHTMDK-LLVKDONJSA-N 1 2 278.743 2.288 20 30 CEEDLO C=C(C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000163380677 631343896 /nfs/dbraw/zinc/34/38/96/631343896.db2.gz JLPYYECWDVXYDA-UHFFFAOYSA-N 1 2 270.336 2.248 20 30 CEEDLO Cc1nc(C2([NH2+]CCO[C@@H](C)C#N)CCCCC2)no1 ZINC000801930921 631358774 /nfs/dbraw/zinc/35/87/74/631358774.db2.gz ZPFVPNBJFXXWTN-NSHDSACASA-N 1 2 278.356 2.056 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000801936787 631362752 /nfs/dbraw/zinc/36/27/52/631362752.db2.gz WOVFMUVQELAISM-QWHCGFSZSA-N 1 2 282.384 2.111 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000801936787 631362757 /nfs/dbraw/zinc/36/27/57/631362757.db2.gz WOVFMUVQELAISM-QWHCGFSZSA-N 1 2 282.384 2.111 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839957420 631401102 /nfs/dbraw/zinc/40/11/02/631401102.db2.gz CGGJOZXKFVLDHM-CVEARBPZSA-N 1 2 283.375 2.206 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839957420 631401106 /nfs/dbraw/zinc/40/11/06/631401106.db2.gz CGGJOZXKFVLDHM-CVEARBPZSA-N 1 2 283.375 2.206 20 30 CEEDLO C=CCN1CCN(C[N@@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000839963091 631424798 /nfs/dbraw/zinc/42/47/98/631424798.db2.gz COOWRZBXLRBHNL-HNNXBMFYSA-N 1 2 271.364 2.315 20 30 CEEDLO C=CCN1CCN(C[N@H+]2CC[C@H]2c2ccccc2)C1=O ZINC000839963091 631424803 /nfs/dbraw/zinc/42/48/03/631424803.db2.gz COOWRZBXLRBHNL-HNNXBMFYSA-N 1 2 271.364 2.315 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC000804452781 631685307 /nfs/dbraw/zinc/68/53/07/631685307.db2.gz NHZVDCSNIKKAKA-KRWDZBQOSA-N 1 2 295.386 2.414 20 30 CEEDLO COCCn1cc(C[N@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000897625771 631833260 /nfs/dbraw/zinc/83/32/60/631833260.db2.gz NOBZWNBMFITBHB-UHFFFAOYSA-N 1 2 290.392 2.095 20 30 CEEDLO COCCn1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000897625771 631833264 /nfs/dbraw/zinc/83/32/64/631833264.db2.gz NOBZWNBMFITBHB-UHFFFAOYSA-N 1 2 290.392 2.095 20 30 CEEDLO COc1ccc(C=NNc2[nH+]ccn2C)c(C)c1OC ZINC000807985178 631897251 /nfs/dbraw/zinc/89/72/51/631897251.db2.gz LLWGPOYRAGUBEP-UHFFFAOYSA-N 1 2 274.324 2.192 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nnnn1C1CC1 ZINC000810238809 632196899 /nfs/dbraw/zinc/19/68/99/632196899.db2.gz NSLHHVWPIUSMLS-BONVTDFDSA-N 1 2 294.362 2.218 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)CC1(SC)CCC1 ZINC000811456006 632386053 /nfs/dbraw/zinc/38/60/53/632386053.db2.gz BIRNFKOKFKCTSN-UHFFFAOYSA-N 1 2 257.399 2.323 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)CC1(SC)CCC1 ZINC000811456006 632386056 /nfs/dbraw/zinc/38/60/56/632386056.db2.gz BIRNFKOKFKCTSN-UHFFFAOYSA-N 1 2 257.399 2.323 20 30 CEEDLO C[C@@H](CO)N[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811643426 632411574 /nfs/dbraw/zinc/41/15/74/632411574.db2.gz CUZCHWOOUSQOPC-QMMMGPOBSA-N 1 2 290.194 2.364 20 30 CEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Br)nc1 ZINC000811696271 632425017 /nfs/dbraw/zinc/42/50/17/632425017.db2.gz LLZBIYUBWYJSJC-DUXPYHPUSA-N 1 2 278.109 2.463 20 30 CEEDLO N#CC1CC[NH+](CN2CC[C@H](Cc3ccccc3)C2=O)CC1 ZINC000811740807 632433751 /nfs/dbraw/zinc/43/37/51/632433751.db2.gz XXLYAQNTJYZKPK-QGZVFWFLSA-N 1 2 297.402 2.271 20 30 CEEDLO C#C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000899197756 632734140 /nfs/dbraw/zinc/73/41/40/632734140.db2.gz SLQPCICIPRKEFQ-HDJSIYSDSA-N 1 2 273.380 2.235 20 30 CEEDLO COC[C@H](C/[NH+]=C/c1cccc(O)c1O)C(C)C ZINC000899227676 632744525 /nfs/dbraw/zinc/74/45/25/632744525.db2.gz PTTAQQSNCHLWCD-QNKXHIPISA-N 1 2 251.326 2.435 20 30 CEEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1cccc2ncccc21 ZINC000814804462 632900730 /nfs/dbraw/zinc/90/07/30/632900730.db2.gz QAENZSBSJQJFEV-UHFFFAOYSA-N 1 2 280.335 2.305 20 30 CEEDLO CC(=[NH+]Nc1cnn(C)c1)c1cc(F)c(N)c(F)c1 ZINC000814915249 632925995 /nfs/dbraw/zinc/92/59/95/632925995.db2.gz RNXIFNBXVSZUBF-UHFFFAOYSA-N 1 2 265.267 2.117 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ncc(CSC)s1)[C@H]1CCCO1 ZINC000815135743 632969154 /nfs/dbraw/zinc/96/91/54/632969154.db2.gz GJPZNUKQZGXFLX-NWDGAFQWSA-N 1 2 282.434 2.277 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(F)cc2C)nn1 ZINC000899735645 632970467 /nfs/dbraw/zinc/97/04/67/632970467.db2.gz NBBCFOVQOOLSDW-CYBMUJFWSA-N 1 2 286.354 2.448 20 30 CEEDLO C#CCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815585116 633034614 /nfs/dbraw/zinc/03/46/14/633034614.db2.gz YPTVBMCJVAKBJI-ZDUSSCGKSA-N 1 2 258.300 2.036 20 30 CEEDLO N#Cc1ccc(CN(C(=O)Cc2c[nH+]c[nH]2)C2CC2)cc1 ZINC000900123969 633454648 /nfs/dbraw/zinc/45/46/48/633454648.db2.gz JARPFDUJSIWYKC-UHFFFAOYSA-N 1 2 280.331 2.015 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)nn1 ZINC000818345599 633914660 /nfs/dbraw/zinc/91/46/60/633914660.db2.gz FVJLUXFEHSXEIP-JTQLQIEISA-N 1 2 277.759 2.363 20 30 CEEDLO Cc1[nH]c(CNC(=O)[C@@H](C#N)CCc2ccccc2)[nH+]c1C ZINC000900996318 633926062 /nfs/dbraw/zinc/92/60/62/633926062.db2.gz AYZNGWGMBBIDKC-OAHLLOKOSA-N 1 2 296.374 2.415 20 30 CEEDLO N#CCC[NH2+]Cc1cccc(Br)c1O ZINC000042411841 633967502 /nfs/dbraw/zinc/96/75/02/633967502.db2.gz MQUZDQSYPXRLMZ-UHFFFAOYSA-N 1 2 255.115 2.158 20 30 CEEDLO Cc1nn(C)c(C)c1C(=O)/C=C/c1[nH]c(C)c(C)[nH+]1 ZINC000901464746 634135931 /nfs/dbraw/zinc/13/59/31/634135931.db2.gz MTISXSMINMKOLV-VOTSOKGWSA-N 1 2 258.325 2.273 20 30 CEEDLO Cc1ccc(NC(=O)N2CC[C@](C)(C#N)C2)c(N(C)C)[nH+]1 ZINC000822086471 634846492 /nfs/dbraw/zinc/84/64/92/634846492.db2.gz ZRVLSLZRBQVJFS-OAHLLOKOSA-N 1 2 287.367 2.224 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726426 634982241 /nfs/dbraw/zinc/98/22/41/634982241.db2.gz QCJKEUSEDVSSQW-HZSPNIEDSA-N 1 2 291.395 2.005 20 30 CEEDLO CCn1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000903264830 635035545 /nfs/dbraw/zinc/03/55/45/635035545.db2.gz WOANJGBKNOPFPX-VIFPVBQESA-N 1 2 261.354 2.082 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)o1 ZINC000824805102 635500401 /nfs/dbraw/zinc/50/04/01/635500401.db2.gz FDFCSORCEWMMJQ-UHFFFAOYSA-N 1 2 286.310 2.008 20 30 CEEDLO Cc1[nH]c(/C=C/C(=O)c2cn3c(n2)CCCC3)[nH+]c1C ZINC000905075675 635814460 /nfs/dbraw/zinc/81/44/60/635814460.db2.gz YGBVAOBUDZEUBT-VOTSOKGWSA-N 1 2 270.336 2.455 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000826729341 635830760 /nfs/dbraw/zinc/83/07/60/635830760.db2.gz HJHQUILCJZLLKK-HNNXBMFYSA-N 1 2 283.375 2.373 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000826729341 635830763 /nfs/dbraw/zinc/83/07/63/635830763.db2.gz HJHQUILCJZLLKK-HNNXBMFYSA-N 1 2 283.375 2.373 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000827057204 636201675 /nfs/dbraw/zinc/20/16/75/636201675.db2.gz YOAJNWHQFDHNBK-NSHDSACASA-N 1 2 253.305 2.048 20 30 CEEDLO C#CC[N@H+](CN1C[C@@](C)(c2ccccc2F)C1=O)C(C)C ZINC000905750203 636411377 /nfs/dbraw/zinc/41/13/77/636411377.db2.gz VWXONOIYFHDFOH-KRWDZBQOSA-N 1 2 288.366 2.227 20 30 CEEDLO C#CC[N@@H+](CN1C[C@@](C)(c2ccccc2F)C1=O)C(C)C ZINC000905750203 636411378 /nfs/dbraw/zinc/41/13/78/636411378.db2.gz VWXONOIYFHDFOH-KRWDZBQOSA-N 1 2 288.366 2.227 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccncc1 ZINC000827862745 636445694 /nfs/dbraw/zinc/44/56/94/636445694.db2.gz ONMNHAYMMLKXTA-RBSFLKMASA-N 1 2 296.374 2.352 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)C(=O)OC ZINC000905762737 636449274 /nfs/dbraw/zinc/44/92/74/636449274.db2.gz KIPLTVDLAGZEEP-KBPBESRZSA-N 1 2 291.395 2.029 20 30 CEEDLO C=CC[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)C(=O)OC ZINC000905765507 636451933 /nfs/dbraw/zinc/45/19/33/636451933.db2.gz OZGKZEZIAAUGDJ-UYSNPLJNSA-N 1 2 289.375 2.442 20 30 CEEDLO C=CC[C@H]([NH2+]CCCc1cccc(C)n1)C(=O)OC ZINC000905767954 636454143 /nfs/dbraw/zinc/45/41/43/636454143.db2.gz QUKXHPGUTZZFGC-AWEZNQCLSA-N 1 2 262.353 2.030 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906884396 636888421 /nfs/dbraw/zinc/88/84/21/636888421.db2.gz WUJSHJJDXVIDEC-KOHJWAIASA-N 1 2 272.352 2.054 20 30 CEEDLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc(C)c1C#N ZINC000908133496 637244787 /nfs/dbraw/zinc/24/47/87/637244787.db2.gz DEJRLGQQPAELMO-CQSZACIVSA-N 1 2 294.358 2.116 20 30 CEEDLO CC#CC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000831872959 637452145 /nfs/dbraw/zinc/45/21/45/637452145.db2.gz HKFXHHJLEWRXJO-MRXNPFEDSA-N 1 2 288.366 2.444 20 30 CEEDLO C=CC(C)(C)CCCNC(=O)CCc1c[nH+]cn1C ZINC000832718700 637651722 /nfs/dbraw/zinc/65/17/22/637651722.db2.gz ONFZKZGEXRBTTO-UHFFFAOYSA-N 1 2 263.385 2.461 20 30 CEEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000876667111 650389614 /nfs/dbraw/zinc/38/96/14/650389614.db2.gz UBXULZMCHNHKOF-WCQYABFASA-N 1 2 290.367 2.260 20 30 CEEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000876667111 650389615 /nfs/dbraw/zinc/38/96/15/650389615.db2.gz UBXULZMCHNHKOF-WCQYABFASA-N 1 2 290.367 2.260 20 30 CEEDLO Cc1c(Cl)cccc1C[NH+]1CCN(CC#N)CC1 ZINC000876677058 650395160 /nfs/dbraw/zinc/39/51/60/650395160.db2.gz GLAZZDOVMDKMJR-UHFFFAOYSA-N 1 2 263.772 2.290 20 30 CEEDLO C#CCO[C@@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000835345121 638203214 /nfs/dbraw/zinc/20/32/14/638203214.db2.gz CKJWGMZAIYKHHB-AWEZNQCLSA-N 1 2 298.342 2.262 20 30 CEEDLO C=C1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000912446833 638696334 /nfs/dbraw/zinc/69/63/34/638696334.db2.gz WTBLCDASJHZJSK-UHFFFAOYSA-N 1 2 282.347 2.007 20 30 CEEDLO CC(C)(CNC(=O)c1ccc(F)c(C#N)c1)n1cc[nH+]c1 ZINC000912614987 638744817 /nfs/dbraw/zinc/74/48/17/638744817.db2.gz GLMDTWRHXZJWJE-UHFFFAOYSA-N 1 2 286.310 2.059 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000837586153 639295245 /nfs/dbraw/zinc/29/52/45/639295245.db2.gz YAHQHAQDTYTERY-CQSZACIVSA-N 1 2 272.348 2.111 20 30 CEEDLO N#CCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000157984671 639557308 /nfs/dbraw/zinc/55/73/08/639557308.db2.gz WJCMSCRNTIVGFT-HZPDHXFCSA-N 1 2 274.364 2.115 20 30 CEEDLO N#CCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000157984671 639557314 /nfs/dbraw/zinc/55/73/14/639557314.db2.gz WJCMSCRNTIVGFT-HZPDHXFCSA-N 1 2 274.364 2.115 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001007105667 640030826 /nfs/dbraw/zinc/03/08/26/640030826.db2.gz KFCRNHPQDINFMU-CYBMUJFWSA-N 1 2 268.788 2.430 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001007105667 640030845 /nfs/dbraw/zinc/03/08/45/640030845.db2.gz KFCRNHPQDINFMU-CYBMUJFWSA-N 1 2 268.788 2.430 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)CC)[C@@H]1C ZINC000992931500 640373961 /nfs/dbraw/zinc/37/39/61/640373961.db2.gz QZKPPLSQFYGCBT-WDEREUQCSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)CC)[C@@H]1C ZINC000992931500 640373964 /nfs/dbraw/zinc/37/39/64/640373964.db2.gz QZKPPLSQFYGCBT-WDEREUQCSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001015536870 640438739 /nfs/dbraw/zinc/43/87/39/640438739.db2.gz PSBKEESAOUVWJA-LLVKDONJSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001015536870 640438741 /nfs/dbraw/zinc/43/87/41/640438741.db2.gz PSBKEESAOUVWJA-LLVKDONJSA-N 1 2 256.777 2.120 20 30 CEEDLO C#CC[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000844000785 640575042 /nfs/dbraw/zinc/57/50/42/640575042.db2.gz ZHYWAKUBAUXDIY-AWEZNQCLSA-N 1 2 294.358 2.143 20 30 CEEDLO CCCCN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000915970002 640711194 /nfs/dbraw/zinc/71/11/94/640711194.db2.gz SISZHEOBSOYYOI-UHFFFAOYSA-N 1 2 296.806 2.036 20 30 CEEDLO CC(=O)Nc1cccc(C(=O)/C=C\c2[nH]cc[nH+]2)c1 ZINC000920241606 641131629 /nfs/dbraw/zinc/13/16/29/641131629.db2.gz SMWNAKHRAQEFEI-WAYWQWQTSA-N 1 2 255.277 2.264 20 30 CEEDLO COc1ccccc1OCCO[NH+]=C(N)c1ccccc1 ZINC000181487146 641558301 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C=C(Br)C[N@@H+](CCO)CCc1ccccc1 ZINC000112731475 644192551 /nfs/dbraw/zinc/19/25/51/644192551.db2.gz NYWZLLJDDVMOQI-UHFFFAOYSA-N 1 2 284.197 2.432 20 30 CEEDLO CN(C)c1cc(COC(=O)c2cc(C#N)cs2)cc[nH+]1 ZINC000755888162 644575849 /nfs/dbraw/zinc/57/58/49/644575849.db2.gz GXHPSGKVOIXZCX-UHFFFAOYSA-N 1 2 287.344 2.438 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000877942858 650954315 /nfs/dbraw/zinc/95/43/15/650954315.db2.gz RWDLNMXTJJTRNM-ZDUSSCGKSA-N 1 2 291.347 2.007 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000877942858 650954317 /nfs/dbraw/zinc/95/43/17/650954317.db2.gz RWDLNMXTJJTRNM-ZDUSSCGKSA-N 1 2 291.347 2.007 20 30 CEEDLO C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000757830492 644850133 /nfs/dbraw/zinc/85/01/33/644850133.db2.gz JGUMZBSEONFNHO-LBPRGKRZSA-N 1 2 264.344 2.500 20 30 CEEDLO CC#CCCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000760282744 645132156 /nfs/dbraw/zinc/13/21/56/645132156.db2.gz CGVFBBGLSYGDSQ-AWEZNQCLSA-N 1 2 271.360 2.390 20 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OVAYPCBZHUCTJP-JTQLQIEISA-N 1 2 287.319 2.316 20 30 CEEDLO N#Cc1ccccc1/C=C/C(=O)OCCn1cc[nH+]c1 ZINC000771898082 646567104 /nfs/dbraw/zinc/56/71/04/646567104.db2.gz LZRZQPYXHDVFKZ-AATRIKPKSA-N 1 2 267.288 2.011 20 30 CEEDLO CN(C)c1cc(F)c(C=[NH+]N[C@H]2CCSC2)cc1F ZINC000863112545 646639783 /nfs/dbraw/zinc/63/97/83/646639783.db2.gz FEGJMYLBKAONLL-JTQLQIEISA-N 1 2 285.363 2.460 20 30 CEEDLO CC[C@H]1CC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336946 646706678 /nfs/dbraw/zinc/70/66/78/646706678.db2.gz YNOJBFBGGUGIIK-AWEZNQCLSA-N 1 2 297.402 2.327 20 30 CEEDLO CC[C@H]1CC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336946 646706680 /nfs/dbraw/zinc/70/66/80/646706680.db2.gz YNOJBFBGGUGIIK-AWEZNQCLSA-N 1 2 297.402 2.327 20 30 CEEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000773597195 646761363 /nfs/dbraw/zinc/76/13/63/646761363.db2.gz GRSPXAYPRQCMPO-BSDKJSHOSA-N 1 2 297.402 2.049 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccc(C#N)c1F ZINC000774959445 646911256 /nfs/dbraw/zinc/91/12/56/646911256.db2.gz IGSORDOBOLKHEC-CYBMUJFWSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cccc(C#N)c1F ZINC000774959445 646911260 /nfs/dbraw/zinc/91/12/60/646911260.db2.gz IGSORDOBOLKHEC-CYBMUJFWSA-N 1 2 276.311 2.225 20 30 CEEDLO CC(C)OCCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000778551341 647242275 /nfs/dbraw/zinc/24/22/75/647242275.db2.gz YBAARCIEFKBQHW-UHFFFAOYSA-N 1 2 276.384 2.052 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375475 647264969 /nfs/dbraw/zinc/26/49/69/647264969.db2.gz VZXXINSTCLBVFB-OAHLLOKOSA-N 1 2 276.384 2.235 20 30 CEEDLO CC(C)(C)c1cn(CC(=O)NCc2ccc(C#N)cc2)c[nH+]1 ZINC000865375933 647265049 /nfs/dbraw/zinc/26/50/49/647265049.db2.gz RFMBVVUVVGLNQB-UHFFFAOYSA-N 1 2 296.374 2.369 20 30 CEEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000779878237 647368026 /nfs/dbraw/zinc/36/80/26/647368026.db2.gz CDTDHFWECSZHLH-KGLIPLIRSA-N 1 2 275.396 2.361 20 30 CEEDLO CC(C)c1nnc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)[nH]1 ZINC000865584399 647371909 /nfs/dbraw/zinc/37/19/09/647371909.db2.gz QUNFSZYDAKAJJQ-UHFFFAOYSA-N 1 2 298.394 2.156 20 30 CEEDLO C#CCOc1ccc(C[NH2+]Cc2nnc(C)s2)cc1 ZINC000780002612 647381075 /nfs/dbraw/zinc/38/10/75/647381075.db2.gz ZORVQZNENCDFHW-UHFFFAOYSA-N 1 2 273.361 2.148 20 30 CEEDLO CC(=NN[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000780258588 647406546 /nfs/dbraw/zinc/40/65/46/647406546.db2.gz SDHWFGMMJRVJFY-HNNXBMFYSA-N 1 2 284.363 2.365 20 30 CEEDLO C[N@@H+]1CCCC(N=Nc2ncncc2Cl)CC1 ZINC000780281732 647410567 /nfs/dbraw/zinc/41/05/67/647410567.db2.gz RTVZJGJYKVMXOH-UHFFFAOYSA-N 1 2 253.737 2.014 20 30 CEEDLO C[N@H+]1CCCC(N=Nc2ncncc2Cl)CC1 ZINC000780281732 647410568 /nfs/dbraw/zinc/41/05/68/647410568.db2.gz RTVZJGJYKVMXOH-UHFFFAOYSA-N 1 2 253.737 2.014 20 30 CEEDLO C=CC[C@H](CO)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865677022 647419121 /nfs/dbraw/zinc/41/91/21/647419121.db2.gz RKWCKXQSQJGYFB-CQSZACIVSA-N 1 2 284.363 2.438 20 30 CEEDLO C=CC[C@H](CO)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865677022 647419124 /nfs/dbraw/zinc/41/91/24/647419124.db2.gz RKWCKXQSQJGYFB-CQSZACIVSA-N 1 2 284.363 2.438 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928476 647539460 /nfs/dbraw/zinc/53/94/60/647539460.db2.gz YXEPKSLPSCCARK-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928476 647539467 /nfs/dbraw/zinc/53/94/67/647539467.db2.gz YXEPKSLPSCCARK-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000782543530 647635997 /nfs/dbraw/zinc/63/59/97/647635997.db2.gz LTUJOBDGOXHTKA-DOTOQJQBSA-N 1 2 299.349 2.282 20 30 CEEDLO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214948 647675358 /nfs/dbraw/zinc/67/53/58/647675358.db2.gz FSDWSOOWYUXLIX-TZMCWYRMSA-N 1 2 273.380 2.399 20 30 CEEDLO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866228281 647681539 /nfs/dbraw/zinc/68/15/39/647681539.db2.gz ZICUZMPRFXYZKS-WCQYABFASA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1O ZINC000866259176 647700076 /nfs/dbraw/zinc/70/00/76/647700076.db2.gz JDYGFHKNCKZROD-WCQYABFASA-N 1 2 271.364 2.151 20 30 CEEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C[C@H](C)O ZINC000866269047 647707295 /nfs/dbraw/zinc/70/72/95/647707295.db2.gz AERWSVKXZYCKHK-WOPDTQHZSA-N 1 2 262.353 2.321 20 30 CEEDLO CC[C@H](CCO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866280844 647715241 /nfs/dbraw/zinc/71/52/41/647715241.db2.gz DETDHCVFVPRRCE-VXGBXAGGSA-N 1 2 262.353 2.323 20 30 CEEDLO CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866280840 647715586 /nfs/dbraw/zinc/71/55/86/647715586.db2.gz DETDHCVFVPRRCE-NEPJUHHUSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(C#N)c1O ZINC000866285811 647717468 /nfs/dbraw/zinc/71/74/68/647717468.db2.gz RHAYJLCELYSEDG-OBJOEFQTSA-N 1 2 274.364 2.466 20 30 CEEDLO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866311132 647730975 /nfs/dbraw/zinc/73/09/75/647730975.db2.gz QUTCCPXSSWLQAJ-LBPRGKRZSA-N 1 2 289.379 2.077 20 30 CEEDLO C[C@@H]([NH2+]CC1(CO)CCC1)c1cccc(C#N)c1O ZINC000866338876 647743780 /nfs/dbraw/zinc/74/37/80/647743780.db2.gz ZKHRCRBGVHIFMG-LLVKDONJSA-N 1 2 260.337 2.077 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc(C#N)c1O ZINC000866343384 647746325 /nfs/dbraw/zinc/74/63/25/647746325.db2.gz JMUPRVZTHYTCIW-HUBLWGQQSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cccc(C#N)c1O ZINC000866387144 647768536 /nfs/dbraw/zinc/76/85/36/647768536.db2.gz OURRACUFFJSMLY-NRUUGDAUSA-N 1 2 283.335 2.212 20 30 CEEDLO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cccc(C#N)c1O ZINC000866445911 647790168 /nfs/dbraw/zinc/79/01/68/647790168.db2.gz NJZSBGNUOCWLCE-CUDJFWGLSA-N 1 2 284.359 2.338 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000784454351 647851462 /nfs/dbraw/zinc/85/14/62/647851462.db2.gz PRNYIZAGHXAQPA-HZPDHXFCSA-N 1 2 269.348 2.217 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000784454351 647851466 /nfs/dbraw/zinc/85/14/66/647851466.db2.gz PRNYIZAGHXAQPA-HZPDHXFCSA-N 1 2 269.348 2.217 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c(OC)c1 ZINC000793617202 648782563 /nfs/dbraw/zinc/78/25/63/648782563.db2.gz JNRFEZKRXYEZAX-KGLIPLIRSA-N 1 2 275.348 2.102 20 30 CEEDLO C=CCc1cc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c(OC)c1 ZINC000793617202 648782567 /nfs/dbraw/zinc/78/25/67/648782567.db2.gz JNRFEZKRXYEZAX-KGLIPLIRSA-N 1 2 275.348 2.102 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)OC ZINC000871921494 649217123 /nfs/dbraw/zinc/21/71/23/649217123.db2.gz ODMXLTVFQVXIRG-HBNTYKKESA-N 1 2 277.286 2.448 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000878500492 651114272 /nfs/dbraw/zinc/11/42/72/651114272.db2.gz HAJVDMDFWNUERM-PHIMTYICSA-N 1 2 261.287 2.489 20 30 CEEDLO C#CC[N@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000878500492 651114274 /nfs/dbraw/zinc/11/42/74/651114274.db2.gz HAJVDMDFWNUERM-PHIMTYICSA-N 1 2 261.287 2.489 20 30 CEEDLO CN(C)c1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)ccn1 ZINC000879311824 651282059 /nfs/dbraw/zinc/28/20/59/651282059.db2.gz WMSYYIDQJZUIHX-UONOGXRCSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ccn1 ZINC000879311824 651282060 /nfs/dbraw/zinc/28/20/60/651282060.db2.gz WMSYYIDQJZUIHX-UONOGXRCSA-N 1 2 258.369 2.272 20 30 CEEDLO CCOCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000127802175 651315370 /nfs/dbraw/zinc/31/53/70/651315370.db2.gz KHOPOGRFQSTDOP-UHFFFAOYSA-N 1 2 256.733 2.208 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC=C[C@H]2CO)c(C(F)(F)F)c1 ZINC000880494771 651450401 /nfs/dbraw/zinc/45/04/01/651450401.db2.gz SGRZDDGXFWDIBU-LBPRGKRZSA-N 1 2 282.265 2.310 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC=C[C@H]2CO)c(C(F)(F)F)c1 ZINC000880494771 651450402 /nfs/dbraw/zinc/45/04/02/651450402.db2.gz SGRZDDGXFWDIBU-LBPRGKRZSA-N 1 2 282.265 2.310 20 30 CEEDLO C#CC1(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC000882535359 652126337 /nfs/dbraw/zinc/12/63/37/652126337.db2.gz VDBGXTOSWDTEPL-UHFFFAOYSA-N 1 2 281.359 2.247 20 30 CEEDLO N#CCCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871918 652242745 /nfs/dbraw/zinc/24/27/45/652242745.db2.gz RKTRKOHVNGHFAJ-HNNXBMFYSA-N 1 2 282.347 2.434 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCC[C@@H](O)C(C)C)ccc1F ZINC000882959484 652290335 /nfs/dbraw/zinc/29/03/35/652290335.db2.gz HMLFBSYTOUSIAT-CYBMUJFWSA-N 1 2 268.332 2.178 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C2CC2)CC1=O ZINC000134745673 652871617 /nfs/dbraw/zinc/87/16/17/652871617.db2.gz KUQJFIXHRLKVLR-MRXNPFEDSA-N 1 2 283.375 2.206 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C2CC2)CC1=O ZINC000134745673 652871620 /nfs/dbraw/zinc/87/16/20/652871620.db2.gz KUQJFIXHRLKVLR-MRXNPFEDSA-N 1 2 283.375 2.206 20 30 CEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029323294 805676583 /nfs/dbraw/zinc/67/65/83/805676583.db2.gz XAGYJNNKJXQOSW-TXEJJXNPSA-N 1 2 288.794 2.410 20 30 CEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029323294 805676591 /nfs/dbraw/zinc/67/65/91/805676591.db2.gz XAGYJNNKJXQOSW-TXEJJXNPSA-N 1 2 288.794 2.410 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H]1CC ZINC001087549904 805733038 /nfs/dbraw/zinc/73/30/38/805733038.db2.gz YAADAXLDYJEAJA-WCQYABFASA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H]1CC ZINC001087549904 805733043 /nfs/dbraw/zinc/73/30/43/805733043.db2.gz YAADAXLDYJEAJA-WCQYABFASA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001042577396 806068862 /nfs/dbraw/zinc/06/88/62/806068862.db2.gz UUYROJCPBPMHFV-FICVDOATSA-N 1 2 262.397 2.141 20 30 CEEDLO C=CCCC(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001126859146 806725720 /nfs/dbraw/zinc/72/57/20/806725720.db2.gz IDAVJUKPTOZYJA-UHFFFAOYSA-N 1 2 274.368 2.153 20 30 CEEDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)ncc1C#N ZINC001167124110 802512192 /nfs/dbraw/zinc/51/21/92/802512192.db2.gz VVOIUNNCGCMNJL-UHFFFAOYSA-N 1 2 267.336 2.300 20 30 CEEDLO C#Cc1cc(Nc2cncc(N3CCCC3)c2)cc[nH+]1 ZINC001210606159 802717626 /nfs/dbraw/zinc/71/76/26/802717626.db2.gz RUTYZJCUYLRWMB-UHFFFAOYSA-N 1 2 264.332 2.224 20 30 CEEDLO C=C(C)CCC(=O)NCC[N@H+](Cc1conc1C)C1CC1 ZINC001266594724 802754244 /nfs/dbraw/zinc/75/42/44/802754244.db2.gz QGVUKSHTIGFDCT-UHFFFAOYSA-N 1 2 291.395 2.420 20 30 CEEDLO C=C(C)CCC(=O)NCC[N@@H+](Cc1conc1C)C1CC1 ZINC001266594724 802754246 /nfs/dbraw/zinc/75/42/46/802754246.db2.gz QGVUKSHTIGFDCT-UHFFFAOYSA-N 1 2 291.395 2.420 20 30 CEEDLO COc1nc(C)c(NCc2cc[nH+]c(N)c2)c(C)c1C#N ZINC001167617280 803204654 /nfs/dbraw/zinc/20/46/54/803204654.db2.gz KEHVDYQIWMPRDQ-UHFFFAOYSA-N 1 2 283.335 2.168 20 30 CEEDLO N#Cc1cccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c1 ZINC001211580166 803298852 /nfs/dbraw/zinc/29/88/52/803298852.db2.gz OGERLXCZXLNCCZ-NSHDSACASA-N 1 2 290.273 2.320 20 30 CEEDLO N#Cc1cccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c1 ZINC001211580165 803299001 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CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CCC)C1 ZINC001108308745 811221620 /nfs/dbraw/zinc/22/16/20/811221620.db2.gz KXBZFLMDRDGHIR-NVXWUHKLSA-N 1 2 294.439 2.043 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@@H](C)CCCC#N)[C@@H](C)OC(C)(C)C ZINC001172483507 815434917 /nfs/dbraw/zinc/43/49/17/815434917.db2.gz RMXPSTHJNDVENY-XQQFMLRXSA-N 1 2 284.400 2.404 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)oc2C)C1 ZINC001042466023 811295123 /nfs/dbraw/zinc/29/51/23/811295123.db2.gz FKVLGXRFBJHKAL-UHFFFAOYSA-N 1 2 262.353 2.229 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cscc2C(F)F)C1 ZINC001042733898 811324906 /nfs/dbraw/zinc/32/49/06/811324906.db2.gz YQSQHMUHYCVCOZ-UHFFFAOYSA-N 1 2 298.358 2.465 20 30 CEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000696 811328996 /nfs/dbraw/zinc/32/89/96/811328996.db2.gz AFSCMZXWFUNHAS-FRRDWIJNSA-N 1 2 253.346 2.350 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001042818657 811330130 /nfs/dbraw/zinc/33/01/30/811330130.db2.gz DIFJRKDIYBXHBG-ZDUSSCGKSA-N 1 2 290.411 2.186 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2c(C)cc3ccccc32)C1 ZINC001043259994 811361233 /nfs/dbraw/zinc/36/12/33/811361233.db2.gz JTSBSFNNGFHACU-UHFFFAOYSA-N 1 2 297.402 2.278 20 30 CEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CC(=C)C)C2)cc1 ZINC001043505391 811382861 /nfs/dbraw/zinc/38/28/61/811382861.db2.gz OWSHZJZXOHNCEZ-UHFFFAOYSA-N 1 2 268.360 2.000 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OC)cc2C)C1 ZINC001043710929 811399144 /nfs/dbraw/zinc/39/91/44/811399144.db2.gz AQBMCVXLLNIMRB-UHFFFAOYSA-N 1 2 288.391 2.336 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCO[C@@H](CC)C2)C1 ZINC001044154615 811446678 /nfs/dbraw/zinc/44/66/78/811446678.db2.gz YFDVRVLNUKNQBF-HOCLYGCPSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001044170979 811449922 /nfs/dbraw/zinc/44/99/22/811449922.db2.gz ZZIAFUKDYWVPSG-UHFFFAOYSA-N 1 2 290.411 2.040 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCC=CCC2)C1 ZINC001044305288 811468748 /nfs/dbraw/zinc/46/87/48/811468748.db2.gz JMJHHSOLZZVCNS-UHFFFAOYSA-N 1 2 262.397 2.452 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001044310306 811468769 /nfs/dbraw/zinc/46/87/69/811468769.db2.gz SMFJHJLVSSMCMD-UHFFFAOYSA-N 1 2 276.355 2.385 20 30 CEEDLO N#CCc1ccc[nH+]c1NCC1CCC2(CCC(=O)N2)CC1 ZINC001169289704 811474366 /nfs/dbraw/zinc/47/43/66/811474366.db2.gz MLJHIPAYCSYYPC-UHFFFAOYSA-N 1 2 298.390 2.399 20 30 CEEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169905521 811707400 /nfs/dbraw/zinc/70/74/00/811707400.db2.gz OIPHTEXLOXNQDS-STQMWFEESA-N 1 2 252.358 2.200 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc[nH]c2C)C1 ZINC001046228913 811716439 /nfs/dbraw/zinc/71/64/39/811716439.db2.gz JYSLIWYSTNAUPG-AWEZNQCLSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc[nH]c2C)C1 ZINC001046228913 811716440 /nfs/dbraw/zinc/71/64/40/811716440.db2.gz JYSLIWYSTNAUPG-AWEZNQCLSA-N 1 2 281.787 2.270 20 30 CEEDLO N#C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169954498 811725491 /nfs/dbraw/zinc/72/54/91/811725491.db2.gz BKIHNRKIVXMIJD-OLZOCXBDSA-N 1 2 250.342 2.050 20 30 CEEDLO N#C[C@@H]1CCCC[N@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169954498 811725496 /nfs/dbraw/zinc/72/54/96/811725496.db2.gz BKIHNRKIVXMIJD-OLZOCXBDSA-N 1 2 250.342 2.050 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108652340 811743729 /nfs/dbraw/zinc/74/37/29/811743729.db2.gz YBCUXSIUEJGYTP-NSHDSACASA-N 1 2 276.384 2.304 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2onc(C)c2C)C1 ZINC001046408053 811751702 /nfs/dbraw/zinc/75/17/02/811751702.db2.gz RCEDDBOKCNZELM-AWEZNQCLSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2onc(C)c2C)C1 ZINC001046408053 811751706 /nfs/dbraw/zinc/75/17/06/811751706.db2.gz RCEDDBOKCNZELM-AWEZNQCLSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2conc2CC)C1 ZINC001046599514 811783833 /nfs/dbraw/zinc/78/38/33/811783833.db2.gz WROUUSCKQMHQMX-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2conc2CC)C1 ZINC001046599514 811783836 /nfs/dbraw/zinc/78/38/36/811783836.db2.gz WROUUSCKQMHQMX-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC23CC3)C1 ZINC001046651902 811793087 /nfs/dbraw/zinc/79/30/87/811793087.db2.gz DHLQOUXDWRTSHL-DGCLKSJQSA-N 1 2 268.788 2.120 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC23CC3)C1 ZINC001046651902 811793092 /nfs/dbraw/zinc/79/30/92/811793092.db2.gz DHLQOUXDWRTSHL-DGCLKSJQSA-N 1 2 268.788 2.120 20 30 CEEDLO C=C(C)CCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109915426 811969901 /nfs/dbraw/zinc/96/99/01/811969901.db2.gz BKURBJFIXIJRBW-CQSZACIVSA-N 1 2 288.395 2.448 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096470967 812070912 /nfs/dbraw/zinc/07/09/12/812070912.db2.gz FDXZOJWDGXJQCY-GXTWGEPZSA-N 1 2 288.395 2.082 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCO[C@@H](C)CC(C)C)CC1 ZINC001112837563 812083263 /nfs/dbraw/zinc/08/32/63/812083263.db2.gz MORMEESIMAJEHX-HNNXBMFYSA-N 1 2 282.428 2.158 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCCCCCC)CC1 ZINC001112850679 812086393 /nfs/dbraw/zinc/08/63/93/812086393.db2.gz AQULCZRXWHMUTE-HNNXBMFYSA-N 1 2 282.428 2.302 20 30 CEEDLO C=CCCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001112995906 812137227 /nfs/dbraw/zinc/13/72/27/812137227.db2.gz IIMSBRMQHHGVOZ-GHMZBOCLSA-N 1 2 262.357 2.056 20 30 CEEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001113003449 812137549 /nfs/dbraw/zinc/13/75/49/812137549.db2.gz BFHIAOCCOQMEIP-NWDGAFQWSA-N 1 2 288.395 2.140 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113184466 812179151 /nfs/dbraw/zinc/17/91/51/812179151.db2.gz HTQFOXOZRLUPQC-UHFFFAOYSA-N 1 2 294.439 2.160 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113389917 812231745 /nfs/dbraw/zinc/23/17/45/812231745.db2.gz YHMTZCRMICNUNW-UHFFFAOYSA-N 1 2 296.455 2.406 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCCc2cccs2)CC1 ZINC001113614360 812290777 /nfs/dbraw/zinc/29/07/77/812290777.db2.gz AUNPVVPZDQIPBC-UHFFFAOYSA-N 1 2 290.432 2.238 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097089222 812324253 /nfs/dbraw/zinc/32/42/53/812324253.db2.gz SZERJWXFPDFNQK-IHRRRGAJSA-N 1 2 288.395 2.446 20 30 CEEDLO C[C@@H](Cc1ccccc1Cl)N1CC[NH2+]C[C@H]1C#N ZINC001170276449 812369447 /nfs/dbraw/zinc/36/94/47/812369447.db2.gz NPQSFLOBIOMBGK-WCQYABFASA-N 1 2 263.772 2.068 20 30 CEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCCCC1)O2 ZINC001053556960 812506715 /nfs/dbraw/zinc/50/67/15/812506715.db2.gz WJKZXJPDPGJIIW-HNNXBMFYSA-N 1 2 292.423 2.102 20 30 CEEDLO Cc1c(CN2CCC[C@@H](C#N)C2)[nH+]c2ccccn12 ZINC001137273829 812566071 /nfs/dbraw/zinc/56/60/71/812566071.db2.gz UTUGNDFGRGWBLY-ZDUSSCGKSA-N 1 2 254.337 2.378 20 30 CEEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170507543 812591890 /nfs/dbraw/zinc/59/18/90/812591890.db2.gz CNTQLNZZPMYDHW-MCIONIFRSA-N 1 2 297.395 2.062 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001132398713 812840130 /nfs/dbraw/zinc/84/01/30/812840130.db2.gz LWYSIXPAQNVAFB-UHFFFAOYSA-N 1 2 293.411 2.390 20 30 CEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001132576015 812897802 /nfs/dbraw/zinc/89/78/02/812897802.db2.gz GMNVXEUIJUCTLJ-STQMWFEESA-N 1 2 293.411 2.462 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001132653485 812914105 /nfs/dbraw/zinc/91/41/05/812914105.db2.gz MQDXGXRVRVJPAH-DGCLKSJQSA-N 1 2 279.384 2.352 20 30 CEEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001133157569 813000704 /nfs/dbraw/zinc/00/07/04/813000704.db2.gz LUIVHTHVCALPIL-NSHDSACASA-N 1 2 292.383 2.070 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC2)CC[C@H]1C ZINC001071292163 813349770 /nfs/dbraw/zinc/34/97/70/813349770.db2.gz VOVQOKDFRGCEFW-PWSUYJOCSA-N 1 2 256.777 2.118 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC2)CC[C@H]1C ZINC001071292163 813349778 /nfs/dbraw/zinc/34/97/78/813349778.db2.gz VOVQOKDFRGCEFW-PWSUYJOCSA-N 1 2 256.777 2.118 20 30 CEEDLO C=C/C=C/CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001135336450 813411466 /nfs/dbraw/zinc/41/14/66/813411466.db2.gz YDVOHGLFUGUWPT-ONEGZZNKSA-N 1 2 295.386 2.335 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C#N)c1 ZINC001135495316 813449205 /nfs/dbraw/zinc/44/92/05/813449205.db2.gz XXKAHQZMXJNAKH-SNVBAGLBSA-N 1 2 254.293 2.099 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC001135495316 813449208 /nfs/dbraw/zinc/44/92/08/813449208.db2.gz XXKAHQZMXJNAKH-SNVBAGLBSA-N 1 2 254.293 2.099 20 30 CEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cncc(C)c2)cc1 ZINC001170984604 813719464 /nfs/dbraw/zinc/71/94/64/813719464.db2.gz CQWFFMYAIVJXEJ-UHFFFAOYSA-N 1 2 269.304 2.214 20 30 CEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc3cc[nH]c3c2)cc1 ZINC001170985320 813721294 /nfs/dbraw/zinc/72/12/94/813721294.db2.gz QNLJYRLGRCVARE-UHFFFAOYSA-N 1 2 294.314 2.387 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CO)C1 ZINC001143716024 813863598 /nfs/dbraw/zinc/86/35/98/813863598.db2.gz ALHMMMODXLLCIK-LLVKDONJSA-N 1 2 264.756 2.416 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC001143716024 813863607 /nfs/dbraw/zinc/86/36/07/813863607.db2.gz ALHMMMODXLLCIK-LLVKDONJSA-N 1 2 264.756 2.416 20 30 CEEDLO C=CC[C@H](C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001144027233 813934946 /nfs/dbraw/zinc/93/49/46/813934946.db2.gz PDJLGPKOWWSJHX-JTQLQIEISA-N 1 2 267.398 2.280 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC001144292463 814019997 /nfs/dbraw/zinc/01/99/97/814019997.db2.gz GSLLRFJXSRUHFX-QLFBSQMISA-N 1 2 262.397 2.143 20 30 CEEDLO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171179620 814060857 /nfs/dbraw/zinc/06/08/57/814060857.db2.gz VDVNFXOFXJQLON-SMDDNHRTSA-N 1 2 260.337 2.030 20 30 CEEDLO CCC[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171191817 814082446 /nfs/dbraw/zinc/08/24/46/814082446.db2.gz GFUVENHOQOWNTG-WFASDCNBSA-N 1 2 274.364 2.421 20 30 CEEDLO CCC[C@@H](Cc1ccccc1)N1CC[NH2+]C[C@H]1C#N ZINC001246592885 814184681 /nfs/dbraw/zinc/18/46/81/814184681.db2.gz LWZPFXTZEXNWAH-JKSUJKDBSA-N 1 2 257.381 2.195 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091495971 814254287 /nfs/dbraw/zinc/25/42/87/814254287.db2.gz POMDKIDMXYXLDV-JOCQHMNTSA-N 1 2 288.395 2.304 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000586073951 814658651 /nfs/dbraw/zinc/65/86/51/814658651.db2.gz ZAPLKWSXQVMFIJ-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000586073951 814658657 /nfs/dbraw/zinc/65/86/57/814658657.db2.gz ZAPLKWSXQVMFIJ-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1O ZINC001204112078 815605884 /nfs/dbraw/zinc/60/58/84/815605884.db2.gz IHNRCZQYJCJOCW-CQSZACIVSA-N 1 2 291.372 2.175 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095074628 815635253 /nfs/dbraw/zinc/63/52/53/815635253.db2.gz ROYXDZUPCHSTRQ-GXTWGEPZSA-N 1 2 288.395 2.400 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cccc(OC(C)(C)C)n2)CC1 ZINC001138283773 815759183 /nfs/dbraw/zinc/75/91/83/815759183.db2.gz IXXDLJISWWTHKW-UHFFFAOYSA-N 1 2 287.407 2.010 20 30 CEEDLO N#C[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC001138563381 815830179 /nfs/dbraw/zinc/83/01/79/815830179.db2.gz LOWWLKPAWWSSGQ-HNNXBMFYSA-N 1 2 266.348 2.277 20 30 CEEDLO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001138576875 815833371 /nfs/dbraw/zinc/83/33/71/815833371.db2.gz GBJOHEVFGOVURU-LBPRGKRZSA-N 1 2 291.420 2.481 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccccc2OCC(=C)C)CC1 ZINC001138665708 815864320 /nfs/dbraw/zinc/86/43/20/815864320.db2.gz VANMHXHMISXGFL-UHFFFAOYSA-N 1 2 284.403 2.392 20 30 CEEDLO CCC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138966809 815938224 /nfs/dbraw/zinc/93/82/24/815938224.db2.gz UEZPINGWUKXQET-ZDUSSCGKSA-N 1 2 258.321 2.347 20 30 CEEDLO CCC(=O)Oc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138966809 815938227 /nfs/dbraw/zinc/93/82/27/815938227.db2.gz UEZPINGWUKXQET-ZDUSSCGKSA-N 1 2 258.321 2.347 20 30 CEEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001139292104 816002045 /nfs/dbraw/zinc/00/20/45/816002045.db2.gz SVVAYRKEEKTIQX-GFCCVEGCSA-N 1 2 291.420 2.055 20 30 CEEDLO N#C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001139292104 816002052 /nfs/dbraw/zinc/00/20/52/816002052.db2.gz SVVAYRKEEKTIQX-GFCCVEGCSA-N 1 2 291.420 2.055 20 30 CEEDLO Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1C#N ZINC001139726248 816097601 /nfs/dbraw/zinc/09/76/01/816097601.db2.gz CEFILHORWORXJV-HNNXBMFYSA-N 1 2 273.355 2.095 20 30 CEEDLO Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1C#N ZINC001139726248 816097607 /nfs/dbraw/zinc/09/76/07/816097607.db2.gz CEFILHORWORXJV-HNNXBMFYSA-N 1 2 273.355 2.095 20 30 CEEDLO N#Cc1cccc(N)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174978799 816123718 /nfs/dbraw/zinc/12/37/18/816123718.db2.gz CLPOUUQTZXGUIR-UHFFFAOYSA-N 1 2 295.346 2.116 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1)Cc1nccnc1N ZINC001140012125 816164418 /nfs/dbraw/zinc/16/44/18/816164418.db2.gz MTADWAKINZSFSZ-UHFFFAOYSA-N 1 2 254.337 2.247 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nccnc1N ZINC001140012125 816164423 /nfs/dbraw/zinc/16/44/23/816164423.db2.gz MTADWAKINZSFSZ-UHFFFAOYSA-N 1 2 254.337 2.247 20 30 CEEDLO C#Cc1cc(Nc2cnc(OCC)cc2C)cc[nH+]1 ZINC001203041152 816263727 /nfs/dbraw/zinc/26/37/27/816263727.db2.gz SPMYUJHBESXBQM-UHFFFAOYSA-N 1 2 253.305 2.331 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001140545380 816283194 /nfs/dbraw/zinc/28/31/94/816283194.db2.gz BVOBVOAHOLEWDH-UHFFFAOYSA-N 1 2 295.342 2.313 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001140545380 816283197 /nfs/dbraw/zinc/28/31/97/816283197.db2.gz BVOBVOAHOLEWDH-UHFFFAOYSA-N 1 2 295.342 2.313 20 30 CEEDLO COC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603333 816298055 /nfs/dbraw/zinc/29/80/55/816298055.db2.gz KBARBCMGYJCPCK-GFCCVEGCSA-N 1 2 250.729 2.432 20 30 CEEDLO COC[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603333 816298059 /nfs/dbraw/zinc/29/80/59/816298059.db2.gz KBARBCMGYJCPCK-GFCCVEGCSA-N 1 2 250.729 2.432 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2cc(C)cs2)CC1 ZINC001176168241 816359183 /nfs/dbraw/zinc/35/91/83/816359183.db2.gz BEPFFQZAPCFVIQ-UHFFFAOYSA-N 1 2 278.421 2.319 20 30 CEEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncco1)C2 ZINC001141008625 816440825 /nfs/dbraw/zinc/44/08/25/816440825.db2.gz GKCDJEJANOWNTG-HIFRSBDPSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncco1)C2 ZINC001141008625 816440827 /nfs/dbraw/zinc/44/08/27/816440827.db2.gz GKCDJEJANOWNTG-HIFRSBDPSA-N 1 2 278.352 2.001 20 30 CEEDLO N#Cc1c(N)sc(C[N@@H+]2CCCOCC2)c1Cl ZINC001141108734 816474945 /nfs/dbraw/zinc/47/49/45/816474945.db2.gz FUEFUCSMXLCWOH-UHFFFAOYSA-N 1 2 271.773 2.078 20 30 CEEDLO N#Cc1c(N)sc(C[N@H+]2CCCOCC2)c1Cl ZINC001141108734 816474950 /nfs/dbraw/zinc/47/49/50/816474950.db2.gz FUEFUCSMXLCWOH-UHFFFAOYSA-N 1 2 271.773 2.078 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@H]21 ZINC001176961558 816501641 /nfs/dbraw/zinc/50/16/41/816501641.db2.gz ARCLZDNUDVMNIP-JHSOUAKNSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@H]21 ZINC001176961558 816501645 /nfs/dbraw/zinc/50/16/45/816501645.db2.gz ARCLZDNUDVMNIP-JHSOUAKNSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1)Cc1cnc(C(=O)OC)cn1 ZINC001141830617 816592294 /nfs/dbraw/zinc/59/22/94/816592294.db2.gz XKAFYQBLMKIZID-UHFFFAOYSA-N 1 2 297.358 2.451 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(C(=O)OC)cn1 ZINC001141830617 816592295 /nfs/dbraw/zinc/59/22/95/816592295.db2.gz XKAFYQBLMKIZID-UHFFFAOYSA-N 1 2 297.358 2.451 20 30 CEEDLO C#CCO[C@@H](C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001142588646 816690278 /nfs/dbraw/zinc/69/02/78/816690278.db2.gz AMXCLYDDKARIDP-NSHDSACASA-N 1 2 269.304 2.054 20 30 CEEDLO COC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164462 816795319 /nfs/dbraw/zinc/79/53/19/816795319.db2.gz IQZFYXQNNGOHIZ-UHFFFAOYSA-N 1 2 266.291 2.447 20 30 CEEDLO C[C@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CC[C@H]1O ZINC001143165045 816796102 /nfs/dbraw/zinc/79/61/02/816796102.db2.gz STRJVLWJUFRKLU-TVQRCGJNSA-N 1 2 266.291 2.039 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CC[C@H]1O ZINC001143165045 816796105 /nfs/dbraw/zinc/79/61/05/816796105.db2.gz STRJVLWJUFRKLU-TVQRCGJNSA-N 1 2 266.291 2.039 20 30 CEEDLO C[C@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000601314700 346817567 /nfs/dbraw/zinc/81/75/67/346817567.db2.gz NYLYGJJGSSFNRT-KBPBESRZSA-N 1 2 298.390 2.377 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000121246263 365540845 /nfs/dbraw/zinc/54/08/45/365540845.db2.gz DXJFOMOPTRRMDX-UHFFFAOYSA-N 1 2 296.330 2.462 20 30 CEEDLO C=C(Br)C[N@H+](C)CCc1ccncc1 ZINC000121528541 365579762 /nfs/dbraw/zinc/57/97/62/365579762.db2.gz WPAALUQXVOHSBD-UHFFFAOYSA-N 1 2 255.159 2.465 20 30 CEEDLO C=C(Br)C[N@@H+](C)CCc1ccncc1 ZINC000121528541 365579763 /nfs/dbraw/zinc/57/97/63/365579763.db2.gz WPAALUQXVOHSBD-UHFFFAOYSA-N 1 2 255.159 2.465 20 30 CEEDLO C#CCSCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000121523848 365580025 /nfs/dbraw/zinc/58/00/25/365580025.db2.gz ANFLVIFZTUEJIT-GFCCVEGCSA-N 1 2 292.408 2.013 20 30 CEEDLO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1)C(=O)OC ZINC000035042546 361805943 /nfs/dbraw/zinc/80/59/43/361805943.db2.gz HEDQMKBFBWWYNL-RISCZKNCSA-N 1 2 260.337 2.236 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccon1 ZINC000350717384 219050773 /nfs/dbraw/zinc/05/07/73/219050773.db2.gz RPEZIEVORRTMQT-NHYWBVRUSA-N 1 2 296.330 2.002 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)CC2 ZINC000601713941 346886368 /nfs/dbraw/zinc/88/63/68/346886368.db2.gz RSYZROXDMQNTDE-GFCCVEGCSA-N 1 2 298.321 2.403 20 30 CEEDLO Cc1ncccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329419974 539238807 /nfs/dbraw/zinc/23/88/07/539238807.db2.gz FBKSLDZLSXWDCM-NSHDSACASA-N 1 2 256.309 2.437 20 30 CEEDLO CN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@H]1CCC[C@@H]1C#N ZINC000601820824 346909583 /nfs/dbraw/zinc/90/95/83/346909583.db2.gz TVWYGRJWSXHACL-OLZOCXBDSA-N 1 2 299.365 2.114 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329769873 539249498 /nfs/dbraw/zinc/24/94/98/539249498.db2.gz FPXGCYIWIZMBTN-JQWIXIFHSA-N 1 2 269.308 2.162 20 30 CEEDLO Cc1ccc(CNC(=O)N2CCn3cc[nH+]c3C2)s1 ZINC000329848707 539255960 /nfs/dbraw/zinc/25/59/60/539255960.db2.gz PRVSQBFDMIDXDI-UHFFFAOYSA-N 1 2 276.365 2.183 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000601930442 346928832 /nfs/dbraw/zinc/92/88/32/346928832.db2.gz VUJRPDLENNELSE-FRRDWIJNSA-N 1 2 267.369 2.040 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000042976958 362130791 /nfs/dbraw/zinc/13/07/91/362130791.db2.gz CLHWGOVMAQTZMK-UHFFFAOYSA-N 1 2 288.391 2.328 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccccc1OC ZINC000042976958 362130794 /nfs/dbraw/zinc/13/07/94/362130794.db2.gz CLHWGOVMAQTZMK-UHFFFAOYSA-N 1 2 288.391 2.328 20 30 CEEDLO Cc1cnc([C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000332416362 136384151 /nfs/dbraw/zinc/38/41/51/136384151.db2.gz MSMHPYAXCBFZPI-ZDUSSCGKSA-N 1 2 297.362 2.133 20 30 CEEDLO CC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000055275219 343601191 /nfs/dbraw/zinc/60/11/91/343601191.db2.gz YXNKXMQSOGMYFN-CQSZACIVSA-N 1 2 285.391 2.249 20 30 CEEDLO N#CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000057381661 343629543 /nfs/dbraw/zinc/62/95/43/343629543.db2.gz TUAVMAKXRZCPTF-UHFFFAOYSA-N 1 2 298.390 2.204 20 30 CEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)[C@@H](O)C(F)(F)F ZINC000602016326 346960203 /nfs/dbraw/zinc/96/02/03/346960203.db2.gz BXRAPHSWMCSSGL-RDDDGLTNSA-N 1 2 276.233 2.099 20 30 CEEDLO C[C@H]1C[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000351510924 219108279 /nfs/dbraw/zinc/10/82/79/219108279.db2.gz AMUQPQFAGUPBAF-WMLDXEAASA-N 1 2 297.402 2.249 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000602080427 346969437 /nfs/dbraw/zinc/96/94/37/346969437.db2.gz LGXDEFBNHOCPLS-UHFFFAOYSA-N 1 2 298.346 2.424 20 30 CEEDLO CC(C)C[C@@H](C(=O)NC1(C#N)CCC1)n1cc[nH+]c1 ZINC000602082290 346969472 /nfs/dbraw/zinc/96/94/72/346969472.db2.gz KDZFFEHMFBPKJH-LBPRGKRZSA-N 1 2 260.341 2.033 20 30 CEEDLO CC(C)C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)n1cc[nH+]c1 ZINC000602166772 346986351 /nfs/dbraw/zinc/98/63/51/346986351.db2.gz IWOPBBZBUSXGKN-BFHYXJOUSA-N 1 2 274.368 2.279 20 30 CEEDLO C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128144060 187353623 /nfs/dbraw/zinc/35/36/23/187353623.db2.gz XSODFFNGIXDPHC-ZDUSSCGKSA-N 1 2 292.404 2.206 20 30 CEEDLO C[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128144060 187353625 /nfs/dbraw/zinc/35/36/25/187353625.db2.gz XSODFFNGIXDPHC-ZDUSSCGKSA-N 1 2 292.404 2.206 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000075682635 343862761 /nfs/dbraw/zinc/86/27/61/343862761.db2.gz SUIGYWUXDVDXRX-MFKMUULPSA-N 1 2 252.745 2.465 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000075682635 343862762 /nfs/dbraw/zinc/86/27/62/343862762.db2.gz SUIGYWUXDVDXRX-MFKMUULPSA-N 1 2 252.745 2.465 20 30 CEEDLO N#Cc1ccc(NCc2[nH+]ccn2CC(F)(F)F)nc1 ZINC000075722573 343864335 /nfs/dbraw/zinc/86/43/35/343864335.db2.gz UGTLGRAFRMTCRS-UHFFFAOYSA-N 1 2 281.241 2.324 20 30 CEEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000622824205 349889644 /nfs/dbraw/zinc/88/96/44/349889644.db2.gz VDEACFFKWFDGCJ-AWEZNQCLSA-N 1 2 275.352 2.108 20 30 CEEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cccc(Cl)c1C#N ZINC000048336756 362258182 /nfs/dbraw/zinc/25/81/82/362258182.db2.gz HRRPWKJJPDZHIM-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO CC[N@@H+](Cc1cnc(N(C)C)s1)C[C@H](C)C#N ZINC000091983522 344175365 /nfs/dbraw/zinc/17/53/65/344175365.db2.gz WHWQJPOBECTDGB-SNVBAGLBSA-N 1 2 252.387 2.191 20 30 CEEDLO CC[N@H+](Cc1cnc(N(C)C)s1)C[C@H](C)C#N ZINC000091983522 344175367 /nfs/dbraw/zinc/17/53/67/344175367.db2.gz WHWQJPOBECTDGB-SNVBAGLBSA-N 1 2 252.387 2.191 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC000093100032 344213888 /nfs/dbraw/zinc/21/38/88/344213888.db2.gz IMGLNKRPAVOFSL-UHFFFAOYSA-N 1 2 275.352 2.007 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC000093100032 344213890 /nfs/dbraw/zinc/21/38/90/344213890.db2.gz IMGLNKRPAVOFSL-UHFFFAOYSA-N 1 2 275.352 2.007 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000093099939 344214234 /nfs/dbraw/zinc/21/42/34/344214234.db2.gz MOXBYSXCZHWTPK-UHFFFAOYSA-N 1 2 288.351 2.340 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000093099939 344214236 /nfs/dbraw/zinc/21/42/36/344214236.db2.gz MOXBYSXCZHWTPK-UHFFFAOYSA-N 1 2 288.351 2.340 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)c1C ZINC000093343922 344221101 /nfs/dbraw/zinc/22/11/01/344221101.db2.gz HAKAHEHRLAWERR-BLLLJJGKSA-N 1 2 290.407 2.176 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1C ZINC000093343922 344221102 /nfs/dbraw/zinc/22/11/02/344221102.db2.gz HAKAHEHRLAWERR-BLLLJJGKSA-N 1 2 290.407 2.176 20 30 CEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094159661 344235012 /nfs/dbraw/zinc/23/50/12/344235012.db2.gz XPAZGSIGQRSQOT-AWEZNQCLSA-N 1 2 293.374 2.231 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1ccc2cc(C#N)ccc2n1 ZINC000092886329 344205812 /nfs/dbraw/zinc/20/58/12/344205812.db2.gz DVWWZSOFLSBKOH-UHFFFAOYSA-N 1 2 277.331 2.476 20 30 CEEDLO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000131264810 344357373 /nfs/dbraw/zinc/35/73/73/344357373.db2.gz PQQCMSQXMXNGTO-UHFFFAOYSA-N 1 2 278.718 2.374 20 30 CEEDLO COc1ccccc1N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000049865773 362381262 /nfs/dbraw/zinc/38/12/62/362381262.db2.gz IZDPOVFECFKCAW-UHFFFAOYSA-N 1 2 271.364 2.121 20 30 CEEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602468394 347045096 /nfs/dbraw/zinc/04/50/96/347045096.db2.gz NKEWTRRJEWNYJQ-OAHLLOKOSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602468394 347045099 /nfs/dbraw/zinc/04/50/99/347045099.db2.gz NKEWTRRJEWNYJQ-OAHLLOKOSA-N 1 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CN(CCCn1cc[nH+]c1)c1ccc(Cl)c(C#N)n1 ZINC000268923868 372289165 /nfs/dbraw/zinc/28/91/65/372289165.db2.gz AFBKIVFLEFVPKB-UHFFFAOYSA-N 1 2 275.743 2.330 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000362307361 372306598 /nfs/dbraw/zinc/30/65/98/372306598.db2.gz ZACQNRAXJLKZCX-ZDUSSCGKSA-N 1 2 290.338 2.472 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362307361 372306601 /nfs/dbraw/zinc/30/66/01/372306601.db2.gz ZACQNRAXJLKZCX-ZDUSSCGKSA-N 1 2 290.338 2.472 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc3c(c2)CCC3)nn1 ZINC000641091178 372307292 /nfs/dbraw/zinc/30/72/92/372307292.db2.gz PJBYOPJVQMMYCY-CQSZACIVSA-N 1 2 294.402 2.489 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)o1 ZINC000344322648 217150225 /nfs/dbraw/zinc/15/02/25/217150225.db2.gz YESDDEXSIYFREW-CQSZACIVSA-N 1 2 260.268 2.114 20 30 CEEDLO CC[C@H]1C[N@H+](CCNc2ccc(F)cc2C#N)CCO1 ZINC000362654079 372474628 /nfs/dbraw/zinc/47/46/28/372474628.db2.gz FANWTKXMSUDYRU-AWEZNQCLSA-N 1 2 277.343 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SYSMXUQDBRMATF-UHFFFAOYSA-N 1 2 285.409 2.133 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000644837992 373729738 /nfs/dbraw/zinc/72/97/38/373729738.db2.gz DZBHLXKXSACBLZ-NVXWUHKLSA-N 1 2 289.375 2.241 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000644837992 373729746 /nfs/dbraw/zinc/72/97/46/373729746.db2.gz DZBHLXKXSACBLZ-NVXWUHKLSA-N 1 2 289.375 2.241 20 30 CEEDLO Cc1ccnc(N2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000273084805 373747126 /nfs/dbraw/zinc/74/71/26/373747126.db2.gz YKAQICYCCNHRIY-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO C#CC[N@@H+](CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000274145399 373825087 /nfs/dbraw/zinc/82/50/87/373825087.db2.gz KHJGAGCXSBRESD-UHFFFAOYSA-N 1 2 252.317 2.448 20 30 CEEDLO C#CC[N@H+](CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000274145399 373825095 /nfs/dbraw/zinc/82/50/95/373825095.db2.gz KHJGAGCXSBRESD-UHFFFAOYSA-N 1 2 252.317 2.448 20 30 CEEDLO CSCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371291565 373832932 /nfs/dbraw/zinc/83/29/32/373832932.db2.gz JWBTYCJYAAFDCZ-AWEZNQCLSA-N 1 2 262.378 2.295 20 30 CEEDLO CSCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371291565 373832938 /nfs/dbraw/zinc/83/29/38/373832938.db2.gz JWBTYCJYAAFDCZ-AWEZNQCLSA-N 1 2 262.378 2.295 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C1CC1 ZINC000274009638 373777726 /nfs/dbraw/zinc/77/77/26/373777726.db2.gz AKYDSTHPVBGYKF-UHFFFAOYSA-N 1 2 275.352 2.008 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C1CC1 ZINC000274009638 373777730 /nfs/dbraw/zinc/77/77/30/373777730.db2.gz AKYDSTHPVBGYKF-UHFFFAOYSA-N 1 2 275.352 2.008 20 30 CEEDLO C=CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000274707501 374019357 /nfs/dbraw/zinc/01/93/57/374019357.db2.gz PJEOZGMEDNNGIA-UHFFFAOYSA-N 1 2 270.336 2.353 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000276899355 374339890 /nfs/dbraw/zinc/33/98/90/374339890.db2.gz DDCAHIFNKODZEE-UHFFFAOYSA-N 1 2 273.361 2.108 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000276899355 374339893 /nfs/dbraw/zinc/33/98/93/374339893.db2.gz DDCAHIFNKODZEE-UHFFFAOYSA-N 1 2 273.361 2.108 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277232668 374447829 /nfs/dbraw/zinc/44/78/29/374447829.db2.gz OVQZFILTEXURES-QUJCMNEKSA-N 1 2 276.405 2.462 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277232668 374447831 /nfs/dbraw/zinc/44/78/31/374447831.db2.gz OVQZFILTEXURES-QUJCMNEKSA-N 1 2 276.405 2.462 20 30 CEEDLO CN(C)c1noc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)n1 ZINC000374535001 374593296 /nfs/dbraw/zinc/59/32/96/374593296.db2.gz GAWSEZYBNLZTPQ-HNNXBMFYSA-N 1 2 296.374 2.324 20 30 CEEDLO CN(C)c1noc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)n1 ZINC000374535001 374593301 /nfs/dbraw/zinc/59/33/01/374593301.db2.gz GAWSEZYBNLZTPQ-HNNXBMFYSA-N 1 2 296.374 2.324 20 30 CEEDLO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000377497629 374867822 /nfs/dbraw/zinc/86/78/22/374867822.db2.gz UXAKEMMNOFRFSK-AWEZNQCLSA-N 1 2 284.319 2.157 20 30 CEEDLO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000377497629 374867828 /nfs/dbraw/zinc/86/78/28/374867828.db2.gz UXAKEMMNOFRFSK-AWEZNQCLSA-N 1 2 284.319 2.157 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccc1C#N ZINC000378571258 375127809 /nfs/dbraw/zinc/12/78/09/375127809.db2.gz PMGZRSDEUZBNNV-OAHLLOKOSA-N 1 2 272.348 2.476 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccccc1C#N ZINC000378571258 375127812 /nfs/dbraw/zinc/12/78/12/375127812.db2.gz PMGZRSDEUZBNNV-OAHLLOKOSA-N 1 2 272.348 2.476 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000280550139 375241102 /nfs/dbraw/zinc/24/11/02/375241102.db2.gz UFVNWCQLPOOBSB-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000280550139 375241109 /nfs/dbraw/zinc/24/11/09/375241109.db2.gz UFVNWCQLPOOBSB-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000280666828 375277923 /nfs/dbraw/zinc/27/79/23/375277923.db2.gz FCFNSQCWYWJXPT-JTQLQIEISA-N 1 2 287.201 2.052 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000280666828 375277925 /nfs/dbraw/zinc/27/79/25/375277925.db2.gz FCFNSQCWYWJXPT-JTQLQIEISA-N 1 2 287.201 2.052 20 30 CEEDLO COc1ccccc1CCNc1cc(C)[nH+]cc1C#N ZINC000399497133 375364216 /nfs/dbraw/zinc/36/42/16/375364216.db2.gz HOMBRZLVLUZTOG-UHFFFAOYSA-N 1 2 267.332 2.347 20 30 CEEDLO C=CCCS(=O)(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281378949 375376445 /nfs/dbraw/zinc/37/64/45/375376445.db2.gz GNMJFYMSLKQBMF-ZDUSSCGKSA-N 1 2 297.424 2.336 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)C(C)C ZINC000281541073 375386776 /nfs/dbraw/zinc/38/67/76/375386776.db2.gz YHXJVMMDJTUIPG-AWEZNQCLSA-N 1 2 284.363 2.100 20 30 CEEDLO COc1cc(C[N@H+](C)CC(=O)OC(C)(C)C)ccc1C#N ZINC000282154110 375416327 /nfs/dbraw/zinc/41/63/27/375416327.db2.gz CWNMCIDZDPFQCQ-UHFFFAOYSA-N 1 2 290.363 2.340 20 30 CEEDLO COc1cc(C[N@@H+](C)CC(=O)OC(C)(C)C)ccc1C#N ZINC000282154110 375416331 /nfs/dbraw/zinc/41/63/31/375416331.db2.gz CWNMCIDZDPFQCQ-UHFFFAOYSA-N 1 2 290.363 2.340 20 30 CEEDLO Cc1cccc(CSC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414141664 375798213 /nfs/dbraw/zinc/79/82/13/375798213.db2.gz JZLGHOZYMKLDSP-OAHLLOKOSA-N 1 2 278.421 2.435 20 30 CEEDLO Cc1cccc(CSC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414141664 375798217 /nfs/dbraw/zinc/79/82/17/375798217.db2.gz JZLGHOZYMKLDSP-OAHLLOKOSA-N 1 2 278.421 2.435 20 30 CEEDLO CCSc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414153007 375799201 /nfs/dbraw/zinc/79/92/01/375799201.db2.gz RNUAYNOIIXVJLI-CYBMUJFWSA-N 1 2 294.420 2.384 20 30 CEEDLO CCSc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414153007 375799206 /nfs/dbraw/zinc/79/92/06/375799206.db2.gz RNUAYNOIIXVJLI-CYBMUJFWSA-N 1 2 294.420 2.384 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000264451163 190110484 /nfs/dbraw/zinc/11/04/84/190110484.db2.gz IELUEKRRDZYKAO-UHFFFAOYSA-N 1 2 255.321 2.149 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1N(Cc2nc(C#N)cs2)CC1(C)C ZINC000560152751 376716324 /nfs/dbraw/zinc/71/63/24/376716324.db2.gz PYWKHYOSZMMILR-LBPRGKRZSA-N 1 2 287.392 2.331 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000562278066 376857440 /nfs/dbraw/zinc/85/74/40/376857440.db2.gz UKRCEDYOLKTJBA-UHFFFAOYSA-N 1 2 291.399 2.292 20 30 CEEDLO O=C(NCCC1=CCCC1)N1CCn2cc[nH+]c2C1 ZINC000328745460 376888814 /nfs/dbraw/zinc/88/88/14/376888814.db2.gz PIDXOODWQUEOLB-UHFFFAOYSA-N 1 2 260.341 2.113 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CSC1(C)C ZINC000328739370 376889737 /nfs/dbraw/zinc/88/97/37/376889737.db2.gz LFSVIEIGBXLWKZ-SNVBAGLBSA-N 1 2 251.355 2.032 20 30 CEEDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328936750 376922844 /nfs/dbraw/zinc/92/28/44/376922844.db2.gz JOLWLHDUDIUVDA-NGFQHRJXSA-N 1 2 289.379 2.360 20 30 CEEDLO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1OCCC2=O ZINC000329358100 376953771 /nfs/dbraw/zinc/95/37/71/376953771.db2.gz WVGCLPKKTCTTRR-LBPRGKRZSA-N 1 2 274.320 2.334 20 30 CEEDLO C[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1OCCC2=O ZINC000329358100 376953774 /nfs/dbraw/zinc/95/37/74/376953774.db2.gz WVGCLPKKTCTTRR-LBPRGKRZSA-N 1 2 274.320 2.334 20 30 CEEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000329560660 376968767 /nfs/dbraw/zinc/96/87/67/376968767.db2.gz RIHZIMRFLPISHE-LLVKDONJSA-N 1 2 263.341 2.401 20 30 CEEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000330401552 377118284 /nfs/dbraw/zinc/11/82/84/377118284.db2.gz FLJVVLTUMYYVOJ-INIZCTEOSA-N 1 2 285.391 2.295 20 30 CEEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000330401552 377118288 /nfs/dbraw/zinc/11/82/88/377118288.db2.gz FLJVVLTUMYYVOJ-INIZCTEOSA-N 1 2 285.391 2.295 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330275360 377081837 /nfs/dbraw/zinc/08/18/37/377081837.db2.gz LJSUKXAEQNNRHL-XQQFMLRXSA-N 1 2 276.384 2.090 20 30 CEEDLO N#CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330312228 377087435 /nfs/dbraw/zinc/08/74/35/377087435.db2.gz ODNWKMSQRGFIGA-NSHDSACASA-N 1 2 258.325 2.238 20 30 CEEDLO C=C1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000292522080 377251090 /nfs/dbraw/zinc/25/10/90/377251090.db2.gz JJLVXSRLJZAKLJ-UHFFFAOYSA-N 1 2 268.364 2.478 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000292865562 377320271 /nfs/dbraw/zinc/32/02/71/377320271.db2.gz RZKSXKVKMWVLQX-ZIAGYGMSSA-N 1 2 297.420 2.075 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000292865562 377320280 /nfs/dbraw/zinc/32/02/80/377320280.db2.gz RZKSXKVKMWVLQX-ZIAGYGMSSA-N 1 2 297.420 2.075 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)C1 ZINC000331243606 377343325 /nfs/dbraw/zinc/34/33/25/377343325.db2.gz OKJXQTSONKABRK-FZMZJTMJSA-N 1 2 258.321 2.114 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)C1 ZINC000331243606 377343331 /nfs/dbraw/zinc/34/33/31/377343331.db2.gz OKJXQTSONKABRK-FZMZJTMJSA-N 1 2 258.321 2.114 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1 ZINC000428855386 377500531 /nfs/dbraw/zinc/50/05/31/377500531.db2.gz IEJRAQANTVSHPB-AWEZNQCLSA-N 1 2 294.782 2.481 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1 ZINC000428855386 377500539 /nfs/dbraw/zinc/50/05/39/377500539.db2.gz IEJRAQANTVSHPB-AWEZNQCLSA-N 1 2 294.782 2.481 20 30 CEEDLO Cn1c[nH+]c(CCNc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000313472127 249396916 /nfs/dbraw/zinc/39/69/16/249396916.db2.gz MLBMMFGACRCIRO-UHFFFAOYSA-N 1 2 295.268 2.360 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000565724814 377691179 /nfs/dbraw/zinc/69/11/79/377691179.db2.gz KAZBUGCUWQEBQQ-UHFFFAOYSA-N 1 2 257.337 2.147 20 30 CEEDLO N#CCC[C@@H](C#N)CNCC[N@@H+]1CCc2ccccc2C1 ZINC000566579572 377763407 /nfs/dbraw/zinc/76/34/07/377763407.db2.gz UOWWBMRUUUUUKH-HNNXBMFYSA-N 1 2 282.391 2.078 20 30 CEEDLO N#CCC[C@@H](C#N)CNCC[N@H+]1CCc2ccccc2C1 ZINC000566579572 377763412 /nfs/dbraw/zinc/76/34/12/377763412.db2.gz UOWWBMRUUUUUKH-HNNXBMFYSA-N 1 2 282.391 2.078 20 30 CEEDLO Cc1nnc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)c1C ZINC000333694841 377828574 /nfs/dbraw/zinc/82/85/74/377828574.db2.gz MZJXPXSTUAZIFC-PELKAZGASA-N 1 2 268.324 2.280 20 30 CEEDLO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)CC(C)(C)C#N ZINC000433312444 377787527 /nfs/dbraw/zinc/78/75/27/377787527.db2.gz MBGFPUJHJYZWRK-NSHDSACASA-N 1 2 279.409 2.234 20 30 CEEDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)CC(C)(C)C#N ZINC000433312444 377787530 /nfs/dbraw/zinc/78/75/30/377787530.db2.gz MBGFPUJHJYZWRK-NSHDSACASA-N 1 2 279.409 2.234 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000433312440 377787844 /nfs/dbraw/zinc/78/78/44/377787844.db2.gz MAXUQQQITPGUMC-UHFFFAOYSA-N 1 2 293.798 2.438 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000433312440 377787851 /nfs/dbraw/zinc/78/78/51/377787851.db2.gz MAXUQQQITPGUMC-UHFFFAOYSA-N 1 2 293.798 2.438 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449011797 378195751 /nfs/dbraw/zinc/19/57/51/378195751.db2.gz UVQHZRXFOUBDAD-ZDUSSCGKSA-N 1 2 294.420 2.429 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449011797 378195755 /nfs/dbraw/zinc/19/57/55/378195755.db2.gz UVQHZRXFOUBDAD-ZDUSSCGKSA-N 1 2 294.420 2.429 20 30 CEEDLO N#C[C@H]1[N@H+](CC2CCOCC2)CCC[C@]12CCCCO2 ZINC000447901351 378157153 /nfs/dbraw/zinc/15/71/53/378157153.db2.gz GNUZGGVHMSPASS-HZPDHXFCSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@H]1[N@@H+](CC2CCOCC2)CCC[C@]12CCCCO2 ZINC000447901351 378157155 /nfs/dbraw/zinc/15/71/55/378157155.db2.gz GNUZGGVHMSPASS-HZPDHXFCSA-N 1 2 278.396 2.340 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448682802 378178913 /nfs/dbraw/zinc/17/89/13/378178913.db2.gz XWXMTHGEFDGITI-CXAGYDPISA-N 1 2 294.358 2.097 20 30 CEEDLO CCN(CC)c1ccc(Nc2nccc(C#N)n2)c[nH+]1 ZINC000295603100 378231780 /nfs/dbraw/zinc/23/17/80/378231780.db2.gz UPVDQSUJGIAEIX-UHFFFAOYSA-N 1 2 268.324 2.333 20 30 CEEDLO C=CCN(CCOC)c1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450479688 378440962 /nfs/dbraw/zinc/44/09/62/378440962.db2.gz QAFQKIWCAFZAFQ-UHFFFAOYSA-N 1 2 286.379 2.335 20 30 CEEDLO C=CC(C)(C)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000450729355 378550147 /nfs/dbraw/zinc/55/01/47/378550147.db2.gz PCRADEPOEUQELC-UHFFFAOYSA-N 1 2 263.389 2.107 20 30 CEEDLO C=CC(C)(C)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000450729355 378550155 /nfs/dbraw/zinc/55/01/55/378550155.db2.gz PCRADEPOEUQELC-UHFFFAOYSA-N 1 2 263.389 2.107 20 30 CEEDLO C=CCCCCNC(=O)NCc1[nH+]ccn1CC ZINC000296729543 378631469 /nfs/dbraw/zinc/63/14/69/378631469.db2.gz GNSOUPIKUJQAHP-UHFFFAOYSA-N 1 2 250.346 2.059 20 30 CEEDLO C[C@H]1C[C@H](Nc2ncc(C#N)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450820074 378594503 /nfs/dbraw/zinc/59/45/03/378594503.db2.gz MZHATIDDCNFNDR-WPRPVWTQSA-N 1 2 284.279 2.176 20 30 CEEDLO C=C(C)CS(=O)(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296878293 378655557 /nfs/dbraw/zinc/65/55/57/378655557.db2.gz CRLRDLCDTIFDCG-UHFFFAOYSA-N 1 2 280.349 2.166 20 30 CEEDLO Cc1ccc(C#N)c(NCCNc2cccc[nH+]2)n1 ZINC000346850194 218036110 /nfs/dbraw/zinc/03/61/10/218036110.db2.gz MZVMCXODHFNDGK-UHFFFAOYSA-N 1 2 253.309 2.181 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000278544351 194036172 /nfs/dbraw/zinc/03/61/72/194036172.db2.gz NIJBBFZZJDPMGL-UKRRQHHQSA-N 1 2 298.346 2.187 20 30 CEEDLO CC(C)CN1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000299443689 379000450 /nfs/dbraw/zinc/00/04/50/379000450.db2.gz WAERYLWEEZDDSA-AWEZNQCLSA-N 1 2 285.391 2.419 20 30 CEEDLO CC(C)CN1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000299443689 379000453 /nfs/dbraw/zinc/00/04/53/379000453.db2.gz WAERYLWEEZDDSA-AWEZNQCLSA-N 1 2 285.391 2.419 20 30 CEEDLO C=CCCO[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000299515033 379028504 /nfs/dbraw/zinc/02/85/04/379028504.db2.gz UXWQKBQUQBWOTQ-SNVBAGLBSA-N 1 2 250.298 2.010 20 30 CEEDLO COCC[N@H+](Cc1ccc(C#N)o1)Cc1cccnc1 ZINC000289457935 197356647 /nfs/dbraw/zinc/35/66/47/197356647.db2.gz OBJPNOIDAQLKAO-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO COCC[N@@H+](Cc1ccc(C#N)o1)Cc1cccnc1 ZINC000289457935 197356649 /nfs/dbraw/zinc/35/66/49/197356649.db2.gz OBJPNOIDAQLKAO-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO O=C(NC[C@@H]1CCCCO1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329227277 227364257 /nfs/dbraw/zinc/36/42/57/227364257.db2.gz AZGLWYBWCIRPBD-LSDHHAIUSA-N 1 2 296.411 2.013 20 30 CEEDLO O=C(NC[C@@H]1CCCCO1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329227277 227364260 /nfs/dbraw/zinc/36/42/60/227364260.db2.gz AZGLWYBWCIRPBD-LSDHHAIUSA-N 1 2 296.411 2.013 20 30 CEEDLO COC(=O)c1ccc(NCCc2ccc(C)[nH+]c2)c(C#N)n1 ZINC000519762601 379452649 /nfs/dbraw/zinc/45/26/49/379452649.db2.gz BJKFWBICXZUZPF-UHFFFAOYSA-N 1 2 296.330 2.098 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000266890165 190287637 /nfs/dbraw/zinc/28/76/37/190287637.db2.gz CPNPVIFVOLJWGA-JTQLQIEISA-N 1 2 265.744 2.017 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000266890165 190287638 /nfs/dbraw/zinc/28/76/38/190287638.db2.gz CPNPVIFVOLJWGA-JTQLQIEISA-N 1 2 265.744 2.017 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(SC)c1 ZINC000266953178 190293183 /nfs/dbraw/zinc/29/31/83/190293183.db2.gz UYLXHUHULYAFSD-UHFFFAOYSA-N 1 2 262.378 2.302 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(SC)c1 ZINC000266953178 190293184 /nfs/dbraw/zinc/29/31/84/190293184.db2.gz UYLXHUHULYAFSD-UHFFFAOYSA-N 1 2 262.378 2.302 20 30 CEEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCC(C)(C)C#N ZINC000530865927 380204543 /nfs/dbraw/zinc/20/45/43/380204543.db2.gz UWCWCTGPXQPUJC-GFCCVEGCSA-N 1 2 284.425 2.297 20 30 CEEDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCC(C)(C)C#N ZINC000530865927 380204546 /nfs/dbraw/zinc/20/45/46/380204546.db2.gz UWCWCTGPXQPUJC-GFCCVEGCSA-N 1 2 284.425 2.297 20 30 CEEDLO CCC(C#N)(CC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000529455532 380176567 /nfs/dbraw/zinc/17/65/67/380176567.db2.gz DFVQJLZNELMEFI-GHMZBOCLSA-N 1 2 260.341 2.335 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000539841682 380248615 /nfs/dbraw/zinc/24/86/15/380248615.db2.gz YHELRXKMOLNKPS-NSHDSACASA-N 1 2 273.315 2.140 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000539841682 380248620 /nfs/dbraw/zinc/24/86/20/380248620.db2.gz YHELRXKMOLNKPS-NSHDSACASA-N 1 2 273.315 2.140 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000334393859 380348995 /nfs/dbraw/zinc/34/89/95/380348995.db2.gz ATCGAXGYDSRTPB-UHFFFAOYSA-N 1 2 260.312 2.310 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000334393859 380348998 /nfs/dbraw/zinc/34/89/98/380348998.db2.gz ATCGAXGYDSRTPB-UHFFFAOYSA-N 1 2 260.312 2.310 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC#Cc1cccc(F)c1 ZINC000492768890 380683171 /nfs/dbraw/zinc/68/31/71/380683171.db2.gz PEYYCFUZTWDBKS-HJWRWDBZSA-N 1 2 297.333 2.223 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492791092 380689090 /nfs/dbraw/zinc/68/90/90/380689090.db2.gz BCCPEVORUSPZDE-FEAKQIBJSA-N 1 2 279.343 2.174 20 30 CEEDLO Cc1cccc(CCCNc2ccncc2C#N)[nH+]1 ZINC000553604881 380744715 /nfs/dbraw/zinc/74/47/15/380744715.db2.gz DGPFFLNYKSAUHF-UHFFFAOYSA-N 1 2 252.321 2.123 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000493104448 380798440 /nfs/dbraw/zinc/79/84/40/380798440.db2.gz JVGANBWWENMITJ-PPYMECGQSA-N 1 2 291.782 2.313 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\C1CCCCC1 ZINC000493578195 381065827 /nfs/dbraw/zinc/06/58/27/381065827.db2.gz GIPQAJVPSLELFD-KVPUOBJLSA-N 1 2 263.385 2.083 20 30 CEEDLO CN1C[C@H](C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)OC1=O ZINC000496546085 381218256 /nfs/dbraw/zinc/21/82/56/381218256.db2.gz FZDSBCLNKNTNMR-OWCLPIDISA-N 1 2 299.374 2.209 20 30 CEEDLO CN1C[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)OC1=O ZINC000496546085 381218264 /nfs/dbraw/zinc/21/82/64/381218264.db2.gz FZDSBCLNKNTNMR-OWCLPIDISA-N 1 2 299.374 2.209 20 30 CEEDLO N#Cc1cc(C(=O)NCc2cn3ccccc3[nH+]2)ccc1F ZINC000348657685 218692669 /nfs/dbraw/zinc/69/26/69/218692669.db2.gz FQVFZHRGFBFSKH-UHFFFAOYSA-N 1 2 294.289 2.275 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000574757456 335044971 /nfs/dbraw/zinc/04/49/71/335044971.db2.gz JSNRFESXLRWSEV-UHFFFAOYSA-N 1 2 296.378 2.363 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000574757456 335044972 /nfs/dbraw/zinc/04/49/72/335044972.db2.gz JSNRFESXLRWSEV-UHFFFAOYSA-N 1 2 296.378 2.363 20 30 CEEDLO C[C@@H]1[N@H+](Cc2cnc3ccc(C#N)cn23)CCOC1(C)C ZINC000353880649 220385924 /nfs/dbraw/zinc/38/59/24/220385924.db2.gz JTYXKGOETHHSEJ-LBPRGKRZSA-N 1 2 284.363 2.205 20 30 CEEDLO C[C@@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CCOC1(C)C ZINC000353880649 220385927 /nfs/dbraw/zinc/38/59/27/220385927.db2.gz JTYXKGOETHHSEJ-LBPRGKRZSA-N 1 2 284.363 2.205 20 30 CEEDLO Cc1nsc(NC[C@@H](C)Cn2cc[nH+]c2)c1C#N ZINC000288209262 197027064 /nfs/dbraw/zinc/02/70/64/197027064.db2.gz UJWMSUZJGJSFCR-SECBINFHSA-N 1 2 261.354 2.268 20 30 CEEDLO COC(=O)C[C@@](C)([NH2+]CC1(C#N)CC1)c1cccc(F)c1 ZINC000353152774 533665338 /nfs/dbraw/zinc/66/53/38/533665338.db2.gz ILXQSUBVNBHZRU-OAHLLOKOSA-N 1 2 290.338 2.497 20 30 CEEDLO Cn1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1C#N ZINC000191455228 130239751 /nfs/dbraw/zinc/23/97/51/130239751.db2.gz VJEWAMZHNWZUSB-GOSISDBHSA-N 1 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HAZRMBWHHYUWCQ-OAHLLOKOSA-N 1 2 284.359 2.425 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000302959559 394479664 /nfs/dbraw/zinc/47/96/64/394479664.db2.gz HAZRMBWHHYUWCQ-OAHLLOKOSA-N 1 2 284.359 2.425 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H](C)CC#N)C2 ZINC000355667944 394495090 /nfs/dbraw/zinc/49/50/90/394495090.db2.gz FDQJYIDSTQYNLM-VXGBXAGGSA-N 1 2 288.395 2.399 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H](C)CC#N)CC2 ZINC000355667944 394495092 /nfs/dbraw/zinc/49/50/92/394495092.db2.gz FDQJYIDSTQYNLM-VXGBXAGGSA-N 1 2 288.395 2.399 20 30 CEEDLO C=CCCC[C@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413229650 394508065 /nfs/dbraw/zinc/50/80/65/394508065.db2.gz RJKGXZDZIPSVBW-NWDGAFQWSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CCCC[C@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413229650 394508066 /nfs/dbraw/zinc/50/80/66/394508066.db2.gz RJKGXZDZIPSVBW-NWDGAFQWSA-N 1 2 264.373 2.426 20 30 CEEDLO Cc1cn2cc(NC(=O)N[C@@]3(C)CCO[C@@H]3C)ccc2[nH+]1 ZINC000329552736 394572844 /nfs/dbraw/zinc/57/28/44/394572844.db2.gz JXSJKBJJRCQOCG-ABAIWWIYSA-N 1 2 288.351 2.345 20 30 CEEDLO CC(C)(C[NH+]1CCOCC1)Nc1ncc(C#N)cc1Cl ZINC000413539339 394577208 /nfs/dbraw/zinc/57/72/08/394577208.db2.gz IHSSLLQGMNCAQT-UHFFFAOYSA-N 1 2 294.786 2.129 20 30 CEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1C=CCCC1 ZINC000329796930 394586255 /nfs/dbraw/zinc/58/62/55/394586255.db2.gz FEBDIVUYKPGPSV-LBPRGKRZSA-N 1 2 274.368 2.332 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cnnc(C)c1)CCC2 ZINC000329846905 394589516 /nfs/dbraw/zinc/58/95/16/394589516.db2.gz QXUQCWWPGGSWDB-GFCCVEGCSA-N 1 2 285.351 2.172 20 30 CEEDLO NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329893609 394592266 /nfs/dbraw/zinc/59/22/66/394592266.db2.gz JNWZNKQOQGYNJL-WOPDTQHZSA-N 1 2 290.367 2.496 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1F ZINC000266933244 394671106 /nfs/dbraw/zinc/67/11/06/394671106.db2.gz PGPFJAZRKZVFAW-UHFFFAOYSA-N 1 2 268.719 2.373 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1F ZINC000266933244 394671110 /nfs/dbraw/zinc/67/11/10/394671110.db2.gz PGPFJAZRKZVFAW-UHFFFAOYSA-N 1 2 268.719 2.373 20 30 CEEDLO C=C[C@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330418150 394607352 /nfs/dbraw/zinc/60/73/52/394607352.db2.gz XYKBALALNABNLV-JQWIXIFHSA-N 1 2 262.357 2.147 20 30 CEEDLO Cc1[nH]c(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000330449322 394611014 /nfs/dbraw/zinc/61/10/14/394611014.db2.gz ITRVZXMHUIZBDU-AAEUAGOBSA-N 1 2 265.357 2.354 20 30 CEEDLO Cc1occc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330618407 394622640 /nfs/dbraw/zinc/62/26/40/394622640.db2.gz HEJBJONZOMPEKU-MNOVXSKESA-N 1 2 266.341 2.002 20 30 CEEDLO Cc1cc(NC(=O)c2ccc(CC#N)cc2)cc[nH+]1 ZINC000334254406 394669390 /nfs/dbraw/zinc/66/93/90/394669390.db2.gz DEIPPKYKEPJEBC-UHFFFAOYSA-N 1 2 251.289 2.130 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000268540962 394696898 /nfs/dbraw/zinc/69/68/98/394696898.db2.gz LAGAWTGDYYRLPV-ZBFHGGJFSA-N 1 2 289.375 2.086 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000268540962 394696902 /nfs/dbraw/zinc/69/69/02/394696902.db2.gz LAGAWTGDYYRLPV-ZBFHGGJFSA-N 1 2 289.375 2.086 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000102220153 394709556 /nfs/dbraw/zinc/70/95/56/394709556.db2.gz SWIJEMKKBWLXPL-UHFFFAOYSA-N 1 2 288.391 2.176 20 30 CEEDLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000272983067 394780376 /nfs/dbraw/zinc/78/03/76/394780376.db2.gz JOIQTWSKNXCKOR-GHMZBOCLSA-N 1 2 286.335 2.499 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CCNC(=O)C(C)(C)C)c1 ZINC000121168203 394794196 /nfs/dbraw/zinc/79/41/96/394794196.db2.gz JJAUBRHFQNNWBF-GZTJUZNOSA-N 1 2 292.379 2.372 20 30 CEEDLO CCOC(=O)C(C)(C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000121460648 394798321 /nfs/dbraw/zinc/79/83/21/394798321.db2.gz VRTIWIRHBDKQIO-UHFFFAOYSA-N 1 2 277.339 2.451 20 30 CEEDLO CCOC(=O)C(C)(C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000121460648 394798324 /nfs/dbraw/zinc/79/83/24/394798324.db2.gz VRTIWIRHBDKQIO-UHFFFAOYSA-N 1 2 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ZINC000339756140 394969460 /nfs/dbraw/zinc/96/94/60/394969460.db2.gz MIECYQVCJJCQRV-UHFFFAOYSA-N 1 2 284.812 2.315 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000339755204 394969641 /nfs/dbraw/zinc/96/96/41/394969641.db2.gz CEASNZHVBXWKQT-UHFFFAOYSA-N 1 2 287.388 2.498 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000339755204 394969645 /nfs/dbraw/zinc/96/96/45/394969645.db2.gz CEASNZHVBXWKQT-UHFFFAOYSA-N 1 2 287.388 2.498 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000155212651 395026656 /nfs/dbraw/zinc/02/66/56/395026656.db2.gz KCGKPDOJAZCTSM-DZGCQCFKSA-N 1 2 271.364 2.273 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000155212651 395026660 /nfs/dbraw/zinc/02/66/60/395026660.db2.gz KCGKPDOJAZCTSM-DZGCQCFKSA-N 1 2 271.364 2.273 20 30 CEEDLO Cc1cc(NC[C@@H](O)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425218884 395051823 /nfs/dbraw/zinc/05/18/23/395051823.db2.gz AFIWBYXMXXVVSA-OAHLLOKOSA-N 1 2 259.353 2.037 20 30 CEEDLO Cc1cc(N[C@H]2CCc3cn(C(C)C)nc3C2)c(C#N)c[nH+]1 ZINC000425240344 395054070 /nfs/dbraw/zinc/05/40/70/395054070.db2.gz OWCHLJPFQWKDJW-HNNXBMFYSA-N 1 2 295.390 2.430 20 30 CEEDLO Cc1cc(NC[C@](C)(CO)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425258522 395055144 /nfs/dbraw/zinc/05/51/44/395055144.db2.gz TWMLOGCUTQTYRU-GOSISDBHSA-N 1 2 295.386 2.337 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000373301183 395058544 /nfs/dbraw/zinc/05/85/44/395058544.db2.gz SVQDBJPDKAKSHD-UHFFFAOYSA-N 1 2 253.733 2.072 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000373662977 395064564 /nfs/dbraw/zinc/06/45/64/395064564.db2.gz MULGURCRZRBWIL-WMLDXEAASA-N 1 2 285.391 2.026 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000374160374 395075471 /nfs/dbraw/zinc/07/54/71/395075471.db2.gz KQHADBZAIQUTQW-GJZGRUSLSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000374160374 395075478 /nfs/dbraw/zinc/07/54/78/395075478.db2.gz KQHADBZAIQUTQW-GJZGRUSLSA-N 1 2 274.339 2.359 20 30 CEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCCC#N ZINC000374286402 395079415 /nfs/dbraw/zinc/07/94/15/395079415.db2.gz GBDBWWDJRRQIQZ-ZDUSSCGKSA-N 1 2 262.357 2.094 20 30 CEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCCC#N ZINC000374286402 395079418 /nfs/dbraw/zinc/07/94/18/395079418.db2.gz GBDBWWDJRRQIQZ-ZDUSSCGKSA-N 1 2 262.357 2.094 20 30 CEEDLO C=CCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346012837 395084776 /nfs/dbraw/zinc/08/47/76/395084776.db2.gz HHOKCWXHGFRTOO-CQSZACIVSA-N 1 2 260.337 2.418 20 30 CEEDLO C=CCOc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000343158880 395033475 /nfs/dbraw/zinc/03/34/75/395033475.db2.gz SRBFBYRWRCRTLQ-ZDUSSCGKSA-N 1 2 285.347 2.266 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000372639218 395044195 /nfs/dbraw/zinc/04/41/95/395044195.db2.gz MDGKOMPIVWVTEE-INIZCTEOSA-N 1 2 291.395 2.345 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372639218 395044198 /nfs/dbraw/zinc/04/41/98/395044198.db2.gz 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/nfs/dbraw/zinc/21/66/25/395216625.db2.gz MPLWMTRTXWARNS-UHFFFAOYSA-N 1 2 295.371 2.221 20 30 CEEDLO CO[C@@H](C)CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000181559950 395219306 /nfs/dbraw/zinc/21/93/06/395219306.db2.gz ZXUJFQAQSIKHOP-QMMMGPOBSA-N 1 2 276.258 2.377 20 30 CEEDLO C=CCOCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000293168382 395223014 /nfs/dbraw/zinc/22/30/14/395223014.db2.gz RVOVSVHXIGJTNH-UHFFFAOYSA-N 1 2 277.290 2.080 20 30 CEEDLO C=CCOCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000293168382 395223020 /nfs/dbraw/zinc/22/30/20/395223020.db2.gz RVOVSVHXIGJTNH-UHFFFAOYSA-N 1 2 277.290 2.080 20 30 CEEDLO C/C(Cl)=C\C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000528402580 395289995 /nfs/dbraw/zinc/28/99/95/395289995.db2.gz HFEHAMYVSUHBHS-NDZKXSSTSA-N 1 2 291.786 2.001 20 30 CEEDLO C/C(Cl)=C\C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000528402580 395290000 /nfs/dbraw/zinc/29/00/00/395290000.db2.gz HFEHAMYVSUHBHS-NDZKXSSTSA-N 1 2 291.786 2.001 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@](C)(O)C(C)=O ZINC000411188327 395321689 /nfs/dbraw/zinc/32/16/89/395321689.db2.gz LNKQXLZRCFIACS-HNNXBMFYSA-N 1 2 265.328 2.154 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@](C)(O)C(C)=O ZINC000411188327 395321693 /nfs/dbraw/zinc/32/16/93/395321693.db2.gz LNKQXLZRCFIACS-HNNXBMFYSA-N 1 2 265.328 2.154 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000411877325 395341252 /nfs/dbraw/zinc/34/12/52/395341252.db2.gz RYMVOEIVQVJAEG-MJVIPROJSA-N 1 2 294.424 2.237 20 30 CEEDLO Cc1cc(C)c(NC(=O)NCC2(C#N)CC2)c(C)[nH+]1 ZINC000567695103 395535339 /nfs/dbraw/zinc/53/53/39/395535339.db2.gz BHMQVQXUMFBMMG-UHFFFAOYSA-N 1 2 258.325 2.432 20 30 CEEDLO CC[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(C)C ZINC000568399246 395557837 /nfs/dbraw/zinc/55/78/37/395557837.db2.gz GLJBJHFQQAGWHH-OCCSQVGLSA-N 1 2 253.390 2.019 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000568528209 395563182 /nfs/dbraw/zinc/56/31/82/395563182.db2.gz ANOGMJBYXJOBKQ-SMDDNHRTSA-N 1 2 287.363 2.498 20 30 CEEDLO N#CCc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000568899150 395571144 /nfs/dbraw/zinc/57/11/44/395571144.db2.gz LBHGAHDGWRXFLM-ZDUSSCGKSA-N 1 2 280.331 2.150 20 30 CEEDLO Cc1cc(C)c(CNc2nc3c(cc2C#N)COCC3)c[nH+]1 ZINC000450909797 395581046 /nfs/dbraw/zinc/58/10/46/395581046.db2.gz OWIKSASBZVOPHI-UHFFFAOYSA-N 1 2 294.358 2.072 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnnn1Cc1ccccc1 ZINC000572338647 395586093 /nfs/dbraw/zinc/58/60/93/395586093.db2.gz LUBNERVHANRRSE-OAHLLOKOSA-N 1 2 283.379 2.262 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnnn1Cc1ccccc1 ZINC000572338647 395586096 /nfs/dbraw/zinc/58/60/96/395586096.db2.gz LUBNERVHANRRSE-OAHLLOKOSA-N 1 2 283.379 2.262 20 30 CEEDLO C[C@@H](CC(=O)N(CC#N)C1CCCC1)n1cc[nH+]c1 ZINC000574045080 395625377 /nfs/dbraw/zinc/62/53/77/395625377.db2.gz NHPRRMDQQMPPNN-LBPRGKRZSA-N 1 2 260.341 2.129 20 30 CEEDLO N#C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595635111 395666316 /nfs/dbraw/zinc/66/63/16/395666316.db2.gz KJHXJJXEXPUGAN-QXSJWSMHSA-N 1 2 256.349 2.344 20 30 CEEDLO N#C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595635111 395666317 /nfs/dbraw/zinc/66/63/17/395666317.db2.gz KJHXJJXEXPUGAN-QXSJWSMHSA-N 1 2 256.349 2.344 20 30 CEEDLO CO[C@H]1C[NH+](Cc2ccc(Cl)cc2C#N)C[C@@H]1OC ZINC000487990251 395667762 /nfs/dbraw/zinc/66/77/62/395667762.db2.gz QUNRZOJFMIATSL-KBPBESRZSA-N 1 2 280.755 2.057 20 30 CEEDLO Cc1nc(NCc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000488089125 395667995 /nfs/dbraw/zinc/66/79/95/395667995.db2.gz MIKHLAFUFBGCKT-UHFFFAOYSA-N 1 2 289.342 2.481 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000491414989 395669497 /nfs/dbraw/zinc/66/94/97/395669497.db2.gz FPFDHAWEQQXDRD-LLVKDONJSA-N 1 2 262.378 2.301 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000491414989 395669498 /nfs/dbraw/zinc/66/94/98/395669498.db2.gz FPFDHAWEQQXDRD-LLVKDONJSA-N 1 2 262.378 2.301 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000649281336 396111695 /nfs/dbraw/zinc/11/16/95/396111695.db2.gz RILKJJBYFGJBIZ-HUUCEWRRSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000649281336 396111696 /nfs/dbraw/zinc/11/16/96/396111696.db2.gz RILKJJBYFGJBIZ-HUUCEWRRSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000649454069 396157216 /nfs/dbraw/zinc/15/72/16/396157216.db2.gz BEZQQTLEXFWNHD-CABCVRRESA-N 1 2 270.332 2.421 20 30 CEEDLO C=C(C)CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296719530 400324603 /nfs/dbraw/zinc/32/46/03/400324603.db2.gz FWILLFULLLENGY-LLVKDONJSA-N 1 2 262.357 2.089 20 30 CEEDLO CCC[C@@]1(CO)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425271611 400574415 /nfs/dbraw/zinc/57/44/15/400574415.db2.gz VODIUWMUUYHMNK-OAHLLOKOSA-N 1 2 259.353 2.251 20 30 CEEDLO C=CCOCC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650685339 400988627 /nfs/dbraw/zinc/98/86/27/400988627.db2.gz DUHBFDZEAGDQHV-OAHLLOKOSA-N 1 2 299.374 2.023 20 30 CEEDLO Cc1cc(C)c2ncc(C#N)c(NCc3[nH+]ccn3C)c2c1 ZINC000359512056 155037357 /nfs/dbraw/zinc/03/73/57/155037357.db2.gz XPNGWUZQVZPGBA-UHFFFAOYSA-N 1 2 291.358 2.491 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000368449790 156346502 /nfs/dbraw/zinc/34/65/02/156346502.db2.gz CZUOADICLKWXEK-JKSUJKDBSA-N 1 2 298.342 2.258 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000368449790 156346503 /nfs/dbraw/zinc/34/65/03/156346503.db2.gz CZUOADICLKWXEK-JKSUJKDBSA-N 1 2 298.342 2.258 20 30 CEEDLO Cc1cnn(C2C[NH+](Cc3cccc(C#N)c3)C2)c1 ZINC000368688563 156389859 /nfs/dbraw/zinc/38/98/59/156389859.db2.gz JOXCFOOZEIFJCO-UHFFFAOYSA-N 1 2 252.321 2.120 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)s1 ZINC000375467297 157101381 /nfs/dbraw/zinc/10/13/81/157101381.db2.gz HZIRQLIISPMJQM-UONOGXRCSA-N 1 2 290.388 2.190 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)s1 ZINC000375467297 157101382 /nfs/dbraw/zinc/10/13/82/157101382.db2.gz HZIRQLIISPMJQM-UONOGXRCSA-N 1 2 290.388 2.190 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274243015 287130920 /nfs/dbraw/zinc/13/09/20/287130920.db2.gz YCRZNTJAOFREOR-WFASDCNBSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274243015 287130921 /nfs/dbraw/zinc/13/09/21/287130921.db2.gz YCRZNTJAOFREOR-WFASDCNBSA-N 1 2 292.404 2.128 20 30 CEEDLO C=C(C)[C@@H]([NH2+][C@H]1CON(CC)C1=O)c1ccc(F)c(F)c1 ZINC000660312271 414765603 /nfs/dbraw/zinc/76/56/03/414765603.db2.gz OYLBTRXTTAKMKE-UONOGXRCSA-N 1 2 296.317 2.334 20 30 CEEDLO C=C(C)[C@H](CO)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653911902 414787703 /nfs/dbraw/zinc/78/77/03/414787703.db2.gz LYARRWILXAXGEU-CABCVRRESA-N 1 2 272.348 2.485 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2F)nn1 ZINC000657493047 414972163 /nfs/dbraw/zinc/97/21/63/414972163.db2.gz VAFYMJDVOWKEQK-CHWSQXEVSA-N 1 2 252.337 2.225 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)c(C)n2)nn1 ZINC000657487408 414966258 /nfs/dbraw/zinc/96/62/58/414966258.db2.gz APCKGDAPZNMDNF-UHFFFAOYSA-N 1 2 271.368 2.156 20 30 CEEDLO C=C(CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000655079372 415094954 /nfs/dbraw/zinc/09/49/54/415094954.db2.gz QEBFZCSGZHUDOO-GFCCVEGCSA-N 1 2 269.348 2.418 20 30 CEEDLO C=C(CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000655079372 415094958 /nfs/dbraw/zinc/09/49/58/415094958.db2.gz QEBFZCSGZHUDOO-GFCCVEGCSA-N 1 2 269.348 2.418 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000653761752 415095161 /nfs/dbraw/zinc/09/51/61/415095161.db2.gz FFRQARXBPYDDJT-IAGOWNOFSA-N 1 2 298.390 2.162 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000653761752 415095164 /nfs/dbraw/zinc/09/51/64/415095164.db2.gz FFRQARXBPYDDJT-IAGOWNOFSA-N 1 2 298.390 2.162 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)nn1 ZINC000653761753 415095223 /nfs/dbraw/zinc/09/52/23/415095223.db2.gz FFRQARXBPYDDJT-IRXDYDNUSA-N 1 2 298.390 2.162 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)nn1 ZINC000653761753 415095227 /nfs/dbraw/zinc/09/52/27/415095227.db2.gz FFRQARXBPYDDJT-IRXDYDNUSA-N 1 2 298.390 2.162 20 30 CEEDLO C=CC[N@H+](Cc1ncnn1C(C)(C)C)[C@@H](C)COC ZINC000661240617 415151959 /nfs/dbraw/zinc/15/19/59/415151959.db2.gz PBPILJIONVLJIY-LBPRGKRZSA-N 1 2 266.389 2.056 20 30 CEEDLO C=CC[N@@H+](Cc1ncnn1C(C)(C)C)[C@@H](C)COC ZINC000661240617 415151962 /nfs/dbraw/zinc/15/19/62/415151962.db2.gz PBPILJIONVLJIY-LBPRGKRZSA-N 1 2 266.389 2.056 20 30 CEEDLO C=CC[N@H+](Cc1nccn1C(F)F)[C@H](C)COC ZINC000661243387 415153710 /nfs/dbraw/zinc/15/37/10/415153710.db2.gz KDKDHPHGGCADQI-SNVBAGLBSA-N 1 2 259.300 2.301 20 30 CEEDLO C=CC[N@@H+](Cc1nccn1C(F)F)[C@H](C)COC ZINC000661243387 415153718 /nfs/dbraw/zinc/15/37/18/415153718.db2.gz KDKDHPHGGCADQI-SNVBAGLBSA-N 1 2 259.300 2.301 20 30 CEEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OCC)no1)[C@H](C)COC ZINC000661244156 415154855 /nfs/dbraw/zinc/15/48/55/415154855.db2.gz QWOJSOATTZWVMM-VXGBXAGGSA-N 1 2 283.372 2.190 20 30 CEEDLO C=CC[N@H+](Cc1nc([C@@H](C)OCC)no1)[C@H](C)COC ZINC000661244156 415154858 /nfs/dbraw/zinc/15/48/58/415154858.db2.gz QWOJSOATTZWVMM-VXGBXAGGSA-N 1 2 283.372 2.190 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663966285 415103590 /nfs/dbraw/zinc/10/35/90/415103590.db2.gz WAZJZWZQZDINTA-UHFFFAOYSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663966285 415103595 /nfs/dbraw/zinc/10/35/95/415103595.db2.gz WAZJZWZQZDINTA-UHFFFAOYSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC[C@H](CC)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661123527 415104670 /nfs/dbraw/zinc/10/46/70/415104670.db2.gz PZRVFORCATXEOS-MNOVXSKESA-N 1 2 250.346 2.135 20 30 CEEDLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661150539 415112338 /nfs/dbraw/zinc/11/23/38/415112338.db2.gz MYTYSUVGAZVPDM-CQSZACIVSA-N 1 2 299.374 2.453 20 30 CEEDLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661150539 415112343 /nfs/dbraw/zinc/11/23/43/415112343.db2.gz MYTYSUVGAZVPDM-CQSZACIVSA-N 1 2 299.374 2.453 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)C1=O ZINC000661550287 415321202 /nfs/dbraw/zinc/32/12/02/415321202.db2.gz XSCLLXGAJURRBV-GHMZBOCLSA-N 1 2 260.312 2.354 20 30 CEEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661572126 415332061 /nfs/dbraw/zinc/33/20/61/415332061.db2.gz VMPILJHKEDMTEU-UHFFFAOYSA-N 1 2 279.409 2.151 20 30 CEEDLO C=CCCC(C)(C)NC(=O)NCc1[nH+]ccn1CC ZINC000664995349 415548125 /nfs/dbraw/zinc/54/81/25/415548125.db2.gz GYTMMZQRPIRBNX-UHFFFAOYSA-N 1 2 264.373 2.447 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000656681833 415810035 /nfs/dbraw/zinc/81/00/35/415810035.db2.gz MKDBRMYBWQQLOJ-NWDGAFQWSA-N 1 2 279.409 2.383 20 30 CEEDLO N#CC[C@H](CC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000354578116 227038755 /nfs/dbraw/zinc/03/87/55/227038755.db2.gz YRVIPVBTSUKJIM-OAHLLOKOSA-N 1 2 282.347 2.087 20 30 CEEDLO C[C@@H]1C[C@@H]1NC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329271320 227396589 /nfs/dbraw/zinc/39/65/89/227396589.db2.gz JFRRNTDWRLTTIN-UTUOFQBUSA-N 1 2 290.411 2.407 20 30 CEEDLO C[C@@H]1C[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329271320 227396598 /nfs/dbraw/zinc/39/65/98/227396598.db2.gz JFRRNTDWRLTTIN-UTUOFQBUSA-N 1 2 290.411 2.407 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ncnn1-c1ccccc1 ZINC000331577958 228112733 /nfs/dbraw/zinc/11/27/33/228112733.db2.gz RUBSCKVMJZVOMF-TZMCWYRMSA-N 1 2 267.336 2.049 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCc2ccccc21 ZINC000330185063 228058689 /nfs/dbraw/zinc/05/86/89/228058689.db2.gz RDFDWQXVRVRSLI-UKRRQHHQSA-N 1 2 296.374 2.389 20 30 CEEDLO [O-]C(N[C@@H]1CCc2ccccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330185063 228058692 /nfs/dbraw/zinc/05/86/92/228058692.db2.gz RDFDWQXVRVRSLI-UKRRQHHQSA-N 1 2 296.374 2.389 20 30 CEEDLO C=CCNC(=O)C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312550841 260147400 /nfs/dbraw/zinc/14/74/00/260147400.db2.gz AHLUHECGVFFRIO-UHFFFAOYSA-N 1 2 279.192 2.447 20 30 CEEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1cccc(Cl)c1 ZINC000067097778 260250514 /nfs/dbraw/zinc/25/05/14/260250514.db2.gz IURSBFBDUMSEJQ-UHFFFAOYSA-N 1 2 292.726 2.438 20 30 CEEDLO COc1cccc([C@@H](CNc2cc(C)[nH+]cc2C#N)OC)c1 ZINC000528070699 269794619 /nfs/dbraw/zinc/79/46/19/269794619.db2.gz PGFRRTNGGGTSHF-QGZVFWFLSA-N 1 2 297.358 2.492 20 30 CEEDLO Cc1ccsc1C[N@H+](CCC#N)CCN1CCOCC1 ZINC000154773745 261094681 /nfs/dbraw/zinc/09/46/81/261094681.db2.gz VPBQLHOJWDOXAB-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO Cc1ccsc1C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000154773745 261094682 /nfs/dbraw/zinc/09/46/82/261094682.db2.gz VPBQLHOJWDOXAB-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO Cc1ccsc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154773745 261094680 /nfs/dbraw/zinc/09/46/80/261094680.db2.gz VPBQLHOJWDOXAB-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO Cc1csc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158226172 261161562 /nfs/dbraw/zinc/16/15/62/261161562.db2.gz OAHRMYANOPRQOD-UHFFFAOYSA-N 1 2 289.360 2.224 20 30 CEEDLO CCn1cc[nH+]c1CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000364016993 262102362 /nfs/dbraw/zinc/10/23/62/262102362.db2.gz ZBTUVPOWNNKJEZ-GDBMZVCRSA-N 1 2 288.395 2.330 20 30 CEEDLO N#CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000364881952 262263867 /nfs/dbraw/zinc/26/38/67/262263867.db2.gz JQGSRDMPSHCTHY-UHFFFAOYSA-N 1 2 278.315 2.454 20 30 CEEDLO C=C(C)CN(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000365012024 262267538 /nfs/dbraw/zinc/26/75/38/262267538.db2.gz INRAWIATVAWAQG-ZDUSSCGKSA-N 1 2 276.384 2.286 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1CC#N ZINC000270132378 262983011 /nfs/dbraw/zinc/98/30/11/262983011.db2.gz HDXSEHYPFZQDPV-CYBMUJFWSA-N 1 2 254.337 2.333 20 30 CEEDLO CN(C(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272577605 263006974 /nfs/dbraw/zinc/00/69/74/263006974.db2.gz NXLLWUQHNQLOOY-UHFFFAOYSA-N 1 2 271.364 2.275 20 30 CEEDLO C=C(C)CS(=O)(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000280575470 263063032 /nfs/dbraw/zinc/06/30/32/263063032.db2.gz MAZBZVKSNMIIMH-UHFFFAOYSA-N 1 2 299.440 2.063 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1C ZINC000282212275 263075049 /nfs/dbraw/zinc/07/50/49/263075049.db2.gz OLYRDQHFVDMSMJ-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1C ZINC000282212275 263075050 /nfs/dbraw/zinc/07/50/50/263075050.db2.gz OLYRDQHFVDMSMJ-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284554980 263087390 /nfs/dbraw/zinc/08/73/90/263087390.db2.gz WBLCYEPNWGCJEL-AWEZNQCLSA-N 1 2 287.363 2.456 20 30 CEEDLO Cc1ccc(-c2csc(CO[NH+]=C(N)CCO)n2)cc1 ZINC000284969533 263088813 /nfs/dbraw/zinc/08/88/13/263088813.db2.gz BFGPZCAHAJLTLC-UHFFFAOYSA-N 1 2 291.376 2.290 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000285055413 263089790 /nfs/dbraw/zinc/08/97/90/263089790.db2.gz ACUQCEGJEVAMJO-AWEZNQCLSA-N 1 2 260.341 2.056 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1 ZINC000285841291 263095984 /nfs/dbraw/zinc/09/59/84/263095984.db2.gz 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/nfs/dbraw/zinc/17/12/58/263171258.db2.gz QXIIQUMVICFQQF-CZUORRHYSA-N 1 2 286.379 2.109 20 30 CEEDLO COc1nccc(CNc2[nH+]cccc2OCCCC#N)n1 ZINC000295776026 263182052 /nfs/dbraw/zinc/18/20/52/263182052.db2.gz APEPWCFMJXOTEA-UHFFFAOYSA-N 1 2 299.334 2.175 20 30 CEEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC(C)(C)CC#N ZINC000296313308 263189537 /nfs/dbraw/zinc/18/95/37/263189537.db2.gz OJJOWSYTNXEJLO-UHFFFAOYSA-N 1 2 281.381 2.178 20 30 CEEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000297826225 263210164 /nfs/dbraw/zinc/21/01/64/263210164.db2.gz JNZYQCSEAZZWJS-ZDUSSCGKSA-N 1 2 289.354 2.276 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nncn1C ZINC000299026624 263229364 /nfs/dbraw/zinc/22/93/64/263229364.db2.gz RFNLPBWRFXBUAA-LBPRGKRZSA-N 1 2 260.341 2.200 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nncn1C ZINC000299026624 263229366 /nfs/dbraw/zinc/22/93/66/263229366.db2.gz RFNLPBWRFXBUAA-LBPRGKRZSA-N 1 2 260.341 2.200 20 30 CEEDLO Cc1cc(=O)[nH]cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328939461 263894748 /nfs/dbraw/zinc/89/47/48/263894748.db2.gz KLDYHAIPTMKPJZ-SNVBAGLBSA-N 1 2 272.308 2.143 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CC(F)F ZINC000330995269 264105226 /nfs/dbraw/zinc/10/52/26/264105226.db2.gz WOPMYSGLOVPYTL-UHFFFAOYSA-N 1 2 274.315 2.150 20 30 CEEDLO CC(C)=CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000331077141 264115094 /nfs/dbraw/zinc/11/50/94/264115094.db2.gz JGQSDNBVJBKJDM-AWEZNQCLSA-N 1 2 275.352 2.415 20 30 CEEDLO CCCN(CCO)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331226737 264150542 /nfs/dbraw/zinc/15/05/42/264150542.db2.gz CXLGFSBSTJYELZ-UHFFFAOYSA-N 1 2 265.357 2.257 20 30 CEEDLO CSC[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331217471 264165131 /nfs/dbraw/zinc/16/51/31/264165131.db2.gz GEIRPKMOOBVCAY-SNVBAGLBSA-N 1 2 282.413 2.255 20 30 CEEDLO CSC[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331217471 264165133 /nfs/dbraw/zinc/16/51/33/264165133.db2.gz GEIRPKMOOBVCAY-SNVBAGLBSA-N 1 2 282.413 2.255 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000331320192 264188886 /nfs/dbraw/zinc/18/88/86/264188886.db2.gz DWGBNELOYKIGKP-GXFFZTMASA-N 1 2 261.300 2.046 20 30 CEEDLO Cc1cc(C)c(NC(=O)NCC[C@H](C)O)c(C)[nH+]1 ZINC000331331538 264191997 /nfs/dbraw/zinc/19/19/97/264191997.db2.gz ORIZSWREJPXHGD-JTQLQIEISA-N 1 2 251.330 2.104 20 30 CEEDLO CCN(CCCO)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331291563 264197009 /nfs/dbraw/zinc/19/70/09/264197009.db2.gz BKVBCGJXAZKKST-UHFFFAOYSA-N 1 2 265.357 2.257 20 30 CEEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000128534675 264290433 /nfs/dbraw/zinc/29/04/33/264290433.db2.gz JDLHMZBGJOSQPD-LBPRGKRZSA-N 1 2 279.409 2.150 20 30 CEEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000128534935 264290582 /nfs/dbraw/zinc/29/05/82/264290582.db2.gz JDLHMZBGJOSQPD-GFCCVEGCSA-N 1 2 279.409 2.150 20 30 CEEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000281434081 264486121 /nfs/dbraw/zinc/48/61/21/264486121.db2.gz RRFOXAPIKDAZTF-AWEZNQCLSA-N 1 2 291.395 2.462 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CC(C)=C[C@H](C)C1)C(=O)OC ZINC000356313015 266093683 /nfs/dbraw/zinc/09/36/83/266093683.db2.gz DBDDHUVQGBVGFS-QEJZJMRPSA-N 1 2 281.396 2.313 20 30 CEEDLO C=CCN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356479449 266122137 /nfs/dbraw/zinc/12/21/37/266122137.db2.gz YWMRRHMIRYFTRA-UHFFFAOYSA-N 1 2 255.321 2.189 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000362370827 266971557 /nfs/dbraw/zinc/97/15/57/266971557.db2.gz NQAMYKZSPCBQNG-LLVKDONJSA-N 1 2 258.325 2.016 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428415346 266991260 /nfs/dbraw/zinc/99/12/60/266991260.db2.gz UUZNQROURRTLMI-CYBMUJFWSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428415346 266991261 /nfs/dbraw/zinc/99/12/61/266991261.db2.gz UUZNQROURRTLMI-CYBMUJFWSA-N 1 2 289.354 2.188 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000363254465 267082709 /nfs/dbraw/zinc/08/27/09/267082709.db2.gz GAADVXPTPRWHBP-ZDUSSCGKSA-N 1 2 258.369 2.165 20 30 CEEDLO CC#CC[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000363254465 267082711 /nfs/dbraw/zinc/08/27/11/267082711.db2.gz GAADVXPTPRWHBP-ZDUSSCGKSA-N 1 2 258.369 2.165 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cn1 ZINC000115329812 267095492 /nfs/dbraw/zinc/09/54/92/267095492.db2.gz CIEOIRGPNILZAL-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1nn(C(C)C)cc1C#N ZINC000492486873 267255195 /nfs/dbraw/zinc/25/51/95/267255195.db2.gz BZLMEKYPSULHSP-AATRIKPKSA-N 1 2 298.350 2.204 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)NCc1cccc(C#N)c1 ZINC000492315948 267256431 /nfs/dbraw/zinc/25/64/31/267256431.db2.gz CWJRPMGFDXNDJF-SREVYHEPSA-N 1 2 280.331 2.104 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)c1ccccc1C#N ZINC000492412530 267256446 /nfs/dbraw/zinc/25/64/46/267256446.db2.gz VQZDMFWFRDYEKN-HJWRWDBZSA-N 1 2 280.331 2.451 20 30 CEEDLO Cn1cc(C[N@H+](C)Cc2cccc(F)c2C#N)cn1 ZINC000428458689 267322813 /nfs/dbraw/zinc/32/28/13/267322813.db2.gz DCHNKZYLETYXME-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO Cn1cc(C[N@@H+](C)Cc2cccc(F)c2C#N)cn1 ZINC000428458689 267322817 /nfs/dbraw/zinc/32/28/17/267322817.db2.gz DCHNKZYLETYXME-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000370505051 267325354 /nfs/dbraw/zinc/32/53/54/267325354.db2.gz PBJIIZLAHYQWEG-STQMWFEESA-N 1 2 265.357 2.232 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000370505051 267325356 /nfs/dbraw/zinc/32/53/56/267325356.db2.gz PBJIIZLAHYQWEG-STQMWFEESA-N 1 2 265.357 2.232 20 30 CEEDLO C#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000371189560 267364314 /nfs/dbraw/zinc/36/43/14/267364314.db2.gz UYYPDPLKMZGSFI-CYBMUJFWSA-N 1 2 296.292 2.202 20 30 CEEDLO C#CCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000371189560 267364317 /nfs/dbraw/zinc/36/43/17/267364317.db2.gz UYYPDPLKMZGSFI-CYBMUJFWSA-N 1 2 296.292 2.202 20 30 CEEDLO CC(C)=CC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000336508232 277325277 /nfs/dbraw/zinc/32/52/77/277325277.db2.gz ITDHHJAIOZBLGX-SUMWQHHRSA-N 1 2 281.359 2.298 20 30 CEEDLO CC(C)=CC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000336508232 277325279 /nfs/dbraw/zinc/32/52/79/277325279.db2.gz ITDHHJAIOZBLGX-SUMWQHHRSA-N 1 2 281.359 2.298 20 30 CEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)COC2 ZINC000330288812 279716790 /nfs/dbraw/zinc/71/67/90/279716790.db2.gz BTKULHALTCNFGK-AWEZNQCLSA-N 1 2 283.331 2.233 20 30 CEEDLO Cc1nnc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)c1C ZINC000333694847 293860125 /nfs/dbraw/zinc/86/01/25/293860125.db2.gz MZJXPXSTUAZIFC-PRHODGIISA-N 1 2 268.324 2.280 20 30 CEEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352456711 328751602 /nfs/dbraw/zinc/75/16/02/328751602.db2.gz ABXBNEUGCGWUFR-STQMWFEESA-N 1 2 281.375 2.104 20 30 CEEDLO Cc1cc(N2CCC(c3ccnn3C)CC2)c(C#N)c[nH+]1 ZINC000576340761 314266060 /nfs/dbraw/zinc/26/60/60/314266060.db2.gz MBXPVURVFQBYHW-UHFFFAOYSA-N 1 2 281.363 2.379 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000563327461 328054431 /nfs/dbraw/zinc/05/44/31/328054431.db2.gz FHKDBGLZZBUUFS-NHYWBVRUSA-N 1 2 274.368 2.444 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000563327461 328054433 /nfs/dbraw/zinc/05/44/33/328054433.db2.gz FHKDBGLZZBUUFS-NHYWBVRUSA-N 1 2 274.368 2.444 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000563368274 328059795 /nfs/dbraw/zinc/05/97/95/328059795.db2.gz UTAKTNGCKPECOR-AWEZNQCLSA-N 1 2 284.363 2.215 20 30 CEEDLO C[C@H](O)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1F ZINC000571284127 328097609 /nfs/dbraw/zinc/09/76/09/328097609.db2.gz LRWADXFOLLLVQZ-SLEUVZQESA-N 1 2 275.327 2.281 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412042703 328102290 /nfs/dbraw/zinc/10/22/90/328102290.db2.gz OYMMOCODABBXBL-GHMZBOCLSA-N 1 2 282.413 2.002 20 30 CEEDLO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000278618718 328228375 /nfs/dbraw/zinc/22/83/75/328228375.db2.gz GEWREQDFUDMSGD-DYEKYZERSA-N 1 2 290.388 2.187 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(C(F)F)c1 ZINC000279913934 328233819 /nfs/dbraw/zinc/23/38/19/328233819.db2.gz SEKIAZXSBRHRNM-UHFFFAOYSA-N 1 2 299.321 2.328 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285514454 328247981 /nfs/dbraw/zinc/24/79/81/328247981.db2.gz QJBIPTMJMZVUJB-MRXNPFEDSA-N 1 2 286.379 2.238 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@]1(C#N)CC1(C)C ZINC000291525247 328264351 /nfs/dbraw/zinc/26/43/51/328264351.db2.gz YVDHYLVQAKCMRG-QGZVFWFLSA-N 1 2 296.374 2.407 20 30 CEEDLO Cc1nocc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000295062375 328284452 /nfs/dbraw/zinc/28/44/52/328284452.db2.gz ZZTSHYXPPWIMRF-KRWDZBQOSA-N 1 2 296.374 2.366 20 30 CEEDLO C=CCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000077238882 327131666 /nfs/dbraw/zinc/13/16/66/327131666.db2.gz BQSZVGKRSPIWNZ-UHFFFAOYSA-N 1 2 264.325 2.307 20 30 CEEDLO Cc1ccc(N(CCC#N)C(=O)Cn2cc[nH+]c2)cc1C ZINC000078288647 327134644 /nfs/dbraw/zinc/13/46/44/327134644.db2.gz WRQAFDLUIQNGPX-UHFFFAOYSA-N 1 2 282.347 2.447 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569579718 327201075 /nfs/dbraw/zinc/20/10/75/327201075.db2.gz UWTIDWJTAAVEMX-QWHCGFSZSA-N 1 2 261.369 2.307 20 30 CEEDLO CCCOc1ccc(/C=[NH+]/C[C@@H](C)C(=O)OC)c(O)c1 ZINC000101799858 327222779 /nfs/dbraw/zinc/22/27/79/327222779.db2.gz UASYFOLFYHVFCG-HPUUJOOBSA-N 1 2 279.336 2.409 20 30 CEEDLO C[C@@H](CC(=O)N(CCC#N)Cc1cccnc1)n1cc[nH+]c1 ZINC000560337025 327299935 /nfs/dbraw/zinc/29/99/35/327299935.db2.gz AQFUHXARFBWOEE-AWEZNQCLSA-N 1 2 297.362 2.172 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1COCc2ccccc21 ZINC000574312920 327312477 /nfs/dbraw/zinc/31/24/77/327312477.db2.gz PHIQFBWVMGHOJS-WFASDCNBSA-N 1 2 255.321 2.291 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377583252 329019578 /nfs/dbraw/zinc/01/95/78/329019578.db2.gz LZPRJUPYUWCTAL-NSHDSACASA-N 1 2 277.372 2.020 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377583252 329019579 /nfs/dbraw/zinc/01/95/79/329019579.db2.gz 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/nfs/dbraw/zinc/39/20/23/330392023.db2.gz XHTZDTFKJJYFFD-UHFFFAOYSA-N 1 2 261.369 2.366 20 30 CEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000449818243 330951314 /nfs/dbraw/zinc/95/13/14/330951314.db2.gz KULQJOQHVXAGFC-WBMJQRKESA-N 1 2 280.331 2.038 20 30 CEEDLO N#CC1(C[NH+]2CCN(c3cccc(O)c3)CC2)CCC1 ZINC000450252339 330968538 /nfs/dbraw/zinc/96/85/38/330968538.db2.gz YGNAEFSJOYCKGA-UHFFFAOYSA-N 1 2 271.364 2.208 20 30 CEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](F)C1 ZINC000451185100 331019300 /nfs/dbraw/zinc/01/93/00/331019300.db2.gz AAKCMBLCWLSHOB-KGLIPLIRSA-N 1 2 289.354 2.366 20 30 CEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](F)C1 ZINC000451185100 331019301 /nfs/dbraw/zinc/01/93/01/331019301.db2.gz AAKCMBLCWLSHOB-KGLIPLIRSA-N 1 2 289.354 2.366 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451878228 331046008 /nfs/dbraw/zinc/04/60/08/331046008.db2.gz LTZLUMSYHPABAM-HNNXBMFYSA-N 1 2 298.390 2.392 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451878228 331046009 /nfs/dbraw/zinc/04/60/09/331046009.db2.gz LTZLUMSYHPABAM-HNNXBMFYSA-N 1 2 298.390 2.392 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NCc1[nH+]ccn1CC ZINC000454795449 331153767 /nfs/dbraw/zinc/15/37/67/331153767.db2.gz AUAJYOOGHRXQLV-GFCCVEGCSA-N 1 2 264.373 2.447 20 30 CEEDLO C=C(CC)CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000455550238 331172852 /nfs/dbraw/zinc/17/28/52/331172852.db2.gz YBHIZOOZGORXCC-LBPRGKRZSA-N 1 2 276.384 2.479 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456122145 331184851 /nfs/dbraw/zinc/18/48/51/331184851.db2.gz YXCLYALUDMRQMQ-KGLIPLIRSA-N 1 2 282.428 2.204 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456122145 331184852 /nfs/dbraw/zinc/18/48/52/331184852.db2.gz YXCLYALUDMRQMQ-KGLIPLIRSA-N 1 2 282.428 2.204 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456352906 331190655 /nfs/dbraw/zinc/19/06/55/331190655.db2.gz MBNRHILZXVABTQ-SWLSCSKDSA-N 1 2 279.384 2.309 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456400158 331192183 /nfs/dbraw/zinc/19/21/83/331192183.db2.gz DHMNZVZLRQRFMM-YWPYICTPSA-N 1 2 277.368 2.234 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Br)cn1 ZINC000164686056 331284638 /nfs/dbraw/zinc/28/46/38/331284638.db2.gz DBDMKFXPIZVFHP-UHFFFAOYSA-N 1 2 268.158 2.483 20 30 CEEDLO C#CCN(CC)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000490615432 332095475 /nfs/dbraw/zinc/09/54/75/332095475.db2.gz FCSOPTGZRUEOJJ-YFHOEESVSA-N 1 2 279.343 2.367 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1Cl ZINC000490838243 332119057 /nfs/dbraw/zinc/11/90/57/332119057.db2.gz AHHHSFXBJSMCOS-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1Cl ZINC000490838243 332119058 /nfs/dbraw/zinc/11/90/58/332119058.db2.gz AHHHSFXBJSMCOS-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(C#N)c1 ZINC000490851385 332120586 /nfs/dbraw/zinc/12/05/86/332120586.db2.gz HBOJMRMSWMBGNZ-UHFFFAOYSA-N 1 2 252.317 2.025 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(C#N)c1 ZINC000490851385 332120588 /nfs/dbraw/zinc/12/05/88/332120588.db2.gz HBOJMRMSWMBGNZ-UHFFFAOYSA-N 1 2 252.317 2.025 20 30 CEEDLO C#CC[NH+](CC#C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000490987097 332136523 /nfs/dbraw/zinc/13/65/23/332136523.db2.gz XVZCXHUTFLTHTQ-AWEZNQCLSA-N 1 2 265.715 2.081 20 30 CEEDLO N#CCN(C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000491533563 332231107 /nfs/dbraw/zinc/23/11/07/332231107.db2.gz QOFWRJWAVQRYMF-BAQGIRSFSA-N 1 2 292.342 2.400 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491619527 332245753 /nfs/dbraw/zinc/24/57/53/332245753.db2.gz BILSSUIPJZHUBK-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491619527 332245754 /nfs/dbraw/zinc/24/57/54/332245754.db2.gz BILSSUIPJZHUBK-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO C#C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC000491750213 332326893 /nfs/dbraw/zinc/32/68/93/332326893.db2.gz UQDRGJLIZROMAM-CYBMUJFWSA-N 1 2 255.321 2.030 20 30 CEEDLO C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC000491773806 332339820 /nfs/dbraw/zinc/33/98/20/332339820.db2.gz CQARSWMHRHAMQP-CYBMUJFWSA-N 1 2 259.353 2.239 20 30 CEEDLO C#C[C@H](CC)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491774843 332340465 /nfs/dbraw/zinc/34/04/65/332340465.db2.gz CWIVQKZXJYSKKD-OAHLLOKOSA-N 1 2 267.332 2.073 20 30 CEEDLO C#C[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491790135 332352164 /nfs/dbraw/zinc/35/21/64/332352164.db2.gz XLZXOGPYPUYTAV-LSDHHAIUSA-N 1 2 296.374 2.221 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC#Cc1ccccc1 ZINC000492296420 332391353 /nfs/dbraw/zinc/39/13/53/332391353.db2.gz GBRRHHXOHOURET-KHPPLWFESA-N 1 2 279.343 2.084 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492862834 332416580 /nfs/dbraw/zinc/41/65/80/332416580.db2.gz LDYHYHRSUBPWNK-WAYWQWQTSA-N 1 2 271.320 2.273 20 30 CEEDLO C[C@H]([NH2+]CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495272205 332513617 /nfs/dbraw/zinc/51/36/17/332513617.db2.gz YBDZBZUAOGFPBK-NWDGAFQWSA-N 1 2 267.373 2.135 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CC(C)(C#N)C2)C1 ZINC000496801327 332560541 /nfs/dbraw/zinc/56/05/41/332560541.db2.gz ZYJYSLRRLOTAKB-ZDUSSCGKSA-N 1 2 293.411 2.479 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000575813429 335118286 /nfs/dbraw/zinc/11/82/86/335118286.db2.gz WNZBWNHKGDFCIP-UZZMVUAXSA-N 1 2 289.423 2.353 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000178505741 333074468 /nfs/dbraw/zinc/07/44/68/333074468.db2.gz ZHENSKGFMBYROU-STQMWFEESA-N 1 2 277.368 2.094 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000178505741 333074470 /nfs/dbraw/zinc/07/44/70/333074470.db2.gz ZHENSKGFMBYROU-STQMWFEESA-N 1 2 277.368 2.094 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000516876035 333085114 /nfs/dbraw/zinc/08/51/14/333085114.db2.gz KYDRRGVTLGLBFA-CQSZACIVSA-N 1 2 256.309 2.065 20 30 CEEDLO COC(=O)[C@H]([NH2+]CCCCC#N)c1ccccc1C ZINC000184997979 333134290 /nfs/dbraw/zinc/13/42/90/333134290.db2.gz XSRGQFBWGFDTQS-CQSZACIVSA-N 1 2 260.337 2.493 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000186127165 333155372 /nfs/dbraw/zinc/15/53/72/333155372.db2.gz XHGYQWTUDSFXLF-NSHDSACASA-N 1 2 294.399 2.085 20 30 CEEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195309787 333249844 /nfs/dbraw/zinc/24/98/44/333249844.db2.gz SPFPPLDTLUAERL-DZGCQCFKSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)(C)c1nc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000541019248 333759153 /nfs/dbraw/zinc/75/91/53/333759153.db2.gz DTNYJJLUTQHNCU-UHFFFAOYSA-N 1 2 262.357 2.493 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC#N ZINC000134642602 334098811 /nfs/dbraw/zinc/09/88/11/334098811.db2.gz QHQPHPOHYJMTRM-NWDGAFQWSA-N 1 2 267.373 2.278 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC#N ZINC000134642602 334098812 /nfs/dbraw/zinc/09/88/12/334098812.db2.gz QHQPHPOHYJMTRM-NWDGAFQWSA-N 1 2 267.373 2.278 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000548788339 334174086 /nfs/dbraw/zinc/17/40/86/334174086.db2.gz KZUVPWNMXABBTD-CQSZACIVSA-N 1 2 296.374 2.112 20 30 CEEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](C#N)CCC#N ZINC000247088332 334275544 /nfs/dbraw/zinc/27/55/44/334275544.db2.gz PQSJITURTMRIMG-VLIAUNLRSA-N 1 2 289.404 2.299 20 30 CEEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](C#N)CCC#N ZINC000247088332 334275546 /nfs/dbraw/zinc/27/55/46/334275546.db2.gz PQSJITURTMRIMG-VLIAUNLRSA-N 1 2 289.404 2.299 20 30 CEEDLO N#CC1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCC1 ZINC000555547615 334481293 /nfs/dbraw/zinc/48/12/93/334481293.db2.gz OOGBMIYMNUPAME-UHFFFAOYSA-N 1 2 294.358 2.036 20 30 CEEDLO Cc1ccccc1SCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572933964 334892100 /nfs/dbraw/zinc/89/21/00/334892100.db2.gz BLBAEZIOZHMDNA-OAHLLOKOSA-N 1 2 291.420 2.047 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000578112995 335499385 /nfs/dbraw/zinc/49/93/85/335499385.db2.gz RDXCWBLUFBTCBO-QGZVFWFLSA-N 1 2 298.390 2.238 20 30 CEEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)co1 ZINC000874895440 649865445 /nfs/dbraw/zinc/86/54/45/649865445.db2.gz UOTYYZVGRJXYMG-OAHLLOKOSA-N 1 2 299.305 2.077 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000874901458 649865787 /nfs/dbraw/zinc/86/57/87/649865787.db2.gz RUXUGKZMRLLZMB-LLVKDONJSA-N 1 2 298.321 2.403 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000594009493 500720019 /nfs/dbraw/zinc/72/00/19/500720019.db2.gz WPUVNZZWYSDSQO-GXTWGEPZSA-N 1 2 257.337 2.074 20 30 CEEDLO COc1cc(CNc2cc[nH+]c(C3CC3)n2)ccc1C#N ZINC000357619287 533831200 /nfs/dbraw/zinc/83/12/00/533831200.db2.gz QLKNDOCLTSOGOE-UHFFFAOYSA-N 1 2 280.331 2.268 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@H](C)C#N ZINC000353453632 534292251 /nfs/dbraw/zinc/29/22/51/534292251.db2.gz FUSLVNRQRHGAFM-CHWSQXEVSA-N 1 2 291.370 2.264 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@H](C)C#N ZINC000353453632 534292252 /nfs/dbraw/zinc/29/22/52/534292252.db2.gz FUSLVNRQRHGAFM-CHWSQXEVSA-N 1 2 291.370 2.264 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000184196485 518628025 /nfs/dbraw/zinc/62/80/25/518628025.db2.gz UBMMJRNDACVGJH-OLZOCXBDSA-N 1 2 295.452 2.224 20 30 CEEDLO C=CCN(CCc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000062465303 518774960 /nfs/dbraw/zinc/77/49/60/518774960.db2.gz FAGSDGUKWNVBMZ-UHFFFAOYSA-N 1 2 298.390 2.323 20 30 CEEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(CC#N)cc1)C2 ZINC000366994513 534503928 /nfs/dbraw/zinc/50/39/28/534503928.db2.gz PWCJWMMBVOZUCP-OAHLLOKOSA-N 1 2 294.358 2.002 20 30 CEEDLO Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)c1 ZINC000336233558 534708012 /nfs/dbraw/zinc/70/80/12/534708012.db2.gz DJLSBMXSIRYVMX-MAUKXSAKSA-N 1 2 297.402 2.189 20 30 CEEDLO C=CC[N@@H+](Cc1ccsc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000350629513 526379232 /nfs/dbraw/zinc/37/92/32/526379232.db2.gz PBAGDSVFIOSESC-CYBMUJFWSA-N 1 2 285.434 2.232 20 30 CEEDLO C=CC[N@H+](Cc1ccsc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000350629513 526379239 /nfs/dbraw/zinc/37/92/39/526379239.db2.gz PBAGDSVFIOSESC-CYBMUJFWSA-N 1 2 285.434 2.232 20 30 CEEDLO C=CCOCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000354715568 526726956 /nfs/dbraw/zinc/72/69/56/526726956.db2.gz WZDFGTIIHIGPPB-UHFFFAOYSA-N 1 2 295.408 2.270 20 30 CEEDLO C=C1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000336175534 526908427 /nfs/dbraw/zinc/90/84/27/526908427.db2.gz XMIHZVABLVDXSY-LLVKDONJSA-N 1 2 276.302 2.192 20 30 CEEDLO C=CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000344617787 526996743 /nfs/dbraw/zinc/99/67/43/526996743.db2.gz HSRZCTSBHBHZBD-LBPRGKRZSA-N 1 2 294.424 2.090 20 30 CEEDLO CCOC(=O)c1coc(C[NH+]2CCC(C#N)CC2)c1 ZINC000353620664 528324915 /nfs/dbraw/zinc/32/49/15/528324915.db2.gz YWFMVEGTFXLQDV-UHFFFAOYSA-N 1 2 262.309 2.192 20 30 CEEDLO CC(C)[C@@H]1CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329172915 528699850 /nfs/dbraw/zinc/69/98/50/528699850.db2.gz AJRUGLNJQBAMOX-STQMWFEESA-N 1 2 276.384 2.405 20 30 CEEDLO CC(C)OCC(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000728568795 574467437 /nfs/dbraw/zinc/46/74/37/574467437.db2.gz QUDCYLUHXQCRND-UHFFFAOYSA-N 1 2 265.288 2.121 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000020887405 649893151 /nfs/dbraw/zinc/89/31/51/649893151.db2.gz KMGVNZAFONEEDV-OCCSQVGLSA-N 1 2 289.379 2.018 20 30 CEEDLO COC[C@H](C#N)OC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000751602751 575293529 /nfs/dbraw/zinc/29/35/29/575293529.db2.gz DMDFYMDPEJEGMK-QWHCGFSZSA-N 1 2 296.754 2.024 20 30 CEEDLO CO[C@H](C)C(N)=[NH+]OCc1ccc(C#N)cc1OC(F)F ZINC000754296063 574578435 /nfs/dbraw/zinc/57/84/35/574578435.db2.gz IOFCZFLXRRVECC-MRVPVSSYSA-N 1 2 299.277 2.193 20 30 CEEDLO C=CCCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741380531 574583891 /nfs/dbraw/zinc/58/38/91/574583891.db2.gz CDIBNAZIQBVDLR-OAHLLOKOSA-N 1 2 275.348 2.007 20 30 CEEDLO C=CCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741380531 574583892 /nfs/dbraw/zinc/58/38/92/574583892.db2.gz CDIBNAZIQBVDLR-OAHLLOKOSA-N 1 2 275.348 2.007 20 30 CEEDLO C#CCOc1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000730976179 574585614 /nfs/dbraw/zinc/58/56/14/574585614.db2.gz GYTRGLXDLHZMGJ-UHFFFAOYSA-N 1 2 283.331 2.314 20 30 CEEDLO COc1cccc2c1OC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000731159374 574590743 /nfs/dbraw/zinc/59/07/43/574590743.db2.gz PHIGHJMDVBYYEK-CLFYSBASSA-N 1 2 256.261 2.077 20 30 CEEDLO Cc1nn(C)c(C)c1C[C@@H](C)/[NH+]=C/c1cccc(O)c1O ZINC000741756250 574677765 /nfs/dbraw/zinc/67/77/65/574677765.db2.gz JLXVANQKOBZXEQ-IYPWXLATSA-N 1 2 287.363 2.498 20 30 CEEDLO CC(C)n1ccc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000735077250 574741470 /nfs/dbraw/zinc/74/14/70/574741470.db2.gz RAZQHNIILDILQU-UHFFFAOYSA-N 1 2 276.315 2.440 20 30 CEEDLO Clc1ccc2[nH+]cc(CN=Nc3cccnn3)n2c1 ZINC000737433542 574834314 /nfs/dbraw/zinc/83/43/14/574834314.db2.gz HBFAGJXOWJFAFJ-UHFFFAOYSA-N 1 2 272.699 2.224 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CC1CC1 ZINC000739904345 574936043 /nfs/dbraw/zinc/93/60/43/574936043.db2.gz RHMFJAPFOCJLAO-AWEZNQCLSA-N 1 2 258.321 2.114 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC1CC1 ZINC000739904345 574936044 /nfs/dbraw/zinc/93/60/44/574936044.db2.gz RHMFJAPFOCJLAO-AWEZNQCLSA-N 1 2 258.321 2.114 20 30 CEEDLO C=CCCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742236770 575012393 /nfs/dbraw/zinc/01/23/93/575012393.db2.gz FYNUTAIZBUMBQE-UHFFFAOYSA-N 1 2 260.328 2.141 20 30 CEEDLO C=CCCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742236770 575012394 /nfs/dbraw/zinc/01/23/94/575012394.db2.gz FYNUTAIZBUMBQE-UHFFFAOYSA-N 1 2 260.328 2.141 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]\CC(C2CC2)C2CC2)c1O ZINC000743043810 575041964 /nfs/dbraw/zinc/04/19/64/575041964.db2.gz AQLOWRPVBDBELB-IUXPMGMMSA-N 1 2 274.364 2.443 20 30 CEEDLO CC(=NN=C1CCN(c2cccc[nH+]2)CC1)c1cnccn1 ZINC000745206846 575135140 /nfs/dbraw/zinc/13/51/40/575135140.db2.gz RVILPBUEYRTPDL-UHFFFAOYSA-N 1 2 294.362 2.337 20 30 CEEDLO C#CC[N@@H+](CC)Cc1ccn(-c2cccc(F)c2)n1 ZINC000746456700 575156353 /nfs/dbraw/zinc/15/63/53/575156353.db2.gz FWBDMWZXQSPICP-UHFFFAOYSA-N 1 2 257.312 2.467 20 30 CEEDLO C#CC[N@H+](CC)Cc1ccn(-c2cccc(F)c2)n1 ZINC000746456700 575156354 /nfs/dbraw/zinc/15/63/54/575156354.db2.gz FWBDMWZXQSPICP-UHFFFAOYSA-N 1 2 257.312 2.467 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n(CC=C)c1C ZINC000746456826 575156372 /nfs/dbraw/zinc/15/63/72/575156372.db2.gz MECYQEZAROYPGS-UHFFFAOYSA-N 1 2 258.365 2.429 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n(CC=C)c1C ZINC000746456826 575156373 /nfs/dbraw/zinc/15/63/73/575156373.db2.gz MECYQEZAROYPGS-UHFFFAOYSA-N 1 2 258.365 2.429 20 30 CEEDLO CC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000746479950 575156906 /nfs/dbraw/zinc/15/69/06/575156906.db2.gz DVDCKTMWSWVFDA-UHFFFAOYSA-N 1 2 266.385 2.341 20 30 CEEDLO CC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000746479950 575156908 /nfs/dbraw/zinc/15/69/08/575156908.db2.gz DVDCKTMWSWVFDA-UHFFFAOYSA-N 1 2 266.385 2.341 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000748638969 575191485 /nfs/dbraw/zinc/19/14/85/575191485.db2.gz XRFGCEQEQNSLKP-UHFFFAOYSA-N 1 2 299.349 2.464 20 30 CEEDLO N#Cc1ccc2[nH+]cc(C=CC(=O)c3cc[nH]c(=O)c3)n2c1 ZINC000752876992 575315932 /nfs/dbraw/zinc/31/59/32/575315932.db2.gz LMXQCLYUSATSFA-NSCUHMNNSA-N 1 2 290.282 2.203 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)cc(C)nc2C)C1 ZINC000950942369 612991357 /nfs/dbraw/zinc/99/13/57/612991357.db2.gz GUUAPRZYAZMWAQ-UHFFFAOYSA-N 1 2 299.418 2.176 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(F)c2F)C1 ZINC000951563702 612992046 /nfs/dbraw/zinc/99/20/46/612992046.db2.gz FWYABRNMTIVZII-UHFFFAOYSA-N 1 2 292.329 2.134 20 30 CEEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614802 613215588 /nfs/dbraw/zinc/21/55/88/613215588.db2.gz NRMUWBVVFAQERS-MNOVXSKESA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614802 613215589 /nfs/dbraw/zinc/21/55/89/613215589.db2.gz NRMUWBVVFAQERS-MNOVXSKESA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(C)C1 ZINC000948905705 613279830 /nfs/dbraw/zinc/27/98/30/613279830.db2.gz AJQFBCBETMYTIF-JFUPDXTOSA-N 1 2 296.414 2.381 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(C)C1 ZINC000948905705 613279831 /nfs/dbraw/zinc/27/98/31/613279831.db2.gz AJQFBCBETMYTIF-JFUPDXTOSA-N 1 2 296.414 2.381 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)cc(C)n2)C1 ZINC000950692445 613295864 /nfs/dbraw/zinc/29/58/64/613295864.db2.gz QUTGHCXXEOPGOW-UHFFFAOYSA-N 1 2 287.407 2.421 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnn2C(F)F)C1 ZINC000950421642 613296873 /nfs/dbraw/zinc/29/68/73/613296873.db2.gz FCMHEYCPKFWZBY-UHFFFAOYSA-N 1 2 298.337 2.001 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnn2C(C)C)C1 ZINC000950416536 613297044 /nfs/dbraw/zinc/29/70/44/613297044.db2.gz UKYODJPMUWGYTD-UHFFFAOYSA-N 1 2 290.411 2.186 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nc(C)sc2C)C1 ZINC000950605026 613297456 /nfs/dbraw/zinc/29/74/56/613297456.db2.gz GPVADGFVLRCIBK-UHFFFAOYSA-N 1 2 293.436 2.482 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2n[nH]c3ccccc32)C1 ZINC000957347491 613297522 /nfs/dbraw/zinc/29/75/22/613297522.db2.gz ARGIYMOZYDOBDD-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncc(C)cc2C)C1 ZINC000950945618 613298039 /nfs/dbraw/zinc/29/80/39/613298039.db2.gz XBTBVANJCHWMSW-UHFFFAOYSA-N 1 2 287.407 2.421 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C2(F)CCCCC2)CC1 ZINC000957063142 613316117 /nfs/dbraw/zinc/31/61/17/613316117.db2.gz SKPNQBUFGKFRPQ-UHFFFAOYSA-N 1 2 268.376 2.379 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3ncccc3o2)CC1 ZINC000949339560 613320390 /nfs/dbraw/zinc/32/03/90/613320390.db2.gz FRXAVPOAZQHTFQ-UHFFFAOYSA-N 1 2 285.347 2.162 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2conc2C(C)C)CC1 ZINC000948723777 613321705 /nfs/dbraw/zinc/32/17/05/613321705.db2.gz ZRBVBTOBLUNMLS-UHFFFAOYSA-N 1 2 277.368 2.132 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C)n2C)C1 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C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cscn2)C(C)(C)C1 ZINC000972849638 613380069 /nfs/dbraw/zinc/38/00/69/613380069.db2.gz YBGDGTQKCZOEAE-LLVKDONJSA-N 1 2 299.827 2.336 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cscn2)C(C)(C)C1 ZINC000972849638 613380070 /nfs/dbraw/zinc/38/00/70/613380070.db2.gz YBGDGTQKCZOEAE-LLVKDONJSA-N 1 2 299.827 2.336 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)C(C)(C)C1 ZINC000974915775 613381282 /nfs/dbraw/zinc/38/12/82/613381282.db2.gz BTNHFLQVQWCZLY-DLOVCJGASA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)C(C)(C)C1 ZINC000974915775 613381283 /nfs/dbraw/zinc/38/12/83/613381283.db2.gz BTNHFLQVQWCZLY-DLOVCJGASA-N 1 2 270.804 2.222 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 ZINC000951752224 613706767 /nfs/dbraw/zinc/70/67/67/613706767.db2.gz WZOQIRJCAKCHFL-UHFFFAOYSA-N 1 2 290.382 2.434 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000949852705 613708694 /nfs/dbraw/zinc/70/86/94/613708694.db2.gz 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/nfs/dbraw/zinc/71/66/97/613716697.db2.gz YWNDNJVYZXHXQZ-UHFFFAOYSA-N 1 2 299.418 2.231 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc3cnccc32)CC1 ZINC000957653379 613717089 /nfs/dbraw/zinc/71/70/89/613717089.db2.gz TYCKRRYUQKAKOD-UHFFFAOYSA-N 1 2 281.359 2.179 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ocnc2-c2ccccc2)CC1 ZINC000948686996 613719090 /nfs/dbraw/zinc/71/90/90/613719090.db2.gz YLARCBSDIXBUFZ-UHFFFAOYSA-N 1 2 297.358 2.285 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000890654262 622754700 /nfs/dbraw/zinc/75/47/00/622754700.db2.gz ALZMDXAJCAVYRA-AWEZNQCLSA-N 1 2 267.332 2.271 20 30 CEEDLO C=C(C)CNC(=S)NCc1[nH+]cc(C)c(OC)c1C ZINC000050254242 623375461 /nfs/dbraw/zinc/37/54/61/623375461.db2.gz KPTVRLSFNNAJQY-UHFFFAOYSA-N 1 2 279.409 2.247 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1C ZINC000891715559 623923560 /nfs/dbraw/zinc/92/35/60/623923560.db2.gz DYQCZMZUNVMIHX-LLVKDONJSA-N 1 2 260.337 2.373 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1C ZINC000891715559 623923562 /nfs/dbraw/zinc/92/35/62/623923562.db2.gz DYQCZMZUNVMIHX-LLVKDONJSA-N 1 2 260.337 2.373 20 30 CEEDLO CC[C@H]([NH2+]CC[C@@H](COC)OC)c1cccc(C#N)c1O ZINC000926675715 625692036 /nfs/dbraw/zinc/69/20/36/625692036.db2.gz IREVZMRAOAPXCM-ZFWWWQNUSA-N 1 2 292.379 2.356 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000934469646 624515823 /nfs/dbraw/zinc/51/58/23/624515823.db2.gz XBFCCQMDWYXDGF-ZDUSSCGKSA-N 1 2 295.404 2.119 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000934469646 624515824 /nfs/dbraw/zinc/51/58/24/624515824.db2.gz XBFCCQMDWYXDGF-ZDUSSCGKSA-N 1 2 295.404 2.119 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934515773 624553607 /nfs/dbraw/zinc/55/36/07/624553607.db2.gz RPMDALDYSPGBKK-CQSZACIVSA-N 1 2 269.304 2.454 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934515773 624553612 /nfs/dbraw/zinc/55/36/12/624553612.db2.gz RPMDALDYSPGBKK-CQSZACIVSA-N 1 2 269.304 2.454 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(-c2cc(C)ccn2)no1 ZINC000934516309 624554875 /nfs/dbraw/zinc/55/48/75/624554875.db2.gz ZKPPCXZVFBHNAQ-ZDUSSCGKSA-N 1 2 282.347 2.428 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(C)ccn2)no1 ZINC000934516309 624554879 /nfs/dbraw/zinc/55/48/79/624554879.db2.gz ZKPPCXZVFBHNAQ-ZDUSSCGKSA-N 1 2 282.347 2.428 20 30 CEEDLO CC[C@H]([NH2+]Cc1ncccn1)c1cccc(C#N)c1O ZINC000926711572 625798661 /nfs/dbraw/zinc/79/86/61/625798661.db2.gz WZDGKGFNICOKHC-ZDUSSCGKSA-N 1 2 268.320 2.295 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000820639679 634485018 /nfs/dbraw/zinc/48/50/18/634485018.db2.gz GKPGADWJFCDOBR-CYBMUJFWSA-N 1 2 274.368 2.032 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O ZINC000902212444 634517178 /nfs/dbraw/zinc/51/71/78/634517178.db2.gz FEHCOZXJILAQGJ-HNNXBMFYSA-N 1 2 286.375 2.303 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O ZINC000902212444 634517183 /nfs/dbraw/zinc/51/71/83/634517183.db2.gz FEHCOZXJILAQGJ-HNNXBMFYSA-N 1 2 286.375 2.303 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CC=CCC1 ZINC001017581833 627333128 /nfs/dbraw/zinc/33/31/28/627333128.db2.gz YLZSSVZHDDDIET-SOLBZPMBSA-N 1 2 286.419 2.431 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CC=CCC1 ZINC001017581833 627333131 /nfs/dbraw/zinc/33/31/31/627333131.db2.gz YLZSSVZHDDDIET-SOLBZPMBSA-N 1 2 286.419 2.431 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cn1 ZINC000783299171 627660523 /nfs/dbraw/zinc/66/05/23/627660523.db2.gz ACVAWPUWCUWGGQ-SNVBAGLBSA-N 1 2 256.284 2.338 20 30 CEEDLO C=C(Br)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000309590016 628172345 /nfs/dbraw/zinc/17/23/45/628172345.db2.gz UNHDNFRULBJGEA-GFCCVEGCSA-N 1 2 286.169 2.098 20 30 CEEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000931057429 628351483 /nfs/dbraw/zinc/35/14/83/628351483.db2.gz XUIRUNHUUCOERO-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000931057429 628351487 /nfs/dbraw/zinc/35/14/87/628351487.db2.gz XUIRUNHUUCOERO-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc(C#N)c1O ZINC000925661043 628373813 /nfs/dbraw/zinc/37/38/13/628373813.db2.gz RRUBPCLRANSFIL-CQSZACIVSA-N 1 2 270.336 2.238 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093090746 628585058 /nfs/dbraw/zinc/58/50/58/628585058.db2.gz NHARMIPFBIEJKZ-ZDUSSCGKSA-N 1 2 291.370 2.396 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093090746 628585060 /nfs/dbraw/zinc/58/50/60/628585060.db2.gz NHARMIPFBIEJKZ-ZDUSSCGKSA-N 1 2 291.370 2.396 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1O[C@@H](C)C(=O)OC ZINC000893606175 628785944 /nfs/dbraw/zinc/78/59/44/628785944.db2.gz NXKMLRPRMJNBHM-JSGCOSHPSA-N 1 2 290.363 2.409 20 30 CEEDLO C=CC(C)(C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000893697498 628931803 /nfs/dbraw/zinc/93/18/03/628931803.db2.gz UEXPWTMGJGGJMD-UHFFFAOYSA-N 1 2 258.325 2.098 20 30 CEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1csc(C#N)c1 ZINC000893700729 628943718 /nfs/dbraw/zinc/94/37/18/628943718.db2.gz GAWOGOUJNDBYDR-JTQLQIEISA-N 1 2 279.409 2.355 20 30 CEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893700729 628943720 /nfs/dbraw/zinc/94/37/20/628943720.db2.gz GAWOGOUJNDBYDR-JTQLQIEISA-N 1 2 279.409 2.355 20 30 CEEDLO C=C(C)CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000163753184 628975112 /nfs/dbraw/zinc/97/51/12/628975112.db2.gz XALKWEAGBZXVGV-UHFFFAOYSA-N 1 2 263.341 2.082 20 30 CEEDLO C=CC1CC[NH+](Cc2ncc(C(=O)OC)s2)CC1 ZINC000894021290 629085886 /nfs/dbraw/zinc/08/58/86/629085886.db2.gz UJEXFZVOMCRXSF-UHFFFAOYSA-N 1 2 266.366 2.328 20 30 CEEDLO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(C#N)c1O ZINC000924987962 629324019 /nfs/dbraw/zinc/32/40/19/629324019.db2.gz BOKHIEJDVCKPSQ-CYBMUJFWSA-N 1 2 256.309 2.228 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](C#N)C3)ccn12 ZINC000928214377 629329690 /nfs/dbraw/zinc/32/96/90/629329690.db2.gz MDZHJLRYTDOYEJ-GFCCVEGCSA-N 1 2 268.320 2.019 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2cncc(F)c2)cc1 ZINC000794884484 629347037 /nfs/dbraw/zinc/34/70/37/629347037.db2.gz RDPSRTJRRNMWMK-UHFFFAOYSA-N 1 2 275.283 2.066 20 30 CEEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]OCC(F)F ZINC000794929047 629361381 /nfs/dbraw/zinc/36/13/81/629361381.db2.gz NIFSAKMASALMEL-UHFFFAOYSA-N 1 2 280.278 2.379 20 30 CEEDLO CCc1cc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)nc(CC)[nH+]1 ZINC000894370421 629400026 /nfs/dbraw/zinc/40/00/26/629400026.db2.gz XEIPGBHDFOXHSA-BETUJISGSA-N 1 2 287.411 2.024 20 30 CEEDLO COc1ccc(CO[NH+]=C(N)c2ccccc2)cc1C#N ZINC000178917705 629509951 /nfs/dbraw/zinc/50/99/51/629509951.db2.gz JMSZZYQCGQKISC-UHFFFAOYSA-N 1 2 281.315 2.404 20 30 CEEDLO COCCCOC1C[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000894825444 629663255 /nfs/dbraw/zinc/66/32/55/629663255.db2.gz PKNGXGQVYLIPPR-UHFFFAOYSA-N 1 2 288.391 2.412 20 30 CEEDLO CCCCCCCS(=O)(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000796067946 629761583 /nfs/dbraw/zinc/76/15/83/629761583.db2.gz GSBNYXDQCSTWOU-AWEZNQCLSA-N 1 2 290.473 2.313 20 30 CEEDLO CCCCCCCS(=O)(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000796067946 629761589 /nfs/dbraw/zinc/76/15/89/629761589.db2.gz GSBNYXDQCSTWOU-AWEZNQCLSA-N 1 2 290.473 2.313 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000895025463 629810062 /nfs/dbraw/zinc/81/00/62/629810062.db2.gz QXAQSMVMZGPURD-OAHLLOKOSA-N 1 2 252.321 2.449 20 30 CEEDLO C/C(=C\c1ccccc1)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065944 629840462 /nfs/dbraw/zinc/84/04/62/629840462.db2.gz KAVHAURZJTZUFQ-FYWRMAATSA-N 1 2 283.375 2.148 20 30 CEEDLO COc1ncccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902742195 634805456 /nfs/dbraw/zinc/80/54/56/634805456.db2.gz ZYJGYGPMZHZQIU-NSHDSACASA-N 1 2 268.320 2.208 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(=O)OCC ZINC000896004247 630434428 /nfs/dbraw/zinc/43/44/28/630434428.db2.gz VAYITEWJJCENSW-REWIBIJMSA-N 1 2 281.396 2.432 20 30 CEEDLO C#CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000928625149 630651662 /nfs/dbraw/zinc/65/16/62/630651662.db2.gz QSURZXDEXCZFAV-UHFFFAOYSA-N 1 2 281.359 2.415 20 30 CEEDLO C[C@@]1(C#N)CN(c2cc[nH+]c3c(O)cccc23)CCO1 ZINC000896857727 630694231 /nfs/dbraw/zinc/69/42/31/630694231.db2.gz QZUBCTNUCQNIOD-OAHLLOKOSA-N 1 2 269.304 2.059 20 30 CEEDLO O=C1C=C([NH2+]Nc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000799465406 631028946 /nfs/dbraw/zinc/02/89/46/631028946.db2.gz HSCSKWBYUMNBSR-ZDUSSCGKSA-N 1 2 288.307 2.148 20 30 CEEDLO CC[C@@H]([NH2+]C[C@H](C)CCO)c1cccc(C#N)c1O ZINC000925180924 631154790 /nfs/dbraw/zinc/15/47/90/631154790.db2.gz FXYNMKCUGLFDBH-BXUZGUMPSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cc(CO)on1 ZINC000925185790 631157871 /nfs/dbraw/zinc/15/78/71/631157871.db2.gz PBHCNZCACIRTSZ-GHMZBOCLSA-N 1 2 271.320 2.450 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)Cc1cccc(C)c1O ZINC000179750874 631272180 /nfs/dbraw/zinc/27/21/80/631272180.db2.gz NRPYXYUOIFPXHH-UHFFFAOYSA-N 1 2 263.337 2.252 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)Cc1cccc(C)c1O ZINC000179750874 631272184 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C=CC[N@@H+](CN1C(=O)N[C@](C)(C2CCCC2)C1=O)C(C)C ZINC000802724572 631448233 /nfs/dbraw/zinc/44/82/33/631448233.db2.gz DSXPDSKTGSDVAK-MRXNPFEDSA-N 1 2 293.411 2.341 20 30 CEEDLO COCCCO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863112274 631478219 /nfs/dbraw/zinc/47/82/19/631478219.db2.gz CJUNKEBGTFTBDB-UHFFFAOYSA-N 1 2 272.295 2.418 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000840040532 631664298 /nfs/dbraw/zinc/66/42/98/631664298.db2.gz FTGWQSKZAPKHCQ-KGLIPLIRSA-N 1 2 276.380 2.382 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000840040532 631664300 /nfs/dbraw/zinc/66/43/00/631664300.db2.gz FTGWQSKZAPKHCQ-KGLIPLIRSA-N 1 2 276.380 2.382 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)CCC1(C)C ZINC000808139798 631922670 /nfs/dbraw/zinc/92/26/70/631922670.db2.gz PTDSRKACWOSENY-UHFFFAOYSA-N 1 2 271.364 2.349 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)CCC1(C)C ZINC000808139798 631922673 /nfs/dbraw/zinc/92/26/73/631922673.db2.gz PTDSRKACWOSENY-UHFFFAOYSA-N 1 2 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ZINC000824871340 635516976 /nfs/dbraw/zinc/51/69/76/635516976.db2.gz DQCQBRNCEBDCMS-UHFFFAOYSA-N 1 2 290.338 2.413 20 30 CEEDLO C[C@H](C#N)N(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC000825105822 635570974 /nfs/dbraw/zinc/57/09/74/635570974.db2.gz VTSXUKQANLNIPP-SECBINFHSA-N 1 2 254.293 2.080 20 30 CEEDLO O=C(C#Cc1cccs1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000825665876 635689178 /nfs/dbraw/zinc/68/91/78/635689178.db2.gz WCQKRZKZBGPMCN-LBPRGKRZSA-N 1 2 285.372 2.229 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000825987324 635741917 /nfs/dbraw/zinc/74/19/17/635741917.db2.gz UAFLHHUCTRCABZ-CQSZACIVSA-N 1 2 279.343 2.090 20 30 CEEDLO CC(=NNCC(C)(C)CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000905467275 636295841 /nfs/dbraw/zinc/29/58/41/636295841.db2.gz MJQUJKPCWSFLMC-UHFFFAOYSA-N 1 2 286.379 2.204 20 30 CEEDLO C=CC[C@@H]([NH2+]CC1(OCC)CCCC1)C(=O)OC ZINC000905772509 636458655 /nfs/dbraw/zinc/45/86/55/636458655.db2.gz ZGZVTLBVHXHUFM-GFCCVEGCSA-N 1 2 255.358 2.043 20 30 CEEDLO COc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000830413549 637065472 /nfs/dbraw/zinc/06/54/72/637065472.db2.gz WAMZCZSXRZUFKV-SNVBAGLBSA-N 1 2 284.319 2.107 20 30 CEEDLO COc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000830413549 637065479 /nfs/dbraw/zinc/06/54/79/637065479.db2.gz WAMZCZSXRZUFKV-SNVBAGLBSA-N 1 2 284.319 2.107 20 30 CEEDLO CCOCC[N@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000876645129 650372851 /nfs/dbraw/zinc/37/28/51/650372851.db2.gz MBBYVWUHNPTJER-UHFFFAOYSA-N 1 2 267.760 2.465 20 30 CEEDLO CCOCC[N@@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000876645129 650372853 /nfs/dbraw/zinc/37/28/53/650372853.db2.gz MBBYVWUHNPTJER-UHFFFAOYSA-N 1 2 267.760 2.465 20 30 CEEDLO CN(C)c1ccc(C#N)cc1C[N@H+](C)Cc1cnccn1 ZINC000876643933 650373122 /nfs/dbraw/zinc/37/31/22/650373122.db2.gz QQNUNEHSJSMNOG-UHFFFAOYSA-N 1 2 281.363 2.046 20 30 CEEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1cnccn1 ZINC000876643933 650373123 /nfs/dbraw/zinc/37/31/23/650373123.db2.gz QQNUNEHSJSMNOG-UHFFFAOYSA-N 1 2 281.363 2.046 20 30 CEEDLO C=CCO[NH+]=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000165323220 639422976 /nfs/dbraw/zinc/42/29/76/639422976.db2.gz DCTHGMPMLHLKPZ-UHFFFAOYSA-N 1 2 272.251 2.120 20 30 CEEDLO N#CCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157985109 639558009 /nfs/dbraw/zinc/55/80/09/639558009.db2.gz WJCMSCRNTIVGFT-HOTGVXAUSA-N 1 2 274.364 2.115 20 30 CEEDLO N#CCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157985109 639558012 /nfs/dbraw/zinc/55/80/12/639558012.db2.gz WJCMSCRNTIVGFT-HOTGVXAUSA-N 1 2 274.364 2.115 20 30 CEEDLO Cc1cc(SCC[NH+]2CCOCC2)ccc1C#N ZINC000842632055 640127608 /nfs/dbraw/zinc/12/76/08/640127608.db2.gz CZRYOBMGOLHYHO-UHFFFAOYSA-N 1 2 262.378 2.291 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC000992924243 640371322 /nfs/dbraw/zinc/37/13/22/640371322.db2.gz LUZBBQMAOVXHRK-BDJLRTHQSA-N 1 2 289.354 2.186 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC000992924243 640371325 /nfs/dbraw/zinc/37/13/25/640371325.db2.gz LUZBBQMAOVXHRK-BDJLRTHQSA-N 1 2 289.354 2.186 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCCn2cccn2)c(O)c1 ZINC000914599980 640442181 /nfs/dbraw/zinc/44/21/81/640442181.db2.gz MFYUZCXVVZXPHV-VBKFSLOCSA-N 1 2 273.336 2.497 20 30 CEEDLO C#CC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844138247 640614776 /nfs/dbraw/zinc/61/47/76/640614776.db2.gz SKQIAOUFTSRCBF-WBVHZDCISA-N 1 2 293.370 2.326 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000993598225 640657691 /nfs/dbraw/zinc/65/76/91/640657691.db2.gz CPYNMIPLKMHGFW-JQWIXIFHSA-N 1 2 299.777 2.489 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000993598225 640657692 /nfs/dbraw/zinc/65/76/92/640657692.db2.gz CPYNMIPLKMHGFW-JQWIXIFHSA-N 1 2 299.777 2.489 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]nc2C)[C@H]1C ZINC000993680757 640666512 /nfs/dbraw/zinc/66/65/12/640666512.db2.gz WSSJDJUNAWHUML-YPMHNXCESA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2C)[C@H]1C ZINC000993680757 640666525 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C[C@@]1(C(F)F)C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000852784166 643550408 /nfs/dbraw/zinc/55/04/08/643550408.db2.gz FCIWKCPKLSSVDR-HNNXBMFYSA-N 1 2 296.317 2.445 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)C(F)(F)F ZINC000853235037 643717847 /nfs/dbraw/zinc/71/78/47/643717847.db2.gz JEHANYPHNRYXTO-NSHDSACASA-N 1 2 288.269 2.209 20 30 CEEDLO Cc1[nH+]cc(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)n1C ZINC000853268752 643727421 /nfs/dbraw/zinc/72/74/21/643727421.db2.gz LDZPYWCEPKRMHZ-GWCFXTLKSA-N 1 2 293.440 2.105 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)C(C)C ZINC000853365093 643755522 /nfs/dbraw/zinc/75/55/22/643755522.db2.gz QFBYALDKKWBHQR-ZDUSSCGKSA-N 1 2 262.353 2.303 20 30 CEEDLO CC(C)[C@@H]1CCN(C[N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000853489117 643787140 /nfs/dbraw/zinc/78/71/40/643787140.db2.gz GOUPGVCCYMVNEW-INIZCTEOSA-N 1 2 285.391 2.452 20 30 CEEDLO CC(C)[C@@H]1CCN(C[N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000853489117 643787144 /nfs/dbraw/zinc/78/71/44/643787144.db2.gz GOUPGVCCYMVNEW-INIZCTEOSA-N 1 2 285.391 2.452 20 30 CEEDLO C=CC[N@H+](Cn1c2cc(C)ccc2oc1=O)[C@@H](C)COC ZINC000853532857 643804473 /nfs/dbraw/zinc/80/44/73/643804473.db2.gz NWUOUOKKTAODLV-ZDUSSCGKSA-N 1 2 290.363 2.383 20 30 CEEDLO C=CC[N@@H+](Cn1c2cc(C)ccc2oc1=O)[C@@H](C)COC ZINC000853532857 643804475 /nfs/dbraw/zinc/80/44/75/643804475.db2.gz NWUOUOKKTAODLV-ZDUSSCGKSA-N 1 2 290.363 2.383 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccccc1 ZINC000838983698 644109397 /nfs/dbraw/zinc/10/93/97/644109397.db2.gz ZDJUYJUXPRQVGL-HNNXBMFYSA-N 1 2 254.337 2.152 20 30 CEEDLO C=CCOc1ccc(C[NH2+]Cc2cnn(CC)n2)cc1 ZINC000839088551 644144446 /nfs/dbraw/zinc/14/44/46/644144446.db2.gz FWUMHRLKVGWHBV-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000839188662 644184335 /nfs/dbraw/zinc/18/43/35/644184335.db2.gz GLVZBJFZELFXHH-HIFRSBDPSA-N 1 2 259.349 2.133 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000839188662 644184338 /nfs/dbraw/zinc/18/43/38/644184338.db2.gz GLVZBJFZELFXHH-HIFRSBDPSA-N 1 2 259.349 2.133 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCC(=O)NC1=O ZINC000839454710 644235665 /nfs/dbraw/zinc/23/56/65/644235665.db2.gz APOTYBNVDAUWHB-SNVBAGLBSA-N 1 2 298.795 2.195 20 30 CEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCC(=O)NC1=O ZINC000839454710 644235672 /nfs/dbraw/zinc/23/56/72/644235672.db2.gz APOTYBNVDAUWHB-SNVBAGLBSA-N 1 2 298.795 2.195 20 30 CEEDLO CCC#C[C@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000753861951 644287626 /nfs/dbraw/zinc/28/76/26/644287626.db2.gz JFLKDXAPSXPJAF-GXTWGEPZSA-N 1 2 289.375 2.355 20 30 CEEDLO CCC#C[C@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000753861951 644287629 /nfs/dbraw/zinc/28/76/29/644287629.db2.gz JFLKDXAPSXPJAF-GXTWGEPZSA-N 1 2 289.375 2.355 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754371026 644362981 /nfs/dbraw/zinc/36/29/81/644362981.db2.gz HGDNBGLVAKRYLL-XHDPSFHLSA-N 1 2 289.335 2.252 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754371026 644362985 /nfs/dbraw/zinc/36/29/85/644362985.db2.gz HGDNBGLVAKRYLL-XHDPSFHLSA-N 1 2 289.335 2.252 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000754375761 644364315 /nfs/dbraw/zinc/36/43/15/644364315.db2.gz YTUMLBAUSWPOJD-NHYWBVRUSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000754375761 644364323 /nfs/dbraw/zinc/36/43/23/644364323.db2.gz YTUMLBAUSWPOJD-NHYWBVRUSA-N 1 2 262.328 2.483 20 30 CEEDLO CC(C)C[N@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000755675904 644543313 /nfs/dbraw/zinc/54/33/13/644543313.db2.gz XIRYXBSLYGGMTL-UHFFFAOYSA-N 1 2 290.392 2.128 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(=O)n2ccsc2n1 ZINC000755675904 644543314 /nfs/dbraw/zinc/54/33/14/644543314.db2.gz XIRYXBSLYGGMTL-UHFFFAOYSA-N 1 2 290.392 2.128 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCCCC ZINC000839602324 644752254 /nfs/dbraw/zinc/75/22/54/644752254.db2.gz RRMPZNQORRVZAM-OAHLLOKOSA-N 1 2 272.392 2.427 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCCCC ZINC000839602324 644752257 /nfs/dbraw/zinc/75/22/57/644752257.db2.gz RRMPZNQORRVZAM-OAHLLOKOSA-N 1 2 272.392 2.427 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839631201 644759976 /nfs/dbraw/zinc/75/99/76/644759976.db2.gz DLQAMQASGIOCFJ-VXGBXAGGSA-N 1 2 282.384 2.110 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839631201 644759981 /nfs/dbraw/zinc/75/99/81/644759981.db2.gz DLQAMQASGIOCFJ-VXGBXAGGSA-N 1 2 282.384 2.110 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCOc1ccccc1 ZINC000877931248 650950701 /nfs/dbraw/zinc/95/07/01/650950701.db2.gz JRXOTBQZBMNTLB-CQSZACIVSA-N 1 2 263.337 2.115 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCOc1ccccc1 ZINC000877931248 650950704 /nfs/dbraw/zinc/95/07/04/650950704.db2.gz JRXOTBQZBMNTLB-CQSZACIVSA-N 1 2 263.337 2.115 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(OC)cc1 ZINC000877938945 650953764 /nfs/dbraw/zinc/95/37/64/650953764.db2.gz PMWUANXEVCEWFH-AWEZNQCLSA-N 1 2 263.337 2.245 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000877938945 650953766 /nfs/dbraw/zinc/95/37/66/650953766.db2.gz PMWUANXEVCEWFH-AWEZNQCLSA-N 1 2 263.337 2.245 20 30 CEEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000757839774 644849938 /nfs/dbraw/zinc/84/99/38/644849938.db2.gz PMKKGVPTYKVWEZ-UONOGXRCSA-N 1 2 250.386 2.169 20 30 CEEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000757839774 644849943 /nfs/dbraw/zinc/84/99/43/644849943.db2.gz PMKKGVPTYKVWEZ-UONOGXRCSA-N 1 2 250.386 2.169 20 30 CEEDLO CCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000858110883 645064282 /nfs/dbraw/zinc/06/42/82/645064282.db2.gz LKRBFSXLKOGQFD-OAHLLOKOSA-N 1 2 297.443 2.073 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759991582 645101810 /nfs/dbraw/zinc/10/18/10/645101810.db2.gz CVLOORSEWJXCET-NSHDSACASA-N 1 2 297.324 2.423 20 30 CEEDLO C#C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)[C@H]1CCCO1 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C[C@@H](C[N@H+](C)C[C@@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097317 645699959 /nfs/dbraw/zinc/69/99/59/645699959.db2.gz PBCAIHXBKDXZNV-QWHCGFSZSA-N 1 2 294.399 2.275 20 30 CEEDLO C[C@@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097317 645699962 /nfs/dbraw/zinc/69/99/62/645699962.db2.gz PBCAIHXBKDXZNV-QWHCGFSZSA-N 1 2 294.399 2.275 20 30 CEEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000768153186 646090808 /nfs/dbraw/zinc/09/08/08/646090808.db2.gz AKIBECLSIDOOAY-UHFFFAOYSA-N 1 2 287.411 2.448 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000768153186 646090812 /nfs/dbraw/zinc/09/08/12/646090812.db2.gz AKIBECLSIDOOAY-UHFFFAOYSA-N 1 2 287.411 2.448 20 30 CEEDLO C#CC[C@@H](COC)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000861280769 646103573 /nfs/dbraw/zinc/10/35/73/646103573.db2.gz RJAREHYOIDOGQB-HNNXBMFYSA-N 1 2 284.315 2.067 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000769751110 646310815 /nfs/dbraw/zinc/31/08/15/646310815.db2.gz DFTRMAHGVQNOLL-UYJPIKCFSA-N 1 2 286.379 2.066 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](CN1C(=O)CC13CCC3)C2 ZINC000863336892 646706856 /nfs/dbraw/zinc/70/68/56/646706856.db2.gz XSYDYMUKQGYVAZ-UHFFFAOYSA-N 1 2 295.386 2.223 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](CN1C(=O)CC13CCC3)C2 ZINC000863336892 646706859 /nfs/dbraw/zinc/70/68/59/646706859.db2.gz XSYDYMUKQGYVAZ-UHFFFAOYSA-N 1 2 295.386 2.223 20 30 CEEDLO C#CCOc1cccc(OC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC000774076104 646800216 /nfs/dbraw/zinc/80/02/16/646800216.db2.gz ITGVHROKALJTTN-INIZCTEOSA-N 1 2 287.359 2.478 20 30 CEEDLO C#CCOc1cccc(OC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC000774076104 646800220 /nfs/dbraw/zinc/80/02/20/646800220.db2.gz ITGVHROKALJTTN-INIZCTEOSA-N 1 2 287.359 2.478 20 30 CEEDLO c1nc2nc[nH]c(N[NH+]=C3CCCNc4ccccc43)c-2n1 ZINC000774375925 646839526 /nfs/dbraw/zinc/83/95/26/646839526.db2.gz WMEZGOONAKPNCM-UHFFFAOYSA-N 1 2 293.334 2.375 20 30 CEEDLO C(=NOC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000774445781 646848570 /nfs/dbraw/zinc/84/85/70/646848570.db2.gz WZKJLTYLKACWOI-UHFFFAOYSA-N 1 2 271.320 2.402 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1nnnn1CCCC)c1ccccc1 ZINC000775398820 646950576 /nfs/dbraw/zinc/95/05/76/646950576.db2.gz BUKPHDFYNBMVMC-HNNXBMFYSA-N 1 2 283.379 2.327 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)[C@@H]1CCCO1 ZINC000775571622 646967646 /nfs/dbraw/zinc/96/76/46/646967646.db2.gz IRCRYTOIDWCQGH-QRTARXTBSA-N 1 2 296.374 2.099 20 30 CEEDLO C=C(C)CC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000775589222 646970073 /nfs/dbraw/zinc/97/00/73/646970073.db2.gz NCLXGYARIMNYMH-GFCCVEGCSA-N 1 2 263.341 2.287 20 30 CEEDLO C=C(C)CC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000775589222 646970077 /nfs/dbraw/zinc/97/00/77/646970077.db2.gz NCLXGYARIMNYMH-GFCCVEGCSA-N 1 2 263.341 2.287 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@H]1CCCO1 ZINC000775791801 646992917 /nfs/dbraw/zinc/99/29/17/646992917.db2.gz XDUYKFYBIVPSQP-HZPDHXFCSA-N 1 2 273.380 2.269 20 30 CEEDLO Nc1ncc(C=[NH+]Nc2ccccc2OC(F)(F)F)cn1 ZINC000777454217 647137874 /nfs/dbraw/zinc/13/78/74/647137874.db2.gz XSSNBCLTPGVCCI-UHFFFAOYSA-N 1 2 297.240 2.403 20 30 CEEDLO C[N@@H+]1CCN(C(=O)c2coc(C#N)c2)c2ccccc2C1 ZINC000865166110 647195185 /nfs/dbraw/zinc/19/51/85/647195185.db2.gz PNCRVIRVKHYVHH-UHFFFAOYSA-N 1 2 281.315 2.243 20 30 CEEDLO C[N@H+]1CCN(C(=O)c2coc(C#N)c2)c2ccccc2C1 ZINC000865166110 647195187 /nfs/dbraw/zinc/19/51/87/647195187.db2.gz PNCRVIRVKHYVHH-UHFFFAOYSA-N 1 2 281.315 2.243 20 30 CEEDLO Cc1nn(C)c(C)c1CNc1[nH]c2ccc(C#N)cc2[nH+]1 ZINC000865296063 647235583 /nfs/dbraw/zinc/23/55/83/647235583.db2.gz OXSQIAAESAWCKT-UHFFFAOYSA-N 1 2 280.335 2.397 20 30 CEEDLO CC(C)CN(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000778660141 647251770 /nfs/dbraw/zinc/25/17/70/647251770.db2.gz IEMCVSPWPRXPIQ-UHFFFAOYSA-N 1 2 297.362 2.279 20 30 CEEDLO CC#CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000779428531 647322840 /nfs/dbraw/zinc/32/28/40/647322840.db2.gz GNEHLKXVHKOLHB-UHFFFAOYSA-N 1 2 257.341 2.407 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cccnc1Br)[C@@H]1CCCO1 ZINC000865532313 647343911 /nfs/dbraw/zinc/34/39/11/647343911.db2.gz YDODFBUPZVFHMG-RYUDHWBXSA-N 1 2 295.180 2.115 20 30 CEEDLO C=CCCn1cc(CNc2[nH]c3cccc(OC)c3[nH+]2)nn1 ZINC000865889660 647525368 /nfs/dbraw/zinc/52/53/68/647525368.db2.gz AURPKCZZMFUHBM-UHFFFAOYSA-N 1 2 298.350 2.351 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782441247 647627404 /nfs/dbraw/zinc/62/74/04/647627404.db2.gz YXKHEJBMCFBXKU-MRXNPFEDSA-N 1 2 292.379 2.420 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(C#N)c1O ZINC000866306936 647728186 /nfs/dbraw/zinc/72/81/86/647728186.db2.gz XKTXDAWHUWVIHV-ZWNOBZJWSA-N 1 2 282.347 2.195 20 30 CEEDLO COC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866336498 647741328 /nfs/dbraw/zinc/74/13/28/647741328.db2.gz KKYAINWNAMBBOU-NSHDSACASA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(C#N)c1O ZINC000866352622 647751259 /nfs/dbraw/zinc/75/12/59/647751259.db2.gz AVIGJNHEHSYCTJ-NSHDSACASA-N 1 2 299.378 2.461 20 30 CEEDLO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C#N)c1O ZINC000866369767 647760513 /nfs/dbraw/zinc/76/05/13/647760513.db2.gz OFSJEHHFDZWIRE-IINYFYTJSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H](C#N)CNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783856921 647771527 /nfs/dbraw/zinc/77/15/27/647771527.db2.gz OFVOCYITOBPQTN-SNVBAGLBSA-N 1 2 259.338 2.017 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(C#N)c1O ZINC000866400002 647773891 /nfs/dbraw/zinc/77/38/91/647773891.db2.gz YKJJEIKDFZXLTJ-VZJVUDMVSA-N 1 2 272.348 2.482 20 30 CEEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(F)c(C)c2)s1 ZINC000784048263 647793588 /nfs/dbraw/zinc/79/35/88/647793588.db2.gz YFKPSCVFCXNCMC-UHFFFAOYSA-N 1 2 294.355 2.385 20 30 CEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CCCCCC)CC1 ZINC000784228785 647821563 /nfs/dbraw/zinc/82/15/63/647821563.db2.gz PQRUGEMMFSKKPS-UHFFFAOYSA-N 1 2 293.407 2.414 20 30 CEEDLO C=CCCN(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869105012 648351698 /nfs/dbraw/zinc/35/16/98/648351698.db2.gz DMNQFWBQNZDARP-HNNXBMFYSA-N 1 2 273.380 2.391 20 30 CEEDLO C=CCCN(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869105012 648351704 /nfs/dbraw/zinc/35/17/04/648351704.db2.gz DMNQFWBQNZDARP-HNNXBMFYSA-N 1 2 273.380 2.391 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cccc2cccnc12 ZINC000790300033 648403750 /nfs/dbraw/zinc/40/37/50/648403750.db2.gz NKOXCCTXFFTNGG-UHFFFAOYSA-N 1 2 251.293 2.414 20 30 CEEDLO COCCC(=NNc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000790305591 648405068 /nfs/dbraw/zinc/40/50/68/648405068.db2.gz KOSPQRYZYJVESC-UHFFFAOYSA-N 1 2 276.315 2.412 20 30 CEEDLO Cc1cc([N+](=O)[O-])ccc1C=NNc1[nH+]ccn1C ZINC000790302705 648405115 /nfs/dbraw/zinc/40/51/15/648405115.db2.gz XKGNWSSZKQRQTQ-UHFFFAOYSA-N 1 2 259.269 2.083 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000790306359 648405611 /nfs/dbraw/zinc/40/56/11/648405611.db2.gz YLGTXRTXHIVPBP-UHFFFAOYSA-N 1 2 292.726 2.291 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nccn1-c1ccccc1)[C@H]1CCCO1 ZINC000790992281 648470068 /nfs/dbraw/zinc/47/00/68/648470068.db2.gz WJNCXQIPRIXQNZ-JKSUJKDBSA-N 1 2 281.359 2.143 20 30 CEEDLO C#CCOc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791955065 648590056 /nfs/dbraw/zinc/59/00/56/648590056.db2.gz PUWPNINBDQKSAW-UHFFFAOYSA-N 1 2 282.299 2.033 20 30 CEEDLO COc1nccnc1N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792643173 648663319 /nfs/dbraw/zinc/66/33/19/648663319.db2.gz QHNAENRYLDBTDT-UHFFFAOYSA-N 1 2 297.362 2.289 20 30 CEEDLO C#CCCCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000793578256 648779160 /nfs/dbraw/zinc/77/91/60/648779160.db2.gz HZDUYGAVTPSHII-UHFFFAOYSA-N 1 2 291.301 2.153 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000794640093 648896561 /nfs/dbraw/zinc/89/65/61/648896561.db2.gz OQZAUEVWPSMAEU-LBPRGKRZSA-N 1 2 291.424 2.263 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000794640093 648896564 /nfs/dbraw/zinc/89/65/64/648896564.db2.gz OQZAUEVWPSMAEU-LBPRGKRZSA-N 1 2 291.424 2.263 20 30 CEEDLO CC(C)[C@@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794644142 648897038 /nfs/dbraw/zinc/89/70/38/648897038.db2.gz YXJGWGLWOLRRBH-GFCCVEGCSA-N 1 2 293.440 2.343 20 30 CEEDLO CC(C)[C@@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794644142 648897041 /nfs/dbraw/zinc/89/70/41/648897041.db2.gz YXJGWGLWOLRRBH-GFCCVEGCSA-N 1 2 293.440 2.343 20 30 CEEDLO Cc1nn(C)cc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000794700696 648904747 /nfs/dbraw/zinc/90/47/47/648904747.db2.gz RICPOSQEDUMXBR-WAYWQWQTSA-N 1 2 290.392 2.143 20 30 CEEDLO C[NH+](C)[C@H](C(=O)OCc1ccc(C#N)o1)c1ccccc1 ZINC000873375843 649656935 /nfs/dbraw/zinc/65/69/35/649656935.db2.gz KXQGHAFIDDZNOM-HNNXBMFYSA-N 1 2 284.315 2.497 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)C1=O ZINC000878549902 651127851 /nfs/dbraw/zinc/12/78/51/651127851.db2.gz MRINKHGOUJPKMG-ZDUSSCGKSA-N 1 2 293.798 2.262 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)C1=O ZINC000878549902 651127854 /nfs/dbraw/zinc/12/78/54/651127854.db2.gz MRINKHGOUJPKMG-ZDUSSCGKSA-N 1 2 293.798 2.262 20 30 CEEDLO C#CC1(NC(=O)Nc2ccc3[nH+]ccn3c2)CCCC1 ZINC000878774747 651183350 /nfs/dbraw/zinc/18/33/50/651183350.db2.gz UBPKIYMPZFARTD-UHFFFAOYSA-N 1 2 268.320 2.402 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)OC ZINC000878921594 651211692 /nfs/dbraw/zinc/21/16/92/651211692.db2.gz VCMQVPXCTPDZOA-TUKIKUTGSA-N 1 2 259.349 2.422 20 30 CEEDLO N#Cc1ccccc1NC1CC[NH+](Cc2cnon2)CC1 ZINC000878961992 651218980 /nfs/dbraw/zinc/21/89/80/651218980.db2.gz KUSOVOJNRAMXPL-UHFFFAOYSA-N 1 2 283.335 2.018 20 30 CEEDLO C#C[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)C(C)(C)C ZINC000879073257 651239130 /nfs/dbraw/zinc/23/91/30/651239130.db2.gz AFUZGNNWFTYLGL-CYBMUJFWSA-N 1 2 259.353 2.290 20 30 CEEDLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000879326454 651286682 /nfs/dbraw/zinc/28/66/82/651286682.db2.gz RHUANTKMTVGWPZ-KOLCDFICSA-N 1 2 251.355 2.014 20 30 CEEDLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000879326454 651286683 /nfs/dbraw/zinc/28/66/83/651286683.db2.gz RHUANTKMTVGWPZ-KOLCDFICSA-N 1 2 251.355 2.014 20 30 CEEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879631045 651333596 /nfs/dbraw/zinc/33/35/96/651333596.db2.gz OWQLIHVZGRLKGH-INIZCTEOSA-N 1 2 259.349 2.482 20 30 CEEDLO CC#CCC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879631045 651333597 /nfs/dbraw/zinc/33/35/97/651333597.db2.gz OWQLIHVZGRLKGH-INIZCTEOSA-N 1 2 259.349 2.482 20 30 CEEDLO N#Cc1cnccc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222515 651402994 /nfs/dbraw/zinc/40/29/94/651402994.db2.gz VNRMMWOLURMVDN-CALCHBBNSA-N 1 2 279.343 2.093 20 30 CEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880297003 651418599 /nfs/dbraw/zinc/41/85/99/651418599.db2.gz INKIOFNBXJPEGZ-PWSUYJOCSA-N 1 2 293.342 2.387 20 30 CEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880297003 651418601 /nfs/dbraw/zinc/41/86/01/651418601.db2.gz INKIOFNBXJPEGZ-PWSUYJOCSA-N 1 2 293.342 2.387 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880298176 651418859 /nfs/dbraw/zinc/41/88/59/651418859.db2.gz ZFBJXAPBQRXJOG-JSGCOSHPSA-N 1 2 276.311 2.064 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CF)C1 ZINC000880298176 651418861 /nfs/dbraw/zinc/41/88/61/651418861.db2.gz ZFBJXAPBQRXJOG-JSGCOSHPSA-N 1 2 276.311 2.064 20 30 CEEDLO C=C(C)C[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000883006119 652320382 /nfs/dbraw/zinc/32/03/82/652320382.db2.gz JPFXGMZYWIHTKI-LBPRGKRZSA-N 1 2 261.369 2.403 20 30 CEEDLO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000883392298 652452925 /nfs/dbraw/zinc/45/29/25/652452925.db2.gz DYKOJKFOWJMWJC-DGCLKSJQSA-N 1 2 260.337 2.242 20 30 CEEDLO C=CCC1(O)CC[NH+](Cn2cc(C)cnc2=S)CC1 ZINC000884478558 652875124 /nfs/dbraw/zinc/87/51/24/652875124.db2.gz GCIPWAFQBPONFS-UHFFFAOYSA-N 1 2 279.409 2.282 20 30 CEEDLO C#CC[C@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000884594010 652934665 /nfs/dbraw/zinc/93/46/65/652934665.db2.gz YBTOMHYDSXSAEL-AWEZNQCLSA-N 1 2 270.380 2.317 20 30 CEEDLO C#CC[C@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000884594010 652934669 /nfs/dbraw/zinc/93/46/69/652934669.db2.gz YBTOMHYDSXSAEL-AWEZNQCLSA-N 1 2 270.380 2.317 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000884611727 652943021 /nfs/dbraw/zinc/94/30/21/652943021.db2.gz SQJHXOMIHRBPAQ-JTQLQIEISA-N 1 2 265.338 2.166 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000884611727 652943022 /nfs/dbraw/zinc/94/30/22/652943022.db2.gz SQJHXOMIHRBPAQ-JTQLQIEISA-N 1 2 265.338 2.166 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@H]1CC ZINC001087518907 805659692 /nfs/dbraw/zinc/65/96/92/805659692.db2.gz OECRRVPBLWXESP-CMPLNLGQSA-N 1 2 283.759 2.010 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@H]1CC ZINC001087518907 805659696 /nfs/dbraw/zinc/65/96/96/805659696.db2.gz OECRRVPBLWXESP-CMPLNLGQSA-N 1 2 283.759 2.010 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)C[NH2+]Cc1csnn1 ZINC001271095061 805739741 /nfs/dbraw/zinc/73/97/41/805739741.db2.gz ZVTJIQHLEKVVPU-SMDDNHRTSA-N 1 2 296.440 2.077 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H](C)C[NH2+]Cc1csnn1 ZINC001271095058 805739810 /nfs/dbraw/zinc/73/98/10/805739810.db2.gz ZVTJIQHLEKVVPU-BXUZGUMPSA-N 1 2 296.440 2.077 20 30 CEEDLO Cc1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1C#N ZINC001168372003 806961882 /nfs/dbraw/zinc/96/18/82/806961882.db2.gz IJMPRCKRVLKXBG-CYBMUJFWSA-N 1 2 271.364 2.142 20 30 CEEDLO Cc1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1C#N ZINC001168372003 806961886 /nfs/dbraw/zinc/96/18/86/806961886.db2.gz IJMPRCKRVLKXBG-CYBMUJFWSA-N 1 2 271.364 2.142 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2n1CC ZINC001039046362 802414764 /nfs/dbraw/zinc/41/47/64/802414764.db2.gz XSRQWVYJWHLOJR-OAHLLOKOSA-N 1 2 295.386 2.099 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2n1CC ZINC001039046362 802414769 /nfs/dbraw/zinc/41/47/69/802414769.db2.gz XSRQWVYJWHLOJR-OAHLLOKOSA-N 1 2 295.386 2.099 20 30 CEEDLO C=C[C@H](CC)CC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107464106 808446460 /nfs/dbraw/zinc/44/64/60/808446460.db2.gz QEZYGAKYDUSZLP-PSKZRQQASA-N 1 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/nfs/dbraw/zinc/72/00/10/343720010.db2.gz VADSQWBDVFXYQQ-ZDUSSCGKSA-N 1 2 294.420 2.031 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602088483 346971106 /nfs/dbraw/zinc/97/11/06/346971106.db2.gz MTWIXEQQQHKMQD-ONGXEEELSA-N 1 2 288.273 2.185 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000602100885 346973498 /nfs/dbraw/zinc/97/34/98/346973498.db2.gz DZZIKVIZAOCAMP-BLTAXRJOSA-N 1 2 272.352 2.102 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000602100885 346973502 /nfs/dbraw/zinc/97/35/02/346973502.db2.gz DZZIKVIZAOCAMP-BLTAXRJOSA-N 1 2 272.352 2.102 20 30 CEEDLO CC(C)C[C@H](C(=O)N([C@H](C)C#N)C1CC1)n1cc[nH+]c1 ZINC000602178070 346988948 /nfs/dbraw/zinc/98/89/48/346988948.db2.gz FQXLOSYBCJEUIH-TZMCWYRMSA-N 1 2 274.368 2.373 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)o1 ZINC000128179592 187355321 /nfs/dbraw/zinc/35/53/21/187355321.db2.gz NGRAVYZOXVDYII-HNNXBMFYSA-N 1 2 299.330 2.025 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)o1 ZINC000128179592 187355322 /nfs/dbraw/zinc/35/53/22/187355322.db2.gz NGRAVYZOXVDYII-HNNXBMFYSA-N 1 2 299.330 2.025 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000567994816 299107392 /nfs/dbraw/zinc/10/73/92/299107392.db2.gz WARXTNWKBQLXHI-HIFRSBDPSA-N 1 2 287.319 2.220 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000567994816 299107396 /nfs/dbraw/zinc/10/73/96/299107396.db2.gz WARXTNWKBQLXHI-HIFRSBDPSA-N 1 2 287.319 2.220 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000050064104 362395615 /nfs/dbraw/zinc/39/56/15/362395615.db2.gz IIIYQAFAPPIXHX-AWEZNQCLSA-N 1 2 258.321 2.086 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000050064104 362395619 /nfs/dbraw/zinc/39/56/19/362395619.db2.gz IIIYQAFAPPIXHX-AWEZNQCLSA-N 1 2 258.321 2.086 20 30 CEEDLO OC[C@@]1(F)CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000287142971 344680164 /nfs/dbraw/zinc/68/01/64/344680164.db2.gz 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/nfs/dbraw/zinc/85/68/28/344856828.db2.gz CFLGNQVBHRPZAA-UHFFFAOYSA-N 1 2 257.337 2.115 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000491392320 344911688 /nfs/dbraw/zinc/91/16/88/344911688.db2.gz BREPVDODBXEIMT-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000491392320 344911689 /nfs/dbraw/zinc/91/16/89/344911689.db2.gz BREPVDODBXEIMT-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO CC#CCN(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668165359 539431178 /nfs/dbraw/zinc/43/11/78/539431178.db2.gz VPQNSIDBVZFRMU-UHFFFAOYSA-N 1 2 256.309 2.130 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000589164234 345068687 /nfs/dbraw/zinc/06/86/87/345068687.db2.gz SVFQWTFMWGPXGO-NUEKZKHPSA-N 1 2 283.375 2.288 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000589164213 345068764 /nfs/dbraw/zinc/06/87/64/345068764.db2.gz SCIURXDZXVZWNT-WCQYABFASA-N 1 2 271.368 2.272 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000590800181 345182439 /nfs/dbraw/zinc/18/24/39/345182439.db2.gz RJWMSKZGGRZRDT-FRRDWIJNSA-N 1 2 271.364 2.244 20 30 CEEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CC(C#N)C1 ZINC000590487236 345140479 /nfs/dbraw/zinc/14/04/79/345140479.db2.gz ITNKCVVJOXYEGW-UHFFFAOYSA-N 1 2 296.374 2.361 20 30 CEEDLO Cc1cc(C)c(NC(=O)N2CC[C@@](F)(C#N)C2)c(C)[nH+]1 ZINC000590836302 345187908 /nfs/dbraw/zinc/18/79/08/345187908.db2.gz OREPBXVDYJNTKF-CQSZACIVSA-N 1 2 276.315 2.476 20 30 CEEDLO COC[C@@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590952983 345203999 /nfs/dbraw/zinc/20/39/99/345203999.db2.gz NLUITEMEIQAELL-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO COC[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590952983 345204002 /nfs/dbraw/zinc/20/40/02/345204002.db2.gz NLUITEMEIQAELL-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO COc1ccc(C[N@H+](C)Cc2ccncc2C#N)cc1O ZINC000592071561 345319240 /nfs/dbraw/zinc/31/92/40/345319240.db2.gz LHBVNQBBKNZOJA-UHFFFAOYSA-N 1 2 283.331 2.299 20 30 CEEDLO COc1ccc(C[N@@H+](C)Cc2ccncc2C#N)cc1O ZINC000592071561 345319244 /nfs/dbraw/zinc/31/92/44/345319244.db2.gz LHBVNQBBKNZOJA-UHFFFAOYSA-N 1 2 283.331 2.299 20 30 CEEDLO CN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000591815660 345283730 /nfs/dbraw/zinc/28/37/30/345283730.db2.gz SYEAUDNQKOQZDA-AWEZNQCLSA-N 1 2 282.347 2.304 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592135268 345327736 /nfs/dbraw/zinc/32/77/36/345327736.db2.gz LRWLWMSQESLNTD-YNEHKIRRSA-N 1 2 297.395 2.014 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592135268 345327738 /nfs/dbraw/zinc/32/77/38/345327738.db2.gz LRWLWMSQESLNTD-YNEHKIRRSA-N 1 2 297.395 2.014 20 30 CEEDLO COCCN(CCC#N)Cc1cc(OC(C)C)cc[nH+]1 ZINC000593016526 345423770 /nfs/dbraw/zinc/42/37/70/345423770.db2.gz RTDXLOIMCXBMHD-UHFFFAOYSA-N 1 2 277.368 2.231 20 30 CEEDLO C[C@H](CC(=O)NCc1ccc(C#N)cc1F)n1cc[nH+]c1 ZINC000593051793 345429308 /nfs/dbraw/zinc/42/93/08/345429308.db2.gz DEWGININKZLYRV-LLVKDONJSA-N 1 2 286.310 2.161 20 30 CEEDLO COC(=O)C(C)(C)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125245 345445053 /nfs/dbraw/zinc/44/50/53/345445053.db2.gz CJKZQKRVGHVGEH-UHFFFAOYSA-N 1 2 272.348 2.463 20 30 CEEDLO COC(=O)C(C)(C)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125245 345445056 /nfs/dbraw/zinc/44/50/56/345445056.db2.gz CJKZQKRVGHVGEH-UHFFFAOYSA-N 1 2 272.348 2.463 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cccc(F)c2o1 ZINC000593154291 345447930 /nfs/dbraw/zinc/44/79/30/345447930.db2.gz FSJISKBFSNTSLM-HNNXBMFYSA-N 1 2 289.310 2.146 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NCC1(C#N)CCCC1 ZINC000593175919 345449791 /nfs/dbraw/zinc/44/97/91/345449791.db2.gz KKZFJAGDPBPCJR-UHFFFAOYSA-N 1 2 258.325 2.017 20 30 CEEDLO N#CC1(CNC(=O)NCc2cn3ccccc3[nH+]2)CCCC1 ZINC000593295545 345463583 /nfs/dbraw/zinc/46/35/83/345463583.db2.gz NRXVKCPPZUMCRU-UHFFFAOYSA-N 1 2 297.362 2.217 20 30 CEEDLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000593421299 345481813 /nfs/dbraw/zinc/48/18/13/345481813.db2.gz OLQOZKJWQKWREU-UHFFFAOYSA-N 1 2 294.358 2.297 20 30 CEEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000593690044 345521442 /nfs/dbraw/zinc/52/14/42/345521442.db2.gz KVHFEIZGAQPPNB-FZMZJTMJSA-N 1 2 291.782 2.363 20 30 CEEDLO Cc1ccc(O)c(C[N@@H+]2Cc3cccc(C#N)c3C2)n1 ZINC000593695543 345523553 /nfs/dbraw/zinc/52/35/53/345523553.db2.gz BIDPLQWSTBVNAE-UHFFFAOYSA-N 1 2 265.316 2.483 20 30 CEEDLO Cc1ccc(O)c(C[N@H+]2Cc3cccc(C#N)c3C2)n1 ZINC000593695543 345523555 /nfs/dbraw/zinc/52/35/55/345523555.db2.gz BIDPLQWSTBVNAE-UHFFFAOYSA-N 1 2 265.316 2.483 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000594006505 345564881 /nfs/dbraw/zinc/56/48/81/345564881.db2.gz CQPQAIOUPQOHGQ-SECBINFHSA-N 1 2 273.296 2.253 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000594011717 345565951 /nfs/dbraw/zinc/56/59/51/345565951.db2.gz NATOIXDXSHYXBR-VXGBXAGGSA-N 1 2 277.372 2.073 20 30 CEEDLO CN(CCC#N)C(=O)CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594032008 345569979 /nfs/dbraw/zinc/56/99/79/345569979.db2.gz VIHKSNFCQFVYPM-UHFFFAOYSA-N 1 2 293.317 2.043 20 30 CEEDLO CCOC(=O)[C@@H]([NH2+]CCOCCC#N)C1CCCCCC1 ZINC000594049918 345573401 /nfs/dbraw/zinc/57/34/01/345573401.db2.gz XJPVLYIKUJFKPD-HNNXBMFYSA-N 1 2 296.411 2.408 20 30 CEEDLO Cc1noc(C[N@@H+](C)Cc2ccc(CC#N)cc2)n1 ZINC000594055106 345575115 /nfs/dbraw/zinc/57/51/15/345575115.db2.gz JGZITNNESMYIDZ-UHFFFAOYSA-N 1 2 256.309 2.076 20 30 CEEDLO Cc1noc(C[N@H+](C)Cc2ccc(CC#N)cc2)n1 ZINC000594055106 345575118 /nfs/dbraw/zinc/57/51/18/345575118.db2.gz JGZITNNESMYIDZ-UHFFFAOYSA-N 1 2 256.309 2.076 20 30 CEEDLO N#CCCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000594217143 345599406 /nfs/dbraw/zinc/59/94/06/345599406.db2.gz QQCXNZSRVQKBMT-UHFFFAOYSA-N 1 2 256.309 2.034 20 30 CEEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1[N+](=O)[O-] ZINC000057875569 362599509 /nfs/dbraw/zinc/59/95/09/362599509.db2.gz KPXHZIPBFCNXEQ-UHFFFAOYSA-N 1 2 275.308 2.339 20 30 CEEDLO N#CC1(C[NH2+]Cc2cc3n(n2)CCC3)CCCCC1 ZINC000594981155 345721570 /nfs/dbraw/zinc/72/15/70/345721570.db2.gz HYPCFWKOHQWYLR-UHFFFAOYSA-N 1 2 258.369 2.393 20 30 CEEDLO Cc1nc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(C)o1 ZINC000595301428 345758416 /nfs/dbraw/zinc/75/84/16/345758416.db2.gz KPTXBZRUWAACCF-UHFFFAOYSA-N 1 2 296.374 2.485 20 30 CEEDLO C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000595538223 345806366 /nfs/dbraw/zinc/80/63/66/345806366.db2.gz HNTIRDWORUTHBH-NEPJUHHUSA-N 1 2 297.362 2.413 20 30 CEEDLO CO[C@H](C[N@H+](CCC#N)Cc1ccco1)[C@H]1CCOC1 ZINC000595332541 345762819 /nfs/dbraw/zinc/76/28/19/345762819.db2.gz KFVQINJTMIQIEK-DZGCQCFKSA-N 1 2 278.352 2.047 20 30 CEEDLO CO[C@H](C[N@@H+](CCC#N)Cc1ccco1)[C@H]1CCOC1 ZINC000595332541 345762822 /nfs/dbraw/zinc/76/28/22/345762822.db2.gz KFVQINJTMIQIEK-DZGCQCFKSA-N 1 2 278.352 2.047 20 30 CEEDLO COC[C@@H]([NH2+]Cc1ccncc1C#N)c1cccc(OC)c1 ZINC000595685046 345848007 /nfs/dbraw/zinc/84/80/07/345848007.db2.gz SZOIYCFPOGFLPR-QGZVFWFLSA-N 1 2 297.358 2.439 20 30 CEEDLO C=CCCCC[NH2+][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595727718 345860942 /nfs/dbraw/zinc/86/09/42/345860942.db2.gz JKUWKYVWRNQTDZ-HNNXBMFYSA-N 1 2 269.385 2.433 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000595614734 345828033 /nfs/dbraw/zinc/82/80/33/345828033.db2.gz NDVWXMBIYDLWGM-AWEZNQCLSA-N 1 2 281.363 2.393 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000595614734 345828037 /nfs/dbraw/zinc/82/80/37/345828037.db2.gz NDVWXMBIYDLWGM-AWEZNQCLSA-N 1 2 281.363 2.393 20 30 CEEDLO C=CC[N@H+](Cc1occc1C(=O)OC)[C@@H](C)COC ZINC000595638669 345834158 /nfs/dbraw/zinc/83/41/58/345834158.db2.gz KGMOSMINKIWZOV-NSHDSACASA-N 1 2 267.325 2.089 20 30 CEEDLO C=CC[N@@H+](Cc1occc1C(=O)OC)[C@@H](C)COC ZINC000595638669 345834162 /nfs/dbraw/zinc/83/41/62/345834162.db2.gz KGMOSMINKIWZOV-NSHDSACASA-N 1 2 267.325 2.089 20 30 CEEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000595658837 345839907 /nfs/dbraw/zinc/83/99/07/345839907.db2.gz WXVRTGFVKFXHPX-GOSISDBHSA-N 1 2 299.418 2.408 20 30 CEEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000595658837 345839910 /nfs/dbraw/zinc/83/99/10/345839910.db2.gz WXVRTGFVKFXHPX-GOSISDBHSA-N 1 2 299.418 2.408 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833138 345890031 /nfs/dbraw/zinc/89/00/31/345890031.db2.gz ACGSEIUZFRMUAC-IIAWOOMASA-N 1 2 277.412 2.402 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833138 345890033 /nfs/dbraw/zinc/89/00/33/345890033.db2.gz ACGSEIUZFRMUAC-IIAWOOMASA-N 1 2 277.412 2.402 20 30 CEEDLO Cc1ccc2[nH+]c(CN3CC[C@@](C)(C#N)C3)cn2c1 ZINC000595833315 345890077 /nfs/dbraw/zinc/89/00/77/345890077.db2.gz GKCAIQGCUSNPTQ-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835862 345892453 /nfs/dbraw/zinc/89/24/53/345892453.db2.gz VAUIIYXFWPYIID-QAPCUYQASA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835862 345892455 /nfs/dbraw/zinc/89/24/55/345892455.db2.gz VAUIIYXFWPYIID-QAPCUYQASA-N 1 2 299.418 2.278 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000595835598 345892469 /nfs/dbraw/zinc/89/24/69/345892469.db2.gz SEHXFHSADOTHGM-INIZCTEOSA-N 1 2 275.396 2.229 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000595835598 345892470 /nfs/dbraw/zinc/89/24/70/345892470.db2.gz SEHXFHSADOTHGM-INIZCTEOSA-N 1 2 275.396 2.229 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835943 345892489 /nfs/dbraw/zinc/89/24/89/345892489.db2.gz SRPDJNVNKPZCHX-KRWDZBQOSA-N 1 2 285.391 2.271 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835943 345892491 /nfs/dbraw/zinc/89/24/91/345892491.db2.gz SRPDJNVNKPZCHX-KRWDZBQOSA-N 1 2 285.391 2.271 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000595839979 345894735 /nfs/dbraw/zinc/89/47/35/345894735.db2.gz NEADLYLNOXRUPK-OAHLLOKOSA-N 1 2 258.321 2.193 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000595839979 345894739 /nfs/dbraw/zinc/89/47/39/345894739.db2.gz NEADLYLNOXRUPK-OAHLLOKOSA-N 1 2 258.321 2.193 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000595843998 345896988 /nfs/dbraw/zinc/89/69/88/345896988.db2.gz OHPYQOJJWIQROA-VIFPVBQESA-N 1 2 286.244 2.436 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000595843998 345896991 /nfs/dbraw/zinc/89/69/91/345896991.db2.gz OHPYQOJJWIQROA-VIFPVBQESA-N 1 2 286.244 2.436 20 30 CEEDLO CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H](C)C#N ZINC000595813309 345883152 /nfs/dbraw/zinc/88/31/52/345883152.db2.gz RQFNPZZLVMXPDG-ZDUSSCGKSA-N 1 2 299.374 2.297 20 30 CEEDLO CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H](C)C#N ZINC000595813309 345883157 /nfs/dbraw/zinc/88/31/57/345883157.db2.gz RQFNPZZLVMXPDG-ZDUSSCGKSA-N 1 2 299.374 2.297 20 30 CEEDLO Cn1cc[nH+]c1[C@H](C1CC1)N(CCC#N)CCC#N ZINC000602583490 347088755 /nfs/dbraw/zinc/08/87/55/347088755.db2.gz XGDBAPZZVJHXCH-ZDUSSCGKSA-N 1 2 257.341 2.001 20 30 CEEDLO Cc1nc(NCCCCC#N)c(Br)c(C)[nH+]1 ZINC000596108713 345941437 /nfs/dbraw/zinc/94/14/37/345941437.db2.gz YWNGPNAQHMYIGR-UHFFFAOYSA-N 1 2 283.173 2.384 20 30 CEEDLO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000596659431 346074465 /nfs/dbraw/zinc/07/44/65/346074465.db2.gz ZCWLQCSWQVGNNJ-LLVKDONJSA-N 1 2 283.335 2.369 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596744195 346083305 /nfs/dbraw/zinc/08/33/05/346083305.db2.gz HZVHFYQNSZFQNQ-HUUCEWRRSA-N 1 2 294.358 2.054 20 30 CEEDLO Cc1ccc(NC(=O)N2CC[C@@](C)(C#N)C2)c(C)[nH+]1 ZINC000596789656 346090528 /nfs/dbraw/zinc/09/05/28/346090528.db2.gz CXKQAADLVNHVIL-AWEZNQCLSA-N 1 2 258.325 2.466 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CCCCC1 ZINC000596860428 346097370 /nfs/dbraw/zinc/09/73/70/346097370.db2.gz ZMTKFNCRPCIRAW-UHFFFAOYSA-N 1 2 275.356 2.025 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CCCCC1 ZINC000596860428 346097372 /nfs/dbraw/zinc/09/73/72/346097372.db2.gz ZMTKFNCRPCIRAW-UHFFFAOYSA-N 1 2 275.356 2.025 20 30 CEEDLO N#Cc1sccc1N1CC[NH+](CC2(F)CC2)CC1 ZINC000597184669 346143478 /nfs/dbraw/zinc/14/34/78/346143478.db2.gz YCXZJYYDZUKTCI-UHFFFAOYSA-N 1 2 265.357 2.244 20 30 CEEDLO Cc1cn2ccc(NC(=O)N3CC[C@](F)(C#N)C3)cc2[nH+]1 ZINC000597130548 346132424 /nfs/dbraw/zinc/13/24/24/346132424.db2.gz UAVIRLSXARSDOY-AWEZNQCLSA-N 1 2 287.298 2.112 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597146812 346135338 /nfs/dbraw/zinc/13/53/38/346135338.db2.gz ZLOISWBYAKWWID-ZIAGYGMSSA-N 1 2 288.395 2.312 20 30 CEEDLO C=CCCn1cc(C[NH2+]CC2(C#N)CCCC2)nn1 ZINC000597157420 346137715 /nfs/dbraw/zinc/13/77/15/346137715.db2.gz HFOAYFPFOAGMRD-UHFFFAOYSA-N 1 2 259.357 2.028 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000597257860 346163552 /nfs/dbraw/zinc/16/35/52/346163552.db2.gz JACDAMUIMQHURK-HSMVNMDESA-N 1 2 286.379 2.103 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000597257860 346163553 /nfs/dbraw/zinc/16/35/53/346163553.db2.gz JACDAMUIMQHURK-HSMVNMDESA-N 1 2 286.379 2.103 20 30 CEEDLO Cc1cc(C)n2c(C[N@@H+]3CC[C@@](C)(C#N)C3)cnc2n1 ZINC000597231797 346155794 /nfs/dbraw/zinc/15/57/94/346155794.db2.gz OUAAZEPVJQGBFY-HNNXBMFYSA-N 1 2 269.352 2.082 20 30 CEEDLO Cc1cc(C)n2c(C[N@H+]3CC[C@@](C)(C#N)C3)cnc2n1 ZINC000597231797 346155797 /nfs/dbraw/zinc/15/57/97/346155797.db2.gz OUAAZEPVJQGBFY-HNNXBMFYSA-N 1 2 269.352 2.082 20 30 CEEDLO C[C@@H](CC#N)C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000597813805 346235220 /nfs/dbraw/zinc/23/52/20/346235220.db2.gz APMNAGNGSLQBPC-ZFWWWQNUSA-N 1 2 296.374 2.370 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000597856585 346238741 /nfs/dbraw/zinc/23/87/41/346238741.db2.gz HIBRTVWIFVQKPN-CQSZACIVSA-N 1 2 282.347 2.141 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000597856585 346238745 /nfs/dbraw/zinc/23/87/45/346238745.db2.gz HIBRTVWIFVQKPN-CQSZACIVSA-N 1 2 282.347 2.141 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@](C)(C#N)C1 ZINC000598415111 346351629 /nfs/dbraw/zinc/35/16/29/346351629.db2.gz LLSAGTYTUGBSJI-KRWDZBQOSA-N 1 2 296.374 2.497 20 30 CEEDLO CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@@H](C)C#N ZINC000598363067 346339672 /nfs/dbraw/zinc/33/96/72/346339672.db2.gz MCXRTKNHPMFJGW-JTQLQIEISA-N 1 2 270.336 2.256 20 30 CEEDLO CC(C)(C#N)C[C@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000598701090 346403410 /nfs/dbraw/zinc/40/34/10/346403410.db2.gz JGIYKQGCLTZOSF-ZDUSSCGKSA-N 1 2 270.336 2.246 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C2CC2)cc1 ZINC000598836202 346425871 /nfs/dbraw/zinc/42/58/71/346425871.db2.gz CIXFGKZSPSKPFW-MRXNPFEDSA-N 1 2 271.364 2.138 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000598958483 346437866 /nfs/dbraw/zinc/43/78/66/346437866.db2.gz QGOCDGQQAJSXRY-ZDUSSCGKSA-N 1 2 280.331 2.264 20 30 CEEDLO Cc1cc[nH+]c([C@@H]2CCN(c3cncc(C#N)n3)C2)c1 ZINC000599097318 346459837 /nfs/dbraw/zinc/45/98/37/346459837.db2.gz BLJWEUZCRJIRGF-GFCCVEGCSA-N 1 2 265.320 2.046 20 30 CEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000599372639 346509423 /nfs/dbraw/zinc/50/94/23/346509423.db2.gz XYSAVQGKALRRTG-JTQLQIEISA-N 1 2 256.309 2.409 20 30 CEEDLO COC(=O)CCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000599385022 346511360 /nfs/dbraw/zinc/51/13/60/346511360.db2.gz GQBJRAWSGQQKCL-LBPRGKRZSA-N 1 2 252.358 2.344 20 30 CEEDLO COC(=O)CCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000599385022 346511363 /nfs/dbraw/zinc/51/13/63/346511363.db2.gz GQBJRAWSGQQKCL-LBPRGKRZSA-N 1 2 252.358 2.344 20 30 CEEDLO CCC(O)(CC)C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599674055 346560092 /nfs/dbraw/zinc/56/00/92/346560092.db2.gz ZWUOCPRJRMGWGJ-UHFFFAOYSA-N 1 2 291.351 2.449 20 30 CEEDLO CCC(O)(CC)C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599674055 346560095 /nfs/dbraw/zinc/56/00/95/346560095.db2.gz ZWUOCPRJRMGWGJ-UHFFFAOYSA-N 1 2 291.351 2.449 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](CC1(C#N)CC1)C2 ZINC000599676996 346562676 /nfs/dbraw/zinc/56/26/76/346562676.db2.gz GVDKUGWVGDUWHF-UHFFFAOYSA-N 1 2 251.333 2.415 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](CC1(C#N)CC1)C2 ZINC000599676996 346562679 /nfs/dbraw/zinc/56/26/79/346562679.db2.gz GVDKUGWVGDUWHF-UHFFFAOYSA-N 1 2 251.333 2.415 20 30 CEEDLO COC(=O)c1ccc(F)c2c1C[N@H+](CCCC#N)CC2 ZINC000599550669 346535789 /nfs/dbraw/zinc/53/57/89/346535789.db2.gz XMZJUVKFVZGPQU-UHFFFAOYSA-N 1 2 276.311 2.274 20 30 CEEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](CCCC#N)CC2 ZINC000599550669 346535790 /nfs/dbraw/zinc/53/57/90/346535790.db2.gz XMZJUVKFVZGPQU-UHFFFAOYSA-N 1 2 276.311 2.274 20 30 CEEDLO C[C@@H]1C[N@H+](CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599593736 346543415 /nfs/dbraw/zinc/54/34/15/346543415.db2.gz DHYVLSQMQQITPH-NEPJUHHUSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@@H]1C[N@@H+](CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599593736 346543417 /nfs/dbraw/zinc/54/34/17/346543417.db2.gz DHYVLSQMQQITPH-NEPJUHHUSA-N 1 2 252.358 2.200 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCc3c(O)cccc3C2)ccn1 ZINC000599648096 346554046 /nfs/dbraw/zinc/55/40/46/346554046.db2.gz TVXQSRUDEYCLJV-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCc3c(O)cccc3C2)ccn1 ZINC000599648096 346554048 /nfs/dbraw/zinc/55/40/48/346554048.db2.gz TVXQSRUDEYCLJV-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951623 346587886 /nfs/dbraw/zinc/58/78/86/346587886.db2.gz GIHQPFDVOKKWGV-AWEZNQCLSA-N 1 2 294.358 2.067 20 30 CEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951623 346587888 /nfs/dbraw/zinc/58/78/88/346587888.db2.gz GIHQPFDVOKKWGV-AWEZNQCLSA-N 1 2 294.358 2.067 20 30 CEEDLO CCOC(=O)c1cccc(C[N@H+](CCC#N)C(C)C)n1 ZINC000600111784 346599459 /nfs/dbraw/zinc/59/94/59/346599459.db2.gz PUDIVAXPJZXUAC-UHFFFAOYSA-N 1 2 275.352 2.382 20 30 CEEDLO CCOC(=O)c1cccc(C[N@@H+](CCC#N)C(C)C)n1 ZINC000600111784 346599462 /nfs/dbraw/zinc/59/94/62/346599462.db2.gz PUDIVAXPJZXUAC-UHFFFAOYSA-N 1 2 275.352 2.382 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000600143596 346604643 /nfs/dbraw/zinc/60/46/43/346604643.db2.gz FCAZBZQNBBMONY-SECBINFHSA-N 1 2 253.296 2.280 20 30 CEEDLO Cc1[nH]c(CN2Cc3cccc(C#N)c3C2)[nH+]c1C ZINC000600177333 346615789 /nfs/dbraw/zinc/61/57/89/346615789.db2.gz QFOQTMGZNMMABX-UHFFFAOYSA-N 1 2 252.321 2.414 20 30 CEEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000600215638 346625397 /nfs/dbraw/zinc/62/53/97/346625397.db2.gz QLTZQHSLTQVNPX-INIZCTEOSA-N 1 2 296.326 2.424 20 30 CEEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000600215638 346625398 /nfs/dbraw/zinc/62/53/98/346625398.db2.gz QLTZQHSLTQVNPX-INIZCTEOSA-N 1 2 296.326 2.424 20 30 CEEDLO N#Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)nc(C2CC2)n1 ZINC000601125095 346760717 /nfs/dbraw/zinc/76/07/17/346760717.db2.gz CTQGGJQFUDCFSF-UHFFFAOYSA-N 1 2 294.362 2.333 20 30 CEEDLO N#Cc1cc(N2CCC(c3c[nH+]c[nH]3)CC2)nc(C2CC2)n1 ZINC000601125095 346760720 /nfs/dbraw/zinc/76/07/20/346760720.db2.gz CTQGGJQFUDCFSF-UHFFFAOYSA-N 1 2 294.362 2.333 20 30 CEEDLO CC(C)n1ncnc1C[NH2+]CC1(C#N)CCCCC1 ZINC000601132513 346763749 /nfs/dbraw/zinc/76/37/49/346763749.db2.gz IPXUNDBCWAHCAN-UHFFFAOYSA-N 1 2 261.373 2.423 20 30 CEEDLO CC(C)(CNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC000601198187 346784544 /nfs/dbraw/zinc/78/45/44/346784544.db2.gz QDECDABHAABDCA-UHFFFAOYSA-N 1 2 259.288 2.136 20 30 CEEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602700644 347156888 /nfs/dbraw/zinc/15/68/88/347156888.db2.gz VEANICGCQOQLCR-AWEZNQCLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602700644 347156890 /nfs/dbraw/zinc/15/68/90/347156890.db2.gz VEANICGCQOQLCR-AWEZNQCLSA-N 1 2 259.353 2.343 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602778041 347194115 /nfs/dbraw/zinc/19/41/15/347194115.db2.gz ASTKOOFILXTPAE-OAHLLOKOSA-N 1 2 284.407 2.454 20 30 CEEDLO N#CCC1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000602806119 347207433 /nfs/dbraw/zinc/20/74/33/347207433.db2.gz LMUHXFUPNYJZGG-UHFFFAOYSA-N 1 2 260.341 2.148 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)C(=O)OC ZINC000602732787 347176754 /nfs/dbraw/zinc/17/67/54/347176754.db2.gz DYIFFWAFUMZXDM-IUODEOHRSA-N 1 2 277.364 2.421 20 30 CEEDLO N#CCCN1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000602748855 347184281 /nfs/dbraw/zinc/18/42/81/347184281.db2.gz SWSNRQGUZXWELU-UHFFFAOYSA-N 1 2 279.771 2.077 20 30 CEEDLO CCCCN(CCCC)C(=O)C[NH2+][C@H](C)CC#N ZINC000602862080 347228782 /nfs/dbraw/zinc/22/87/82/347228782.db2.gz IWBIFMBTDCPJRS-CYBMUJFWSA-N 1 2 253.390 2.307 20 30 CEEDLO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N)cc1C ZINC000602863263 347230373 /nfs/dbraw/zinc/23/03/73/347230373.db2.gz MCVQFESSYFLJJK-UONOGXRCSA-N 1 2 273.380 2.372 20 30 CEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602866397 347231365 /nfs/dbraw/zinc/23/13/65/347231365.db2.gz ZQUGETQDFRTLLG-OAHLLOKOSA-N 1 2 298.390 2.442 20 30 CEEDLO C[C@@H](CC#N)[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000602870577 347232910 /nfs/dbraw/zinc/23/29/10/347232910.db2.gz NLXKFCXEAAFSKK-NSHDSACASA-N 1 2 268.320 2.241 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000602884650 347238306 /nfs/dbraw/zinc/23/83/06/347238306.db2.gz QFIKPOVIFTVCFE-GFCCVEGCSA-N 1 2 260.341 2.148 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000602884650 347238310 /nfs/dbraw/zinc/23/83/10/347238310.db2.gz QFIKPOVIFTVCFE-GFCCVEGCSA-N 1 2 260.341 2.148 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973641 347260513 /nfs/dbraw/zinc/26/05/13/347260513.db2.gz CQMMIXYIPLQIRU-SJORKVTESA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973641 347260516 /nfs/dbraw/zinc/26/05/16/347260516.db2.gz CQMMIXYIPLQIRU-SJORKVTESA-N 1 2 299.418 2.278 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974659 347261088 /nfs/dbraw/zinc/26/10/88/347261088.db2.gz RPRPBFRJTPXQMM-CVEARBPZSA-N 1 2 285.391 2.269 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974659 347261094 /nfs/dbraw/zinc/26/10/94/347261094.db2.gz RPRPBFRJTPXQMM-CVEARBPZSA-N 1 2 285.391 2.269 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000602974975 347261520 /nfs/dbraw/zinc/26/15/20/347261520.db2.gz WNUPONBYMHVMPR-ZYHUDNBSSA-N 1 2 262.309 2.190 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000602974975 347261522 /nfs/dbraw/zinc/26/15/22/347261522.db2.gz WNUPONBYMHVMPR-ZYHUDNBSSA-N 1 2 262.309 2.190 20 30 CEEDLO C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H]1CCC[C@H]1C#N ZINC000602981449 347265006 /nfs/dbraw/zinc/26/50/06/347265006.db2.gz DIZHZGFTDFXELD-AAEUAGOBSA-N 1 2 272.352 2.184 20 30 CEEDLO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H]1CCC[C@H]1C#N ZINC000602981449 347265008 /nfs/dbraw/zinc/26/50/08/347265008.db2.gz DIZHZGFTDFXELD-AAEUAGOBSA-N 1 2 272.352 2.184 20 30 CEEDLO N#C[C@H]1CC[C@@H](N2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000603006974 347271200 /nfs/dbraw/zinc/27/12/00/347271200.db2.gz SVBBAGGBWCRTDU-JKSUJKDBSA-N 1 2 285.391 2.202 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H]1CCCn2nccc21 ZINC000603029067 347274434 /nfs/dbraw/zinc/27/44/34/347274434.db2.gz IPAFITUXRFSPJL-ZDUSSCGKSA-N 1 2 297.318 2.288 20 30 CEEDLO Cc1cc(N2C[C@@H](C)N(CC#N)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000603400725 347359466 /nfs/dbraw/zinc/35/94/66/347359466.db2.gz MGTMFLGASWDXHS-CHWSQXEVSA-N 1 2 285.395 2.085 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CCn1ccccc1=O ZINC000609540066 347642650 /nfs/dbraw/zinc/64/26/50/347642650.db2.gz SBVJFGPOIXDVHM-UHFFFAOYSA-N 1 2 261.369 2.110 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CCn1ccccc1=O ZINC000609540066 347642651 /nfs/dbraw/zinc/64/26/51/347642651.db2.gz SBVJFGPOIXDVHM-UHFFFAOYSA-N 1 2 261.369 2.110 20 30 CEEDLO N#Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)s1 ZINC000610520534 347688589 /nfs/dbraw/zinc/68/85/89/347688589.db2.gz MZPBXTTZSQGYOF-UHFFFAOYSA-N 1 2 297.383 2.365 20 30 CEEDLO CCCCn1nnnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611387785 347771935 /nfs/dbraw/zinc/77/19/35/347771935.db2.gz SSQYMNVCCXFZKG-GFCCVEGCSA-N 1 2 284.367 2.196 20 30 CEEDLO CC(C)CCN(CCC#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610930141 347723434 /nfs/dbraw/zinc/72/34/34/347723434.db2.gz YULLFNPVAZUOFL-UHFFFAOYSA-N 1 2 284.367 2.428 20 30 CEEDLO N#Cc1cccc(OCCC[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000611009288 347732254 /nfs/dbraw/zinc/73/22/54/347732254.db2.gz WZYXUAPEFQJIHJ-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO N#Cc1cccc(OCCC[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000611009288 347732256 /nfs/dbraw/zinc/73/22/56/347732256.db2.gz WZYXUAPEFQJIHJ-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO N#Cc1cccc(OCCC[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000611009288 347732259 /nfs/dbraw/zinc/73/22/59/347732259.db2.gz WZYXUAPEFQJIHJ-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO N#Cc1cccc(OCCC[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000611009288 347732260 /nfs/dbraw/zinc/73/22/60/347732260.db2.gz WZYXUAPEFQJIHJ-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000612166733 347852583 /nfs/dbraw/zinc/85/25/83/347852583.db2.gz WOMWNTWMQZAZTA-GOEBONIOSA-N 1 2 292.354 2.191 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000612166733 347852587 /nfs/dbraw/zinc/85/25/87/347852587.db2.gz WOMWNTWMQZAZTA-GOEBONIOSA-N 1 2 292.354 2.191 20 30 CEEDLO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@](C)(C#N)C3)cnc2n1 ZINC000612407099 347880956 /nfs/dbraw/zinc/88/09/56/347880956.db2.gz YRISSJQRQNGKTM-INIZCTEOSA-N 1 2 283.379 2.472 20 30 CEEDLO Cc1cc(C)n2c(C[N@H+]3CCC[C@@](C)(C#N)C3)cnc2n1 ZINC000612407099 347880958 /nfs/dbraw/zinc/88/09/58/347880958.db2.gz YRISSJQRQNGKTM-INIZCTEOSA-N 1 2 283.379 2.472 20 30 CEEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)cn1 ZINC000612586844 347904760 /nfs/dbraw/zinc/90/47/60/347904760.db2.gz RAOACXJRNXWVCL-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cn1 ZINC000612586844 347904763 /nfs/dbraw/zinc/90/47/63/347904763.db2.gz RAOACXJRNXWVCL-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614134138 348147872 /nfs/dbraw/zinc/14/78/72/348147872.db2.gz TYVUWGQQLGPQNV-RYUDHWBXSA-N 1 2 259.353 2.082 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614134138 348147874 /nfs/dbraw/zinc/14/78/74/348147874.db2.gz TYVUWGQQLGPQNV-RYUDHWBXSA-N 1 2 259.353 2.082 20 30 CEEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c(C)n1 ZINC000614176991 348154915 /nfs/dbraw/zinc/15/49/15/348154915.db2.gz DXBROKQQQYLGLR-KRWDZBQOSA-N 1 2 286.423 2.364 20 30 CEEDLO C=C(CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000614867702 348248123 /nfs/dbraw/zinc/24/81/23/348248123.db2.gz QIYNDNQSSFJPFW-CQSZACIVSA-N 1 2 281.359 2.344 20 30 CEEDLO C=C(CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000614867702 348248125 /nfs/dbraw/zinc/24/81/25/348248125.db2.gz QIYNDNQSSFJPFW-CQSZACIVSA-N 1 2 281.359 2.344 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540466 362872356 /nfs/dbraw/zinc/87/23/56/362872356.db2.gz XQWSVTMPBKSZLP-SFHVURJKSA-N 1 2 295.386 2.405 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540466 362872363 /nfs/dbraw/zinc/87/23/63/362872363.db2.gz XQWSVTMPBKSZLP-SFHVURJKSA-N 1 2 295.386 2.405 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ncn(C)n1 ZINC000615093052 348279693 /nfs/dbraw/zinc/27/96/93/348279693.db2.gz VZJUYTOFDWSCOA-ABAIWWIYSA-N 1 2 281.363 2.415 20 30 CEEDLO Cc1ccc(NC(=O)N2CC[C@@](F)(C#N)C2)c(C)[nH+]1 ZINC000615537288 348345232 /nfs/dbraw/zinc/34/52/32/348345232.db2.gz YOYMRGFZGCKXDW-CYBMUJFWSA-N 1 2 262.288 2.168 20 30 CEEDLO Cc1cccn2c(CN3CC[C@@](F)(C#N)C3)c[nH+]c12 ZINC000615652272 348368053 /nfs/dbraw/zinc/36/80/53/348368053.db2.gz VPIMITZPSPOLSD-CQSZACIVSA-N 1 2 258.300 2.080 20 30 CEEDLO N#C[C@@]1(F)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000615664574 348369844 /nfs/dbraw/zinc/36/98/44/348369844.db2.gz OAWFQDKDPHHFBG-INIZCTEOSA-N 1 2 298.321 2.009 20 30 CEEDLO CCc1nnc(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)[nH]1 ZINC000616824182 348577515 /nfs/dbraw/zinc/57/75/15/348577515.db2.gz XDPBHUGOVCQEDS-UHFFFAOYSA-N 1 2 296.378 2.013 20 30 CEEDLO CCc1n[nH]c(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)n1 ZINC000616824182 348577520 /nfs/dbraw/zinc/57/75/20/348577520.db2.gz XDPBHUGOVCQEDS-UHFFFAOYSA-N 1 2 296.378 2.013 20 30 CEEDLO CCc1nc(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)n[nH]1 ZINC000616824182 348577525 /nfs/dbraw/zinc/57/75/25/348577525.db2.gz XDPBHUGOVCQEDS-UHFFFAOYSA-N 1 2 296.378 2.013 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000617895528 348813579 /nfs/dbraw/zinc/81/35/79/348813579.db2.gz QDEHDXJKOKOCET-CWTRNNRKSA-N 1 2 276.405 2.067 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000617895528 348813580 /nfs/dbraw/zinc/81/35/80/348813580.db2.gz QDEHDXJKOKOCET-CWTRNNRKSA-N 1 2 276.405 2.067 20 30 CEEDLO COc1cc(Oc2cc(-n3cc[nH+]c3)ncn2)ccc1C#N ZINC000618173658 348892558 /nfs/dbraw/zinc/89/25/58/348892558.db2.gz CTKBDQROOLTZKS-UHFFFAOYSA-N 1 2 293.286 2.335 20 30 CEEDLO C=CCC1(NC(=O)NCc2c[nH+]cn2C)CCCCC1 ZINC000458800351 539683270 /nfs/dbraw/zinc/68/32/70/539683270.db2.gz GRRYOJGFDGSOLY-UHFFFAOYSA-N 1 2 276.384 2.498 20 30 CEEDLO Cc1cc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc[nH+]1 ZINC000618762769 349039262 /nfs/dbraw/zinc/03/92/62/349039262.db2.gz WUXHWENCOIBDNT-INIZCTEOSA-N 1 2 292.342 2.493 20 30 CEEDLO N#C[C@]1(F)CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000619497567 349188787 /nfs/dbraw/zinc/18/87/87/349188787.db2.gz MPXDKMCJHJGDGO-CQSZACIVSA-N 1 2 257.268 2.382 20 30 CEEDLO C=C[C@H]([NH2+][C@@H]1CCCC[C@@H]1SCC)C(=O)OC ZINC000619721661 349228778 /nfs/dbraw/zinc/22/87/78/349228778.db2.gz HLLVUERJCYKDNI-TUAOUCFPSA-N 1 2 257.399 2.368 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619550496 349197757 /nfs/dbraw/zinc/19/77/57/349197757.db2.gz HULUENGNWBNPMT-GFCCVEGCSA-N 1 2 284.319 2.134 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC000620303877 349338069 /nfs/dbraw/zinc/33/80/69/349338069.db2.gz ICFJKXNZTPZJAR-BETUJISGSA-N 1 2 259.353 2.062 20 30 CEEDLO C=CCOc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000620597797 349396137 /nfs/dbraw/zinc/39/61/37/349396137.db2.gz RKSRXGPBSZEGCF-LBPRGKRZSA-N 1 2 285.347 2.476 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614964 180013613 /nfs/dbraw/zinc/01/36/13/180013613.db2.gz RHWJFPICPXWUER-NSHDSACASA-N 1 2 278.783 2.389 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614964 180013614 /nfs/dbraw/zinc/01/36/14/180013614.db2.gz RHWJFPICPXWUER-NSHDSACASA-N 1 2 278.783 2.389 20 30 CEEDLO C=C(C)CN(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271330783 191077671 /nfs/dbraw/zinc/07/76/71/191077671.db2.gz LXAVWNMVMMKRGT-UHFFFAOYSA-N 1 2 270.336 2.306 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361369 180368337 /nfs/dbraw/zinc/36/83/37/180368337.db2.gz DEZUOMUKXPBQQW-OAHLLOKOSA-N 1 2 297.395 2.309 20 30 CEEDLO C=CC[N@H+](Cc1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361369 180368338 /nfs/dbraw/zinc/36/83/38/180368338.db2.gz DEZUOMUKXPBQQW-OAHLLOKOSA-N 1 2 297.395 2.309 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(O)ccc2Cl)C1=O ZINC000625388571 350487495 /nfs/dbraw/zinc/48/74/95/350487495.db2.gz SEAPAZZOSCVWMK-AWEZNQCLSA-N 1 2 294.782 2.264 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2Cl)C1=O ZINC000625388571 350487497 /nfs/dbraw/zinc/48/74/97/350487497.db2.gz SEAPAZZOSCVWMK-AWEZNQCLSA-N 1 2 294.782 2.264 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063525 186157324 /nfs/dbraw/zinc/15/73/24/186157324.db2.gz PBYMOGHKOPQJKZ-SNVBAGLBSA-N 1 2 282.746 2.049 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063525 186157326 /nfs/dbraw/zinc/15/73/26/186157326.db2.gz PBYMOGHKOPQJKZ-SNVBAGLBSA-N 1 2 282.746 2.049 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)ccc1F ZINC000291905172 198101541 /nfs/dbraw/zinc/10/15/41/198101541.db2.gz RLWJJLHCOQLQCK-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)ccc1F ZINC000291905172 198101543 /nfs/dbraw/zinc/10/15/43/198101543.db2.gz RLWJJLHCOQLQCK-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO C=C1CC(C)(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000630864190 351875466 /nfs/dbraw/zinc/87/54/66/351875466.db2.gz ZLYZALVEMYHCBQ-UHFFFAOYSA-N 1 2 259.353 2.472 20 30 CEEDLO C=CCCOCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631183109 352004285 /nfs/dbraw/zinc/00/42/85/352004285.db2.gz JTEMEDITYPWOGG-UHFFFAOYSA-N 1 2 272.352 2.262 20 30 CEEDLO C=CC[C@H](Cc1ccccc1)Nc1nc(C)[nH+]c(N)n1 ZINC000631304338 352062513 /nfs/dbraw/zinc/06/25/13/352062513.db2.gz RHHYWVDAEZLQDJ-CYBMUJFWSA-N 1 2 269.352 2.192 20 30 CEEDLO C=CC[C@H](Cc1ccccc1)Nc1nc(N)nc(C)[nH+]1 ZINC000631304338 352062516 /nfs/dbraw/zinc/06/25/16/352062516.db2.gz RHHYWVDAEZLQDJ-CYBMUJFWSA-N 1 2 269.352 2.192 20 30 CEEDLO C=CCN(CC=C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153275455 188074813 /nfs/dbraw/zinc/07/48/13/188074813.db2.gz XVFWVGDSMGQKFI-CQSZACIVSA-N 1 2 286.379 2.044 20 30 CEEDLO CCC[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)NC ZINC000156282208 188253044 /nfs/dbraw/zinc/25/30/44/188253044.db2.gz DBPNXKCYJKIMHK-UHFFFAOYSA-N 1 2 278.783 2.150 20 30 CEEDLO CCC[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)NC ZINC000156282208 188253045 /nfs/dbraw/zinc/25/30/45/188253045.db2.gz DBPNXKCYJKIMHK-UHFFFAOYSA-N 1 2 278.783 2.150 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156526902 188267089 /nfs/dbraw/zinc/26/70/89/188267089.db2.gz UJTVFPKBTONWCQ-OLZOCXBDSA-N 1 2 290.363 2.055 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156526902 188267090 /nfs/dbraw/zinc/26/70/90/188267090.db2.gz UJTVFPKBTONWCQ-OLZOCXBDSA-N 1 2 290.363 2.055 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000157621799 188328836 /nfs/dbraw/zinc/32/88/36/188328836.db2.gz ULWFIFDVSYCMPW-CQSZACIVSA-N 1 2 260.337 2.332 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000157621799 188328837 /nfs/dbraw/zinc/32/88/37/188328837.db2.gz ULWFIFDVSYCMPW-CQSZACIVSA-N 1 2 260.337 2.332 20 30 CEEDLO CCc1[nH+]c(C(C)C)ccc1Cn1cnc(C#N)n1 ZINC000292645770 198361315 /nfs/dbraw/zinc/36/13/15/198361315.db2.gz LXUSYSYDMDPUSB-UHFFFAOYSA-N 1 2 255.325 2.279 20 30 CEEDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccc(C#N)c1F ZINC000337243351 366101881 /nfs/dbraw/zinc/10/18/81/366101881.db2.gz NTEIZCVUSRVJHO-NSHDSACASA-N 1 2 278.327 2.471 20 30 CEEDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccc(C#N)c1F ZINC000337243351 366101887 /nfs/dbraw/zinc/10/18/87/366101887.db2.gz NTEIZCVUSRVJHO-NSHDSACASA-N 1 2 278.327 2.471 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000338123932 366201119 /nfs/dbraw/zinc/20/11/19/366201119.db2.gz IYULABPJNKNWBG-AWEZNQCLSA-N 1 2 294.358 2.371 20 30 CEEDLO CCc1cc(=O)[nH]c(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000271786282 191325552 /nfs/dbraw/zinc/32/55/52/191325552.db2.gz MMZNFKZMCOLAIF-UHFFFAOYSA-N 1 2 294.358 2.395 20 30 CEEDLO C[C@@H](C#N)CN(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000338292695 366277986 /nfs/dbraw/zinc/27/79/86/366277986.db2.gz QEVGKEZZSNAEAT-LBPRGKRZSA-N 1 2 282.347 2.027 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000134042246 366279753 /nfs/dbraw/zinc/27/97/53/366279753.db2.gz YBXPRMQRZPJZSJ-UHFFFAOYSA-N 1 2 276.311 2.036 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000134042246 366279756 /nfs/dbraw/zinc/27/97/56/366279756.db2.gz YBXPRMQRZPJZSJ-UHFFFAOYSA-N 1 2 276.311 2.036 20 30 CEEDLO N#Cc1csc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)n1 ZINC000414479715 283247696 /nfs/dbraw/zinc/24/76/96/283247696.db2.gz BCRDQUSPLLYMHH-KBPBESRZSA-N 1 2 285.372 2.323 20 30 CEEDLO N#Cc1csc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)n1 ZINC000414479715 283247698 /nfs/dbraw/zinc/24/76/98/283247698.db2.gz BCRDQUSPLLYMHH-KBPBESRZSA-N 1 2 285.372 2.323 20 30 CEEDLO C#CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000151034901 366613848 /nfs/dbraw/zinc/61/38/48/366613848.db2.gz RWLXOALATKVETL-HRCADAONSA-N 1 2 297.464 2.325 20 30 CEEDLO C#CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000151034901 366613850 /nfs/dbraw/zinc/61/38/50/366613850.db2.gz RWLXOALATKVETL-HRCADAONSA-N 1 2 297.464 2.325 20 30 CEEDLO COC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000177293744 189042388 /nfs/dbraw/zinc/04/23/88/189042388.db2.gz YAKFEZJQEKKPOH-HNNXBMFYSA-N 1 2 279.767 2.039 20 30 CEEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000177293744 189042389 /nfs/dbraw/zinc/04/23/89/189042389.db2.gz YAKFEZJQEKKPOH-HNNXBMFYSA-N 1 2 279.767 2.039 20 30 CEEDLO C#CCCCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000177361467 189045968 /nfs/dbraw/zinc/04/59/68/189045968.db2.gz IVDRUMSRLDCJBP-UHFFFAOYSA-N 1 2 269.348 2.264 20 30 CEEDLO C=C(C)COc1cc(C[NH+]2CCOCC2)ccc1OC ZINC000154523737 366778000 /nfs/dbraw/zinc/77/80/00/366778000.db2.gz CUFAKNDPZKZVQN-UHFFFAOYSA-N 1 2 277.364 2.482 20 30 CEEDLO N#Cc1ccccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000340211960 366805314 /nfs/dbraw/zinc/80/53/14/366805314.db2.gz HEGRARIEDJKSNB-UHFFFAOYSA-N 1 2 281.359 2.338 20 30 CEEDLO N#Cc1ccccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000340211960 366805321 /nfs/dbraw/zinc/80/53/21/366805321.db2.gz HEGRARIEDJKSNB-UHFFFAOYSA-N 1 2 281.359 2.338 20 30 CEEDLO COc1ccccc1NC(=O)C1CC[NH+](CCC#N)CC1 ZINC000029903620 361693682 /nfs/dbraw/zinc/69/36/82/361693682.db2.gz FMSYAULLHVBNES-UHFFFAOYSA-N 1 2 287.363 2.259 20 30 CEEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000087833082 363872453 /nfs/dbraw/zinc/87/24/53/363872453.db2.gz CTCJQQUAZUZFNL-TXEJJXNPSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000087833082 363872459 /nfs/dbraw/zinc/87/24/59/363872459.db2.gz CTCJQQUAZUZFNL-TXEJJXNPSA-N 1 2 260.337 2.176 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000092736449 364102877 /nfs/dbraw/zinc/10/28/77/364102877.db2.gz MDBPXGCOWXQIGX-UHFFFAOYSA-N 1 2 283.335 2.264 20 30 CEEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1nccs1 ZINC000093582335 364201214 /nfs/dbraw/zinc/20/12/14/364201214.db2.gz FCCCAMADNHNCLZ-UHFFFAOYSA-N 1 2 283.360 2.294 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000335022488 364364552 /nfs/dbraw/zinc/36/45/52/364364552.db2.gz RPVAUIAOANQYTE-UHFFFAOYSA-N 1 2 273.380 2.333 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158202572 366853770 /nfs/dbraw/zinc/85/37/70/366853770.db2.gz FXCJOEFQWDASRS-UHFFFAOYSA-N 1 2 280.412 2.056 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000158202572 366853775 /nfs/dbraw/zinc/85/37/75/366853775.db2.gz FXCJOEFQWDASRS-UHFFFAOYSA-N 1 2 280.412 2.056 20 30 CEEDLO N#C[C@H]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000335394497 364699586 /nfs/dbraw/zinc/69/95/86/364699586.db2.gz GADIZMJVQUUFSI-GXTWGEPZSA-N 1 2 280.331 2.294 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)s1 ZINC000335424257 364717333 /nfs/dbraw/zinc/71/73/33/364717333.db2.gz QGQAKXHLONUGAG-CYBMUJFWSA-N 1 2 280.418 2.328 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)s1 ZINC000335424257 364717336 /nfs/dbraw/zinc/71/73/36/364717336.db2.gz QGQAKXHLONUGAG-CYBMUJFWSA-N 1 2 280.418 2.328 20 30 CEEDLO N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336004598 365278712 /nfs/dbraw/zinc/27/87/12/365278712.db2.gz CPPYQSPRPCIYSY-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336004598 365278713 /nfs/dbraw/zinc/27/87/13/365278713.db2.gz CPPYQSPRPCIYSY-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1C ZINC000275711145 193110796 /nfs/dbraw/zinc/11/07/96/193110796.db2.gz RPIZPXICEGJSKZ-LBPRGKRZSA-N 1 2 254.337 2.485 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1C ZINC000275711145 193110797 /nfs/dbraw/zinc/11/07/97/193110797.db2.gz RPIZPXICEGJSKZ-LBPRGKRZSA-N 1 2 254.337 2.485 20 30 CEEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275808301 193134585 /nfs/dbraw/zinc/13/45/85/193134585.db2.gz ZHHPFGOUEUYPIB-OLZOCXBDSA-N 1 2 284.363 2.239 20 30 CEEDLO CC(C)c1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000582423536 366910478 /nfs/dbraw/zinc/91/04/78/366910478.db2.gz BVMDUIIBOQCIKX-QGZVFWFLSA-N 1 2 287.407 2.313 20 30 CEEDLO Cn1ccnc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000160790733 367034548 /nfs/dbraw/zinc/03/45/48/367034548.db2.gz LHFVRALQFKJIQU-UHFFFAOYSA-N 1 2 295.390 2.004 20 30 CEEDLO Cn1ccnc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000160790733 367034550 /nfs/dbraw/zinc/03/45/50/367034550.db2.gz LHFVRALQFKJIQU-UHFFFAOYSA-N 1 2 295.390 2.004 20 30 CEEDLO CC[N@H+](Cc1nncn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000160800918 367035761 /nfs/dbraw/zinc/03/57/61/367035761.db2.gz DDBDLUAZCAUESQ-GFCCVEGCSA-N 1 2 269.352 2.270 20 30 CEEDLO CC[N@@H+](Cc1nncn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000160800918 367035766 /nfs/dbraw/zinc/03/57/66/367035766.db2.gz DDBDLUAZCAUESQ-GFCCVEGCSA-N 1 2 269.352 2.270 20 30 CEEDLO Cc1nnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000583722990 367088087 /nfs/dbraw/zinc/08/80/87/367088087.db2.gz WZLVHQZURCXDBF-ZDUSSCGKSA-N 1 2 270.361 2.495 20 30 CEEDLO CCCCNC(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000357930434 370840335 /nfs/dbraw/zinc/84/03/35/370840335.db2.gz OBSLURJSOPWFDV-UHFFFAOYSA-N 1 2 277.368 2.302 20 30 CEEDLO CCCCNC(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000357930434 370840340 /nfs/dbraw/zinc/84/03/40/370840340.db2.gz OBSLURJSOPWFDV-UHFFFAOYSA-N 1 2 277.368 2.302 20 30 CEEDLO C[C@H](C#N)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000357830264 370831257 /nfs/dbraw/zinc/83/12/57/370831257.db2.gz PQPBGHSWYARAGH-CYBMUJFWSA-N 1 2 286.379 2.238 20 30 CEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885845 367200246 /nfs/dbraw/zinc/20/02/46/367200246.db2.gz YWOYRRKSCNARLC-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885845 367200251 /nfs/dbraw/zinc/20/02/51/367200251.db2.gz YWOYRRKSCNARLC-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO N#CC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC000598308582 367211393 /nfs/dbraw/zinc/21/13/93/367211393.db2.gz LWEOJVOVQZRLAP-ZDUSSCGKSA-N 1 2 286.379 2.036 20 30 CEEDLO CCN(CC)c1ccc(Nc2nccnc2C#N)c[nH+]1 ZINC000171026380 367463729 /nfs/dbraw/zinc/46/37/29/367463729.db2.gz OTHNOMDABYWCEC-UHFFFAOYSA-N 1 2 268.324 2.333 20 30 CEEDLO COCCN(Cc1[nH+]cc(C)n1C)Cc1ccc(C#N)cc1 ZINC000342789070 367536023 /nfs/dbraw/zinc/53/60/23/367536023.db2.gz WZKLKGDSBZJCID-UHFFFAOYSA-N 1 2 298.390 2.249 20 30 CEEDLO Cc1c[nH+]c(CN2CCO[C@H](c3cccc(C#N)c3)C2)n1C ZINC000342789029 367536500 /nfs/dbraw/zinc/53/65/00/367536500.db2.gz WNRZGBGQFFFNPX-INIZCTEOSA-N 1 2 296.374 2.174 20 30 CEEDLO C=CCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000171438191 367542434 /nfs/dbraw/zinc/54/24/34/367542434.db2.gz YGANBKIYEZKFSE-UHFFFAOYSA-N 1 2 274.364 2.424 20 30 CEEDLO C=CCC[N@@H+](C)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000342734385 367506490 /nfs/dbraw/zinc/50/64/90/367506490.db2.gz KNKKAHBTACQVSF-UHFFFAOYSA-N 1 2 298.394 2.344 20 30 CEEDLO C=CCC[N@H+](C)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000342734385 367506491 /nfs/dbraw/zinc/50/64/91/367506491.db2.gz KNKKAHBTACQVSF-UHFFFAOYSA-N 1 2 298.394 2.344 20 30 CEEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275883489 193155290 /nfs/dbraw/zinc/15/52/90/193155290.db2.gz XAFXLNGFEHIQFN-ZDUSSCGKSA-N 1 2 284.363 2.068 20 30 CEEDLO N#CC1(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)CC1 ZINC000343243701 367722605 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394564148 /nfs/dbraw/zinc/56/41/48/394564148.db2.gz LEFMZYZIOQCMTF-ZDUSSCGKSA-N 1 2 291.399 2.049 20 30 CEEDLO CC[C@@H]1C[C@@H](C(=O)NCc2[nH]c[nH+]c2C)CC(=O)N1 ZINC000329440793 394564169 /nfs/dbraw/zinc/56/41/69/394564169.db2.gz MZXHAJXIFNTTKV-NXEZZACHSA-N 1 2 264.329 2.320 20 30 CEEDLO NC(=O)C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000329453663 394564880 /nfs/dbraw/zinc/56/48/80/394564880.db2.gz NQWDWJWVYDUYTN-LLVKDONJSA-N 1 2 290.367 2.498 20 30 CEEDLO O=C(CC[C@@H]1CCCO1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329629469 394577279 /nfs/dbraw/zinc/57/72/79/394577279.db2.gz VBAAYTXJAAPGSK-MNOVXSKESA-N 1 2 263.341 2.183 20 30 CEEDLO O=C(CC[C@@H]1CCCO1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329629469 394577280 /nfs/dbraw/zinc/57/72/80/394577280.db2.gz VBAAYTXJAAPGSK-MNOVXSKESA-N 1 2 263.341 2.183 20 30 CEEDLO CC[C@@H]1[C@H](C)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329618498 394577593 /nfs/dbraw/zinc/57/75/93/394577593.db2.gz QMBCEUPEDBNVEV-UHIISALHSA-N 1 2 276.384 2.301 20 30 CEEDLO 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/nfs/dbraw/zinc/59/96/47/394599647.db2.gz VGYCEDHVCIQREK-FRRDWIJNSA-N 1 2 276.384 2.232 20 30 CEEDLO C=C1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000334296723 394671984 /nfs/dbraw/zinc/67/19/84/394671984.db2.gz ZQVXDIBHUFSMEJ-UHFFFAOYSA-N 1 2 254.337 2.419 20 30 CEEDLO C[C@H](C#N)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334343984 394676087 /nfs/dbraw/zinc/67/60/87/394676087.db2.gz RWFFSBOIQVTACF-OLZOCXBDSA-N 1 2 286.379 2.085 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](CF)C2)cc(OC)c1O ZINC000414472258 394744700 /nfs/dbraw/zinc/74/47/00/394744700.db2.gz RMUOGJNHWPKTOV-CQSZACIVSA-N 1 2 295.354 2.300 20 30 CEEDLO C=CCc1cc(C[N@H+]2CCO[C@H](CF)C2)cc(OC)c1O ZINC000414472258 394744702 /nfs/dbraw/zinc/74/47/02/394744702.db2.gz RMUOGJNHWPKTOV-CQSZACIVSA-N 1 2 295.354 2.300 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C)CC#N ZINC000268305567 394692001 /nfs/dbraw/zinc/69/20/01/394692001.db2.gz OCFNVAIVASGRGD-GFCCVEGCSA-N 1 2 273.336 2.180 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)CC#N ZINC000268305567 394692007 /nfs/dbraw/zinc/69/20/07/394692007.db2.gz OCFNVAIVASGRGD-GFCCVEGCSA-N 1 2 273.336 2.180 20 30 CEEDLO Cc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c(C)c1 ZINC000268283156 394692268 /nfs/dbraw/zinc/69/22/68/394692268.db2.gz GQBKEAPVWOFHGH-CABCVRRESA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)c(C)c1 ZINC000268283156 394692272 /nfs/dbraw/zinc/69/22/72/394692272.db2.gz GQBKEAPVWOFHGH-CABCVRRESA-N 1 2 276.380 2.277 20 30 CEEDLO Oc1cccc(/C=N/[C@H]2CCN(c3cccc[nH+]3)C2)c1O ZINC000269982652 394724862 /nfs/dbraw/zinc/72/48/62/394724862.db2.gz PCJSKQRMNNNDHN-SGPNVBEDSA-N 1 2 283.331 2.191 20 30 CEEDLO C[C@@H]1C[C@@H](C/[NH+]=C/c2ccc(O)c(O)c2O)CCO1 ZINC000271457755 394758418 /nfs/dbraw/zinc/75/84/18/394758418.db2.gz WJDRGECTEARYHB-RBMASBHUSA-N 1 2 265.309 2.037 20 30 CEEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000274818430 394802757 /nfs/dbraw/zinc/80/27/57/394802757.db2.gz AWLBCAPGYYLYPZ-IUODEOHRSA-N 1 2 272.348 2.332 20 30 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295.452 2.272 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000343762902 395044855 /nfs/dbraw/zinc/04/48/55/395044855.db2.gz HWEYQDLTKXNKND-LZWOXQAQSA-N 1 2 280.412 2.321 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000343762902 395044859 /nfs/dbraw/zinc/04/48/59/395044859.db2.gz HWEYQDLTKXNKND-LZWOXQAQSA-N 1 2 280.412 2.321 20 30 CEEDLO C#C[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000372767542 395045788 /nfs/dbraw/zinc/04/57/88/395045788.db2.gz MRISQUOHKXQCIR-LLVKDONJSA-N 1 2 268.320 2.230 20 30 CEEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1c(F)cccc1F ZINC000347006177 395116584 /nfs/dbraw/zinc/11/65/84/395116584.db2.gz FTRATQDJWDMNQQ-JTQLQIEISA-N 1 2 293.317 2.178 20 30 CEEDLO COC(=O)c1ccc(F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000181903742 395227545 /nfs/dbraw/zinc/22/75/45/395227545.db2.gz OTJCCCQWHZOUFQ-UHFFFAOYSA-N 1 2 276.311 2.348 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@H](C)C#N ZINC000350946212 395189371 /nfs/dbraw/zinc/18/93/71/395189371.db2.gz BHAZERKXVSKFLA-GFCCVEGCSA-N 1 2 284.363 2.353 20 30 CEEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000186230755 395287156 /nfs/dbraw/zinc/28/71/56/395287156.db2.gz PBVDKDVWSMAJHO-CYBMUJFWSA-N 1 2 294.420 2.122 20 30 CEEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000186230755 395287160 /nfs/dbraw/zinc/28/71/60/395287160.db2.gz PBVDKDVWSMAJHO-CYBMUJFWSA-N 1 2 294.420 2.122 20 30 CEEDLO C[C@@H](CCC#N)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000411338343 395327112 /nfs/dbraw/zinc/32/71/12/395327112.db2.gz WTMFNWMUELXTCX-QWRGUYRKSA-N 1 2 263.307 2.247 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352462290 395256834 /nfs/dbraw/zinc/25/68/34/395256834.db2.gz BVRAAPTZJFQZKN-KGLIPLIRSA-N 1 2 295.402 2.351 20 30 CEEDLO COc1ccc(C#N)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352483828 395258962 /nfs/dbraw/zinc/25/89/62/395258962.db2.gz JVKNEQKYVUUCCF-UHFFFAOYSA-N 1 2 273.311 2.395 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352485537 395259992 /nfs/dbraw/zinc/25/99/92/395259992.db2.gz ZGIQPZGUEXZURM-ZDUSSCGKSA-N 1 2 281.375 2.105 20 30 CEEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1[N+](=O)[O-] ZINC000352484207 395260743 /nfs/dbraw/zinc/26/07/43/395260743.db2.gz MRDUVWVFFOZXCX-UHFFFAOYSA-N 1 2 293.298 2.431 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C#N)cs1 ZINC000191679182 395362126 /nfs/dbraw/zinc/36/21/26/395362126.db2.gz SIQYERPDBWUWBD-BNOWGMLFSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(C#N)cs1 ZINC000191679182 395362131 /nfs/dbraw/zinc/36/21/31/395362131.db2.gz SIQYERPDBWUWBD-BNOWGMLFSA-N 1 2 290.388 2.393 20 30 CEEDLO C[C@H]([NH2+]CCC#N)c1cnn(Cc2ccccc2)c1 ZINC000411535698 395330583 /nfs/dbraw/zinc/33/05/83/395330583.db2.gz GCTTZCQTMNSFQH-ZDUSSCGKSA-N 1 2 254.337 2.496 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000531129141 395457998 /nfs/dbraw/zinc/45/79/98/395457998.db2.gz 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ZINC000565525374 395474472 /nfs/dbraw/zinc/47/44/72/395474472.db2.gz HLBJIMHMCWFQAU-GFCCVEGCSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)cc2)[nH+]1 ZINC000568069717 395546142 /nfs/dbraw/zinc/54/61/42/395546142.db2.gz MUTWMPVOAFAZIC-UHFFFAOYSA-N 1 2 268.320 2.255 20 30 CEEDLO CC1CCC(CC(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000568634765 395563771 /nfs/dbraw/zinc/56/37/71/395563771.db2.gz QFGLMGPSHTUKDI-SSDMNJCBSA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000568996312 395571724 /nfs/dbraw/zinc/57/17/24/395571724.db2.gz DVFPEKJIUPVHNS-GDBMZVCRSA-N 1 2 273.380 2.126 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000568996312 395571725 /nfs/dbraw/zinc/57/17/25/395571725.db2.gz DVFPEKJIUPVHNS-GDBMZVCRSA-N 1 2 273.380 2.126 20 30 CEEDLO C=CCC(C)(C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000572342242 395586002 /nfs/dbraw/zinc/58/60/02/395586002.db2.gz DJHOSWUSKKXVBB-UHFFFAOYSA-N 1 2 256.353 2.478 20 30 CEEDLO N#Cc1cnc(C[N@@H+]2CCC[C@H]2COc2ccccc2)nc1 ZINC000574787807 395637645 /nfs/dbraw/zinc/63/76/45/395637645.db2.gz KRAAFTTWAIVUCX-HNNXBMFYSA-N 1 2 294.358 2.392 20 30 CEEDLO N#Cc1cnc(C[N@H+]2CCC[C@H]2COc2ccccc2)nc1 ZINC000574787807 395637646 /nfs/dbraw/zinc/63/76/46/395637646.db2.gz KRAAFTTWAIVUCX-HNNXBMFYSA-N 1 2 294.358 2.392 20 30 CEEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575049480 395644772 /nfs/dbraw/zinc/64/47/72/395644772.db2.gz CVMSLCBZTPFEQZ-CYBMUJFWSA-N 1 2 275.308 2.077 20 30 CEEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575049480 395644774 /nfs/dbraw/zinc/64/47/74/395644774.db2.gz CVMSLCBZTPFEQZ-CYBMUJFWSA-N 1 2 275.308 2.077 20 30 CEEDLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)ccc1C#N ZINC000459674532 395666568 /nfs/dbraw/zinc/66/65/68/395666568.db2.gz JLRCDHPFGAJUNN-UHFFFAOYSA-N 1 2 299.378 2.272 20 30 CEEDLO Cc1cccn2cc(CNc3ccc(C#N)c(C)n3)[nH+]c12 ZINC000488100297 395667939 /nfs/dbraw/zinc/66/79/39/395667939.db2.gz LQHSBLFEJVXZGP-UHFFFAOYSA-N 1 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290.411 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)nn1 ZINC000653678672 415073816 /nfs/dbraw/zinc/07/38/16/415073816.db2.gz WHEUWVWROSLRRM-GJZGRUSLSA-N 1 2 290.411 2.244 20 30 CEEDLO C=CCN1CC[C@H](N(C)c2[nH+]ccc3c(N)cccc32)C1=O ZINC000663872387 415077313 /nfs/dbraw/zinc/07/73/13/415077313.db2.gz RRHWFIBAUPYSBB-HNNXBMFYSA-N 1 2 296.374 2.040 20 30 CEEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(CCOC)n2)C1 ZINC000661387257 415236944 /nfs/dbraw/zinc/23/69/44/415236944.db2.gz XNKWSVLBPKYDGA-LBPRGKRZSA-N 1 2 265.357 2.047 20 30 CEEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(CCOC)n2)C1 ZINC000661387257 415236949 /nfs/dbraw/zinc/23/69/49/415236949.db2.gz XNKWSVLBPKYDGA-LBPRGKRZSA-N 1 2 265.357 2.047 20 30 CEEDLO C=CC[N@H+](Cc1nnnn1CC(F)(F)F)C(C)(C)C ZINC000661760754 415448962 /nfs/dbraw/zinc/44/89/62/415448962.db2.gz ZHKWAVIQKNVSTN-UHFFFAOYSA-N 1 2 277.294 2.022 20 30 CEEDLO C=CC[N@@H+](Cc1nnnn1CC(F)(F)F)C(C)(C)C ZINC000661760754 415448967 /nfs/dbraw/zinc/44/89/67/415448967.db2.gz 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C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000299167027 263232765 /nfs/dbraw/zinc/23/27/65/263232765.db2.gz PFTRQKGFHRHULJ-KFWWJZLASA-N 1 2 287.407 2.386 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000299167027 263232766 /nfs/dbraw/zinc/23/27/66/263232766.db2.gz PFTRQKGFHRHULJ-KFWWJZLASA-N 1 2 287.407 2.386 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C2CCC(NC(C)=O)CC2)c1 ZINC000299686982 263252355 /nfs/dbraw/zinc/25/23/55/263252355.db2.gz XPEVXNOSFDUAQC-LICLKQGHSA-N 1 2 290.363 2.267 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000341992108 263382125 /nfs/dbraw/zinc/38/21/25/263382125.db2.gz OMIJXLUSHCPSEE-UHFFFAOYSA-N 1 2 298.390 2.325 20 30 CEEDLO CC(C)[C@@H](C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000330715631 264022568 /nfs/dbraw/zinc/02/25/68/264022568.db2.gz YHDWKFCWNVCPDP-NSHDSACASA-N 1 2 252.362 2.058 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000331320191 264188834 /nfs/dbraw/zinc/18/88/34/264188834.db2.gz DWGBNELOYKIGKP-GWCFXTLKSA-N 1 2 261.300 2.046 20 30 CEEDLO CCc1ncsc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331325861 264190768 /nfs/dbraw/zinc/19/07/68/264190768.db2.gz GFQNNWKPVJQHRP-UHFFFAOYSA-N 1 2 297.424 2.121 20 30 CEEDLO CC[C@H](NC(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@H](C)O ZINC000331355244 264207794 /nfs/dbraw/zinc/20/77/94/264207794.db2.gz QKMXISUZKHMONF-CABZTGNLSA-N 1 2 275.352 2.346 20 30 CEEDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000425370281 264214407 /nfs/dbraw/zinc/21/44/07/264214407.db2.gz CTTGKESMMYHXNE-UHFFFAOYSA-N 1 2 299.330 2.358 20 30 CEEDLO CCC1(CNc2cc(C)[nH+]cc2C#N)CCOCC1 ZINC000399427129 266013197 /nfs/dbraw/zinc/01/31/97/266013197.db2.gz HIPGDXUAXVXHGJ-UHFFFAOYSA-N 1 2 259.353 2.302 20 30 CEEDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C#N)ccc1F ZINC000195518819 266138557 /nfs/dbraw/zinc/13/85/57/266138557.db2.gz MGNZGCJRMXUNRF-UHFFFAOYSA-N 1 2 272.327 2.453 20 30 CEEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C#N)ccc1F ZINC000195518819 266138562 /nfs/dbraw/zinc/13/85/62/266138562.db2.gz MGNZGCJRMXUNRF-UHFFFAOYSA-N 1 2 272.327 2.453 20 30 CEEDLO C=C[C@H](CO)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356852641 266191204 /nfs/dbraw/zinc/19/12/04/266191204.db2.gz XFPKRJSYSFKKBV-CYBMUJFWSA-N 1 2 284.315 2.151 20 30 CEEDLO C=CCCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000356900972 266208878 /nfs/dbraw/zinc/20/88/78/266208878.db2.gz HHIUYHCRZXSCFS-LBPRGKRZSA-N 1 2 259.353 2.061 20 30 CEEDLO C=CCN(CCOC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000357165512 266258718 /nfs/dbraw/zinc/25/87/18/266258718.db2.gz PHVHCFHAVVZRPG-UHFFFAOYSA-N 1 2 299.374 2.206 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1C ZINC000357566791 266325994 /nfs/dbraw/zinc/32/59/94/266325994.db2.gz HAKAHEHRLAWERR-WBMJQRKESA-N 1 2 290.407 2.176 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1C ZINC000357566791 266326000 /nfs/dbraw/zinc/32/60/00/266326000.db2.gz HAKAHEHRLAWERR-WBMJQRKESA-N 1 2 290.407 2.176 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)c1C ZINC000357566790 266326923 /nfs/dbraw/zinc/32/69/23/266326923.db2.gz HAKAHEHRLAWERR-LRDDRELGSA-N 1 2 290.407 2.176 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c1C ZINC000357566790 266326924 /nfs/dbraw/zinc/32/69/24/266326924.db2.gz HAKAHEHRLAWERR-LRDDRELGSA-N 1 2 290.407 2.176 20 30 CEEDLO C=C(CC)C[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000357795622 266365017 /nfs/dbraw/zinc/36/50/17/266365017.db2.gz PFGXNQQYRPTJGT-CYBMUJFWSA-N 1 2 298.427 2.121 20 30 CEEDLO C=C(CC)C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000357795622 266365020 /nfs/dbraw/zinc/36/50/20/266365020.db2.gz PFGXNQQYRPTJGT-CYBMUJFWSA-N 1 2 298.427 2.121 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@H](C)Cc1ccccc1C)C(=O)OC ZINC000361109443 266785193 /nfs/dbraw/zinc/78/51/93/266785193.db2.gz MUNYVBPFOSBVQX-GDBMZVCRSA-N 1 2 291.391 2.260 20 30 CEEDLO CCCCC[N@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459335677 267001403 /nfs/dbraw/zinc/00/14/03/267001403.db2.gz BXHGSDMBCVOODA-UHFFFAOYSA-N 1 2 291.351 2.451 20 30 CEEDLO CCCCC[N@@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459335677 267001409 /nfs/dbraw/zinc/00/14/09/267001409.db2.gz BXHGSDMBCVOODA-UHFFFAOYSA-N 1 2 291.351 2.451 20 30 CEEDLO Cn1nncc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000367467539 267092109 /nfs/dbraw/zinc/09/21/09/267092109.db2.gz QORYIAKAKJBQPW-CVEARBPZSA-N 1 2 281.363 2.087 20 30 CEEDLO Cn1nncc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000367467539 267092110 /nfs/dbraw/zinc/09/21/10/267092110.db2.gz QORYIAKAKJBQPW-CVEARBPZSA-N 1 2 281.363 2.087 20 30 CEEDLO CCOC[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000459673693 267139509 /nfs/dbraw/zinc/13/95/09/267139509.db2.gz JQTUDNZLJFIDKW-GFCCVEGCSA-N 1 2 265.382 2.406 20 30 CEEDLO CCOC[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000459673693 267139510 /nfs/dbraw/zinc/13/95/10/267139510.db2.gz JQTUDNZLJFIDKW-GFCCVEGCSA-N 1 2 265.382 2.406 20 30 CEEDLO C=CCCCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369481194 267244897 /nfs/dbraw/zinc/24/48/97/267244897.db2.gz XCTFTXOSHPYUNJ-UHFFFAOYSA-N 1 2 299.378 2.375 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C#N)ccc1OC ZINC000492445816 267255478 /nfs/dbraw/zinc/25/54/78/267255478.db2.gz IFXOOLJVJIZADO-VOTSOKGWSA-N 1 2 296.330 2.435 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450828434 267259603 /nfs/dbraw/zinc/25/96/03/267259603.db2.gz KJXLPPDFBJQBBO-VIFPVBQESA-N 1 2 286.295 2.251 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000369804398 267268249 /nfs/dbraw/zinc/26/82/49/267268249.db2.gz UECQBCMUWXSMOB-HOTGVXAUSA-N 1 2 283.375 2.037 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000369804398 267268251 /nfs/dbraw/zinc/26/82/51/267268251.db2.gz UECQBCMUWXSMOB-HOTGVXAUSA-N 1 2 283.375 2.037 20 30 CEEDLO COc1cc2c(cc1C[NH2+]CC1(C#N)CCC1)OCO2 ZINC000418140120 267362395 /nfs/dbraw/zinc/36/23/95/267362395.db2.gz IOCKFVANSYPYBO-UHFFFAOYSA-N 1 2 274.320 2.207 20 30 CEEDLO N#C[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCN1C1CC1 ZINC000371325397 267390804 /nfs/dbraw/zinc/39/08/04/267390804.db2.gz DNUCQKWCHJANJX-HNNXBMFYSA-N 1 2 280.375 2.340 20 30 CEEDLO N#C[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCN1C1CC1 ZINC000371325397 267390808 /nfs/dbraw/zinc/39/08/08/267390808.db2.gz DNUCQKWCHJANJX-HNNXBMFYSA-N 1 2 280.375 2.340 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425105137 268081371 /nfs/dbraw/zinc/08/13/71/268081371.db2.gz DBTVTPZQSZKJIN-GFCCVEGCSA-N 1 2 282.347 2.352 20 30 CEEDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425537648 268097911 /nfs/dbraw/zinc/09/79/11/268097911.db2.gz QNMZEOAQWBVVLF-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425537648 268097913 /nfs/dbraw/zinc/09/79/13/268097913.db2.gz QNMZEOAQWBVVLF-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO N#Cc1ccc(C2([NH2+]Cc3ccn[nH]3)CCOCC2)cc1 ZINC000527809876 268212122 /nfs/dbraw/zinc/21/21/22/268212122.db2.gz HBPKQQGAVKVPJS-UHFFFAOYSA-N 1 2 282.347 2.077 20 30 CEEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000515925244 268246139 /nfs/dbraw/zinc/24/61/39/268246139.db2.gz PYYLUHMSWIVZGY-GFCCVEGCSA-N 1 2 299.309 2.030 20 30 CEEDLO N#Cc1cccc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000530674514 268272276 /nfs/dbraw/zinc/27/22/76/268272276.db2.gz BJSIYHVDWXKUFS-HNNXBMFYSA-N 1 2 294.358 2.230 20 30 CEEDLO COCCOc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425205458 271139205 /nfs/dbraw/zinc/13/92/05/271139205.db2.gz JHGLCJNRGTTYNG-UHFFFAOYSA-N 1 2 297.358 2.321 20 30 CEEDLO Cc1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)c(C#N)c[nH+]1 ZINC000425221232 271140028 /nfs/dbraw/zinc/14/00/28/271140028.db2.gz DQBDTGAIQOMRDJ-AWEZNQCLSA-N 1 2 298.390 2.101 20 30 CEEDLO Cc1cc(N2CC[C@@H](COC(F)F)C2)c(C#N)c[nH+]1 ZINC000425250320 271146689 /nfs/dbraw/zinc/14/66/89/271146689.db2.gz FRMYWFXVMOZNMD-SNVBAGLBSA-N 1 2 267.279 2.327 20 30 CEEDLO CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329174094 278092758 /nfs/dbraw/zinc/09/27/58/278092758.db2.gz LVMKVGVCVIZRTI-SNVBAGLBSA-N 1 2 287.367 2.129 20 30 CEEDLO CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329174094 278092761 /nfs/dbraw/zinc/09/27/61/278092761.db2.gz LVMKVGVCVIZRTI-SNVBAGLBSA-N 1 2 287.367 2.129 20 30 CEEDLO CC(C)n1cc[nH+]c1CN1CCC(F)(C#N)CC1 ZINC000352464144 278134589 /nfs/dbraw/zinc/13/45/89/278134589.db2.gz PLDDNOCQMDCEAZ-UHFFFAOYSA-N 1 2 250.321 2.292 20 30 CEEDLO CCCNC(=O)C[N@H+](CCC)Cc1cc(F)ccc1C#N ZINC000158554474 289236283 /nfs/dbraw/zinc/23/62/83/289236283.db2.gz ZCMAVEDCTXMSQL-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1cc(F)ccc1C#N ZINC000158554474 289236288 /nfs/dbraw/zinc/23/62/88/289236288.db2.gz ZCMAVEDCTXMSQL-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000026456447 294781565 /nfs/dbraw/zinc/78/15/65/294781565.db2.gz JRNRPXKBNDWSKQ-UHFFFAOYSA-N 1 2 297.402 2.415 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](C2CC2)C1 ZINC000329622698 295384206 /nfs/dbraw/zinc/38/42/06/295384206.db2.gz RXBFPKUDYDEHAG-CHWSQXEVSA-N 1 2 288.395 2.303 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](C2CC2)C1 ZINC000329622698 295384208 /nfs/dbraw/zinc/38/42/08/295384208.db2.gz RXBFPKUDYDEHAG-CHWSQXEVSA-N 1 2 288.395 2.303 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000565940478 298933113 /nfs/dbraw/zinc/93/31/13/298933113.db2.gz ZGROEDBOYHFAPU-MRXNPFEDSA-N 1 2 294.358 2.028 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1F ZINC000335744493 303203799 /nfs/dbraw/zinc/20/37/99/303203799.db2.gz MYHPCUKKFHPOJU-CQSZACIVSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2C2CC2)c1F ZINC000335744493 303203801 /nfs/dbraw/zinc/20/38/01/303203801.db2.gz MYHPCUKKFHPOJU-CQSZACIVSA-N 1 2 260.312 2.308 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000178790939 312736719 /nfs/dbraw/zinc/73/67/19/312736719.db2.gz ZPCQGXNEKDMXPL-UHFFFAOYSA-N 1 2 288.278 2.367 20 30 CEEDLO CC[C@H]1C[NH+](Cc2ccc(C#N)cn2)C[C@H](CC)O1 ZINC000573015937 314136408 /nfs/dbraw/zinc/13/64/08/314136408.db2.gz CGIZJZGSQPIVAT-GJZGRUSLSA-N 1 2 259.353 2.343 20 30 CEEDLO N#CCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000411758156 328098826 /nfs/dbraw/zinc/09/88/26/328098826.db2.gz NEGGRXTULDBFNA-LLVKDONJSA-N 1 2 287.132 2.125 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411765929 328099187 /nfs/dbraw/zinc/09/91/87/328099187.db2.gz APUFLGKGWBMUEC-LSDHHAIUSA-N 1 2 262.397 2.123 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411765929 328099188 /nfs/dbraw/zinc/09/91/88/328099188.db2.gz APUFLGKGWBMUEC-LSDHHAIUSA-N 1 2 262.397 2.123 20 30 CEEDLO CC(C)(CC#N)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000413402593 328144453 /nfs/dbraw/zinc/14/44/53/328144453.db2.gz GHKBIZUSRCHCMP-UHFFFAOYSA-N 1 2 259.357 2.429 20 30 CEEDLO CC(C)(CC#N)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000413402593 328144455 /nfs/dbraw/zinc/14/44/55/328144455.db2.gz GHKBIZUSRCHCMP-UHFFFAOYSA-N 1 2 259.357 2.429 20 30 CEEDLO CC(C)(CC#N)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000413414645 328145981 /nfs/dbraw/zinc/14/59/81/328145981.db2.gz VIGNIZYAFGGZPU-UHFFFAOYSA-N 1 2 259.357 2.072 20 30 CEEDLO CC(C)(CC#N)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000413414645 328145982 /nfs/dbraw/zinc/14/59/82/328145982.db2.gz VIGNIZYAFGGZPU-UHFFFAOYSA-N 1 2 259.357 2.072 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)c1cccc(Br)c1 ZINC000267609968 328179694 /nfs/dbraw/zinc/17/96/94/328179694.db2.gz NPOMCNDJKULSLD-LBPRGKRZSA-N 1 2 283.169 2.328 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)c1cccc(Br)c1 ZINC000267609968 328179696 /nfs/dbraw/zinc/17/96/96/328179696.db2.gz NPOMCNDJKULSLD-LBPRGKRZSA-N 1 2 283.169 2.328 20 30 CEEDLO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000278618723 328228380 /nfs/dbraw/zinc/22/83/80/328228380.db2.gz GEWREQDFUDMSGD-MBNYWOFBSA-N 1 2 290.388 2.187 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285514452 328248146 /nfs/dbraw/zinc/24/81/46/328248146.db2.gz QJBIPTMJMZVUJB-INIZCTEOSA-N 1 2 286.379 2.238 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(F)c1 ZINC000557590454 327014802 /nfs/dbraw/zinc/01/48/02/327014802.db2.gz VJGLEFPBDHUTTF-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO C=CC[N@@H+](Cc1nc([C@H](C)OCC)no1)C1CC1 ZINC000357549991 327018561 /nfs/dbraw/zinc/01/85/61/327018561.db2.gz GGJQRAPVAOGDFS-JTQLQIEISA-N 1 2 251.330 2.318 20 30 CEEDLO C=CC[N@H+](Cc1nc([C@H](C)OCC)no1)C1CC1 ZINC000357549991 327018562 /nfs/dbraw/zinc/01/85/62/327018562.db2.gz GGJQRAPVAOGDFS-JTQLQIEISA-N 1 2 251.330 2.318 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(Cl)s1 ZINC000564870508 327043911 /nfs/dbraw/zinc/04/39/11/327043911.db2.gz CLFOGZZSWHWKFT-ZDUSSCGKSA-N 1 2 299.827 2.294 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCCCC1(C)C)C(=O)OC ZINC000558800752 327120970 /nfs/dbraw/zinc/12/09/70/327120970.db2.gz MZXKIHXWPQNJKS-STQMWFEESA-N 1 2 269.385 2.289 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569579716 327201040 /nfs/dbraw/zinc/20/10/40/327201040.db2.gz UWTIDWJTAAVEMX-CHWSQXEVSA-N 1 2 261.369 2.307 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000560434295 327307533 /nfs/dbraw/zinc/30/75/33/327307533.db2.gz KAQOTRWDUWYGJL-NEPJUHHUSA-N 1 2 261.325 2.163 20 30 CEEDLO Cc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000570108556 327569839 /nfs/dbraw/zinc/56/98/39/327569839.db2.gz DCJQVVRKVOQZTA-KRWDZBQOSA-N 1 2 287.407 2.196 20 30 CEEDLO C#C[C@H](CC)[NH2+]Cc1ncc(Br)s1 ZINC000379378660 328803875 /nfs/dbraw/zinc/80/38/75/328803875.db2.gz ANQGYPWHSKKZCZ-SSDOTTSWSA-N 1 2 259.172 2.407 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)cc1 ZINC000377657626 329023340 /nfs/dbraw/zinc/02/33/40/329023340.db2.gz IBPQGBSTSPNXIQ-GOSISDBHSA-N 1 2 290.366 2.253 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)cc1 ZINC000377657626 329023342 /nfs/dbraw/zinc/02/33/42/329023342.db2.gz IBPQGBSTSPNXIQ-GOSISDBHSA-N 1 2 290.366 2.253 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377717159 329026766 /nfs/dbraw/zinc/02/67/66/329026766.db2.gz DMOSPJACTRCNMS-RBSFLKMASA-N 1 2 273.380 2.463 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377717159 329026768 /nfs/dbraw/zinc/02/67/68/329026768.db2.gz DMOSPJACTRCNMS-RBSFLKMASA-N 1 2 273.380 2.463 20 30 CEEDLO Cc1nc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000360036747 329070353 /nfs/dbraw/zinc/07/03/53/329070353.db2.gz OUNXREKAPYZTPJ-STQMWFEESA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1nc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000360036747 329070354 /nfs/dbraw/zinc/07/03/54/329070354.db2.gz OUNXREKAPYZTPJ-STQMWFEESA-N 1 2 273.340 2.001 20 30 CEEDLO C=C(C)CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000183311930 329249219 /nfs/dbraw/zinc/24/92/19/329249219.db2.gz IKLUXMFYJYHYQK-UHFFFAOYSA-N 1 2 258.325 2.052 20 30 CEEDLO C=CC[C@@H](C)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186506316 329344489 /nfs/dbraw/zinc/34/44/89/329344489.db2.gz FESKLSOIFWXEAX-CQSZACIVSA-N 1 2 288.395 2.268 20 30 CEEDLO Cc1cc(C(F)(F)F)ccc1C[NH+]1CC(O)(CC#N)C1 ZINC000191916010 329422307 /nfs/dbraw/zinc/42/23/07/329422307.db2.gz QPWZQTMKSBXDNV-UHFFFAOYSA-N 1 2 284.281 2.474 20 30 CEEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000133134479 329651040 /nfs/dbraw/zinc/65/10/40/329651040.db2.gz JACBXYSFWHOLNT-ZIAGYGMSSA-N 1 2 286.379 2.034 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000425277397 329652802 /nfs/dbraw/zinc/65/28/02/329652802.db2.gz FLKGQLHGBMMTCN-STQMWFEESA-N 1 2 259.353 2.087 20 30 CEEDLO C=C(C)CC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000419228755 329712664 /nfs/dbraw/zinc/71/26/64/329712664.db2.gz VOVRQNUTOJBENA-AWEZNQCLSA-N 1 2 265.328 2.466 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000419247391 329714237 /nfs/dbraw/zinc/71/42/37/329714237.db2.gz PMPDMPYALFMHJT-OAGGEKHMSA-N 1 2 289.375 2.094 20 30 CEEDLO Cc1cc(CNS(=O)(=O)CC(C)(C)CC#N)cc(C)[nH+]1 ZINC000420704418 329782056 /nfs/dbraw/zinc/78/20/56/329782056.db2.gz WLCWMNXZTDFUIV-UHFFFAOYSA-N 1 2 295.408 2.058 20 30 CEEDLO Cc1ccc(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000574992552 330127393 /nfs/dbraw/zinc/12/73/93/330127393.db2.gz ORZJJHFXJAXVCT-HNNXBMFYSA-N 1 2 293.436 2.339 20 30 CEEDLO C=CC[C@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423221549 330179613 /nfs/dbraw/zinc/17/96/13/330179613.db2.gz ZSUVBRXNSNVJNP-QPUJVOFHSA-N 1 2 254.280 2.045 20 30 CEEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424127482 330259255 /nfs/dbraw/zinc/25/92/55/330259255.db2.gz PXPZBFNLCZKIFG-YNEHKIRRSA-N 1 2 252.358 2.246 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnccc2C)nn1 ZINC000424290360 330333220 /nfs/dbraw/zinc/33/32/20/330333220.db2.gz BMOYMKCEXSSDQX-GFCCVEGCSA-N 1 2 257.341 2.018 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC#N ZINC000120114078 330384574 /nfs/dbraw/zinc/38/45/74/330384574.db2.gz LGSQCFAWDMSRHK-NEPJUHHUSA-N 1 2 267.373 2.183 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000448592899 330709676 /nfs/dbraw/zinc/70/96/76/330709676.db2.gz UFEGNMHANKNEMT-CXAGYDPISA-N 1 2 299.374 2.007 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ncn(C)n1 ZINC000444713112 330821320 /nfs/dbraw/zinc/82/13/20/330821320.db2.gz FLAHRPSHBSXOSM-GFCCVEGCSA-N 1 2 283.379 2.467 20 30 CEEDLO CS(=O)(=O)C[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450676919 330992902 /nfs/dbraw/zinc/99/29/02/330992902.db2.gz GAJCBQBHAKZHAD-AWEZNQCLSA-N 1 2 292.404 2.056 20 30 CEEDLO C=C(CC)CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000450915951 331007139 /nfs/dbraw/zinc/00/71/39/331007139.db2.gz UGJLIGYBWPIWFR-CYBMUJFWSA-N 1 2 276.384 2.206 20 30 CEEDLO C=C(CC)CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000450915951 331007140 /nfs/dbraw/zinc/00/71/40/331007140.db2.gz UGJLIGYBWPIWFR-CYBMUJFWSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335120 331062741 /nfs/dbraw/zinc/06/27/41/331062741.db2.gz PFOFTHGPAWBYDS-NSHDSACASA-N 1 2 263.341 2.139 20 30 CEEDLO C=C(CC)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000454255283 331142965 /nfs/dbraw/zinc/14/29/65/331142965.db2.gz NIFIQKBCUQVXCW-UHFFFAOYSA-N 1 2 276.384 2.027 20 30 CEEDLO C=C(CC)CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000455520481 331171647 /nfs/dbraw/zinc/17/16/47/331171647.db2.gz JKDARKLTIWBITG-AWEZNQCLSA-N 1 2 275.352 2.211 20 30 CEEDLO C=C(CC)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000455520131 331171654 /nfs/dbraw/zinc/17/16/54/331171654.db2.gz IOEBKPILALKZEZ-UHFFFAOYSA-N 1 2 258.325 2.100 20 30 CEEDLO C=CCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455866926 331179181 /nfs/dbraw/zinc/17/91/81/331179181.db2.gz NZKCQSCRTZMOOH-UHFFFAOYSA-N 1 2 299.172 2.218 20 30 CEEDLO C=CCn1cccc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457319398 331218934 /nfs/dbraw/zinc/21/89/34/331218934.db2.gz WGKYGPVIIRCTKF-UHFFFAOYSA-N 1 2 290.392 2.445 20 30 CEEDLO C=CCN(C(=O)N[C@H](C)c1[nH+]ccn1CC)C1CC1 ZINC000459053776 331268621 /nfs/dbraw/zinc/26/86/21/331268621.db2.gz HMJADFZFUNWVBS-LLVKDONJSA-N 1 2 262.357 2.324 20 30 CEEDLO COc1c(C)cnc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1C ZINC000459472440 331283462 /nfs/dbraw/zinc/28/34/62/331283462.db2.gz WXLNKGBLUIYJGC-QWHCGFSZSA-N 1 2 259.353 2.489 20 30 CEEDLO COc1c(C)c[nH+]c(CN[C@@H]2CCC[C@H]2C#N)c1C ZINC000459472440 331283463 /nfs/dbraw/zinc/28/34/63/331283463.db2.gz WXLNKGBLUIYJGC-QWHCGFSZSA-N 1 2 259.353 2.489 20 30 CEEDLO C#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000490632356 332098034 /nfs/dbraw/zinc/09/80/34/332098034.db2.gz ZSGYVXZIECYXNP-HNNXBMFYSA-N 1 2 267.332 2.260 20 30 CEEDLO C#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000490632358 332098061 /nfs/dbraw/zinc/09/80/61/332098061.db2.gz ZSGYVXZIECYXNP-OAHLLOKOSA-N 1 2 267.332 2.260 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000490759907 332112960 /nfs/dbraw/zinc/11/29/60/332112960.db2.gz HRUFCELFKUAJSW-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000490759907 332112961 /nfs/dbraw/zinc/11/29/61/332112961.db2.gz HRUFCELFKUAJSW-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO C#CC[N@@H+](CC)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000490760728 332113334 /nfs/dbraw/zinc/11/33/34/332113334.db2.gz OSRZYTDHGUVUBF-UHFFFAOYSA-N 1 2 257.312 2.467 20 30 CEEDLO C#CC[N@H+](CC)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000490760728 332113335 /nfs/dbraw/zinc/11/33/35/332113335.db2.gz OSRZYTDHGUVUBF-UHFFFAOYSA-N 1 2 257.312 2.467 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000491362375 332197232 /nfs/dbraw/zinc/19/72/32/332197232.db2.gz RTEGLSWJQSIADS-SECBINFHSA-N 1 2 282.185 2.434 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000491362375 332197233 /nfs/dbraw/zinc/19/72/33/332197233.db2.gz RTEGLSWJQSIADS-SECBINFHSA-N 1 2 282.185 2.434 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccccn2)n1 ZINC000491513548 332226383 /nfs/dbraw/zinc/22/63/83/332226383.db2.gz CTTKDVRHTOJYFK-OAHLLOKOSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccccn2)n1 ZINC000491513548 332226385 /nfs/dbraw/zinc/22/63/85/332226385.db2.gz CTTKDVRHTOJYFK-OAHLLOKOSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CCN(C(=O)C1CC[NH+](CC(F)F)CC1)C1CCCC1 ZINC000491525026 332229754 /nfs/dbraw/zinc/22/97/54/332229754.db2.gz PUVZTZPQIHCGDM-UHFFFAOYSA-N 1 2 298.377 2.368 20 30 CEEDLO C#CCN(C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C1CCCC1 ZINC000491547070 332235833 /nfs/dbraw/zinc/23/58/33/332235833.db2.gz YKDPCIKYGKNHPW-OCCSQVGLSA-N 1 2 286.379 2.476 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491553452 332236108 /nfs/dbraw/zinc/23/61/08/332236108.db2.gz AAOKJFFTICMTFA-ZDUSSCGKSA-N 1 2 269.348 2.103 20 30 CEEDLO C#C[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC000491644118 332262535 /nfs/dbraw/zinc/26/25/35/332262535.db2.gz ITJOTRWLLSEDCH-AWEZNQCLSA-N 1 2 259.353 2.155 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cc(C)nn1C)c1ccc(F)cc1 ZINC000491701098 332295481 /nfs/dbraw/zinc/29/54/81/332295481.db2.gz ULBFZJXCSXOZCZ-HNNXBMFYSA-N 1 2 257.312 2.332 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](Cc2cccc(F)c2)OC1=O ZINC000491738332 332317886 /nfs/dbraw/zinc/31/78/86/332317886.db2.gz CGIYTCPFPZWTHX-IUODEOHRSA-N 1 2 290.338 2.100 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](Cc2cccc(F)c2)OC1=O ZINC000491738332 332317887 /nfs/dbraw/zinc/31/78/87/332317887.db2.gz CGIYTCPFPZWTHX-IUODEOHRSA-N 1 2 290.338 2.100 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000491742779 332321202 /nfs/dbraw/zinc/32/12/02/332321202.db2.gz LWVDIAUBSYLYRP-QWHCGFSZSA-N 1 2 250.386 2.182 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000491742779 332321204 /nfs/dbraw/zinc/32/12/04/332321204.db2.gz LWVDIAUBSYLYRP-QWHCGFSZSA-N 1 2 250.386 2.182 20 30 CEEDLO C#CC[N@@H+](CC(=O)N1CCCc2cc(OC)ccc21)C1CC1 ZINC000491751286 332327420 /nfs/dbraw/zinc/32/74/20/332327420.db2.gz KGXJBTIBLADZGD-UHFFFAOYSA-N 1 2 298.386 2.072 20 30 CEEDLO C#CC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)C1CC1 ZINC000491751286 332327421 /nfs/dbraw/zinc/32/74/21/332327421.db2.gz KGXJBTIBLADZGD-UHFFFAOYSA-N 1 2 298.386 2.072 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000491758659 332330784 /nfs/dbraw/zinc/33/07/84/332330784.db2.gz IWZNDFNSWWOXFH-SNVBAGLBSA-N 1 2 258.350 2.054 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000491758659 332330785 /nfs/dbraw/zinc/33/07/85/332330785.db2.gz IWZNDFNSWWOXFH-SNVBAGLBSA-N 1 2 258.350 2.054 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491770307 332337260 /nfs/dbraw/zinc/33/72/60/332337260.db2.gz MAWUTIBKGCTVSQ-ZFWWWQNUSA-N 1 2 281.359 2.412 20 30 CEEDLO C#C[C@H]([NH2+]CN1CCC(=O)CC1)c1ccc(Cl)cc1 ZINC000491773227 332339438 /nfs/dbraw/zinc/33/94/38/332339438.db2.gz VGRAZNLCTCJCKO-HNNXBMFYSA-N 1 2 276.767 2.226 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000491775350 332341178 /nfs/dbraw/zinc/34/11/78/332341178.db2.gz FBPMOGMRNRVUNN-INIZCTEOSA-N 1 2 296.374 2.142 20 30 CEEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1cc2ccccc2o1 ZINC000491806952 332360145 /nfs/dbraw/zinc/36/01/45/332360145.db2.gz RMQXRWSTCSNFBW-OAHLLOKOSA-N 1 2 267.328 2.425 20 30 CEEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1cc2ccccc2o1 ZINC000491806952 332360146 /nfs/dbraw/zinc/36/01/46/332360146.db2.gz RMQXRWSTCSNFBW-OAHLLOKOSA-N 1 2 267.328 2.425 20 30 CEEDLO N#CCCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000492542895 332402465 /nfs/dbraw/zinc/40/24/65/332402465.db2.gz VRZSQCPEGIZMLP-VMPITWQZSA-N 1 2 280.331 2.305 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493061013 332424808 /nfs/dbraw/zinc/42/48/08/332424808.db2.gz NUPRKAIGLCHMKE-NHXPHFSRSA-N 1 2 289.379 2.014 20 30 CEEDLO CC(C)COC(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000497018312 332567563 /nfs/dbraw/zinc/56/75/63/332567563.db2.gz HPJXWIYDPZRDSR-CYBMUJFWSA-N 1 2 267.373 2.089 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000516694493 333080874 /nfs/dbraw/zinc/08/08/74/333080874.db2.gz DFVMZRMYIFCMRS-SNVBAGLBSA-N 1 2 273.365 2.382 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000192234768 333233380 /nfs/dbraw/zinc/23/33/80/333233380.db2.gz GUOVKWJXBISFGG-ZDUSSCGKSA-N 1 2 288.416 2.469 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000192234768 333233381 /nfs/dbraw/zinc/23/33/81/333233381.db2.gz GUOVKWJXBISFGG-ZDUSSCGKSA-N 1 2 288.416 2.469 20 30 CEEDLO Cn1c(C[NH+]2CCC(CC#N)CC2)nnc1C1CCC1 ZINC000542125205 333810850 /nfs/dbraw/zinc/81/08/50/333810850.db2.gz LFYJEMDBEWTOTI-UHFFFAOYSA-N 1 2 273.384 2.208 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000077185199 334097918 /nfs/dbraw/zinc/09/79/18/334097918.db2.gz LTGDSLNZRMGIHC-LBPRGKRZSA-N 1 2 293.436 2.472 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000077185199 334097919 /nfs/dbraw/zinc/09/79/19/334097919.db2.gz LTGDSLNZRMGIHC-LBPRGKRZSA-N 1 2 293.436 2.472 20 30 CEEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1c(F)cncc1F ZINC000552024534 334278050 /nfs/dbraw/zinc/27/80/50/334278050.db2.gz MZBAEFSHVCXMEH-UWVGGRQHSA-N 1 2 264.279 2.454 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000247231531 334277983 /nfs/dbraw/zinc/27/79/83/334277983.db2.gz ZHENSKGFMBYROU-CHWSQXEVSA-N 1 2 277.368 2.094 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000247231531 334277984 /nfs/dbraw/zinc/27/79/84/334277984.db2.gz ZHENSKGFMBYROU-CHWSQXEVSA-N 1 2 277.368 2.094 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000565105927 334538929 /nfs/dbraw/zinc/53/89/29/334538929.db2.gz CBIXOYLVGABQTL-LLVKDONJSA-N 1 2 265.357 2.051 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000566428794 334648340 /nfs/dbraw/zinc/64/83/40/334648340.db2.gz KMZKVHHUOKNOBU-JTQLQIEISA-N 1 2 267.279 2.185 20 30 CEEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000567995584 334782583 /nfs/dbraw/zinc/78/25/83/334782583.db2.gz PDSKWOFYPXAZDN-AWEZNQCLSA-N 1 2 279.771 2.222 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000568462974 334826014 /nfs/dbraw/zinc/82/60/14/334826014.db2.gz ZMSMNEWZBGQNBC-NVXWUHKLSA-N 1 2 285.391 2.067 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000568713577 334837595 /nfs/dbraw/zinc/83/75/95/334837595.db2.gz ZRNBNHQQUDPIPP-CXOJTPOUSA-N 1 2 285.347 2.001 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCC1CCCC1 ZINC000568870408 334844149 /nfs/dbraw/zinc/84/41/49/334844149.db2.gz NRMNEVIUFGJXEK-HNNXBMFYSA-N 1 2 265.401 2.307 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccccc1OC ZINC000573104883 334908630 /nfs/dbraw/zinc/90/86/30/334908630.db2.gz GZVLCWXHADPSSW-OLZOCXBDSA-N 1 2 289.379 2.154 20 30 CEEDLO C=CC[C@H](CO)NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000576523949 335214901 /nfs/dbraw/zinc/21/49/01/335214901.db2.gz MJSRUPZELZYTRZ-CYBMUJFWSA-N 1 2 273.380 2.484 20 30 CEEDLO CCc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1C ZINC000576631554 335228037 /nfs/dbraw/zinc/22/80/37/335228037.db2.gz UXSWPQGLVVHXCA-INIZCTEOSA-N 1 2 275.396 2.176 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2OC)C1=O ZINC000576764650 335245276 /nfs/dbraw/zinc/24/52/76/335245276.db2.gz ACPDCHJNLRFCGD-CHWSQXEVSA-N 1 2 287.363 2.082 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2c1CCCC2 ZINC000576878835 335259384 /nfs/dbraw/zinc/25/93/84/335259384.db2.gz HFIADSHLOAFHME-QGZVFWFLSA-N 1 2 285.391 2.139 20 30 CEEDLO N#C[C@@H]1CC[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000577931753 335422709 /nfs/dbraw/zinc/42/27/09/335422709.db2.gz QANCUFJPNWYNTH-CHWSQXEVSA-N 1 2 272.352 2.022 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)c1sccc1C#N ZINC000052035105 522373049 /nfs/dbraw/zinc/37/30/49/522373049.db2.gz QWMKYUCRIYSUEK-UHFFFAOYSA-N 1 2 286.360 2.011 20 30 CEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000347507872 534643825 /nfs/dbraw/zinc/64/38/25/534643825.db2.gz UCHAMANVHYWAAI-INIZCTEOSA-N 1 2 296.374 2.089 20 30 CEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000347507872 534643831 /nfs/dbraw/zinc/64/38/31/534643831.db2.gz UCHAMANVHYWAAI-INIZCTEOSA-N 1 2 296.374 2.089 20 30 CEEDLO Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)c1 ZINC000336233559 534706601 /nfs/dbraw/zinc/70/66/01/534706601.db2.gz DJLSBMXSIRYVMX-QAPCUYQASA-N 1 2 297.402 2.189 20 30 CEEDLO C=CCOCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352774012 526686361 /nfs/dbraw/zinc/68/63/61/526686361.db2.gz UOZSKGPBMGQFHH-HNNXBMFYSA-N 1 2 285.347 2.160 20 30 CEEDLO C=CC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345016044 527026663 /nfs/dbraw/zinc/02/66/63/527026663.db2.gz SMSRDECIBVEOAW-ZYHUDNBSSA-N 1 2 262.357 2.135 20 30 CEEDLO CC1(C)C[S@@](=O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336627873 527772180 /nfs/dbraw/zinc/77/21/80/527772180.db2.gz GPPFXJKVBMMGNA-IBGZPJMESA-N 1 2 276.405 2.096 20 30 CEEDLO CC1(C)C[S@@](=O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000336627873 527772182 /nfs/dbraw/zinc/77/21/82/527772182.db2.gz GPPFXJKVBMMGNA-IBGZPJMESA-N 1 2 276.405 2.096 20 30 CEEDLO CCC1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330184930 527863386 /nfs/dbraw/zinc/86/33/86/527863386.db2.gz IUWDBRONCKALBG-CYBMUJFWSA-N 1 2 276.384 2.234 20 30 CEEDLO CCN(CC#N)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000355637834 527881036 /nfs/dbraw/zinc/88/10/36/527881036.db2.gz TULYRPLSKCPFEA-UHFFFAOYSA-N 1 2 270.336 2.107 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000347494642 528618619 /nfs/dbraw/zinc/61/86/19/528618619.db2.gz BVWAMYJDNZTEMX-HNNXBMFYSA-N 1 2 292.427 2.256 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000347494642 528618625 /nfs/dbraw/zinc/61/86/25/528618625.db2.gz BVWAMYJDNZTEMX-HNNXBMFYSA-N 1 2 292.427 2.256 20 30 CEEDLO CCOc1ccc(/C=[NH+]/C[C@@H](C)C(=O)OC)c(O)c1 ZINC000726119433 574423844 /nfs/dbraw/zinc/42/38/44/574423844.db2.gz YQYPPVVYSCQIDI-KXUVPBGPSA-N 1 2 265.309 2.019 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccs1 ZINC000730271156 574512957 /nfs/dbraw/zinc/51/29/57/574512957.db2.gz MFEIKUVGGBVCQS-RYUDHWBXSA-N 1 2 262.378 2.023 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccs1 ZINC000730271156 574512959 /nfs/dbraw/zinc/51/29/59/574512959.db2.gz MFEIKUVGGBVCQS-RYUDHWBXSA-N 1 2 262.378 2.023 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COCC)c1 ZINC000730281989 574513526 /nfs/dbraw/zinc/51/35/26/574513526.db2.gz DYESZBNHAUPFDF-INIZCTEOSA-N 1 2 286.375 2.259 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COCC)c1 ZINC000730281989 574513527 /nfs/dbraw/zinc/51/35/27/574513527.db2.gz DYESZBNHAUPFDF-INIZCTEOSA-N 1 2 286.375 2.259 20 30 CEEDLO Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@H](C)C#N)cc12 ZINC000757908035 574514310 /nfs/dbraw/zinc/51/43/10/574514310.db2.gz RIBTVANHMBEJOH-QMMMGPOBSA-N 1 2 277.759 2.179 20 30 CEEDLO Cc1cccc(C)c1C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000738313580 574857943 /nfs/dbraw/zinc/85/79/43/574857943.db2.gz JHGZKUKIHYBJQS-INIZCTEOSA-N 1 2 269.392 2.476 20 30 CEEDLO Cc1cccc(C)c1C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000738313580 574857944 /nfs/dbraw/zinc/85/79/44/574857944.db2.gz JHGZKUKIHYBJQS-INIZCTEOSA-N 1 2 269.392 2.476 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000740480257 574955759 /nfs/dbraw/zinc/95/57/59/574955759.db2.gz RIUCYYFZJKHDPI-HNNXBMFYSA-N 1 2 297.443 2.095 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000740480257 574955760 /nfs/dbraw/zinc/95/57/60/574955760.db2.gz RIUCYYFZJKHDPI-HNNXBMFYSA-N 1 2 297.443 2.095 20 30 CEEDLO CCOCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000742352860 575015567 /nfs/dbraw/zinc/01/55/67/575015567.db2.gz FQWSUCKJGSXEGT-UHFFFAOYSA-N 1 2 256.733 2.404 20 30 CEEDLO CCc1nnc([C@@H](C)O[NH+]=C(N)c2ccc(OC)cc2)o1 ZINC000742355063 575015927 /nfs/dbraw/zinc/01/59/27/575015927.db2.gz SHHPJKYTNGWITH-SECBINFHSA-N 1 2 290.323 2.039 20 30 CEEDLO C#CCCCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000743693157 575108721 /nfs/dbraw/zinc/10/87/21/575108721.db2.gz GJIKZYIURORZRT-UHFFFAOYSA-N 1 2 290.754 2.200 20 30 CEEDLO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)CC#N)C2=O)cc1 ZINC000743483081 575105065 /nfs/dbraw/zinc/10/50/65/575105065.db2.gz SANDUAXUDDYXOG-DZGCQCFKSA-N 1 2 271.364 2.382 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000744410285 575120811 /nfs/dbraw/zinc/12/08/11/575120811.db2.gz ZOYAONWOWXXKJD-UHFFFAOYSA-N 1 2 295.338 2.260 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000744410285 575120812 /nfs/dbraw/zinc/12/08/12/575120812.db2.gz ZOYAONWOWXXKJD-UHFFFAOYSA-N 1 2 295.338 2.260 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000747327572 575169419 /nfs/dbraw/zinc/16/94/19/575169419.db2.gz UUPQFZOGWWTNNK-NSHDSACASA-N 1 2 287.323 2.384 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000747327572 575169420 /nfs/dbraw/zinc/16/94/20/575169420.db2.gz UUPQFZOGWWTNNK-NSHDSACASA-N 1 2 287.323 2.384 20 30 CEEDLO N#CCOc1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000748620709 575191386 /nfs/dbraw/zinc/19/13/86/575191386.db2.gz LIEBPWYJGJABJG-UHFFFAOYSA-N 1 2 284.319 2.204 20 30 CEEDLO CC(C)CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787023 575234190 /nfs/dbraw/zinc/23/41/90/575234190.db2.gz CDOLGBAFLWLOOF-LLVKDONJSA-N 1 2 295.358 2.013 20 30 CEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(F)cc1C ZINC000750939267 575280026 /nfs/dbraw/zinc/28/00/26/575280026.db2.gz YOSAQAZUGPDHJQ-UHFFFAOYSA-N 1 2 290.298 2.480 20 30 CEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1C ZINC000752302149 575308047 /nfs/dbraw/zinc/30/80/47/575308047.db2.gz YLHCBXICXIWOMH-BXUZGUMPSA-N 1 2 258.321 2.257 20 30 CEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C ZINC000752302149 575308048 /nfs/dbraw/zinc/30/80/48/575308048.db2.gz YLHCBXICXIWOMH-BXUZGUMPSA-N 1 2 258.321 2.257 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccco3)o2)CC1 ZINC000949228632 613010684 /nfs/dbraw/zinc/01/06/84/613010684.db2.gz GBUUGTUMGQGUTP-UHFFFAOYSA-N 1 2 298.342 2.321 20 30 CEEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CC=C)C2)cc1 ZINC000951117447 613166541 /nfs/dbraw/zinc/16/65/41/613166541.db2.gz SDRADZJZWUWWEU-UHFFFAOYSA-N 1 2 268.360 2.000 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000952306196 613294921 /nfs/dbraw/zinc/29/49/21/613294921.db2.gz GEDKJOLRLOAADU-HUUCEWRRSA-N 1 2 288.391 2.492 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000949205487 613315398 /nfs/dbraw/zinc/31/53/98/613315398.db2.gz NZYLBVADUHCKKA-UHFFFAOYSA-N 1 2 294.439 2.160 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC2(C)C)C1 ZINC000969500807 613371489 /nfs/dbraw/zinc/37/14/89/613371489.db2.gz XDEIMJYGQINFPQ-ZYHUDNBSSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccoc2C)C1 ZINC000969270537 613371782 /nfs/dbraw/zinc/37/17/82/613371782.db2.gz ZDJGSXWTTOGDEK-SNVBAGLBSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000970563331 613372285 /nfs/dbraw/zinc/37/22/85/613372285.db2.gz RVGTXVNWKUYKIZ-LEWSCRJBSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC000981421974 613373824 /nfs/dbraw/zinc/37/38/24/613373824.db2.gz VMUAIKRBTQJIFY-LLVKDONJSA-N 1 2 292.757 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC000981421974 613373825 /nfs/dbraw/zinc/37/38/25/613373825.db2.gz VMUAIKRBTQJIFY-LLVKDONJSA-N 1 2 292.757 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC000972731219 613379518 /nfs/dbraw/zinc/37/95/18/613379518.db2.gz DITFPZVFPWRQMP-GFCCVEGCSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC000972731219 613379519 /nfs/dbraw/zinc/37/95/19/613379519.db2.gz DITFPZVFPWRQMP-GFCCVEGCSA-N 1 2 270.804 2.366 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000957569578 613563165 /nfs/dbraw/zinc/56/31/65/613563165.db2.gz AFWYSFXJYZAUHF-UHFFFAOYSA-N 1 2 284.403 2.013 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC000950609535 613655004 /nfs/dbraw/zinc/65/50/04/613655004.db2.gz WBMHKKVLTXPWKK-CQSZACIVSA-N 1 2 262.397 2.285 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc(C)c2)C1 ZINC000949618527 613657868 /nfs/dbraw/zinc/65/78/68/613657868.db2.gz KQGKTCPYTUXLLU-UHFFFAOYSA-N 1 2 258.365 2.327 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000949724764 613710461 /nfs/dbraw/zinc/71/04/61/613710461.db2.gz CRCDMRGOIKQLMZ-ZDUSSCGKSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000957712275 613710587 /nfs/dbraw/zinc/71/05/87/613710587.db2.gz NIDRVFJUVJNWIO-ZDUSSCGKSA-N 1 2 276.355 2.259 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000949306056 613710616 /nfs/dbraw/zinc/71/06/16/613710616.db2.gz VZRFPQRNYCPJBK-LBPRGKRZSA-N 1 2 294.345 2.399 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3c(cccc3OC)[nH]2)CC1 ZINC000957642002 613715177 /nfs/dbraw/zinc/71/51/77/613715177.db2.gz MDTGGSRPBNKFLB-UHFFFAOYSA-N 1 2 299.374 2.120 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cnn([C@H](C)CC)c2C)CC1 ZINC000957128328 613718658 /nfs/dbraw/zinc/71/86/58/613718658.db2.gz JDERNWPMWFYXBC-CYBMUJFWSA-N 1 2 290.411 2.106 20 30 CEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972319509 613725122 /nfs/dbraw/zinc/72/51/22/613725122.db2.gz LIYBESCXLASYEP-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972319509 613725125 /nfs/dbraw/zinc/72/51/25/613725125.db2.gz LIYBESCXLASYEP-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000968458808 613769828 /nfs/dbraw/zinc/76/98/28/613769828.db2.gz FHMODOBJTQWUTH-WFASDCNBSA-N 1 2 298.390 2.189 20 30 CEEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000968458808 613769829 /nfs/dbraw/zinc/76/98/29/613769829.db2.gz FHMODOBJTQWUTH-WFASDCNBSA-N 1 2 298.390 2.189 20 30 CEEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000946931539 614156160 /nfs/dbraw/zinc/15/61/60/614156160.db2.gz DYDHCLQVXSDKDD-ZBEGNZNMSA-N 1 2 289.354 2.186 20 30 CEEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000946931539 614156162 /nfs/dbraw/zinc/15/61/62/614156162.db2.gz DYDHCLQVXSDKDD-ZBEGNZNMSA-N 1 2 289.354 2.186 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](COCC)C2)c1=S ZINC000177632564 623129589 /nfs/dbraw/zinc/12/95/89/623129589.db2.gz ZNSKYNIIXIAROQ-ZDUSSCGKSA-N 1 2 296.440 2.224 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](COCC)C2)c1=S ZINC000177632564 623129593 /nfs/dbraw/zinc/12/95/93/623129593.db2.gz ZNSKYNIIXIAROQ-ZDUSSCGKSA-N 1 2 296.440 2.224 20 30 CEEDLO Nc1ccc(C=[NH+]Nc2ccnc3ccccc32)cn1 ZINC000807969856 623180875 /nfs/dbraw/zinc/18/08/75/623180875.db2.gz MIQNHFQFQMGQHY-UHFFFAOYSA-N 1 2 263.304 2.080 20 30 CEEDLO CC[C@@H]([NH2+][C@H](CO)CCF)c1cccc(C#N)c1O ZINC000926654484 625628603 /nfs/dbraw/zinc/62/86/03/625628603.db2.gz FDAPSRKHXJZEQT-WCQYABFASA-N 1 2 266.316 2.025 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000891313820 623410140 /nfs/dbraw/zinc/41/01/40/623410140.db2.gz ZJTSKKHFIKEFHG-CYBMUJFWSA-N 1 2 265.316 2.066 20 30 CEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)C)C1 ZINC000971094373 623421181 /nfs/dbraw/zinc/42/11/81/623421181.db2.gz BBFFOFXHMWKRGB-NSHDSACASA-N 1 2 289.217 2.084 20 30 CEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C(C)C)C1 ZINC000971094373 623421185 /nfs/dbraw/zinc/42/11/85/623421185.db2.gz BBFFOFXHMWKRGB-NSHDSACASA-N 1 2 289.217 2.084 20 30 CEEDLO CCOc1cccc(/C=[NH+]\CCCN2CCCC2=O)c1O ZINC000255263055 623483497 /nfs/dbraw/zinc/48/34/97/623483497.db2.gz OJZJHOVKOIFDEM-ATVHPVEESA-N 1 2 290.363 2.222 20 30 CEEDLO CCn1c[nH+]c2c1CCN(Cc1ccc(C#N)s1)C2 ZINC000933254974 623561739 /nfs/dbraw/zinc/56/17/39/623561739.db2.gz GFUUFBIBNWCNIQ-UHFFFAOYSA-N 1 2 272.377 2.394 20 30 CEEDLO C=C(C)CNC(=S)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000066006674 625715996 /nfs/dbraw/zinc/71/59/96/625715996.db2.gz IOBHTEJGJNEVCS-GFCCVEGCSA-N 1 2 280.441 2.338 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000934510265 624549639 /nfs/dbraw/zinc/54/96/39/624549639.db2.gz VODLCRRUQPVTLH-INIZCTEOSA-N 1 2 295.386 2.421 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000934510265 624549643 /nfs/dbraw/zinc/54/96/43/624549643.db2.gz VODLCRRUQPVTLH-INIZCTEOSA-N 1 2 295.386 2.421 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000934512034 624551084 /nfs/dbraw/zinc/55/10/84/624551084.db2.gz XLQMNXLGANJYPN-OAHLLOKOSA-N 1 2 291.416 2.338 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccccc1 ZINC000934512034 624551087 /nfs/dbraw/zinc/55/10/87/624551087.db2.gz XLQMNXLGANJYPN-OAHLLOKOSA-N 1 2 291.416 2.338 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cc(C)ccn2)no1 ZINC000934516308 624554613 /nfs/dbraw/zinc/55/46/13/624554613.db2.gz ZKPPCXZVFBHNAQ-CYBMUJFWSA-N 1 2 282.347 2.428 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(C)ccn2)no1 ZINC000934516308 624554614 /nfs/dbraw/zinc/55/46/14/624554614.db2.gz ZKPPCXZVFBHNAQ-CYBMUJFWSA-N 1 2 282.347 2.428 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000154996469 624843179 /nfs/dbraw/zinc/84/31/79/624843179.db2.gz YWEHPSPGGQKFLN-ZDUSSCGKSA-N 1 2 262.328 2.217 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000154996469 624843184 /nfs/dbraw/zinc/84/31/84/624843184.db2.gz YWEHPSPGGQKFLN-ZDUSSCGKSA-N 1 2 262.328 2.217 20 30 CEEDLO CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C#N)c1O ZINC000926599060 625223762 /nfs/dbraw/zinc/22/37/62/625223762.db2.gz CQXGKHGAXPNGIB-CORIIIEPSA-N 1 2 260.337 2.218 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC000066425018 625914492 /nfs/dbraw/zinc/91/44/92/625914492.db2.gz KBEPMORXLNEIQQ-HZMBPMFUSA-N 1 2 268.307 2.480 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC000066425018 625914498 /nfs/dbraw/zinc/91/44/98/625914498.db2.gz KBEPMORXLNEIQQ-HZMBPMFUSA-N 1 2 268.307 2.480 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017861218 627347679 /nfs/dbraw/zinc/34/76/79/627347679.db2.gz PSELFBYSDNCLOE-JONQDZQNSA-N 1 2 274.408 2.121 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017861218 627347682 /nfs/dbraw/zinc/34/76/82/627347682.db2.gz PSELFBYSDNCLOE-JONQDZQNSA-N 1 2 274.408 2.121 20 30 CEEDLO COc1nc(N(C)C)sc1C=[NH+]N1CCCC[C@H]1C ZINC000853379476 627976465 /nfs/dbraw/zinc/97/64/65/627976465.db2.gz HEKVSOMQBCKEEI-SNVBAGLBSA-N 1 2 282.413 2.426 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776385830 628454044 /nfs/dbraw/zinc/45/40/44/628454044.db2.gz HRZWXXBWQMBKAE-KGLIPLIRSA-N 1 2 264.369 2.486 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776385830 628454046 /nfs/dbraw/zinc/45/40/46/628454046.db2.gz HRZWXXBWQMBKAE-KGLIPLIRSA-N 1 2 264.369 2.486 20 30 CEEDLO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925696142 628528748 /nfs/dbraw/zinc/52/87/48/628528748.db2.gz JHPZJCAWYGRXLY-DOMZBBRYSA-N 1 2 274.364 2.489 20 30 CEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCn2cc[nH+]c2)c1 ZINC000840607069 628625935 /nfs/dbraw/zinc/62/59/35/628625935.db2.gz PXYHQBNUUYPBSY-LSDHHAIUSA-N 1 2 281.315 2.102 20 30 CEEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000931531373 628667899 /nfs/dbraw/zinc/66/78/99/628667899.db2.gz CXCKLOHTKGIWGG-HUUCEWRRSA-N 1 2 262.328 2.222 20 30 CEEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000931531373 628667900 /nfs/dbraw/zinc/66/79/00/628667900.db2.gz CXCKLOHTKGIWGG-HUUCEWRRSA-N 1 2 262.328 2.222 20 30 CEEDLO C=CCC[C@@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000909378448 628669913 /nfs/dbraw/zinc/66/99/13/628669913.db2.gz ZWEOQACFHMMVCI-ZDUSSCGKSA-N 1 2 262.353 2.064 20 30 CEEDLO C/C(=C\C(=O)Nc1cc(C)cc(C#N)c1)C[NH+]1CCOCC1 ZINC000909400395 628716399 /nfs/dbraw/zinc/71/63/99/628716399.db2.gz CFPINKBQNCVENG-NTEUORMPSA-N 1 2 299.374 2.084 20 30 CEEDLO CNc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc[nH+]1 ZINC000893558011 628742279 /nfs/dbraw/zinc/74/22/79/628742279.db2.gz LXLFDDXTSLVJGG-ZDUSSCGKSA-N 1 2 265.320 2.489 20 30 CEEDLO CNc1cc(N[C@H]2CCc3cc(C#N)ccc32)[nH+]cn1 ZINC000893558011 628742281 /nfs/dbraw/zinc/74/22/81/628742281.db2.gz LXLFDDXTSLVJGG-ZDUSSCGKSA-N 1 2 265.320 2.489 20 30 CEEDLO Cc1cc(F)c(C#N)c(N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000893563309 628745760 /nfs/dbraw/zinc/74/57/60/628745760.db2.gz AEWDIZCBGHOOSL-ZDUSSCGKSA-N 1 2 291.370 2.163 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893683535 628915585 /nfs/dbraw/zinc/91/55/85/628915585.db2.gz JFQQVDOMTKRHFB-NEPJUHHUSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893683535 628915588 /nfs/dbraw/zinc/91/55/88/628915588.db2.gz JFQQVDOMTKRHFB-NEPJUHHUSA-N 1 2 264.373 2.426 20 30 CEEDLO CC[N@@H+](Cc1csc(C#N)c1)C[C@H](O)C(F)(F)F ZINC000893702978 628947504 /nfs/dbraw/zinc/94/75/04/628947504.db2.gz JKTOLFVMQISAON-JTQLQIEISA-N 1 2 278.299 2.365 20 30 CEEDLO CC[N@H+](Cc1csc(C#N)c1)C[C@H](O)C(F)(F)F ZINC000893702978 628947505 /nfs/dbraw/zinc/94/75/05/628947505.db2.gz JKTOLFVMQISAON-JTQLQIEISA-N 1 2 278.299 2.365 20 30 CEEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000932163765 628981465 /nfs/dbraw/zinc/98/14/65/628981465.db2.gz WVUWIKJYEKVAST-TZMCWYRMSA-N 1 2 294.782 2.315 20 30 CEEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000932163765 628981466 /nfs/dbraw/zinc/98/14/66/628981466.db2.gz WVUWIKJYEKVAST-TZMCWYRMSA-N 1 2 294.782 2.315 20 30 CEEDLO Cc1cc(F)c(C#N)c(N2CCc3[nH+]c[nH]c3C2)c1 ZINC000893906117 629036941 /nfs/dbraw/zinc/03/69/41/629036941.db2.gz ABAMNPBIKQVDRQ-UHFFFAOYSA-N 1 2 256.284 2.292 20 30 CEEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](CCC#N)CC(C)(C)C)C1(F)F ZINC000894004168 629083624 /nfs/dbraw/zinc/08/36/24/629083624.db2.gz ZPKGUUNMAATNDM-MNOVXSKESA-N 1 2 288.338 2.302 20 30 CEEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)C1(F)F ZINC000894004168 629083625 /nfs/dbraw/zinc/08/36/25/629083625.db2.gz ZPKGUUNMAATNDM-MNOVXSKESA-N 1 2 288.338 2.302 20 30 CEEDLO C=C(C)CCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894053106 629105015 /nfs/dbraw/zinc/10/50/15/629105015.db2.gz IHUOAOLGWDDJSG-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C=C(C)CCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894053106 629105018 /nfs/dbraw/zinc/10/50/18/629105018.db2.gz IHUOAOLGWDDJSG-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C#CCCOc1ccc(C[N@H+](CCC)CC(=O)OC)cc1 ZINC000178871478 629227731 /nfs/dbraw/zinc/22/77/31/629227731.db2.gz WJPBBNQZRBMMMA-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+](CCC)CC(=O)OC)cc1 ZINC000178871478 629227734 /nfs/dbraw/zinc/22/77/34/629227734.db2.gz WJPBBNQZRBMMMA-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H](C)C#N ZINC000894453677 629467166 /nfs/dbraw/zinc/46/71/66/629467166.db2.gz WDQMZXKODWVLPI-SNVBAGLBSA-N 1 2 271.320 2.204 20 30 CEEDLO C#CCCN(CCOC)c1cc(CC)[nH+]c(CC)n1 ZINC000894641437 629570218 /nfs/dbraw/zinc/57/02/18/629570218.db2.gz RIFQLVYFYSPTJQ-UHFFFAOYSA-N 1 2 261.369 2.078 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H](C)CC1)C(=O)OC ZINC000894641636 629570820 /nfs/dbraw/zinc/57/08/20/629570820.db2.gz ITAMQWQRJCOFAQ-IHRRRGAJSA-N 1 2 269.385 2.289 20 30 CEEDLO CCNc1cc(CNc2nc(C)cc(C#N)n2)cc[nH+]1 ZINC000894872468 629708720 /nfs/dbraw/zinc/70/87/20/629708720.db2.gz JJBACXJYRVEJQL-UHFFFAOYSA-N 1 2 268.324 2.096 20 30 CEEDLO C[N@@H+](Cc1nccn1C1CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000895142518 629955372 /nfs/dbraw/zinc/95/53/72/629955372.db2.gz 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/nfs/dbraw/zinc/79/34/25/630793425.db2.gz WBADQEKFXINXDC-UHFFFAOYSA-N 1 2 299.374 2.450 20 30 CEEDLO Cc1[nH]c(CNC(=O)C2(c3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000896911416 630794724 /nfs/dbraw/zinc/79/47/24/630794724.db2.gz RXSWVVYSDCBUTJ-UHFFFAOYSA-N 1 2 294.358 2.246 20 30 CEEDLO COCC[C@@H](C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000840710892 630903182 /nfs/dbraw/zinc/90/31/82/630903182.db2.gz MUJGPMWCYRHEAF-HGLKBHAMSA-N 1 2 251.326 2.492 20 30 CEEDLO N#Cc1ccc(F)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000824830392 635506520 /nfs/dbraw/zinc/50/65/20/635506520.db2.gz PBYWVRNCRNOPSQ-UHFFFAOYSA-N 1 2 298.321 2.440 20 30 CEEDLO Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000799636296 631053620 /nfs/dbraw/zinc/05/36/20/631053620.db2.gz KRKIQYLEWMKCCJ-GFCCVEGCSA-N 1 2 282.347 2.129 20 30 CEEDLO COc1cccc(C[NH2+]Cc2ccc(C#N)cn2)c1F ZINC000800267112 631104407 /nfs/dbraw/zinc/10/44/07/631104407.db2.gz SDLIQCKZZUSRHS-UHFFFAOYSA-N 1 2 271.295 2.391 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2cncc(Cl)n2)cn1C ZINC000800809690 631145936 /nfs/dbraw/zinc/14/59/36/631145936.db2.gz FYSGEISSYSRLAJ-UHFFFAOYSA-N 1 2 264.720 2.008 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](CC#N)C(F)(F)F)ccn12 ZINC000928801107 631161727 /nfs/dbraw/zinc/16/17/27/631161727.db2.gz RCJORTDGEBRWOI-JTQLQIEISA-N 1 2 296.252 2.217 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)Cc1cc(C)ccc1O ZINC000091773527 631162821 /nfs/dbraw/zinc/16/28/21/631162821.db2.gz IYPIJYAAKRCNMC-UHFFFAOYSA-N 1 2 263.337 2.252 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)Cc1cc(C)ccc1O ZINC000091773527 631162824 /nfs/dbraw/zinc/16/28/24/631162824.db2.gz IYPIJYAAKRCNMC-UHFFFAOYSA-N 1 2 263.337 2.252 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000801927176 631358033 /nfs/dbraw/zinc/35/80/33/631358033.db2.gz JJXXLXIRYDNKOG-BZPMIXESSA-N 1 2 280.393 2.439 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000801927176 631358037 /nfs/dbraw/zinc/35/80/37/631358037.db2.gz JJXXLXIRYDNKOG-BZPMIXESSA-N 1 2 280.393 2.439 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000801926286 631358347 /nfs/dbraw/zinc/35/83/47/631358347.db2.gz DHHUJXAMUOZOIB-RYUDHWBXSA-N 1 2 266.366 2.050 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000801926286 631358350 /nfs/dbraw/zinc/35/83/50/631358350.db2.gz DHHUJXAMUOZOIB-RYUDHWBXSA-N 1 2 266.366 2.050 20 30 CEEDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(C#N)cc1 ZINC000802788200 631461374 /nfs/dbraw/zinc/46/13/74/631461374.db2.gz RYVQSFARMWBPOF-UHFFFAOYSA-N 1 2 269.304 2.081 20 30 CEEDLO N#Cc1cc(F)cc(C2(C(=O)OCCn3cc[nH+]c3)CC2)c1 ZINC000802815208 631465118 /nfs/dbraw/zinc/46/51/18/631465118.db2.gz OTRUADGCTXFJQL-UHFFFAOYSA-N 1 2 299.305 2.169 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)C1CC1 ZINC000840040411 631664469 /nfs/dbraw/zinc/66/44/69/631664469.db2.gz CVLCMIPDRPHVNC-HNNXBMFYSA-N 1 2 290.407 2.012 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)C1CC1 ZINC000840040411 631664473 /nfs/dbraw/zinc/66/44/73/631664473.db2.gz CVLCMIPDRPHVNC-HNNXBMFYSA-N 1 2 290.407 2.012 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840040534 631664639 /nfs/dbraw/zinc/66/46/39/631664639.db2.gz FTGWQSKZAPKHCQ-ZIAGYGMSSA-N 1 2 276.380 2.382 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840040534 631664646 /nfs/dbraw/zinc/66/46/46/631664646.db2.gz FTGWQSKZAPKHCQ-ZIAGYGMSSA-N 1 2 276.380 2.382 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)Nc2n[nH]c(C3CC3)c2C#N)c[nH+]1 ZINC000897744646 631909818 /nfs/dbraw/zinc/90/98/18/631909818.db2.gz QLLRPSBHTOHQCO-UHFFFAOYSA-N 1 2 298.350 2.038 20 30 CEEDLO COc1cncc(CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000808246846 631940621 /nfs/dbraw/zinc/94/06/21/631940621.db2.gz MTONBVMDIPHGFS-UHFFFAOYSA-N 1 2 275.283 2.066 20 30 CEEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)CC#N ZINC000809571818 632101793 /nfs/dbraw/zinc/10/17/93/632101793.db2.gz DFGUJFYHMPGMQJ-GXSJLCMTSA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)CC#N ZINC000809571818 632101796 /nfs/dbraw/zinc/10/17/96/632101796.db2.gz DFGUJFYHMPGMQJ-GXSJLCMTSA-N 1 2 254.280 2.232 20 30 CEEDLO C#C[C@@H](CC)[NH2+]Cc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000809686369 632126923 /nfs/dbraw/zinc/12/69/23/632126923.db2.gz ORBTZRUSNNWEJA-AWEZNQCLSA-N 1 2 268.364 2.386 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000809683646 632127071 /nfs/dbraw/zinc/12/70/71/632127071.db2.gz GUWSPHLEULCXPU-SECBINFHSA-N 1 2 278.718 2.171 20 30 CEEDLO Cc1nonc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000809744764 632138258 /nfs/dbraw/zinc/13/82/58/632138258.db2.gz BVOASHVSQDIBGB-UHFFFAOYSA-N 1 2 286.335 2.350 20 30 CEEDLO C#C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000810641251 632249299 /nfs/dbraw/zinc/24/92/99/632249299.db2.gz CMEWZFLWCONHDT-QGZVFWFLSA-N 1 2 294.354 2.429 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cocn3)CCC[C@@H]12 ZINC000990030379 632305405 /nfs/dbraw/zinc/30/54/05/632305405.db2.gz JGWSBEWJCKXOBG-TZMCWYRMSA-N 1 2 295.770 2.154 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cocn3)CCC[C@@H]12 ZINC000990030379 632305409 /nfs/dbraw/zinc/30/54/09/632305409.db2.gz JGWSBEWJCKXOBG-TZMCWYRMSA-N 1 2 295.770 2.154 20 30 CEEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014519892 632328586 /nfs/dbraw/zinc/32/85/86/632328586.db2.gz COPFEFLATTYJIW-OAHLLOKOSA-N 1 2 283.375 2.049 20 30 CEEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001014519892 632328590 /nfs/dbraw/zinc/32/85/90/632328590.db2.gz COPFEFLATTYJIW-OAHLLOKOSA-N 1 2 283.375 2.049 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001007071288 632393107 /nfs/dbraw/zinc/39/31/07/632393107.db2.gz NSZXFLGSMDZJRX-KGPNIALWSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001007071288 632393112 /nfs/dbraw/zinc/39/31/12/632393112.db2.gz NSZXFLGSMDZJRX-KGPNIALWSA-N 1 2 270.804 2.366 20 30 CEEDLO CN(C)c1ncc(C=[NH+]Nc2cccc3ncccc32)n1C ZINC000811637913 632410905 /nfs/dbraw/zinc/41/09/05/632410905.db2.gz OEQPPNYVRPVGNQ-UHFFFAOYSA-N 1 2 294.362 2.480 20 30 CEEDLO Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000899220663 632749385 /nfs/dbraw/zinc/74/93/85/632749385.db2.gz ODTSEHZNQYUXPR-CQSZACIVSA-N 1 2 289.354 2.030 20 30 CEEDLO Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000899220663 632749391 /nfs/dbraw/zinc/74/93/91/632749391.db2.gz ODTSEHZNQYUXPR-CQSZACIVSA-N 1 2 289.354 2.030 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]NCc1cccc(F)c1 ZINC000814805117 632900756 /nfs/dbraw/zinc/90/07/56/632900756.db2.gz RYJUBKGECZSPFL-UHFFFAOYSA-N 1 2 285.326 2.028 20 30 CEEDLO CC(=[NH+]N[C@H](C)CC#N)c1cc(F)c(N)c(F)c1 ZINC000814880643 632912990 /nfs/dbraw/zinc/91/29/90/632912990.db2.gz BFRHFWDOMZZHNS-SSDOTTSWSA-N 1 2 252.268 2.163 20 30 CEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000815155038 632973433 /nfs/dbraw/zinc/97/34/33/632973433.db2.gz KLOWUZJIBPVUOI-UHFFFAOYSA-N 1 2 290.338 2.426 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CC2CCC=CCC2)nn1 ZINC000899743150 632978106 /nfs/dbraw/zinc/97/81/06/632978106.db2.gz XCMZMAHWMBENJV-UHFFFAOYSA-N 1 2 258.369 2.137 20 30 CEEDLO C#CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815585115 633034880 /nfs/dbraw/zinc/03/48/80/633034880.db2.gz YPTVBMCJVAKBJI-CYBMUJFWSA-N 1 2 258.300 2.036 20 30 CEEDLO C=C1C[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000899900078 633082613 /nfs/dbraw/zinc/08/26/13/633082613.db2.gz IBGRCRFIRWNKJD-DOTOQJQBSA-N 1 2 273.376 2.313 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000899901368 633085688 /nfs/dbraw/zinc/08/56/88/633085688.db2.gz JNIQFUXMVRJRGB-OAHLLOKOSA-N 1 2 269.344 2.451 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000816839268 633479952 /nfs/dbraw/zinc/47/99/52/633479952.db2.gz ZRUORMQZYCQCSM-CYBMUJFWSA-N 1 2 265.316 2.066 20 30 CEEDLO CS(=O)(=O)c1ccc(N[NH2+]C=CC(F)(F)F)cc1 ZINC000817323535 633627066 /nfs/dbraw/zinc/62/70/66/633627066.db2.gz OWGKGPPAUXVOTJ-UHFFFAOYSA-N 1 2 280.271 2.440 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)nn1 ZINC000818346603 633914548 /nfs/dbraw/zinc/91/45/48/633914548.db2.gz FUCASAYCBOYPMR-LBPRGKRZSA-N 1 2 289.770 2.290 20 30 CEEDLO CC(C)n1c[nH+]cc1/C=C1\CCn2ccnc2C1=O ZINC000901536047 634164933 /nfs/dbraw/zinc/16/49/33/634164933.db2.gz ORKPGWMJCJOEAY-YRNVUSSQSA-N 1 2 256.309 2.331 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000901643783 634225192 /nfs/dbraw/zinc/22/51/92/634225192.db2.gz VFVGNBCVAUGFPB-CQSZACIVSA-N 1 2 271.368 2.216 20 30 CEEDLO CC(C)n1c[nH+]cc1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000819806392 634268489 /nfs/dbraw/zinc/26/84/89/634268489.db2.gz RJADOFPTQXEIOL-UHFFFAOYSA-N 1 2 274.284 2.213 20 30 CEEDLO CCCn1cc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)nn1 ZINC000902881415 634876919 /nfs/dbraw/zinc/87/69/19/634876919.db2.gz ITBDBDRQUAGLSQ-LBPRGKRZSA-N 1 2 299.378 2.419 20 30 CEEDLO C#C[C@H](CCC)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000822395862 634909898 /nfs/dbraw/zinc/90/98/98/634909898.db2.gz GYNGLQGLOBYEIR-GHMZBOCLSA-N 1 2 287.285 2.295 20 30 CEEDLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc(C#N)ccn1 ZINC000902956666 634911897 /nfs/dbraw/zinc/91/18/97/634911897.db2.gz LYUOIEGFJCTMPP-WCQYABFASA-N 1 2 271.320 2.321 20 30 CEEDLO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cc(C#N)ccn1 ZINC000902993337 634923343 /nfs/dbraw/zinc/92/33/43/634923343.db2.gz RHHNPSPZTGGGLZ-GFCCVEGCSA-N 1 2 281.363 2.265 20 30 CEEDLO CC(C)[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1nncn1C ZINC000903063035 634951940 /nfs/dbraw/zinc/95/19/40/634951940.db2.gz BGJAQXAAJQZIBO-BXUZGUMPSA-N 1 2 284.367 2.130 20 30 CEEDLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903086718 634962780 /nfs/dbraw/zinc/96/27/80/634962780.db2.gz IFXSQDMCVWYAIQ-PWSUYJOCSA-N 1 2 267.336 2.464 20 30 CEEDLO CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C#N)c1O ZINC000903412256 635106170 /nfs/dbraw/zinc/10/61/70/635106170.db2.gz TXBKLNDUZHGYEU-HUUCEWRRSA-N 1 2 274.364 2.466 20 30 CEEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000903990245 635408065 /nfs/dbraw/zinc/40/80/65/635408065.db2.gz HGBVBLBAVXGBAA-CYBMUJFWSA-N 1 2 276.311 2.476 20 30 CEEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000903990245 635408067 /nfs/dbraw/zinc/40/80/67/635408067.db2.gz HGBVBLBAVXGBAA-CYBMUJFWSA-N 1 2 276.311 2.476 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000824869844 635515937 /nfs/dbraw/zinc/51/59/37/635515937.db2.gz MABWNRRNROKXFO-NWDGAFQWSA-N 1 2 299.296 2.248 20 30 CEEDLO CCCCN(O)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000904214813 635522866 /nfs/dbraw/zinc/52/28/66/635522866.db2.gz NVYOSWZNXWRYII-UHFFFAOYSA-N 1 2 273.336 2.433 20 30 CEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCO[C@@H](CC)C1 ZINC000826990317 636180178 /nfs/dbraw/zinc/18/01/78/636180178.db2.gz DZHGZCSMMMLCDY-GJZGRUSLSA-N 1 2 295.423 2.469 20 30 CEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCO[C@@H](CC)C1 ZINC000826990317 636180187 /nfs/dbraw/zinc/18/01/87/636180187.db2.gz DZHGZCSMMMLCDY-GJZGRUSLSA-N 1 2 295.423 2.469 20 30 CEEDLO C[C@@H]1CCN(C(=O)C#Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000827064143 636203873 /nfs/dbraw/zinc/20/38/73/636203873.db2.gz PTDNNBNJEYFMGW-UKRRQHHQSA-N 1 2 299.399 2.406 20 30 CEEDLO C#CC1CC[NH+](CC(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000830330209 637038790 /nfs/dbraw/zinc/03/87/90/637038790.db2.gz UONPKIRJPLHWIW-UHFFFAOYSA-N 1 2 284.359 2.173 20 30 CEEDLO C=C1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000830985542 637209695 /nfs/dbraw/zinc/20/96/95/637209695.db2.gz VGGGSZYOAVRNBO-ZIAGYGMSSA-N 1 2 273.380 2.386 20 30 CEEDLO Fc1cc(N2CC[NH+](CC#Cc3ccccc3)CC2)ccn1 ZINC000831463054 637339836 /nfs/dbraw/zinc/33/98/36/637339836.db2.gz MRBXPFLITQUZCX-UHFFFAOYSA-N 1 2 295.361 2.394 20 30 CEEDLO C#CC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000831874633 637453062 /nfs/dbraw/zinc/45/30/62/637453062.db2.gz YXCPUVFKKXEFSH-OAHLLOKOSA-N 1 2 274.339 2.054 20 30 CEEDLO Nc1ccc2c(n1)CCCC2=[NH+]O[C@H]1CCCCO1 ZINC000834966157 638000386 /nfs/dbraw/zinc/00/03/86/638000386.db2.gz DIJVUENJLBMSGV-AWEZNQCLSA-N 1 2 261.325 2.247 20 30 CEEDLO CC1(C)OCC[C@H]1NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000835013692 638021526 /nfs/dbraw/zinc/02/15/26/638021526.db2.gz GJJIBHCMNDKOMD-CQSZACIVSA-N 1 2 288.395 2.195 20 30 CEEDLO CCCCCCCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913443826 639288451 /nfs/dbraw/zinc/28/84/51/639288451.db2.gz URMZHJZUBOMFJE-AWEZNQCLSA-N 1 2 278.400 2.243 20 30 CEEDLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(C#N)CCC1 ZINC000841897998 639902256 /nfs/dbraw/zinc/90/22/56/639902256.db2.gz JXJJPSQOQPYHAN-ZDUSSCGKSA-N 1 2 292.404 2.132 20 30 CEEDLO C=CCOCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000842019301 639920722 /nfs/dbraw/zinc/92/07/22/639920722.db2.gz LATVJDLXNILIAH-UHFFFAOYSA-N 1 2 254.717 2.180 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](Cn2ncn(CC)c2=S)C1 ZINC000842627348 640124152 /nfs/dbraw/zinc/12/41/52/640124152.db2.gz GSRVBCCVGCWVOL-LBPRGKRZSA-N 1 2 264.398 2.127 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](Cn2ncn(CC)c2=S)C1 ZINC000842627348 640124157 /nfs/dbraw/zinc/12/41/57/640124157.db2.gz GSRVBCCVGCWVOL-LBPRGKRZSA-N 1 2 264.398 2.127 20 30 CEEDLO C#CC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](C)CC3)CC1 ZINC000842633463 640129039 /nfs/dbraw/zinc/12/90/39/640129039.db2.gz IFXZEEZMCJHPJY-LBPRGKRZSA-N 1 2 290.432 2.337 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)C)[C@H]1C ZINC000993073517 640428475 /nfs/dbraw/zinc/42/84/75/640428475.db2.gz OZOVGNVOKPLXGI-VXGBXAGGSA-N 1 2 258.793 2.364 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)[C@H]1C ZINC000993073517 640428478 /nfs/dbraw/zinc/42/84/78/640428478.db2.gz OZOVGNVOKPLXGI-VXGBXAGGSA-N 1 2 258.793 2.364 20 30 CEEDLO Cc1nnsc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000844235310 640639069 /nfs/dbraw/zinc/63/90/69/640639069.db2.gz GOYMDURYBKWPCD-UHFFFAOYSA-N 1 2 280.328 2.131 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H]1C ZINC000993967186 640687555 /nfs/dbraw/zinc/68/75/55/640687555.db2.gz YYIVICLHWGKHLO-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H]1C ZINC000993967186 640687558 /nfs/dbraw/zinc/68/75/58/640687558.db2.gz YYIVICLHWGKHLO-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367807 640693514 /nfs/dbraw/zinc/69/35/14/640693514.db2.gz PLCZYPRWVHKXGJ-CYBMUJFWSA-N 1 2 250.729 2.276 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367807 640693520 /nfs/dbraw/zinc/69/35/20/640693520.db2.gz PLCZYPRWVHKXGJ-CYBMUJFWSA-N 1 2 250.729 2.276 20 30 CEEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@H]1C ZINC000994067524 640695054 /nfs/dbraw/zinc/69/50/54/640695054.db2.gz FYDBFKCUUWJNJQ-TZMCWYRMSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@H]1C ZINC000994067524 640695055 /nfs/dbraw/zinc/69/50/55/640695055.db2.gz FYDBFKCUUWJNJQ-TZMCWYRMSA-N 1 2 298.390 2.332 20 30 CEEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1csc(N)n1 ZINC000915962487 640714464 /nfs/dbraw/zinc/71/44/64/640714464.db2.gz MQNZWQZWGCNMBJ-UHFFFAOYSA-N 1 2 257.322 2.433 20 30 CEEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H]1C ZINC000994325382 640808695 /nfs/dbraw/zinc/80/86/95/640808695.db2.gz CSITWWZFRBHHMO-OCCSQVGLSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H]1C ZINC000994325382 640808700 /nfs/dbraw/zinc/80/87/00/640808700.db2.gz CSITWWZFRBHHMO-OCCSQVGLSA-N 1 2 298.390 2.332 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994513149 640858945 /nfs/dbraw/zinc/85/89/45/640858945.db2.gz XZBJIRHHDSWAHL-QWRGUYRKSA-N 1 2 280.368 2.103 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994513149 640858949 /nfs/dbraw/zinc/85/89/49/640858949.db2.gz XZBJIRHHDSWAHL-QWRGUYRKSA-N 1 2 280.368 2.103 20 30 CEEDLO C=CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)C ZINC000918069831 640937681 /nfs/dbraw/zinc/93/76/81/640937681.db2.gz LWNPFUKOPKTLNM-UHFFFAOYSA-N 1 2 290.411 2.368 20 30 CEEDLO C#CCC[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845603311 641012113 /nfs/dbraw/zinc/01/21/13/641012113.db2.gz RJRDFGJQOYLNTH-LBPRGKRZSA-N 1 2 260.337 2.107 20 30 CEEDLO CC(C)Cc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000846954435 641497759 /nfs/dbraw/zinc/49/77/59/641497759.db2.gz JQEVXQNIRUJJPZ-UHFFFAOYSA-N 1 2 299.418 2.443 20 30 CEEDLO C[C@H](C#N)OCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000847087326 641563298 /nfs/dbraw/zinc/56/32/98/641563298.db2.gz RWSGDJKDMWEUEB-GFCCVEGCSA-N 1 2 282.384 2.111 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000847087326 641563304 /nfs/dbraw/zinc/56/33/04/641563304.db2.gz RWSGDJKDMWEUEB-GFCCVEGCSA-N 1 2 282.384 2.111 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000847497472 641675960 /nfs/dbraw/zinc/67/59/60/641675960.db2.gz HVDNSLASMZMLPE-SWLSCSKDSA-N 1 2 284.363 2.417 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000847497472 641675964 /nfs/dbraw/zinc/67/59/64/641675964.db2.gz HVDNSLASMZMLPE-SWLSCSKDSA-N 1 2 284.363 2.417 20 30 CEEDLO C[C@H]1CCC(=NNCCCn2cc[nH+]c2)CS1 ZINC000848416424 641984650 /nfs/dbraw/zinc/98/46/50/641984650.db2.gz KYFGOLUXXPYWSV-NSHDSACASA-N 1 2 252.387 2.134 20 30 CEEDLO CCCC(=NNCCCn1cc[nH+]c1)c1cccnc1 ZINC000848416278 641985068 /nfs/dbraw/zinc/98/50/68/641985068.db2.gz FPMGOMVCPOKZMI-UHFFFAOYSA-N 1 2 271.368 2.462 20 30 CEEDLO COc1ccc2c(c1)C(=NNCCCn1cc[nH+]c1)CC2 ZINC000848417491 641985996 /nfs/dbraw/zinc/98/59/96/641985996.db2.gz AGLNTQKSHCSNGZ-UHFFFAOYSA-N 1 2 284.363 2.222 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000877480579 650741671 /nfs/dbraw/zinc/74/16/71/650741671.db2.gz ZVKSIBOHAPBREX-NSHDSACASA-N 1 2 290.367 2.277 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000877480579 650741672 /nfs/dbraw/zinc/74/16/72/650741672.db2.gz ZVKSIBOHAPBREX-NSHDSACASA-N 1 2 290.367 2.277 20 30 CEEDLO N#Cc1cc(C[NH2+]Cc2cn3c(n2)CCCC3)cs1 ZINC000921658455 642409110 /nfs/dbraw/zinc/40/91/10/642409110.db2.gz VMGRUWXNUKMDAZ-UHFFFAOYSA-N 1 2 272.377 2.442 20 30 CEEDLO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999205295 642467623 /nfs/dbraw/zinc/46/76/23/642467623.db2.gz ALEZAIOGBNFXKV-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000999205295 642467627 /nfs/dbraw/zinc/46/76/27/642467627.db2.gz ALEZAIOGBNFXKV-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(F)s1 ZINC000850827273 642795329 /nfs/dbraw/zinc/79/53/29/642795329.db2.gz XJNODGIQCOUGPE-SNVBAGLBSA-N 1 2 267.325 2.142 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(F)s1 ZINC000850827273 642795333 /nfs/dbraw/zinc/79/53/33/642795333.db2.gz XJNODGIQCOUGPE-SNVBAGLBSA-N 1 2 267.325 2.142 20 30 CEEDLO C#C[C@H]1CCCC[C@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000851538720 643060381 /nfs/dbraw/zinc/06/03/81/643060381.db2.gz YXNKJSPMFWERRX-DZGCQCFKSA-N 1 2 286.375 2.497 20 30 CEEDLO CCOc1cccc(F)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000877605808 650810635 /nfs/dbraw/zinc/81/06/35/650810635.db2.gz JTSJXYHOYRUVMA-OAHLLOKOSA-N 1 2 278.327 2.075 20 30 CEEDLO CCOc1cccc(F)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000877605808 650810638 /nfs/dbraw/zinc/81/06/38/650810638.db2.gz JTSJXYHOYRUVMA-OAHLLOKOSA-N 1 2 278.327 2.075 20 30 CEEDLO C=CC[N@@H+](Cc1[nH]nc(C)c1C(=O)OCC)C(C)C ZINC000851731620 643131747 /nfs/dbraw/zinc/13/17/47/643131747.db2.gz VSBKNNMZMFABHE-UHFFFAOYSA-N 1 2 265.357 2.291 20 30 CEEDLO C=CC[N@H+](Cc1[nH]nc(C)c1C(=O)OCC)C(C)C ZINC000851731620 643131749 /nfs/dbraw/zinc/13/17/49/643131749.db2.gz VSBKNNMZMFABHE-UHFFFAOYSA-N 1 2 265.357 2.291 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccn2)C2CC2)nn1 ZINC000922583040 643142584 /nfs/dbraw/zinc/14/25/84/643142584.db2.gz SNSKOPBMOZAMHE-INIZCTEOSA-N 1 2 283.379 2.490 20 30 CEEDLO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852320019 643392325 /nfs/dbraw/zinc/39/23/25/643392325.db2.gz UVCKJXBSPGQGMV-QWHCGFSZSA-N 1 2 252.358 2.344 20 30 CEEDLO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000852320019 643392331 /nfs/dbraw/zinc/39/23/31/643392331.db2.gz UVCKJXBSPGQGMV-QWHCGFSZSA-N 1 2 252.358 2.344 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+]CCC[C@H]1CCO1)C(=O)OCC ZINC000877670909 650843272 /nfs/dbraw/zinc/84/32/72/650843272.db2.gz CHIINFVDSQOHCD-RYUDHWBXSA-N 1 2 275.776 2.219 20 30 CEEDLO C=C(Cl)C[C@@H]([NH2+]CC1CC(OCC)C1)C(=O)OCC ZINC000877671868 650843855 /nfs/dbraw/zinc/84/38/55/650843855.db2.gz QLCFBGKQDRZSQY-WXRRBKDZSA-N 1 2 289.803 2.465 20 30 CEEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1CCCOCC1)C(=O)OCC ZINC000877671660 650843885 /nfs/dbraw/zinc/84/38/85/650843885.db2.gz MLLFELPKLJXBIE-NWDGAFQWSA-N 1 2 275.776 2.219 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852685052 643512223 /nfs/dbraw/zinc/51/22/23/643512223.db2.gz UJJLKUYOVXWMGN-GOEBONIOSA-N 1 2 285.347 2.247 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852685052 643512231 /nfs/dbraw/zinc/51/22/31/643512231.db2.gz UJJLKUYOVXWMGN-GOEBONIOSA-N 1 2 285.347 2.247 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1cc(C(C)(C)C)on1 ZINC000852748485 643532946 /nfs/dbraw/zinc/53/29/46/643532946.db2.gz ATZMDYWQALRZOY-UHFFFAOYSA-N 1 2 264.369 2.444 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1cc(C(C)(C)C)on1 ZINC000852748485 643532950 /nfs/dbraw/zinc/53/29/50/643532950.db2.gz ATZMDYWQALRZOY-UHFFFAOYSA-N 1 2 264.369 2.444 20 30 CEEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCC1(F)F ZINC000877696431 650855680 /nfs/dbraw/zinc/85/56/80/650855680.db2.gz PVCJAHQBRHEMHD-GFCCVEGCSA-N 1 2 298.289 2.172 20 30 CEEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCC1(F)F ZINC000877696431 650855681 /nfs/dbraw/zinc/85/56/81/650855681.db2.gz PVCJAHQBRHEMHD-GFCCVEGCSA-N 1 2 298.289 2.172 20 30 CEEDLO C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424981 643703970 /nfs/dbraw/zinc/70/39/70/643703970.db2.gz VVBBCPKSSVDXIA-BQGCOEIASA-N 1 2 287.407 2.039 20 30 CEEDLO C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424981 643703974 /nfs/dbraw/zinc/70/39/74/643703974.db2.gz VVBBCPKSSVDXIA-BQGCOEIASA-N 1 2 287.407 2.039 20 30 CEEDLO Cc1cc(C#N)cc(C)c1CC(=O)OCCn1cc[nH+]c1 ZINC000923591550 643773660 /nfs/dbraw/zinc/77/36/60/643773660.db2.gz FLUNDYQIYJXKOC-UHFFFAOYSA-N 1 2 283.331 2.158 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC000923592206 643774791 /nfs/dbraw/zinc/77/47/91/643774791.db2.gz RGZXBAWCFYXFRV-CYBMUJFWSA-N 1 2 288.416 2.064 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC000923592206 643774794 /nfs/dbraw/zinc/77/47/94/643774794.db2.gz RGZXBAWCFYXFRV-CYBMUJFWSA-N 1 2 288.416 2.064 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@]1(OC)CCOC1 ZINC000853479656 643783535 /nfs/dbraw/zinc/78/35/35/643783535.db2.gz NSFPGHZFQZLILX-MRXNPFEDSA-N 1 2 290.363 2.091 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CC[C@H](O)C1 ZINC000853527015 643802804 /nfs/dbraw/zinc/80/28/04/643802804.db2.gz HLHFTPDCYZNTNF-KGLIPLIRSA-N 1 2 274.364 2.447 20 30 CEEDLO C(=NOCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000853736373 643882438 /nfs/dbraw/zinc/88/24/38/643882438.db2.gz YXGSQEJWLGLHQW-UHFFFAOYSA-N 1 2 274.364 2.431 20 30 CEEDLO C=CCCCCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000838591466 643976725 /nfs/dbraw/zinc/97/67/25/643976725.db2.gz HTBYCYPMDXJDQY-UHFFFAOYSA-N 1 2 278.400 2.398 20 30 CEEDLO N#Cc1ccc(N2CC[NH+](Cc3cncc(F)c3)CC2)cc1 ZINC000877745097 650891981 /nfs/dbraw/zinc/89/19/81/650891981.db2.gz FKFBODXJJUNDSB-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C#C[C@@](C)(CC)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000854702658 644139876 /nfs/dbraw/zinc/13/98/76/644139876.db2.gz VRXKAOSGMUHOSH-SFHVURJKSA-N 1 2 295.386 2.392 20 30 CEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC000839168949 644178119 /nfs/dbraw/zinc/17/81/19/644178119.db2.gz OFPGOWIPWXYYCL-VWYCJHECSA-N 1 2 277.286 2.262 20 30 CEEDLO C#CC[C@@H]([NH2+][C@H](CC)Cc1ccc(C)cc1)C(=O)OC ZINC000839169412 644178387 /nfs/dbraw/zinc/17/83/87/644178387.db2.gz RCDOKPBSLSEHTH-HZPDHXFCSA-N 1 2 273.376 2.471 20 30 CEEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(=O)OC ZINC000839170157 644179569 /nfs/dbraw/zinc/17/95/69/644179569.db2.gz YLRULHVKWNFSTD-JYJNAYRXSA-N 1 2 271.360 2.477 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000854942020 644211798 /nfs/dbraw/zinc/21/17/98/644211798.db2.gz CJPNKRPUYSNSHP-AWEZNQCLSA-N 1 2 269.348 2.256 20 30 CEEDLO N#C[C@@H]1CCC[C@@H](OC(=O)CCCn2cc[nH+]c2)C1 ZINC000839445773 644232957 /nfs/dbraw/zinc/23/29/57/644232957.db2.gz UAJYGNUACJERQB-CHWSQXEVSA-N 1 2 261.325 2.289 20 30 CEEDLO Oc1c(Cl)cccc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753937002 644297266 /nfs/dbraw/zinc/29/72/66/644297266.db2.gz VDOQAKQKTOYAIQ-RYUDHWBXSA-N 1 2 292.770 2.240 20 30 CEEDLO CC(C)[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000113239971 644299737 /nfs/dbraw/zinc/29/97/37/644299737.db2.gz IUOGDONDDLIGOM-INIZCTEOSA-N 1 2 285.391 2.452 20 30 CEEDLO CC(C)[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000113239971 644299745 /nfs/dbraw/zinc/29/97/45/644299745.db2.gz IUOGDONDDLIGOM-INIZCTEOSA-N 1 2 285.391 2.452 20 30 CEEDLO C[C@H](C#N)C[N@H+](C[C@H](O)c1ccccc1F)C1CC1 ZINC000754370006 644363574 /nfs/dbraw/zinc/36/35/74/644363574.db2.gz ALJJFBZMAJXEIA-ABAIWWIYSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)c1ccccc1F)C1CC1 ZINC000754370006 644363580 /nfs/dbraw/zinc/36/35/80/644363580.db2.gz ALJJFBZMAJXEIA-ABAIWWIYSA-N 1 2 262.328 2.483 20 30 CEEDLO COC(=O)CC[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000877817822 650919746 /nfs/dbraw/zinc/91/97/46/650919746.db2.gz AQRPWNHUSOETHU-LLVKDONJSA-N 1 2 293.392 2.180 20 30 CEEDLO COC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000877817822 650919749 /nfs/dbraw/zinc/91/97/49/650919749.db2.gz AQRPWNHUSOETHU-LLVKDONJSA-N 1 2 293.392 2.180 20 30 CEEDLO C=CCCONC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000856036162 644551698 /nfs/dbraw/zinc/55/16/98/644551698.db2.gz TYNCBGGIEDOOOG-MRXNPFEDSA-N 1 2 288.391 2.490 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(F)c1 ZINC000877932425 650950855 /nfs/dbraw/zinc/95/08/55/650950855.db2.gz GIFGLFUACVLQCD-CYBMUJFWSA-N 1 2 251.301 2.375 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(F)c1 ZINC000877932425 650950857 /nfs/dbraw/zinc/95/08/57/650950857.db2.gz GIFGLFUACVLQCD-CYBMUJFWSA-N 1 2 251.301 2.375 20 30 CEEDLO N#Cc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000759634580 645055465 /nfs/dbraw/zinc/05/54/65/645055465.db2.gz TUAQFKSAVJHPNT-UHFFFAOYSA-N 1 2 295.327 2.453 20 30 CEEDLO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000878022528 650976540 /nfs/dbraw/zinc/97/65/40/650976540.db2.gz JXEBQCBGPJJPJS-ZYHUDNBSSA-N 1 2 263.341 2.285 20 30 CEEDLO C=CC[C@@H](C)[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000878022528 650976542 /nfs/dbraw/zinc/97/65/42/650976542.db2.gz JXEBQCBGPJJPJS-ZYHUDNBSSA-N 1 2 263.341 2.285 20 30 CEEDLO C#C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@@H]1CCCO1 ZINC000858406913 645147247 /nfs/dbraw/zinc/14/72/47/645147247.db2.gz ZIZGJVWZVXNIBY-TUAOUCFPSA-N 1 2 262.378 2.291 20 30 CEEDLO C#CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1CC)C(=O)OC ZINC000862392225 646434705 /nfs/dbraw/zinc/43/47/05/646434705.db2.gz KJEPEACDIBXMBP-MJBXVCDLSA-N 1 2 251.370 2.357 20 30 CEEDLO Clc1cnccc1NN=Cc1cccc2[nH+]ccn21 ZINC000771098429 646491070 /nfs/dbraw/zinc/49/10/70/646491070.db2.gz LDTNGCKJXGINDC-UHFFFAOYSA-N 1 2 271.711 2.251 20 30 CEEDLO NC(=[NH+]OCCOC1CCOCC1)c1ccc(Cl)cc1 ZINC000863454818 646728599 /nfs/dbraw/zinc/72/85/99/646728599.db2.gz MVAFRECCRNEGHI-UHFFFAOYSA-N 1 2 298.770 2.173 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)c1csc(C)n1)[C@H]1CCCO1 ZINC000775573579 646968296 /nfs/dbraw/zinc/96/82/96/646968296.db2.gz HWWUVAMQZBNJPW-SUZMYJTESA-N 1 2 250.367 2.283 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)[C@H]1CCCO1 ZINC000775788101 646992665 /nfs/dbraw/zinc/99/26/65/646992665.db2.gz CHFKVCOHRPZSMQ-WCQYABFASA-N 1 2 274.295 2.237 20 30 CEEDLO C[C@@H](CC#N)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776088068 647021001 /nfs/dbraw/zinc/02/10/01/647021001.db2.gz DKPYQCWYKYIAKJ-NSHDSACASA-N 1 2 255.277 2.331 20 30 CEEDLO CC[NH+]1CCN(c2c(Br)cccc2C#N)CC1 ZINC000865398572 647274219 /nfs/dbraw/zinc/27/42/19/647274219.db2.gz ZBOFBAFFPYOKSJ-UHFFFAOYSA-N 1 2 294.196 2.463 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cccnc1Br)[C@H]1CCCO1 ZINC000865532314 647343767 /nfs/dbraw/zinc/34/37/67/647343767.db2.gz YDODFBUPZVFHMG-VXGBXAGGSA-N 1 2 295.180 2.115 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cccnc1Br)[C@H]1CCCO1 ZINC000865532312 647344065 /nfs/dbraw/zinc/34/40/65/647344065.db2.gz YDODFBUPZVFHMG-NWDGAFQWSA-N 1 2 295.180 2.115 20 30 CEEDLO CC1(C#N)CC[NH+](Cn2c3ccccc3oc2=O)CC1 ZINC000779879597 647368012 /nfs/dbraw/zinc/36/80/12/647368012.db2.gz OHRYGSZBTKALSS-UHFFFAOYSA-N 1 2 271.320 2.178 20 30 CEEDLO Cc1c(Cl)cnn1C[NH+]1CCC(CC#N)CC1 ZINC000781572376 647538947 /nfs/dbraw/zinc/53/89/47/647538947.db2.gz RHPLHNDTWUENNV-UHFFFAOYSA-N 1 2 252.749 2.428 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782622371 647645991 /nfs/dbraw/zinc/64/59/91/647645991.db2.gz UMVIPCAIWSZCIO-OCCSQVGLSA-N 1 2 262.740 2.026 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782622371 647645995 /nfs/dbraw/zinc/64/59/95/647645995.db2.gz UMVIPCAIWSZCIO-OCCSQVGLSA-N 1 2 262.740 2.026 20 30 CEEDLO C[C@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C#N)c1O ZINC000866299980 647722907 /nfs/dbraw/zinc/72/29/07/647722907.db2.gz QJNFZPSLBWQVJB-IINYFYTJSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(C#N)c1O ZINC000866306932 647728245 /nfs/dbraw/zinc/72/82/45/647728245.db2.gz XKTXDAWHUWVIHV-GXFFZTMASA-N 1 2 282.347 2.195 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866348446 647749307 /nfs/dbraw/zinc/74/93/07/647749307.db2.gz RQRJSLDMANGWLW-DMDPSCGWSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(C#N)c1O ZINC000866366190 647758464 /nfs/dbraw/zinc/75/84/64/647758464.db2.gz YIIFAMNRSCEVAS-NHYWBVRUSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C#N)c1O ZINC000866369766 647760181 /nfs/dbraw/zinc/76/01/81/647760181.db2.gz OFSJEHHFDZWIRE-HZMBPMFUSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(C#N)c1O ZINC000866371352 647761034 /nfs/dbraw/zinc/76/10/34/647761034.db2.gz KCNCXMFFNABEGW-GXFFZTMASA-N 1 2 260.337 2.339 20 30 CEEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1=S ZINC000784011782 647786411 /nfs/dbraw/zinc/78/64/11/647786411.db2.gz YRWQFTTVUGICRV-LLVKDONJSA-N 1 2 281.429 2.321 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1=S ZINC000784011782 647786417 /nfs/dbraw/zinc/78/64/17/647786417.db2.gz YRWQFTTVUGICRV-LLVKDONJSA-N 1 2 281.429 2.321 20 30 CEEDLO COc1cc(Cl)cc(C=NNc2[nH+]ccn2C)c1O ZINC000790301943 648403509 /nfs/dbraw/zinc/40/35/09/648403509.db2.gz LDCLNGGPDYNLCL-UHFFFAOYSA-N 1 2 280.715 2.234 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000790302562 648405026 /nfs/dbraw/zinc/40/50/26/648405026.db2.gz VINDAYGLVMNTMH-UHFFFAOYSA-N 1 2 279.687 2.428 20 30 CEEDLO Cn1cc[nH+]c1CCCOC(=O)CCCCCC#N ZINC000805924044 648418147 /nfs/dbraw/zinc/41/81/47/648418147.db2.gz UIWIDLHFFDIONG-UHFFFAOYSA-N 1 2 263.341 2.370 20 30 CEEDLO O=C(C=Cc1c[nH+]c2ccccn12)c1cc[nH]c(=O)c1 ZINC000791430488 648524150 /nfs/dbraw/zinc/52/41/50/648524150.db2.gz BWEJNNMGMCUEJC-SNAWJCMRSA-N 1 2 265.272 2.331 20 30 CEEDLO N#CC1(C(=O)OCc2cc[nH+]c(N)c2)CCCCC1 ZINC000791775688 648565198 /nfs/dbraw/zinc/56/51/98/648565198.db2.gz DRHRVLFRFOJFNC-UHFFFAOYSA-N 1 2 259.309 2.181 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)/C=C/c1ccccc1C#N ZINC000793252350 648730901 /nfs/dbraw/zinc/73/09/01/648730901.db2.gz XPRMYGJWDNQAKC-VOTSOKGWSA-N 1 2 281.315 2.091 20 30 CEEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000794716269 648905897 /nfs/dbraw/zinc/90/58/97/648905897.db2.gz QVAUYUWNKSBNOI-ARJAWSKDSA-N 1 2 255.233 2.153 20 30 CEEDLO CCC[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(=O)OCC ZINC000871928833 649218604 /nfs/dbraw/zinc/21/86/04/649218604.db2.gz LVLXFBHXGTUWQX-HOTGVXAUSA-N 1 2 286.375 2.347 20 30 CEEDLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000872136736 649289036 /nfs/dbraw/zinc/28/90/36/649289036.db2.gz ONAHWLJAVGCYBP-QMMMGPOBSA-N 1 2 260.272 2.240 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1nc2c(o1)CCCC2 ZINC000878999667 651225677 /nfs/dbraw/zinc/22/56/77/651225677.db2.gz QAJOOUQLXKAEQZ-UHFFFAOYSA-N 1 2 262.353 2.025 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1nc2c(o1)CCCC2 ZINC000878999667 651225680 /nfs/dbraw/zinc/22/56/80/651225680.db2.gz QAJOOUQLXKAEQZ-UHFFFAOYSA-N 1 2 262.353 2.025 20 30 CEEDLO C[N@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCC[C@H]1C#N ZINC000879311267 651281932 /nfs/dbraw/zinc/28/19/32/651281932.db2.gz PNRHJTQFHBYBPY-LSDHHAIUSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCC[C@H]1C#N ZINC000879311267 651281935 /nfs/dbraw/zinc/28/19/35/651281935.db2.gz PNRHJTQFHBYBPY-LSDHHAIUSA-N 1 2 281.363 2.391 20 30 CEEDLO C[C@@]1(C(F)(F)F)C[N@H+](CCCSCC#N)CCO1 ZINC000879504837 651313509 /nfs/dbraw/zinc/31/35/09/651313509.db2.gz OWWJFGMWPOUITO-JTQLQIEISA-N 1 2 282.331 2.286 20 30 CEEDLO C[C@@]1(C(F)(F)F)C[N@@H+](CCCSCC#N)CCO1 ZINC000879504837 651313511 /nfs/dbraw/zinc/31/35/11/651313511.db2.gz OWWJFGMWPOUITO-JTQLQIEISA-N 1 2 282.331 2.286 20 30 CEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CF)C2)c(C#N)c1C ZINC000880297004 651418546 /nfs/dbraw/zinc/41/85/46/651418546.db2.gz INKIOFNBXJPEGZ-ZYHUDNBSSA-N 1 2 293.342 2.387 20 30 CEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CF)C2)c(C#N)c1C ZINC000880297004 651418548 /nfs/dbraw/zinc/41/85/48/651418548.db2.gz INKIOFNBXJPEGZ-ZYHUDNBSSA-N 1 2 293.342 2.387 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000880310257 651422071 /nfs/dbraw/zinc/42/20/71/651422071.db2.gz ZTHKGXHMVUHISU-NSHDSACASA-N 1 2 274.242 2.304 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000880310257 651422074 /nfs/dbraw/zinc/42/20/74/651422074.db2.gz ZTHKGXHMVUHISU-NSHDSACASA-N 1 2 274.242 2.304 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@H](c3nccs3)C2)n1 ZINC000880320867 651424393 /nfs/dbraw/zinc/42/43/93/651424393.db2.gz IFMLXMLOIZLMHF-VIFPVBQESA-N 1 2 276.390 2.461 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@H](c3nccs3)C2)n1 ZINC000880320867 651424394 /nfs/dbraw/zinc/42/43/94/651424394.db2.gz IFMLXMLOIZLMHF-VIFPVBQESA-N 1 2 276.390 2.461 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000880480572 651447685 /nfs/dbraw/zinc/44/76/85/651447685.db2.gz XTSIPKIVLIDEDR-GFCCVEGCSA-N 1 2 294.420 2.201 20 30 CEEDLO Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C#N)n1 ZINC000882279146 652016950 /nfs/dbraw/zinc/01/69/50/652016950.db2.gz CCQQBGCREBTEOB-CQSZACIVSA-N 1 2 280.331 2.314 20 30 CEEDLO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000883273237 652420338 /nfs/dbraw/zinc/42/03/38/652420338.db2.gz GYBCWGRRKLKUAJ-GVXVVHGQSA-N 1 2 260.337 2.339 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccsn2)[C@H]1CC ZINC001087617822 805762483 /nfs/dbraw/zinc/76/24/83/805762483.db2.gz NPSKOPOIKPJSEK-CMPLNLGQSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccsn2)[C@H]1CC ZINC001087617822 805762490 /nfs/dbraw/zinc/76/24/90/805762490.db2.gz NPSKOPOIKPJSEK-CMPLNLGQSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2conc2C)[C@H]1CC ZINC001087710096 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N#Cc1cccc2[nH]cc(C(=O)N[C@H]3CCn4c[nH+]cc43)c21 ZINC001168298881 806635379 /nfs/dbraw/zinc/63/53/79/806635379.db2.gz AKHASBMZWNOCDR-LBPRGKRZSA-N 1 2 291.314 2.111 20 30 CEEDLO C=CCCC(=O)NCC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001266262408 802330583 /nfs/dbraw/zinc/33/05/83/802330583.db2.gz NGDKRMITFPTLGN-UHFFFAOYSA-N 1 2 277.368 2.066 20 30 CEEDLO C=CCCC(=O)NCC[N@H+](C)Cc1cc(C2CC2)no1 ZINC001266262408 802330594 /nfs/dbraw/zinc/33/05/94/802330594.db2.gz NGDKRMITFPTLGN-UHFFFAOYSA-N 1 2 277.368 2.066 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001039068331 802478871 /nfs/dbraw/zinc/47/88/71/802478871.db2.gz SPWMUCFWNNCZCA-ZDUSSCGKSA-N 1 2 274.364 2.230 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001039068331 802478875 /nfs/dbraw/zinc/47/88/75/802478875.db2.gz SPWMUCFWNNCZCA-ZDUSSCGKSA-N 1 2 274.364 2.230 20 30 CEEDLO C#CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000754093022 802553444 /nfs/dbraw/zinc/55/34/44/802553444.db2.gz ZJUXKJPIEGRPGD-RHSMWYFYSA-N 1 2 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297.761 2.167 20 30 CEEDLO C=CCOCC[NH+]1CC(NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001268469422 804715063 /nfs/dbraw/zinc/71/50/63/804715063.db2.gz KZUJZOUTWOKDDK-CQSZACIVSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001269239839 805097406 /nfs/dbraw/zinc/09/74/06/805097406.db2.gz DYNLYBUSHMZUFO-ZDUSSCGKSA-N 1 2 291.395 2.276 20 30 CEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001269239839 805097415 /nfs/dbraw/zinc/09/74/15/805097415.db2.gz DYNLYBUSHMZUFO-ZDUSSCGKSA-N 1 2 291.395 2.276 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001269336426 805133903 /nfs/dbraw/zinc/13/39/03/805133903.db2.gz BYLCDWSLRKFWMD-HNNXBMFYSA-N 1 2 296.370 2.107 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1coc2cc(C)ccc12 ZINC001269336426 805133908 /nfs/dbraw/zinc/13/39/08/805133908.db2.gz BYLCDWSLRKFWMD-HNNXBMFYSA-N 1 2 296.370 2.107 20 30 CEEDLO Cc1cc(=O)[nH]c(OC2CC[NH+](C(C)C)CC2)c1C#N ZINC001226221982 805553323 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C=C(C)C[NH+]1CC(NC(=O)c2ccccc2OCC)C1 ZINC001031335486 807919053 /nfs/dbraw/zinc/91/90/53/807919053.db2.gz OZAMADPDIWLBPV-UHFFFAOYSA-N 1 2 274.364 2.075 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001031467163 807968846 /nfs/dbraw/zinc/96/88/46/807968846.db2.gz ADUOSBJDPUDDPT-QWHCGFSZSA-N 1 2 250.386 2.189 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC000699967777 807977482 /nfs/dbraw/zinc/97/74/82/807977482.db2.gz AWADVFRCQNNTAP-CQSZACIVSA-N 1 2 298.452 2.360 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC000699967777 807977485 /nfs/dbraw/zinc/97/74/85/807977485.db2.gz AWADVFRCQNNTAP-CQSZACIVSA-N 1 2 298.452 2.360 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001107797818 808529932 /nfs/dbraw/zinc/52/99/32/808529932.db2.gz GFTYREQXURQQJY-HOCLYGCPSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001107797818 808529938 /nfs/dbraw/zinc/52/99/38/808529938.db2.gz GFTYREQXURQQJY-HOCLYGCPSA-N 1 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CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001043590744 811389726 /nfs/dbraw/zinc/38/97/26/811389726.db2.gz NDUSRRDBFQVEFI-UHFFFAOYSA-N 1 2 261.369 2.080 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cc(F)ccc2F)C1 ZINC001043681662 811396785 /nfs/dbraw/zinc/39/67/85/811396785.db2.gz HKRPJSFCEGTMJO-UHFFFAOYSA-N 1 2 294.345 2.226 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001043681699 811397779 /nfs/dbraw/zinc/39/77/79/811397779.db2.gz INYQYNSTRLOOLS-UHFFFAOYSA-N 1 2 294.345 2.226 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(C)C)nc2C)C1 ZINC001043896879 811414417 /nfs/dbraw/zinc/41/44/17/811414417.db2.gz TYCPNTILONVGER-UHFFFAOYSA-N 1 2 299.418 2.293 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001044049698 811431060 /nfs/dbraw/zinc/43/10/60/811431060.db2.gz IALOUFKKFMTJJK-UHFFFAOYSA-N 1 2 298.390 2.204 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001044049698 811431065 /nfs/dbraw/zinc/43/10/65/811431065.db2.gz 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811726925 /nfs/dbraw/zinc/72/69/25/811726925.db2.gz OQVRZUQQGDHLHM-KWBADKCTSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046601180 811783263 /nfs/dbraw/zinc/78/32/63/811783263.db2.gz BDGZIHVZDCCLEV-HNNXBMFYSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046601180 811783266 /nfs/dbraw/zinc/78/32/66/811783266.db2.gz BDGZIHVZDCCLEV-HNNXBMFYSA-N 1 2 295.814 2.280 20 30 CEEDLO N#Cc1cccc(N)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672897 815476890 /nfs/dbraw/zinc/47/68/90/815476890.db2.gz ZYCOJMNBLPEGOZ-UHFFFAOYSA-N 1 2 294.358 2.061 20 30 CEEDLO N#Cc1cc(O)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212671226 815477700 /nfs/dbraw/zinc/47/77/00/815477700.db2.gz IEICUPZBPPDMFO-UHFFFAOYSA-N 1 2 295.342 2.184 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109184382 811832918 /nfs/dbraw/zinc/83/29/18/811832918.db2.gz YCXDCJPZSYRKBI-CHWSQXEVSA-N 1 2 290.411 2.328 20 30 CEEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109310946 811860399 /nfs/dbraw/zinc/86/03/99/811860399.db2.gz VLPASYOVOAXEET-RCWTZXSCSA-N 1 2 294.292 2.184 20 30 CEEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109310946 811860405 /nfs/dbraw/zinc/86/04/05/811860405.db2.gz VLPASYOVOAXEET-RCWTZXSCSA-N 1 2 294.292 2.184 20 30 CEEDLO C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001112867147 812090246 /nfs/dbraw/zinc/09/02/46/812090246.db2.gz FHHWLNZWLCZEGE-MNOVXSKESA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)CCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC001112901550 812108255 /nfs/dbraw/zinc/10/82/55/812108255.db2.gz SVINHBQRVASLDZ-UHFFFAOYSA-N 1 2 287.407 2.391 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113194595 812179602 /nfs/dbraw/zinc/17/96/02/812179602.db2.gz SNKYVNIHQTUHIO-NEPJUHHUSA-N 1 2 276.384 2.446 20 30 CEEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(C#N)CCC2)CC1 ZINC001172766186 815512831 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ZINC001050804855 812866720 /nfs/dbraw/zinc/86/67/20/812866720.db2.gz ZCOFKJLEVLWTEJ-INIZCTEOSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001050861183 812872030 /nfs/dbraw/zinc/87/20/30/812872030.db2.gz JHEJUIOCLWKGRA-CYBMUJFWSA-N 1 2 294.439 2.062 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001050861183 812872035 /nfs/dbraw/zinc/87/20/35/812872035.db2.gz JHEJUIOCLWKGRA-CYBMUJFWSA-N 1 2 294.439 2.062 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001051247275 812887972 /nfs/dbraw/zinc/88/79/72/812887972.db2.gz FBDSNIPWSRDBOW-MRXNPFEDSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001051247275 812887977 /nfs/dbraw/zinc/88/79/77/812887977.db2.gz FBDSNIPWSRDBOW-MRXNPFEDSA-N 1 2 292.423 2.126 20 30 CEEDLO C=C[C@@H](C(=O)NCCc1c[nH+]cn1C)c1ccccc1 ZINC001123783286 815557558 /nfs/dbraw/zinc/55/75/58/815557558.db2.gz PWWAPLXAVVQLHS-OAHLLOKOSA-N 1 2 269.348 2.049 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)CC#N)C1 ZINC001255177034 813025708 /nfs/dbraw/zinc/02/57/08/813025708.db2.gz LDDCEYBMOKENEJ-OLZOCXBDSA-N 1 2 265.357 2.055 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)CC#N)C1 ZINC001255177034 813025716 /nfs/dbraw/zinc/02/57/16/813025716.db2.gz LDDCEYBMOKENEJ-OLZOCXBDSA-N 1 2 265.357 2.055 20 30 CEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2ncc(CC)o2)CC1 ZINC001133369414 813040063 /nfs/dbraw/zinc/04/00/63/813040063.db2.gz WTKLXWORZSQRPB-UHFFFAOYSA-N 1 2 291.395 2.189 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001071279912 813337282 /nfs/dbraw/zinc/33/72/82/813337282.db2.gz ZBAUVHNPUDQGLT-GHMZBOCLSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001071279912 813337287 /nfs/dbraw/zinc/33/72/87/813337287.db2.gz ZBAUVHNPUDQGLT-GHMZBOCLSA-N 1 2 289.217 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC2)CC[C@H]1C ZINC001071292164 813350191 /nfs/dbraw/zinc/35/01/91/813350191.db2.gz VOVQOKDFRGCEFW-ZYHUDNBSSA-N 1 2 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345321396 /nfs/dbraw/zinc/32/13/96/345321396.db2.gz GKJODIWPCXNOKF-AWEZNQCLSA-N 1 2 271.320 2.414 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1nnc2n1CCCCC2 ZINC000591723751 345274960 /nfs/dbraw/zinc/27/49/60/345274960.db2.gz VFFWMTGCXNXWJQ-CHWSQXEVSA-N 1 2 286.383 2.099 20 30 CEEDLO Cc1cc(N[C@@H]2CCOC3(CCC3)C2)c(C#N)c[nH+]1 ZINC000591821612 345285045 /nfs/dbraw/zinc/28/50/45/345285045.db2.gz ZAHRNKLBIGJKAY-CYBMUJFWSA-N 1 2 257.337 2.197 20 30 CEEDLO CO[C@H](C[N@H+](CCC#N)Cc1cccnc1)C1CC1 ZINC000591845246 345287636 /nfs/dbraw/zinc/28/76/36/345287636.db2.gz XMCXWOOPOVDBIO-OAHLLOKOSA-N 1 2 259.353 2.222 20 30 CEEDLO CO[C@H](C[N@@H+](CCC#N)Cc1cccnc1)C1CC1 ZINC000591845246 345287637 /nfs/dbraw/zinc/28/76/37/345287637.db2.gz XMCXWOOPOVDBIO-OAHLLOKOSA-N 1 2 259.353 2.222 20 30 CEEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000591849894 345287984 /nfs/dbraw/zinc/28/79/84/345287984.db2.gz GUTNVBBWTKIORW-ZJUUUORDSA-N 1 2 266.366 2.382 20 30 CEEDLO 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/nfs/dbraw/zinc/47/18/54/345471854.db2.gz HQZGMKCLKYHMRB-LBPRGKRZSA-N 1 2 280.331 2.248 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C2(CCC2)CO1 ZINC000593679668 345520079 /nfs/dbraw/zinc/52/00/79/345520079.db2.gz OTOQUJIREBWEKM-CYBMUJFWSA-N 1 2 296.374 2.349 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C2(CCC2)CO1 ZINC000593679668 345520080 /nfs/dbraw/zinc/52/00/80/345520080.db2.gz OTOQUJIREBWEKM-CYBMUJFWSA-N 1 2 296.374 2.349 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1nccc(N)n1)c1cccc(C#N)c1 ZINC000593973710 345558547 /nfs/dbraw/zinc/55/85/47/345558547.db2.gz VDRBDBKKSYWZIA-GHMZBOCLSA-N 1 2 267.336 2.173 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000594006506 345564780 /nfs/dbraw/zinc/56/47/80/345564780.db2.gz CQPQAIOUPQOHGQ-VIFPVBQESA-N 1 2 273.296 2.253 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000594009495 345565375 /nfs/dbraw/zinc/56/53/75/345565375.db2.gz WPUVNZZWYSDSQO-OCCSQVGLSA-N 1 2 257.337 2.074 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000594348058 345615250 /nfs/dbraw/zinc/61/52/50/345615250.db2.gz PJHBXWDNTOEJKF-BDJLRTHQSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000594348058 345615251 /nfs/dbraw/zinc/61/52/51/345615251.db2.gz PJHBXWDNTOEJKF-BDJLRTHQSA-N 1 2 294.358 2.264 20 30 CEEDLO N#CC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000057879712 362599204 /nfs/dbraw/zinc/59/92/04/362599204.db2.gz VKDNLRYTGAGXTO-UHFFFAOYSA-N 1 2 279.290 2.139 20 30 CEEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000057873131 362599491 /nfs/dbraw/zinc/59/94/91/362599491.db2.gz KXDLOTOQNWRUMS-UHFFFAOYSA-N 1 2 297.811 2.253 20 30 CEEDLO C=CCCSCCNc1[nH+]cnc2c1cnn2C ZINC000594661261 345669050 /nfs/dbraw/zinc/66/90/50/345669050.db2.gz XUHURJWGRXUVRX-UHFFFAOYSA-N 1 2 263.370 2.085 20 30 CEEDLO N#CC1(c2ccc(C[NH2+]Cc3ccn[nH]3)cc2)CC1 ZINC000594927108 345704873 /nfs/dbraw/zinc/70/48/73/345704873.db2.gz UUAPJGMPZADVTF-UHFFFAOYSA-N 1 2 252.321 2.255 20 30 CEEDLO COc1cccc(OC)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000594968125 345719149 /nfs/dbraw/zinc/71/91/49/345719149.db2.gz OKDGFEDYBICIQS-UHFFFAOYSA-N 1 2 272.304 2.458 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595530597 345803808 /nfs/dbraw/zinc/80/38/08/345803808.db2.gz SQXUPZYEZAYLBB-NSHDSACASA-N 1 2 286.335 2.131 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cn2cc(C)ccc2[nH+]1)C(C)(C)C ZINC000288252958 539491341 /nfs/dbraw/zinc/49/13/41/539491341.db2.gz BUNGGNQLXYAIIQ-CQSZACIVSA-N 1 2 298.390 2.490 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595680621 345847250 /nfs/dbraw/zinc/84/72/50/345847250.db2.gz PBMATFNDKBQWMF-CQSZACIVSA-N 1 2 263.337 2.417 20 30 CEEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595680621 345847254 /nfs/dbraw/zinc/84/72/54/345847254.db2.gz PBMATFNDKBQWMF-CQSZACIVSA-N 1 2 263.337 2.417 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000595614758 345828165 /nfs/dbraw/zinc/82/81/65/345828165.db2.gz NQOGNPKWWRCYIL-SECBINFHSA-N 1 2 288.273 2.300 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000595614758 345828167 /nfs/dbraw/zinc/82/81/67/345828167.db2.gz NQOGNPKWWRCYIL-SECBINFHSA-N 1 2 288.273 2.300 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000595623123 345830752 /nfs/dbraw/zinc/83/07/52/345830752.db2.gz IESWMWJRBIXGCV-CQSZACIVSA-N 1 2 281.363 2.393 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000595623123 345830756 /nfs/dbraw/zinc/83/07/56/345830756.db2.gz IESWMWJRBIXGCV-CQSZACIVSA-N 1 2 281.363 2.393 20 30 CEEDLO Cc1cccn2cc(CN3CC[C@](C)(C#N)C3)[nH+]c12 ZINC000595832608 345889015 /nfs/dbraw/zinc/88/90/15/345889015.db2.gz CICMFRFNZAWBSV-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1ccc2[nH+]c(CN3CC[C@](C)(C#N)C3)cn2c1 ZINC000595833316 345890129 /nfs/dbraw/zinc/89/01/29/345890129.db2.gz GKCAIQGCUSNPTQ-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833010 345890265 /nfs/dbraw/zinc/89/02/65/345890265.db2.gz DWLGVOHYXBIGKW-CJNGLKHVSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833010 345890267 /nfs/dbraw/zinc/89/02/67/345890267.db2.gz DWLGVOHYXBIGKW-CJNGLKHVSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834502 345891614 /nfs/dbraw/zinc/89/16/14/345891614.db2.gz JTNDCYXIRXQFSI-PBHICJAKSA-N 1 2 285.391 2.442 20 30 CEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834502 345891616 /nfs/dbraw/zinc/89/16/16/345891616.db2.gz JTNDCYXIRXQFSI-PBHICJAKSA-N 1 2 285.391 2.442 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000595838524 345893712 /nfs/dbraw/zinc/89/37/12/345893712.db2.gz VYSNZXWUWALQRZ-INIZCTEOSA-N 1 2 275.396 2.156 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000595838524 345893715 /nfs/dbraw/zinc/89/37/15/345893715.db2.gz VYSNZXWUWALQRZ-INIZCTEOSA-N 1 2 275.396 2.156 20 30 CEEDLO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838124 345893776 /nfs/dbraw/zinc/89/37/76/345893776.db2.gz RDXWJDRJPBXPPZ-INIZCTEOSA-N 1 2 277.412 2.261 20 30 CEEDLO CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838124 345893778 /nfs/dbraw/zinc/89/37/78/345893778.db2.gz RDXWJDRJPBXPPZ-INIZCTEOSA-N 1 2 277.412 2.261 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000595838447 345893944 /nfs/dbraw/zinc/89/39/44/345893944.db2.gz ULFJIBLKHBDWHI-ZDUSSCGKSA-N 1 2 264.350 2.270 20 30 CEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000595838447 345893949 /nfs/dbraw/zinc/89/39/49/345893949.db2.gz ULFJIBLKHBDWHI-ZDUSSCGKSA-N 1 2 264.350 2.270 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)C#N ZINC000595813595 345882779 /nfs/dbraw/zinc/88/27/79/345882779.db2.gz WFGRPLWQZHDKIW-JTQLQIEISA-N 1 2 276.365 2.182 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)C#N ZINC000595813595 345882781 /nfs/dbraw/zinc/88/27/81/345882781.db2.gz WFGRPLWQZHDKIW-JTQLQIEISA-N 1 2 276.365 2.182 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)c1cccnc1 ZINC000595844171 345897143 /nfs/dbraw/zinc/89/71/43/345897143.db2.gz BLOTWSRUWBKVRJ-ZNMIVQPWSA-N 1 2 272.348 2.479 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1cccnc1 ZINC000595844171 345897146 /nfs/dbraw/zinc/89/71/46/345897146.db2.gz BLOTWSRUWBKVRJ-ZNMIVQPWSA-N 1 2 272.348 2.479 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2nccnc2C1 ZINC000595864763 345901184 /nfs/dbraw/zinc/90/11/84/345901184.db2.gz SGOYYPJNOBXWSS-LBPRGKRZSA-N 1 2 264.332 2.468 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2nccnc2C1 ZINC000595864763 345901187 /nfs/dbraw/zinc/90/11/87/345901187.db2.gz SGOYYPJNOBXWSS-LBPRGKRZSA-N 1 2 264.332 2.468 20 30 CEEDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596077915 345934943 /nfs/dbraw/zinc/93/49/43/345934943.db2.gz DXJCHANJOCMHHZ-LLVKDONJSA-N 1 2 285.307 2.472 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596430355 346021918 /nfs/dbraw/zinc/02/19/18/346021918.db2.gz LXDKLMJJNGBJFS-WDEREUQCSA-N 1 2 294.786 2.128 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596430355 346021919 /nfs/dbraw/zinc/02/19/19/346021919.db2.gz LXDKLMJJNGBJFS-WDEREUQCSA-N 1 2 294.786 2.128 20 30 CEEDLO CCOC(=O)[C@]1(C)CCC[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000596551021 346052718 /nfs/dbraw/zinc/05/27/18/346052718.db2.gz JWJQABDIZICPEU-GOEBONIOSA-N 1 2 287.363 2.217 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597177631 346142157 /nfs/dbraw/zinc/14/21/57/346142157.db2.gz QTGDUHQQOXVLGF-LBPRGKRZSA-N 1 2 259.357 2.129 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597177631 346142161 /nfs/dbraw/zinc/14/21/61/346142161.db2.gz QTGDUHQQOXVLGF-LBPRGKRZSA-N 1 2 259.357 2.129 20 30 CEEDLO Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000597080879 346125492 /nfs/dbraw/zinc/12/54/92/346125492.db2.gz VKDBBUKLAHVRCA-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000597080879 346125494 /nfs/dbraw/zinc/12/54/94/346125494.db2.gz VKDBBUKLAHVRCA-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000597310940 346170071 /nfs/dbraw/zinc/17/00/71/346170071.db2.gz RVWOITOABZTPBX-UKRRQHHQSA-N 1 2 296.374 2.370 20 30 CEEDLO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231124 346155846 /nfs/dbraw/zinc/15/58/46/346155846.db2.gz KVUPJAHCXHCPKK-MRXNPFEDSA-N 1 2 271.364 2.124 20 30 CEEDLO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231124 346155849 /nfs/dbraw/zinc/15/58/49/346155849.db2.gz KVUPJAHCXHCPKK-MRXNPFEDSA-N 1 2 271.364 2.124 20 30 CEEDLO Cc1cccc2[nH+]cc(CN3CC[C@@](C)(C#N)C3)n21 ZINC000597230849 346155868 /nfs/dbraw/zinc/15/58/68/346155868.db2.gz UHAVWTQJNCIFLX-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1cccc2ncc(C[N@@H+]3CC[C@@](C)(C#N)C3)n21 ZINC000597230849 346155870 /nfs/dbraw/zinc/15/58/70/346155870.db2.gz UHAVWTQJNCIFLX-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1cccc2ncc(C[N@H+]3CC[C@@](C)(C#N)C3)n21 ZINC000597230849 346155872 /nfs/dbraw/zinc/15/58/72/346155872.db2.gz UHAVWTQJNCIFLX-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597606493 346207185 /nfs/dbraw/zinc/20/71/85/346207185.db2.gz XOTVBRJBGITFLM-VXGBXAGGSA-N 1 2 295.346 2.076 20 30 CEEDLO C[C@H](CC#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000597491083 346193324 /nfs/dbraw/zinc/19/33/24/346193324.db2.gz FTHZTPCWLHLXGD-CQSZACIVSA-N 1 2 288.395 2.452 20 30 CEEDLO Cc1c(Cl)cnc(NC[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000273279700 192098523 /nfs/dbraw/zinc/09/85/23/192098523.db2.gz DDXQVKMDWNUQCH-SNVBAGLBSA-N 1 2 294.786 2.048 20 30 CEEDLO N#CCc1cccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000597751419 346225940 /nfs/dbraw/zinc/22/59/40/346225940.db2.gz MRXOBYGJMLMPGS-LBPRGKRZSA-N 1 2 280.331 2.219 20 30 CEEDLO N#CCc1cccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000597751419 346225943 /nfs/dbraw/zinc/22/59/43/346225943.db2.gz MRXOBYGJMLMPGS-LBPRGKRZSA-N 1 2 280.331 2.219 20 30 CEEDLO N#CC1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000060642011 362667829 /nfs/dbraw/zinc/66/78/29/362667829.db2.gz BNNQAYPKVDPCOM-UHFFFAOYSA-N 1 2 294.358 2.498 20 30 CEEDLO C[C@H](C#N)N(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000598126242 346293360 /nfs/dbraw/zinc/29/33/60/346293360.db2.gz SPTHCRFBYTVLLV-GFCCVEGCSA-N 1 2 280.331 2.389 20 30 CEEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)C#N ZINC000598348809 346333923 /nfs/dbraw/zinc/33/39/23/346333923.db2.gz CPHHEJBIVGOESU-GFCCVEGCSA-N 1 2 268.320 2.246 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000598465287 346361186 /nfs/dbraw/zinc/36/11/86/346361186.db2.gz PGFSAKLZCZRPNY-TUKIKUTGSA-N 1 2 294.358 2.273 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591140 346378584 /nfs/dbraw/zinc/37/85/84/346378584.db2.gz UHEJZTMSUZOQJM-RYUDHWBXSA-N 1 2 292.383 2.070 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591140 346378587 /nfs/dbraw/zinc/37/85/87/346378587.db2.gz UHEJZTMSUZOQJM-RYUDHWBXSA-N 1 2 292.383 2.070 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C(F)F)ccc1F ZINC000598837843 346425925 /nfs/dbraw/zinc/42/59/25/346425925.db2.gz YRTQTUCLRNPWFI-CQSZACIVSA-N 1 2 299.296 2.337 20 30 CEEDLO Cc1cc[nH+]c([C@@H]2CCN(c3nc(C)cc(C#N)n3)C2)c1 ZINC000599104121 346460480 /nfs/dbraw/zinc/46/04/80/346460480.db2.gz ZXOLKGMTAFOLOM-CYBMUJFWSA-N 1 2 279.347 2.354 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@](=O)CC2(C)C)cc1C#N ZINC000599380389 346510898 /nfs/dbraw/zinc/51/08/98/346510898.db2.gz SVMBFSKGPPJRFS-IBGZPJMESA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@](=O)CC2(C)C)cc1C#N ZINC000599380389 346510901 /nfs/dbraw/zinc/51/09/01/346510901.db2.gz SVMBFSKGPPJRFS-IBGZPJMESA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1C#N ZINC000599292297 346492572 /nfs/dbraw/zinc/49/25/72/346492572.db2.gz AQNZGRUXQMPPJM-STQMWFEESA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1C#N ZINC000599292297 346492574 /nfs/dbraw/zinc/49/25/74/346492574.db2.gz AQNZGRUXQMPPJM-STQMWFEESA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1ccc(C[N@H+](C)Cc2nnc3n2CCC3)cc1C#N ZINC000599315079 346497592 /nfs/dbraw/zinc/49/75/92/346497592.db2.gz IQZLLDDEOUJBEA-UHFFFAOYSA-N 1 2 281.363 2.036 20 30 CEEDLO Cc1ccc(C[N@@H+](C)Cc2nnc3n2CCC3)cc1C#N ZINC000599315079 346497594 /nfs/dbraw/zinc/49/75/94/346497594.db2.gz IQZLLDDEOUJBEA-UHFFFAOYSA-N 1 2 281.363 2.036 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599323457 346499318 /nfs/dbraw/zinc/49/93/18/346499318.db2.gz ZIVURNWAQKKXEG-ZDUSSCGKSA-N 1 2 274.368 2.377 20 30 CEEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668544 346559590 /nfs/dbraw/zinc/55/95/90/346559590.db2.gz LCUNWSPPZFXSCR-XJKSGUPXSA-N 1 2 297.358 2.202 20 30 CEEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668544 346559591 /nfs/dbraw/zinc/55/95/91/346559591.db2.gz 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348990110 /nfs/dbraw/zinc/99/01/10/348990110.db2.gz XYYHLPVSPYZXOV-UHFFFAOYSA-N 1 2 257.337 2.229 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(C#N)c(C)c1 ZINC000618593671 348990114 /nfs/dbraw/zinc/99/01/14/348990114.db2.gz XYYHLPVSPYZXOV-UHFFFAOYSA-N 1 2 257.337 2.229 20 30 CEEDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000619438176 349181836 /nfs/dbraw/zinc/18/18/36/349181836.db2.gz ZYZVBNYEPLCBQU-GFCCVEGCSA-N 1 2 282.347 2.102 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000619715708 349226548 /nfs/dbraw/zinc/22/65/48/349226548.db2.gz BLZJJHJKHNPABJ-OAHLLOKOSA-N 1 2 275.348 2.299 20 30 CEEDLO C=CCC[C@@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000624083362 350187537 /nfs/dbraw/zinc/18/75/37/350187537.db2.gz MGYPPDWLGXVRQS-GFCCVEGCSA-N 1 2 273.384 2.187 20 30 CEEDLO CCOC(=O)C[N@H+](CCCC#N)CCc1ccccc1 ZINC000111323074 186397342 /nfs/dbraw/zinc/39/73/42/186397342.db2.gz UVNURHQVQPMXKT-UHFFFAOYSA-N 1 2 274.364 2.398 20 30 CEEDLO CCOC(=O)C[N@@H+](CCCC#N)CCc1ccccc1 ZINC000111323074 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Cn1cc[nH+]c1[C@@H]1N(Cc2cc(C#N)n(C)c2)CC1(C)C ZINC000294878834 199227388 /nfs/dbraw/zinc/22/73/88/199227388.db2.gz VIOKHBSPZFYEGC-AWEZNQCLSA-N 1 2 283.379 2.213 20 30 CEEDLO N#CCc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000578234253 366466074 /nfs/dbraw/zinc/46/60/74/366466074.db2.gz RTBHZOOVDCUXRR-UHFFFAOYSA-N 1 2 293.374 2.399 20 30 CEEDLO N#CCc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000578234253 366466078 /nfs/dbraw/zinc/46/60/78/366466078.db2.gz RTBHZOOVDCUXRR-UHFFFAOYSA-N 1 2 293.374 2.399 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000578664339 366530048 /nfs/dbraw/zinc/53/00/48/366530048.db2.gz KDUNVJLKUYKTQY-VIFPVBQESA-N 1 2 260.263 2.221 20 30 CEEDLO N#CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000146917522 366574035 /nfs/dbraw/zinc/57/40/35/366574035.db2.gz FDEXZFCUDVRLBE-UHFFFAOYSA-N 1 2 280.331 2.248 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000180766228 189273846 /nfs/dbraw/zinc/27/38/46/189273846.db2.gz HNHUIZFRQFKCGM-GFCCVEGCSA-N 1 2 264.350 2.147 20 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255.325 2.089 20 30 CEEDLO CCC[N@@H+](Cc1cnn[nH]1)Cc1ccc(C#N)cc1 ZINC000340283700 366834537 /nfs/dbraw/zinc/83/45/37/366834537.db2.gz OOJNCRHBAGMEEX-UHFFFAOYSA-N 1 2 255.325 2.089 20 30 CEEDLO CCC[N@H+](Cc1c[nH]nn1)Cc1ccc(C#N)cc1 ZINC000340283700 366834540 /nfs/dbraw/zinc/83/45/40/366834540.db2.gz OOJNCRHBAGMEEX-UHFFFAOYSA-N 1 2 255.325 2.089 20 30 CEEDLO CCC[N@@H+](Cc1c[nH]nn1)Cc1ccc(C#N)cc1 ZINC000340283700 366834541 /nfs/dbraw/zinc/83/45/41/366834541.db2.gz OOJNCRHBAGMEEX-UHFFFAOYSA-N 1 2 255.325 2.089 20 30 CEEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1 ZINC000157650011 366846914 /nfs/dbraw/zinc/84/69/14/366846914.db2.gz XHLJXXRRAPGPOH-UHFFFAOYSA-N 1 2 259.353 2.497 20 30 CEEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1 ZINC000157650011 366846919 /nfs/dbraw/zinc/84/69/19/366846919.db2.gz XHLJXXRRAPGPOH-UHFFFAOYSA-N 1 2 259.353 2.497 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)C1CCCCC1)C[C@@H](C)C#N ZINC000157641624 366846961 /nfs/dbraw/zinc/84/69/61/366846961.db2.gz LUCFCKPBDOWJMZ-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[N@H+](CC(=O)N(C)C1CCCCC1)C[C@@H](C)C#N ZINC000157641624 366846967 /nfs/dbraw/zinc/84/69/67/366846967.db2.gz LUCFCKPBDOWJMZ-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1cc(C#N)ncn1 ZINC000572084075 299344215 /nfs/dbraw/zinc/34/42/15/299344215.db2.gz MFVVFMYFEPNMMP-ZDUSSCGKSA-N 1 2 282.351 2.296 20 30 CEEDLO CC[N@H+](CC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102398258 364594426 /nfs/dbraw/zinc/59/44/26/364594426.db2.gz VWFCWGKWUSXCPJ-UHFFFAOYSA-N 1 2 281.400 2.479 20 30 CEEDLO CC[N@@H+](CC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102398258 364594430 /nfs/dbraw/zinc/59/44/30/364594430.db2.gz VWFCWGKWUSXCPJ-UHFFFAOYSA-N 1 2 281.400 2.479 20 30 CEEDLO CC(C)Oc1ccccc1C[NH+]1CCN(CC#N)CC1 ZINC000104090628 364675753 /nfs/dbraw/zinc/67/57/53/364675753.db2.gz UIHIADVKFLRXGV-UHFFFAOYSA-N 1 2 273.380 2.115 20 30 CEEDLO CC[C@@H](C#N)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000104353947 364694471 /nfs/dbraw/zinc/69/44/71/364694471.db2.gz ILDJQNXYBXBLHG-GPAKFWEMSA-N 1 2 280.331 2.304 20 30 CEEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cs1 ZINC000112547007 364813974 /nfs/dbraw/zinc/81/39/74/364813974.db2.gz AEILXAIAOVRZKW-QWRGUYRKSA-N 1 2 294.424 2.117 20 30 CEEDLO N#Cc1cc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000336004760 365278390 /nfs/dbraw/zinc/27/83/90/365278390.db2.gz XMLIKVKDMMZAAR-LLVKDONJSA-N 1 2 299.309 2.099 20 30 CEEDLO N#Cc1cc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000336004760 365278398 /nfs/dbraw/zinc/27/83/98/365278398.db2.gz XMLIKVKDMMZAAR-LLVKDONJSA-N 1 2 299.309 2.099 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336005293 365278616 /nfs/dbraw/zinc/27/86/16/365278616.db2.gz NSPJTLLVAWGMMC-LBPRGKRZSA-N 1 2 295.346 2.269 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336005293 365278617 /nfs/dbraw/zinc/27/86/17/365278617.db2.gz NSPJTLLVAWGMMC-LBPRGKRZSA-N 1 2 295.346 2.269 20 30 CEEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000336050971 365341191 /nfs/dbraw/zinc/34/11/91/365341191.db2.gz BTHCZGUEARDKGR-ZDUSSCGKSA-N 1 2 280.331 2.018 20 30 CEEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)cc1 ZINC000336050971 365341197 /nfs/dbraw/zinc/34/11/97/365341197.db2.gz BTHCZGUEARDKGR-ZDUSSCGKSA-N 1 2 280.331 2.018 20 30 CEEDLO C[C@H]1[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCOC1(C)C ZINC000582609543 366934428 /nfs/dbraw/zinc/93/44/28/366934428.db2.gz MLCGUMAOGGIQCW-LLVKDONJSA-N 1 2 289.335 2.466 20 30 CEEDLO C[C@H]1[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCOC1(C)C ZINC000582609543 366934432 /nfs/dbraw/zinc/93/44/32/366934432.db2.gz MLCGUMAOGGIQCW-LLVKDONJSA-N 1 2 289.335 2.466 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000160464038 367008157 /nfs/dbraw/zinc/00/81/57/367008157.db2.gz GXJKYIOEQIJPPZ-UHFFFAOYSA-N 1 2 294.757 2.260 20 30 CEEDLO C[N@H+](Cc1cnccn1)Cc1cccc(C#N)c1F ZINC000340897432 367079512 /nfs/dbraw/zinc/07/95/12/367079512.db2.gz IURNZGCTRAORIC-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C[N@@H+](Cc1cnccn1)Cc1cccc(C#N)c1F ZINC000340897432 367079517 /nfs/dbraw/zinc/07/95/17/367079517.db2.gz IURNZGCTRAORIC-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C[C@H]1CC[N@H+](CCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583319644 367032021 /nfs/dbraw/zinc/03/20/21/367032021.db2.gz AAIPSQYDLASJCA-RYUDHWBXSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@H]1CC[N@@H+](CCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583319644 367032026 /nfs/dbraw/zinc/03/20/26/367032026.db2.gz AAIPSQYDLASJCA-RYUDHWBXSA-N 1 2 252.358 2.200 20 30 CEEDLO CCO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)CCC#N)n1 ZINC000583874867 367109210 /nfs/dbraw/zinc/10/92/10/367109210.db2.gz NEHUSLKFKXZUAX-QWRGUYRKSA-N 1 2 266.345 2.291 20 30 CEEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)CCC#N)n1 ZINC000583874867 367109214 /nfs/dbraw/zinc/10/92/14/367109214.db2.gz NEHUSLKFKXZUAX-QWRGUYRKSA-N 1 2 266.345 2.291 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3cc(C#N)ccn3)ccc2n1C ZINC000588622675 367195014 /nfs/dbraw/zinc/19/50/14/367195014.db2.gz PJACEGDOTFIAQQ-UHFFFAOYSA-N 1 2 291.314 2.401 20 30 CEEDLO N#CCN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C1CC1 ZINC000601015253 367214810 /nfs/dbraw/zinc/21/48/10/367214810.db2.gz HPXHZUKWTBKVAL-UHFFFAOYSA-N 1 2 266.304 2.205 20 30 CEEDLO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602865633 367217711 /nfs/dbraw/zinc/21/77/11/367217711.db2.gz XAKFTSBYLFHVGR-QWHCGFSZSA-N 1 2 259.353 2.320 20 30 CEEDLO C=CCC[N@@H+](C)Cc1csc(C(=O)OCC)n1 ZINC000615636081 367230626 /nfs/dbraw/zinc/23/06/26/367230626.db2.gz RHUNSOJJMKWWTK-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C=CCC[N@H+](C)Cc1csc(C(=O)OCC)n1 ZINC000615636081 367230630 /nfs/dbraw/zinc/23/06/30/367230630.db2.gz RHUNSOJJMKWWTK-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO COc1cc(OC)c2ncc(C#N)c(-n3cc[nH+]c3)c2c1 ZINC000341348834 367297745 /nfs/dbraw/zinc/29/77/45/367297745.db2.gz MDZXINQJHBSDJC-UHFFFAOYSA-N 1 2 280.287 2.309 20 30 CEEDLO CC(C)n1ccc(CO[NH+]=C(N)COc2ccccc2)n1 ZINC000172330401 367719331 /nfs/dbraw/zinc/71/93/31/367719331.db2.gz XEPZFXOROZVEHS-UHFFFAOYSA-N 1 2 288.351 2.332 20 30 CEEDLO C=CC[C@H](C)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000345085510 368150544 /nfs/dbraw/zinc/15/05/44/368150544.db2.gz XBJXALDWYPEWJX-RDBSUJKOSA-N 1 2 273.380 2.235 20 30 CEEDLO Cc1cn2cc(NC(=O)NCCCC#N)ccc2[nH+]1 ZINC000345295879 368225618 /nfs/dbraw/zinc/22/56/18/368225618.db2.gz KFKTXCSSCBZQNG-UHFFFAOYSA-N 1 2 257.297 2.068 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C(F)(F)F ZINC000181663008 368479885 /nfs/dbraw/zinc/47/98/85/368479885.db2.gz CTJZCBFODVDDPC-ZDUSSCGKSA-N 1 2 284.281 2.469 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C(F)(F)F ZINC000181663008 368479889 /nfs/dbraw/zinc/47/98/89/368479889.db2.gz CTJZCBFODVDDPC-ZDUSSCGKSA-N 1 2 284.281 2.469 20 30 CEEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000185276886 368780065 /nfs/dbraw/zinc/78/00/65/368780065.db2.gz WREDQQDQFWZRKC-LBPRGKRZSA-N 1 2 299.403 2.293 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccccc1SC ZINC000348329775 369005936 /nfs/dbraw/zinc/00/59/36/369005936.db2.gz WEJNIDRCTGRGRI-UHFFFAOYSA-N 1 2 264.394 2.143 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)Cc1ccccc1SC ZINC000348329775 369005938 /nfs/dbraw/zinc/00/59/38/369005938.db2.gz WEJNIDRCTGRGRI-UHFFFAOYSA-N 1 2 264.394 2.143 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CO)CC1 ZINC000186660988 369014185 /nfs/dbraw/zinc/01/41/85/369014185.db2.gz QWVCCSCOMHDPLY-UHFFFAOYSA-N 1 2 264.756 2.416 20 30 CEEDLO CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186519980 368987528 /nfs/dbraw/zinc/98/75/28/368987528.db2.gz ZHIMGKSYPICWPL-UHFFFAOYSA-N 1 2 291.782 2.170 20 30 CEEDLO C=C(C)CN(Cc1ccc(CO)o1)Cc1[nH+]cc(C)n1C ZINC000348632506 369105837 /nfs/dbraw/zinc/10/58/37/369105837.db2.gz IGMPJTZRCCHGQE-UHFFFAOYSA-N 1 2 289.379 2.392 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000187354035 369143150 /nfs/dbraw/zinc/14/31/50/369143150.db2.gz NJWTZASJGNSUIQ-QGZVFWFLSA-N 1 2 288.366 2.168 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000187354035 369143154 /nfs/dbraw/zinc/14/31/54/369143154.db2.gz NJWTZASJGNSUIQ-QGZVFWFLSA-N 1 2 288.366 2.168 20 30 CEEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187480246 369166176 /nfs/dbraw/zinc/16/61/76/369166176.db2.gz CCHNYFPWDLJCGR-MGNBDDOMSA-N 1 2 284.812 2.410 20 30 CEEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187480246 369166181 /nfs/dbraw/zinc/16/61/81/369166181.db2.gz CCHNYFPWDLJCGR-MGNBDDOMSA-N 1 2 284.812 2.410 20 30 CEEDLO C=C(C)CN(C)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635774851 369335204 /nfs/dbraw/zinc/33/52/04/369335204.db2.gz QSIFOTYZQTWZPX-INIZCTEOSA-N 1 2 288.391 2.304 20 30 CEEDLO C=C(C)CN(C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635774851 369335211 /nfs/dbraw/zinc/33/52/11/369335211.db2.gz QSIFOTYZQTWZPX-INIZCTEOSA-N 1 2 288.391 2.304 20 30 CEEDLO N#CCC1(O)C[NH+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000190980735 369666841 /nfs/dbraw/zinc/66/68/41/369666841.db2.gz JFYHTBAKMFBBHQ-UHFFFAOYSA-N 1 2 279.343 2.209 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000191107629 369679197 /nfs/dbraw/zinc/67/91/97/369679197.db2.gz JKUXSKCIYGOOPE-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000191107629 369679201 /nfs/dbraw/zinc/67/92/01/369679201.db2.gz JKUXSKCIYGOOPE-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000191135791 369683512 /nfs/dbraw/zinc/68/35/12/369683512.db2.gz JJRXZADWLBTAGK-OAHLLOKOSA-N 1 2 292.354 2.065 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000191135791 369683514 /nfs/dbraw/zinc/68/35/14/369683514.db2.gz JJRXZADWLBTAGK-OAHLLOKOSA-N 1 2 292.354 2.065 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192225896 369782105 /nfs/dbraw/zinc/78/21/05/369782105.db2.gz JNKJEGNHBGQPTK-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192225896 369782112 /nfs/dbraw/zinc/78/21/12/369782112.db2.gz JNKJEGNHBGQPTK-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637262926 369872189 /nfs/dbraw/zinc/87/21/89/369872189.db2.gz FNVGJIKQIHHDBP-VNHYZAJKSA-N 1 2 288.395 2.242 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000353284866 220009719 /nfs/dbraw/zinc/00/97/19/220009719.db2.gz HCVUKPKPQNAQNR-CYBMUJFWSA-N 1 2 266.291 2.414 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000353284866 220009720 /nfs/dbraw/zinc/00/97/20/220009720.db2.gz HCVUKPKPQNAQNR-CYBMUJFWSA-N 1 2 266.291 2.414 20 30 CEEDLO C[N@H+](Cc1cccc2c1OCCO2)CC(C)(C)C#N ZINC000354008420 370175493 /nfs/dbraw/zinc/17/54/93/370175493.db2.gz DFMWGMNNJYGIBA-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO C[N@@H+](Cc1cccc2c1OCCO2)CC(C)(C)C#N ZINC000354008420 370175496 /nfs/dbraw/zinc/17/54/96/370175496.db2.gz DFMWGMNNJYGIBA-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO COC(=O)c1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354018528 370181240 /nfs/dbraw/zinc/18/12/40/370181240.db2.gz QKLJXOKKHCVAKN-UHFFFAOYSA-N 1 2 260.337 2.455 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354018528 370181242 /nfs/dbraw/zinc/18/12/42/370181242.db2.gz QKLJXOKKHCVAKN-UHFFFAOYSA-N 1 2 260.337 2.455 20 30 CEEDLO Cn1cc(C[N@H+](C)CC(C)(C)C#N)c(C(F)F)n1 ZINC000354038408 370191647 /nfs/dbraw/zinc/19/16/47/370191647.db2.gz LKXVWSWEGROQHO-UHFFFAOYSA-N 1 2 256.300 2.339 20 30 CEEDLO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)c(C(F)F)n1 ZINC000354038408 370191651 /nfs/dbraw/zinc/19/16/51/370191651.db2.gz LKXVWSWEGROQHO-UHFFFAOYSA-N 1 2 256.300 2.339 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)o1 ZINC000354383757 370341784 /nfs/dbraw/zinc/34/17/84/370341784.db2.gz PXELDZARPYTBJS-UHFFFAOYSA-N 1 2 293.286 2.043 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000247970470 371151860 /nfs/dbraw/zinc/15/18/60/371151860.db2.gz FNWOKHAZZBJCGS-CABCVRRESA-N 1 2 280.412 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000247970470 371151864 /nfs/dbraw/zinc/15/18/64/371151864.db2.gz FNWOKHAZZBJCGS-CABCVRRESA-N 1 2 280.412 2.076 20 30 CEEDLO Cc1cnn(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000331617939 204015463 /nfs/dbraw/zinc/01/54/63/204015463.db2.gz OELZRTHQPCXGGB-QGZVFWFLSA-N 1 2 296.374 2.137 20 30 CEEDLO Cc1cnn(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000331617939 204015466 /nfs/dbraw/zinc/01/54/66/204015466.db2.gz OELZRTHQPCXGGB-QGZVFWFLSA-N 1 2 296.374 2.137 20 30 CEEDLO C[N@@H+]1CC[C@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248607428 371220676 /nfs/dbraw/zinc/22/06/76/371220676.db2.gz VLRGCVFXYBLXID-GXTWGEPZSA-N 1 2 295.745 2.254 20 30 CEEDLO C[N@H+]1CC[C@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248607428 371220683 /nfs/dbraw/zinc/22/06/83/371220683.db2.gz VLRGCVFXYBLXID-GXTWGEPZSA-N 1 2 295.745 2.254 20 30 CEEDLO N#Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)ccn1 ZINC000361043777 371615694 /nfs/dbraw/zinc/61/56/94/371615694.db2.gz FYIWSUDVWIATKV-UHFFFAOYSA-N 1 2 275.315 2.377 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925013 371672950 /nfs/dbraw/zinc/67/29/50/371672950.db2.gz HMRIOUSBZWHRMU-DGCLKSJQSA-N 1 2 262.353 2.353 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639925013 371672956 /nfs/dbraw/zinc/67/29/56/371672956.db2.gz HMRIOUSBZWHRMU-DGCLKSJQSA-N 1 2 262.353 2.353 20 30 CEEDLO COc1cc[nH+]cc1Cn1nc(C#N)c2ccccc21 ZINC000344068704 217034321 /nfs/dbraw/zinc/03/43/21/217034321.db2.gz HRPMRSMBNOYJRZ-UHFFFAOYSA-N 1 2 264.288 2.360 20 30 CEEDLO C=C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000264493088 371996309 /nfs/dbraw/zinc/99/63/09/371996309.db2.gz TXBUWNXOHHFYNW-UHFFFAOYSA-N 1 2 275.396 2.323 20 30 CEEDLO C[N@H+](CC#Cc1ccccc1)CC(=O)NCc1ccccc1 ZINC000361860857 372103775 /nfs/dbraw/zinc/10/37/75/372103775.db2.gz QXJUTMSWQBAGCZ-UHFFFAOYSA-N 1 2 292.382 2.286 20 30 CEEDLO C[N@@H+](CC#Cc1ccccc1)CC(=O)NCc1ccccc1 ZINC000361860857 372103777 /nfs/dbraw/zinc/10/37/77/372103777.db2.gz QXJUTMSWQBAGCZ-UHFFFAOYSA-N 1 2 292.382 2.286 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000268549253 372132530 /nfs/dbraw/zinc/13/25/30/372132530.db2.gz MXCCCVRGVNUTFK-GJZGRUSLSA-N 1 2 277.364 2.160 20 30 CEEDLO C=CCC[C@H](O)C[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000268549253 372132533 /nfs/dbraw/zinc/13/25/33/372132533.db2.gz MXCCCVRGVNUTFK-GJZGRUSLSA-N 1 2 277.364 2.160 20 30 CEEDLO CC[C@H]1C[N@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000362678748 372483772 /nfs/dbraw/zinc/48/37/72/372483772.db2.gz CKIYGHHIPWROKV-ZDUSSCGKSA-N 1 2 277.343 2.220 20 30 CEEDLO CC[C@H]1C[N@@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000362678748 372483779 /nfs/dbraw/zinc/48/37/79/372483779.db2.gz CKIYGHHIPWROKV-ZDUSSCGKSA-N 1 2 277.343 2.220 20 30 CEEDLO N#Cc1ccc(CNc2cc(CSCCO)cc[nH+]2)o1 ZINC000270642985 372879762 /nfs/dbraw/zinc/87/97/62/372879762.db2.gz KEKJVYIUDJJTID-UHFFFAOYSA-N 1 2 289.360 2.384 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000366730740 373115805 /nfs/dbraw/zinc/11/58/05/373115805.db2.gz QVXUNOVMSGCKLL-HSMVNMDESA-N 1 2 286.379 2.418 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)C1 ZINC000366730740 373115808 /nfs/dbraw/zinc/11/58/08/373115808.db2.gz QVXUNOVMSGCKLL-HSMVNMDESA-N 1 2 286.379 2.418 20 30 CEEDLO Cc1cc(C#N)cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000367419616 373151235 /nfs/dbraw/zinc/15/12/35/373151235.db2.gz NNEHEMWOEIVJGS-OAHLLOKOSA-N 1 2 280.331 2.314 20 30 CEEDLO C=CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000272518020 373531089 /nfs/dbraw/zinc/53/10/89/373531089.db2.gz PPCBLOPJGOKRHG-UHFFFAOYSA-N 1 2 268.320 2.058 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H]2CCOC[C@H]21 ZINC000644837997 373729783 /nfs/dbraw/zinc/72/97/83/373729783.db2.gz DZBHLXKXSACBLZ-WBVHZDCISA-N 1 2 289.375 2.241 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H]2CCOC[C@H]21 ZINC000644837997 373729787 /nfs/dbraw/zinc/72/97/87/373729787.db2.gz DZBHLXKXSACBLZ-WBVHZDCISA-N 1 2 289.375 2.241 20 30 CEEDLO C#CCC(C)(C)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000274369298 373896869 /nfs/dbraw/zinc/89/68/69/373896869.db2.gz ZUDNWSLGAOUKBF-LBPRGKRZSA-N 1 2 277.368 2.152 20 30 CEEDLO C#CCC(C)(C)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000274369298 373896876 /nfs/dbraw/zinc/89/68/76/373896876.db2.gz ZUDNWSLGAOUKBF-LBPRGKRZSA-N 1 2 277.368 2.152 20 30 CEEDLO CC#CCCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000274276453 373862856 /nfs/dbraw/zinc/86/28/56/373862856.db2.gz IXSGYCHAOXQPCT-UHFFFAOYSA-N 1 2 269.348 2.453 20 30 CEEDLO C=C(C)CC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000274872098 374077799 /nfs/dbraw/zinc/07/77/99/374077799.db2.gz XJUSCFLZBQKGMG-ZDUSSCGKSA-N 1 2 298.427 2.121 20 30 CEEDLO C=C(C)CC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000274872098 374077806 /nfs/dbraw/zinc/07/78/06/374077806.db2.gz XJUSCFLZBQKGMG-ZDUSSCGKSA-N 1 2 298.427 2.121 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@H+](CCOCC(F)F)CCO2)c1 ZINC000373740324 374413905 /nfs/dbraw/zinc/41/39/05/374413905.db2.gz GFRIOHMDXOHOPJ-CQSZACIVSA-N 1 2 296.317 2.213 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOCC(F)F)CCO2)c1 ZINC000373740324 374413909 /nfs/dbraw/zinc/41/39/09/374413909.db2.gz GFRIOHMDXOHOPJ-CQSZACIVSA-N 1 2 296.317 2.213 20 30 CEEDLO Cc1ccnc(N2CCC(c3c[nH]c[nH+]3)CC2)c1C#N ZINC000375843823 374685419 /nfs/dbraw/zinc/68/54/19/374685419.db2.gz TZLASTCJRUILAZ-UHFFFAOYSA-N 1 2 267.336 2.369 20 30 CEEDLO Cc1ccnc(N2CCC(c3c[nH+]c[nH]3)CC2)c1C#N ZINC000375843823 374685427 /nfs/dbraw/zinc/68/54/27/374685427.db2.gz TZLASTCJRUILAZ-UHFFFAOYSA-N 1 2 267.336 2.369 20 30 CEEDLO C#CC[NH+]1CCN(c2nccc(Oc3ccccc3)n2)CC1 ZINC000278555114 374829346 /nfs/dbraw/zinc/82/93/46/374829346.db2.gz BUPNUKSNRSGXPK-UHFFFAOYSA-N 1 2 294.358 2.024 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)onc2CC)n1 ZINC000279703219 374959646 /nfs/dbraw/zinc/95/96/46/374959646.db2.gz JIZQZWKBWTXGAJ-UHFFFAOYSA-N 1 2 286.379 2.397 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)onc2CC)n1 ZINC000279703219 374959649 /nfs/dbraw/zinc/95/96/49/374959649.db2.gz JIZQZWKBWTXGAJ-UHFFFAOYSA-N 1 2 286.379 2.397 20 30 CEEDLO Cc1nnc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000391912246 375319976 /nfs/dbraw/zinc/31/99/76/375319976.db2.gz NBPDSUBVQMPYKU-UHFFFAOYSA-N 1 2 262.313 2.147 20 30 CEEDLO C=CC[C@H](CC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281295523 375369390 /nfs/dbraw/zinc/36/93/90/375369390.db2.gz IVYWQPVTAFZCCF-AWEZNQCLSA-N 1 2 288.395 2.268 20 30 CEEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1Cl ZINC000414122327 375795391 /nfs/dbraw/zinc/79/53/91/375795391.db2.gz IMLBUAQITKJCJP-GFCCVEGCSA-N 1 2 282.771 2.234 20 30 CEEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1Cl ZINC000414122327 375795395 /nfs/dbraw/zinc/79/53/95/375795395.db2.gz IMLBUAQITKJCJP-GFCCVEGCSA-N 1 2 282.771 2.234 20 30 CEEDLO CC(C)Oc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414157679 375799281 /nfs/dbraw/zinc/79/92/81/375799281.db2.gz YMPWZFZTVDTBHU-CQSZACIVSA-N 1 2 292.379 2.059 20 30 CEEDLO CC(C)Oc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414157679 375799285 /nfs/dbraw/zinc/79/92/85/375799285.db2.gz YMPWZFZTVDTBHU-CQSZACIVSA-N 1 2 292.379 2.059 20 30 CEEDLO Cn1cc(C[NH2+]CC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000290213572 376690312 /nfs/dbraw/zinc/69/03/12/376690312.db2.gz YSOJDAZIOJPNNX-UHFFFAOYSA-N 1 2 276.290 2.313 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@]23CCOC3)c1C ZINC000421007962 376785842 /nfs/dbraw/zinc/78/58/42/376785842.db2.gz AQVLFVIOZRPHQB-QGZVFWFLSA-N 1 2 288.391 2.338 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@]23CCOC3)c1C ZINC000421007962 376785851 /nfs/dbraw/zinc/78/58/51/376785851.db2.gz AQVLFVIOZRPHQB-QGZVFWFLSA-N 1 2 288.391 2.338 20 30 CEEDLO N#CCCC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421048408 376791782 /nfs/dbraw/zinc/79/17/82/376791782.db2.gz ZJRJWTDNYILPCU-CQSZACIVSA-N 1 2 263.385 2.061 20 30 CEEDLO N#CCCC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421048408 376791794 /nfs/dbraw/zinc/79/17/94/376791794.db2.gz ZJRJWTDNYILPCU-CQSZACIVSA-N 1 2 263.385 2.061 20 30 CEEDLO O=C(NCC1CCCC1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328607036 376858988 /nfs/dbraw/zinc/85/89/88/376858988.db2.gz KWCCCDGUHDMVHH-ZDUSSCGKSA-N 1 2 276.384 2.454 20 30 CEEDLO 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ZINC000376594356 395126516 /nfs/dbraw/zinc/12/65/16/395126516.db2.gz DOTCTEFRIUJPIN-UHFFFAOYSA-N 1 2 282.347 2.435 20 30 CEEDLO CC#CCNC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376177898 395111678 /nfs/dbraw/zinc/11/16/78/395111678.db2.gz MBSJXPVPFMTJKU-OAHLLOKOSA-N 1 2 293.370 2.252 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)o2)c[nH+]1 ZINC000428195127 395141763 /nfs/dbraw/zinc/14/17/63/395141763.db2.gz NEABDUORAMUWNP-UHFFFAOYSA-N 1 2 298.346 2.322 20 30 CEEDLO CCOC(=O)c1coc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348672523 395148323 /nfs/dbraw/zinc/14/83/23/395148323.db2.gz LQYRLGKSNXPRFJ-UHFFFAOYSA-N 1 2 280.299 2.284 20 30 CEEDLO COc1c(O)cccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348715228 395150327 /nfs/dbraw/zinc/15/03/27/395150327.db2.gz PGNKQSSCNJLQSY-UHFFFAOYSA-N 1 2 264.300 2.228 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000293285469 395226677 /nfs/dbraw/zinc/22/66/77/395226677.db2.gz VQEYJLVDSJQKIW-GFCCVEGCSA-N 1 2 278.783 2.472 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000293285469 395226679 /nfs/dbraw/zinc/22/66/79/395226679.db2.gz VQEYJLVDSJQKIW-GFCCVEGCSA-N 1 2 278.783 2.472 20 30 CEEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCC(F)(C#N)CC1 ZINC000352441734 395253693 /nfs/dbraw/zinc/25/36/93/395253693.db2.gz BWZIMCSOIKNWED-NSHDSACASA-N 1 2 256.321 2.046 20 30 CEEDLO CCCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OC ZINC000179332660 395190826 /nfs/dbraw/zinc/19/08/26/395190826.db2.gz SOWJDFJELOZGGQ-OAHLLOKOSA-N 1 2 290.363 2.410 20 30 CEEDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000433183444 395206244 /nfs/dbraw/zinc/20/62/44/395206244.db2.gz RRJKTCGYZPZPNA-HNNXBMFYSA-N 1 2 296.798 2.429 20 30 CEEDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000433183444 395206246 /nfs/dbraw/zinc/20/62/46/395206246.db2.gz RRJKTCGYZPZPNA-HNNXBMFYSA-N 1 2 296.798 2.429 20 30 CEEDLO C=CC1CCN(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000519685009 395207599 /nfs/dbraw/zinc/20/75/99/395207599.db2.gz NOSVEWYTJSIFEV-YPMHNXCESA-N 1 2 274.368 2.497 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000293110320 395219704 /nfs/dbraw/zinc/21/97/04/395219704.db2.gz LRDDKNSQDXNVOX-UHFFFAOYSA-N 1 2 282.290 2.182 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000293110320 395219708 /nfs/dbraw/zinc/21/97/08/395219708.db2.gz LRDDKNSQDXNVOX-UHFFFAOYSA-N 1 2 282.290 2.182 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@H]1CCCC12CCCC2)C(=O)OC ZINC000353284552 395293801 /nfs/dbraw/zinc/29/38/01/395293801.db2.gz FWAFHAKMZWPASL-KGLIPLIRSA-N 1 2 281.396 2.433 20 30 CEEDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352489502 395260286 /nfs/dbraw/zinc/26/02/86/395260286.db2.gz AVHUIPVMULOHIU-MJBXVCDLSA-N 1 2 295.402 2.492 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCC(F)(C#N)CC2)o1 ZINC000352491287 395260672 /nfs/dbraw/zinc/26/06/72/395260672.db2.gz PMRUOOKAVIKLBN-JTQLQIEISA-N 1 2 280.299 2.455 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000192224146 395376830 /nfs/dbraw/zinc/37/68/30/395376830.db2.gz ILVPUSQJUDIXQV-UHFFFAOYSA-N 1 2 282.746 2.003 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000192224146 395376833 /nfs/dbraw/zinc/37/68/33/395376833.db2.gz ILVPUSQJUDIXQV-UHFFFAOYSA-N 1 2 282.746 2.003 20 30 CEEDLO COc1cc2c(cc1C[NH+]1CCC(C#N)CC1)OCO2 ZINC000355380388 395429249 /nfs/dbraw/zinc/42/92/49/395429249.db2.gz IHQCQHKCXDAJJV-UHFFFAOYSA-N 1 2 274.320 2.159 20 30 CEEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000446851052 395500418 /nfs/dbraw/zinc/50/04/18/395500418.db2.gz AKNFZKMLMHUUOK-ZDUSSCGKSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000446851052 395500420 /nfs/dbraw/zinc/50/04/20/395500420.db2.gz AKNFZKMLMHUUOK-ZDUSSCGKSA-N 1 2 298.433 2.019 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000568198213 395550297 /nfs/dbraw/zinc/55/02/97/395550297.db2.gz WMKNWXKIULMPFJ-FZMZJTMJSA-N 1 2 274.368 2.177 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000568198213 395550299 /nfs/dbraw/zinc/55/02/99/395550299.db2.gz WMKNWXKIULMPFJ-FZMZJTMJSA-N 1 2 274.368 2.177 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CC(C)(C)C ZINC000568191722 395550495 /nfs/dbraw/zinc/55/04/95/395550495.db2.gz QQWYLUWPLSECOK-GFCCVEGCSA-N 1 2 276.384 2.377 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CC(C)(C)C ZINC000568191722 395550497 /nfs/dbraw/zinc/55/04/97/395550497.db2.gz QQWYLUWPLSECOK-GFCCVEGCSA-N 1 2 276.384 2.377 20 30 CEEDLO CC(C)(NC(=O)Cc1c(F)cccc1C#N)c1[nH]cc[nH+]1 ZINC000568639490 395564092 /nfs/dbraw/zinc/56/40/92/395564092.db2.gz PKUJFPUKCNZDDX-UHFFFAOYSA-N 1 2 286.310 2.014 20 30 CEEDLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(Cl)c1C#N ZINC000450316148 395570895 /nfs/dbraw/zinc/57/08/95/395570895.db2.gz QUBLNRAFFLMDDZ-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@@H]1COCC[N@H+]1CCNc1cccc(Cl)c1C#N ZINC000450316148 395570897 /nfs/dbraw/zinc/57/08/97/395570897.db2.gz QUBLNRAFFLMDDZ-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO CC(C)[C@@H](NC(=O)c1ccc(C#N)o1)c1[nH]cc[nH+]1 ZINC000451105630 395583541 /nfs/dbraw/zinc/58/35/41/395583541.db2.gz TVRODKLXPOWOKJ-LLVKDONJSA-N 1 2 258.281 2.001 20 30 CEEDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000452033255 395625864 /nfs/dbraw/zinc/62/58/64/395625864.db2.gz BQCUNRIREAPFSN-GFCCVEGCSA-N 1 2 293.392 2.059 20 30 CEEDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000452033255 395625865 /nfs/dbraw/zinc/62/58/65/395625865.db2.gz BQCUNRIREAPFSN-GFCCVEGCSA-N 1 2 293.392 2.059 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000574432825 395629813 /nfs/dbraw/zinc/62/98/13/395629813.db2.gz MGJIGKWAJFGKNK-MRXNPFEDSA-N 1 2 294.358 2.102 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456442642 395633807 /nfs/dbraw/zinc/63/38/07/395633807.db2.gz ZRJNBHXQOMAMLY-HZMBPMFUSA-N 1 2 280.331 2.499 20 30 CEEDLO Cc1cc(C)c(CNC(=O)c2cc(C)c(C#N)cn2)c[nH+]1 ZINC000457840312 395637264 /nfs/dbraw/zinc/63/72/64/395637264.db2.gz FQXJAQPTZAYPCF-UHFFFAOYSA-N 1 2 280.331 2.204 20 30 CEEDLO Cc1c([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cnn1C ZINC000459412262 395666207 /nfs/dbraw/zinc/66/62/07/395666207.db2.gz VCIUXVVQFXHNJT-JTQLQIEISA-N 1 2 299.334 2.359 20 30 CEEDLO Cc1cc(C[N@H+](CC(N)=O)Cc2ccccc2)ccc1C#N ZINC000487855951 395667486 /nfs/dbraw/zinc/66/74/86/395667486.db2.gz GAJBRZRXLULEJN-UHFFFAOYSA-N 1 2 293.370 2.354 20 30 CEEDLO Cc1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)ccc1C#N ZINC000487855951 395667487 /nfs/dbraw/zinc/66/74/87/395667487.db2.gz GAJBRZRXLULEJN-UHFFFAOYSA-N 1 2 293.370 2.354 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591776 400245424 /nfs/dbraw/zinc/24/54/24/400245424.db2.gz NNQQJERNSOPZIW-SNVBAGLBSA-N 1 2 271.280 2.164 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](c2ccccc2F)CC1=O ZINC000491656765 400594096 /nfs/dbraw/zinc/59/40/96/400594096.db2.gz IOYTUCLRCSXICR-QWHCGFSZSA-N 1 2 274.339 2.053 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2ccccc2F)CC1=O ZINC000491656765 400594099 /nfs/dbraw/zinc/59/40/99/400594099.db2.gz IOYTUCLRCSXICR-QWHCGFSZSA-N 1 2 274.339 2.053 20 30 CEEDLO C=C(C)CN(CC)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651090601 401264318 /nfs/dbraw/zinc/26/43/18/401264318.db2.gz XISHWEBVWKFCJI-UHFFFAOYSA-N 1 2 261.369 2.187 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000360138795 155225852 /nfs/dbraw/zinc/22/58/52/155225852.db2.gz HWCYLKVEABNPOK-RNCFNFMXSA-N 1 2 250.729 2.024 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000360138795 155225855 /nfs/dbraw/zinc/22/58/55/155225855.db2.gz HWCYLKVEABNPOK-RNCFNFMXSA-N 1 2 250.729 2.024 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(C)c(C#N)c1)CC2 ZINC000367109285 156133071 /nfs/dbraw/zinc/13/30/71/156133071.db2.gz TXTSECIDJJKLFQ-UHFFFAOYSA-N 1 2 280.331 2.028 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369065911 156426152 /nfs/dbraw/zinc/42/61/52/156426152.db2.gz PVNFFDHBNUYPPV-MRXNPFEDSA-N 1 2 283.375 2.049 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369065911 156426158 /nfs/dbraw/zinc/42/61/58/156426158.db2.gz PVNFFDHBNUYPPV-MRXNPFEDSA-N 1 2 283.375 2.049 20 30 CEEDLO CC(C)c1ncc2c(n1)C[N@@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC000375451406 157096930 /nfs/dbraw/zinc/09/69/30/157096930.db2.gz SKDDPSHXIYTSKK-UHFFFAOYSA-N 1 2 295.390 2.368 20 30 CEEDLO CC(C)c1ncc2c(n1)C[N@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC000375451406 157096933 /nfs/dbraw/zinc/09/69/33/157096933.db2.gz SKDDPSHXIYTSKK-UHFFFAOYSA-N 1 2 295.390 2.368 20 30 CEEDLO C=CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000660304226 414760731 /nfs/dbraw/zinc/76/07/31/414760731.db2.gz CCVITBJKPZMAEB-UHFFFAOYSA-N 1 2 274.368 2.057 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2sc(C)nc2C)nn1 ZINC000657380090 414899650 /nfs/dbraw/zinc/89/96/50/414899650.db2.gz GSDHMFPEAMFGHL-UHFFFAOYSA-N 1 2 277.397 2.217 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cccnc2)nn1 ZINC000653598310 415049318 /nfs/dbraw/zinc/04/93/18/415049318.db2.gz VDVPLXICVQHDHN-LBPRGKRZSA-N 1 2 257.341 2.100 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cnccc2C)nn1 ZINC000653612709 415054123 /nfs/dbraw/zinc/05/41/23/415054123.db2.gz BFLQNAAJIOUMGE-ZDUSSCGKSA-N 1 2 271.368 2.408 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661045575 415073876 /nfs/dbraw/zinc/07/38/76/415073876.db2.gz MOOLVEPHAHQVIL-MELADBBJSA-N 1 2 286.379 2.091 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000653761751 415094508 /nfs/dbraw/zinc/09/45/08/415094508.db2.gz FFRQARXBPYDDJT-DLBZAZTESA-N 1 2 298.390 2.162 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)nn1 ZINC000653761751 415094514 /nfs/dbraw/zinc/09/45/14/415094514.db2.gz FFRQARXBPYDDJT-DLBZAZTESA-N 1 2 298.390 2.162 20 30 CEEDLO C=CCCn1cc(C[N@H+](CC)Cc2ccoc2)nn1 ZINC000653535840 415027004 /nfs/dbraw/zinc/02/70/04/415027004.db2.gz FODDZUVYHZRUAW-UHFFFAOYSA-N 1 2 260.341 2.469 20 30 CEEDLO C=CCCn1cc(C[N@@H+](CC)Cc2ccoc2)nn1 ZINC000653535840 415027010 /nfs/dbraw/zinc/02/70/10/415027010.db2.gz FODDZUVYHZRUAW-UHFFFAOYSA-N 1 2 260.341 2.469 20 30 CEEDLO C=CCCn1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000653570592 415039546 /nfs/dbraw/zinc/03/95/46/415039546.db2.gz WWRUGVAKRCIQLW-AWEZNQCLSA-N 1 2 286.383 2.305 20 30 CEEDLO C=CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H](C)COC ZINC000661240396 415152993 /nfs/dbraw/zinc/15/29/93/415152993.db2.gz NYWTWVKFBBTZRD-LLVKDONJSA-N 1 2 266.389 2.125 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)[C@H](C)COC ZINC000661240396 415153000 /nfs/dbraw/zinc/15/30/00/415153000.db2.gz NYWTWVKFBBTZRD-LLVKDONJSA-N 1 2 266.389 2.125 20 30 CEEDLO C=CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)COC ZINC000661244638 415155663 /nfs/dbraw/zinc/15/56/63/415155663.db2.gz XCAIDYIPCKZIPU-GFCCVEGCSA-N 1 2 287.363 2.358 20 30 CEEDLO C=CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)COC ZINC000661244638 415155668 /nfs/dbraw/zinc/15/56/68/415155668.db2.gz XCAIDYIPCKZIPU-GFCCVEGCSA-N 1 2 287.363 2.358 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)[C@@H](C)COC ZINC000661242011 415155771 /nfs/dbraw/zinc/15/57/71/415155771.db2.gz GOGRJJQNCUYEKF-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)[C@@H](C)COC ZINC000661242011 415155775 /nfs/dbraw/zinc/15/57/75/415155775.db2.gz GOGRJJQNCUYEKF-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@@H](CC)OC[C@@H]2CC)nn1 ZINC000653778786 415103386 /nfs/dbraw/zinc/10/33/86/415103386.db2.gz MVTJOEFHWMXUGO-LSDHHAIUSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](CC)OC[C@@H]2CC)nn1 ZINC000653778786 415103392 /nfs/dbraw/zinc/10/33/92/415103392.db2.gz MVTJOEFHWMXUGO-LSDHHAIUSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000661205319 415131898 /nfs/dbraw/zinc/13/18/98/415131898.db2.gz UOYANNOKDGUFGB-CHWSQXEVSA-N 1 2 288.395 2.265 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000661205319 415131902 /nfs/dbraw/zinc/13/19/02/415131902.db2.gz UOYANNOKDGUFGB-CHWSQXEVSA-N 1 2 288.395 2.265 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccco1 ZINC000658157682 415234392 /nfs/dbraw/zinc/23/43/92/415234392.db2.gz UMIYFYDABJAXOH-NSHDSACASA-N 1 2 276.340 2.341 20 30 CEEDLO C=CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000661571904 415333663 /nfs/dbraw/zinc/33/36/63/415333663.db2.gz RNAJHELAGKYDBQ-UHFFFAOYSA-N 1 2 279.409 2.151 20 30 CEEDLO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655797179 415475529 /nfs/dbraw/zinc/47/55/29/415475529.db2.gz MMNNCZYNNAWQIV-QJPTWQEYSA-N 1 2 264.373 2.347 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662167376 415668663 /nfs/dbraw/zinc/66/86/63/415668663.db2.gz BZUJXAWZRHKYAG-WCQYABFASA-N 1 2 273.336 2.243 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@]2(C)CCCC[C@@H]2C)nn1 ZINC000656458827 415718011 /nfs/dbraw/zinc/71/80/11/415718011.db2.gz IOLDPHIOICPYIN-ZFWWWQNUSA-N 1 2 260.385 2.316 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000078445222 177342203 /nfs/dbraw/zinc/34/22/03/177342203.db2.gz HAMFWXHQVRWDTO-UHFFFAOYSA-N 1 2 276.405 2.307 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000078445222 177342205 /nfs/dbraw/zinc/34/22/05/177342205.db2.gz HAMFWXHQVRWDTO-UHFFFAOYSA-N 1 2 276.405 2.307 20 30 CEEDLO C=CCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H](C)COC ZINC000666132360 419551555 /nfs/dbraw/zinc/55/15/55/419551555.db2.gz UXQTZRFAEVBRJO-LBPRGKRZSA-N 1 2 288.351 2.389 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N(C)C ZINC000297708636 260132844 /nfs/dbraw/zinc/13/28/44/260132844.db2.gz ASNFRDYIKRJCDG-GFCCVEGCSA-N 1 2 264.344 2.290 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N(C)C ZINC000297708636 260132845 /nfs/dbraw/zinc/13/28/45/260132845.db2.gz ASNFRDYIKRJCDG-GFCCVEGCSA-N 1 2 264.344 2.290 20 30 CEEDLO C=CCCOCCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000517755970 260187301 /nfs/dbraw/zinc/18/73/01/260187301.db2.gz CANJNCFIHBGCLP-GFCCVEGCSA-N 1 2 265.357 2.350 20 30 CEEDLO Cc1nc(CC(N)=[NH+]OCc2c(C)noc2C)cs1 ZINC000063456872 260239702 /nfs/dbraw/zinc/23/97/02/260239702.db2.gz ITVUWHSSABZOEV-UHFFFAOYSA-N 1 2 280.353 2.088 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@H+](CCC#N)CC3CC3)nc12 ZINC000081043314 260329827 /nfs/dbraw/zinc/32/98/27/260329827.db2.gz HUVXRDYGVKEDCN-UHFFFAOYSA-N 1 2 296.374 2.129 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@@H+](CCC#N)CC3CC3)nc12 ZINC000081043314 260329829 /nfs/dbraw/zinc/32/98/29/260329829.db2.gz HUVXRDYGVKEDCN-UHFFFAOYSA-N 1 2 296.374 2.129 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000518083588 260341372 /nfs/dbraw/zinc/34/13/72/260341372.db2.gz WTPWVDNOOSXWLI-OLZOCXBDSA-N 1 2 274.368 2.222 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000518083588 260341374 /nfs/dbraw/zinc/34/13/74/260341374.db2.gz WTPWVDNOOSXWLI-OLZOCXBDSA-N 1 2 274.368 2.222 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000128776918 260378953 /nfs/dbraw/zinc/37/89/53/260378953.db2.gz GXTRYHYULZAMCO-TXEJJXNPSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000128776918 260378954 /nfs/dbraw/zinc/37/89/54/260378954.db2.gz 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/nfs/dbraw/zinc/25/87/83/261258783.db2.gz AHAGROLWOSPPKZ-DOMZBBRYSA-N 1 2 277.368 2.327 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCCOC ZINC000184097573 262008784 /nfs/dbraw/zinc/00/87/84/262008784.db2.gz ZVDZUUAGWZYOIL-CQSZACIVSA-N 1 2 262.353 2.494 20 30 CEEDLO COC(C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)OC ZINC000364579514 262255576 /nfs/dbraw/zinc/25/55/76/262255576.db2.gz MXXYPDKFAKUQQC-CABCVRRESA-N 1 2 274.364 2.377 20 30 CEEDLO COC(C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)OC ZINC000364579514 262255577 /nfs/dbraw/zinc/25/55/77/262255577.db2.gz MXXYPDKFAKUQQC-CABCVRRESA-N 1 2 274.364 2.377 20 30 CEEDLO CCOC(=O)c1coc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000354646154 262279962 /nfs/dbraw/zinc/27/99/62/262279962.db2.gz HOYNMRIBWXYYMH-ZWNOBZJWSA-N 1 2 262.309 2.238 20 30 CEEDLO N#CCCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272685853 263008038 /nfs/dbraw/zinc/00/80/38/263008038.db2.gz BMWOXCLSCORZQH-UHFFFAOYSA-N 1 2 270.311 2.283 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc(F)cn1 ZINC000276057676 263034822 /nfs/dbraw/zinc/03/48/22/263034822.db2.gz KDUZCJGLBJOZMJ-JTQLQIEISA-N 1 2 269.320 2.071 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000276342781 263036407 /nfs/dbraw/zinc/03/64/07/263036407.db2.gz UOIDOAQVPSCTHX-CQSZACIVSA-N 1 2 271.364 2.137 20 30 CEEDLO C[C@H](CCC#N)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000276342731 263036510 /nfs/dbraw/zinc/03/65/10/263036510.db2.gz UNDNKXHRMPZJQR-CQSZACIVSA-N 1 2 273.380 2.202 20 30 CEEDLO Cc1nc(CC(N)=[NH+]OCc2cncc(F)c2)cs1 ZINC000280847425 263064638 /nfs/dbraw/zinc/06/46/38/263064638.db2.gz BHHRRKGAZMBZJS-UHFFFAOYSA-N 1 2 280.328 2.017 20 30 CEEDLO N#CCc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000340063947 263065125 /nfs/dbraw/zinc/06/51/25/263065125.db2.gz POBMCEYAXDLZHN-UHFFFAOYSA-N 1 2 290.326 2.330 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000353464322 263079179 /nfs/dbraw/zinc/07/91/79/263079179.db2.gz UGVHRKPFCZKDGG-NWDGAFQWSA-N 1 2 293.798 2.436 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000353464322 263079180 /nfs/dbraw/zinc/07/91/80/263079180.db2.gz UGVHRKPFCZKDGG-NWDGAFQWSA-N 1 2 293.798 2.436 20 30 CEEDLO NC(=[NH+]OCCCOc1ccc(F)cc1)[C@H]1CCCO1 ZINC000283872304 263084479 /nfs/dbraw/zinc/08/44/79/263084479.db2.gz CMFQCUXNSHZQKY-CYBMUJFWSA-N 1 2 282.315 2.062 20 30 CEEDLO NC(=[NH+]OCc1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000283904408 263084693 /nfs/dbraw/zinc/08/46/93/263084693.db2.gz DICNJIYBWAHRQN-AWEZNQCLSA-N 1 2 260.337 2.143 20 30 CEEDLO Cc1cccc(C)c1OCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284514598 263087050 /nfs/dbraw/zinc/08/70/50/263087050.db2.gz UJJBAYANWLDNPQ-ZDUSSCGKSA-N 1 2 278.352 2.150 20 30 CEEDLO Cc1cn2cc(NC(=O)N3CC(C)(C#N)C3)ccc2[nH+]1 ZINC000284475696 263087195 /nfs/dbraw/zinc/08/71/95/263087195.db2.gz BOSCZXCCENDKJN-UHFFFAOYSA-N 1 2 269.308 2.020 20 30 CEEDLO CCOC1CC(CO[NH+]=C(N)COc2ccccc2F)C1 ZINC000285277065 263091714 /nfs/dbraw/zinc/09/17/14/263091714.db2.gz UIEUETQMUUMJKU-UHFFFAOYSA-N 1 2 296.342 2.308 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@H]2CCOC[C@H]2C)c1O ZINC000285382684 263092482 /nfs/dbraw/zinc/09/24/82/263092482.db2.gz OUAQNHKMBOTMCP-RTJZQMKSSA-N 1 2 263.337 2.492 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000288767564 263106084 /nfs/dbraw/zinc/10/60/84/263106084.db2.gz JIJPMKSNYURPRC-INIZCTEOSA-N 1 2 289.379 2.082 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000288767564 263106085 /nfs/dbraw/zinc/10/60/85/263106085.db2.gz JIJPMKSNYURPRC-INIZCTEOSA-N 1 2 289.379 2.082 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cc(OC)c(O)c(OC)c1 ZINC000289098571 263107634 /nfs/dbraw/zinc/10/76/34/263107634.db2.gz LWSHDFUHZCTTKJ-UHFFFAOYSA-N 1 2 264.325 2.145 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cc(OC)c(O)c(OC)c1 ZINC000289098571 263107635 /nfs/dbraw/zinc/10/76/35/263107635.db2.gz LWSHDFUHZCTTKJ-UHFFFAOYSA-N 1 2 264.325 2.145 20 30 CEEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000291471404 263122962 /nfs/dbraw/zinc/12/29/62/263122962.db2.gz QJCLWHWGTHJMDN-QGZVFWFLSA-N 1 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/nfs/dbraw/zinc/23/63/60/263236360.db2.gz FJLUIJBNRGTZRS-RGZVIEDOSA-N 1 2 260.337 2.363 20 30 CEEDLO N#CC1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000299512478 263245180 /nfs/dbraw/zinc/24/51/80/263245180.db2.gz NIMOZTPVDGKYNK-UHFFFAOYSA-N 1 2 280.331 2.107 20 30 CEEDLO N#CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000416360259 263705250 /nfs/dbraw/zinc/70/52/50/263705250.db2.gz SHRVRHMFVDYAHN-UHFFFAOYSA-N 1 2 280.331 2.296 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000330709434 264020593 /nfs/dbraw/zinc/02/05/93/264020593.db2.gz RYQJANNLUYSNEH-UHFFFAOYSA-N 1 2 289.335 2.494 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C#N)s1 ZINC000456368536 264036213 /nfs/dbraw/zinc/03/62/13/264036213.db2.gz XNHLMTAMYHOFIX-VIFPVBQESA-N 1 2 274.349 2.327 20 30 CEEDLO COC(=O)c1oc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1C ZINC000330807089 264043342 /nfs/dbraw/zinc/04/33/42/264043342.db2.gz CSPTURCIINFWEH-CMPLNLGQSA-N 1 2 262.309 2.157 20 30 CEEDLO N#CCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000330866990 264057853 /nfs/dbraw/zinc/05/78/53/264057853.db2.gz ZXSSZPYQDLGMQA-UHFFFAOYSA-N 1 2 292.408 2.083 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)NC[C@@H](O)C(C)C)cc2n1C ZINC000331072213 264113390 /nfs/dbraw/zinc/11/33/90/264113390.db2.gz SXQCCKFPPVJZIF-CQSZACIVSA-N 1 2 275.352 2.203 20 30 CEEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000331130525 264147727 /nfs/dbraw/zinc/14/77/27/264147727.db2.gz SGCDMEHRKMJWBL-GFCCVEGCSA-N 1 2 297.786 2.056 20 30 CEEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000331130525 264147729 /nfs/dbraw/zinc/14/77/29/264147729.db2.gz SGCDMEHRKMJWBL-GFCCVEGCSA-N 1 2 297.786 2.056 20 30 CEEDLO CC[C@@H](O)CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331235454 264174515 /nfs/dbraw/zinc/17/45/15/264174515.db2.gz LKZKVQHUUIFPHD-GFCCVEGCSA-N 1 2 265.357 2.494 20 30 CEEDLO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000331237319 264175297 /nfs/dbraw/zinc/17/52/97/264175297.db2.gz UYOCBFVBKXSVSZ-DGCLKSJQSA-N 1 2 276.384 2.340 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000331335646 264193868 /nfs/dbraw/zinc/19/38/68/264193868.db2.gz ITCUZZVYDRMPKE-YPMHNXCESA-N 1 2 275.327 2.355 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)N(C)c1ccccc1 ZINC000331339746 264194070 /nfs/dbraw/zinc/19/40/70/264194070.db2.gz JTGCPMZZQZUGQK-YDHLFZDLSA-N 1 2 271.364 2.320 20 30 CEEDLO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)co1 ZINC000331352737 264206841 /nfs/dbraw/zinc/20/68/41/264206841.db2.gz ORCCEKSJKGWDDZ-UHFFFAOYSA-N 1 2 266.341 2.003 20 30 CEEDLO CNc1ccccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331355564 264207182 /nfs/dbraw/zinc/20/71/82/264207182.db2.gz QUKULNAHZWQOTO-UHFFFAOYSA-N 1 2 291.395 2.144 20 30 CEEDLO CNc1ccccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331355564 264207185 /nfs/dbraw/zinc/20/71/85/264207185.db2.gz QUKULNAHZWQOTO-UHFFFAOYSA-N 1 2 291.395 2.144 20 30 CEEDLO COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)cs1 ZINC000331356172 264208246 /nfs/dbraw/zinc/20/82/46/264208246.db2.gz ROTGEAJGNVPTCR-WDEREUQCSA-N 1 2 264.350 2.317 20 30 CEEDLO COC(=O)c1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)cs1 ZINC000331356170 264208316 /nfs/dbraw/zinc/20/83/16/264208316.db2.gz ROTGEAJGNVPTCR-MNOVXSKESA-N 1 2 264.350 2.317 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425500835 264363062 /nfs/dbraw/zinc/36/30/62/264363062.db2.gz MUFHKJYNXGPTCH-HNNXBMFYSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425500835 264363064 /nfs/dbraw/zinc/36/30/64/264363064.db2.gz MUFHKJYNXGPTCH-HNNXBMFYSA-N 1 2 285.326 2.126 20 30 CEEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525885594 265032201 /nfs/dbraw/zinc/03/22/01/265032201.db2.gz PFWWMDUZHKCEAE-GFCCVEGCSA-N 1 2 269.348 2.126 20 30 CEEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525885594 265032202 /nfs/dbraw/zinc/03/22/02/265032202.db2.gz PFWWMDUZHKCEAE-GFCCVEGCSA-N 1 2 269.348 2.126 20 30 CEEDLO N#CCCCOc1cccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000356300891 266092089 /nfs/dbraw/zinc/09/20/89/266092089.db2.gz KFCSZLZXWXBQOH-UHFFFAOYSA-N 1 2 297.358 2.290 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1n[nH]cc1C ZINC000356310595 266094013 /nfs/dbraw/zinc/09/40/13/266094013.db2.gz XVCGVPBEHFPGCG-UHFFFAOYSA-N 1 2 275.352 2.382 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1n[nH]cc1C ZINC000356310595 266094015 /nfs/dbraw/zinc/09/40/15/266094015.db2.gz XVCGVPBEHFPGCG-UHFFFAOYSA-N 1 2 275.352 2.382 20 30 CEEDLO N#CCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357022532 266233876 /nfs/dbraw/zinc/23/38/76/266233876.db2.gz KDEWWBWHBPQOGS-UHFFFAOYSA-N 1 2 270.332 2.461 20 30 CEEDLO N#CCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357022532 266233877 /nfs/dbraw/zinc/23/38/77/266233877.db2.gz KDEWWBWHBPQOGS-UHFFFAOYSA-N 1 2 270.332 2.461 20 30 CEEDLO CCCCCCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164609 267091311 /nfs/dbraw/zinc/09/13/11/267091311.db2.gz FMFHGXJNJWKQRT-OAHLLOKOSA-N 1 2 282.428 2.326 20 30 CEEDLO CCCCCCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000115164609 267091314 /nfs/dbraw/zinc/09/13/14/267091314.db2.gz FMFHGXJNJWKQRT-OAHLLOKOSA-N 1 2 282.428 2.326 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368823658 267207647 /nfs/dbraw/zinc/20/76/47/267207647.db2.gz PJJKCYKLUFJJQA-LBPRGKRZSA-N 1 2 256.777 2.216 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368823658 267207649 /nfs/dbraw/zinc/20/76/49/267207649.db2.gz PJJKCYKLUFJJQA-LBPRGKRZSA-N 1 2 256.777 2.216 20 30 CEEDLO C#CCOc1ccc(C[NH+]2CC(n3cc(C)cn3)C2)cc1 ZINC000369426007 267241943 /nfs/dbraw/zinc/24/19/43/267241943.db2.gz LIIYSISKYGQGJZ-UHFFFAOYSA-N 1 2 281.359 2.260 20 30 CEEDLO COC(=O)C1(CNc2cc(C)[nH+]cc2C#N)CCCCC1 ZINC000425251964 267356738 /nfs/dbraw/zinc/35/67/38/267356738.db2.gz YSTDEZQEKQMCTC-UHFFFAOYSA-N 1 2 287.363 2.219 20 30 CEEDLO Cc1ccn2cc(CNc3ccc(C#N)c(C)n3)[nH+]c2c1 ZINC000488046210 268062648 /nfs/dbraw/zinc/06/26/48/268062648.db2.gz FCOGDHZLCMXAGR-UHFFFAOYSA-N 1 2 277.331 2.252 20 30 CEEDLO Cc1n[nH]c(C)c1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459606717 268072399 /nfs/dbraw/zinc/07/23/99/268072399.db2.gz FKTHDJBYSXSICJ-UHFFFAOYSA-N 1 2 282.347 2.161 20 30 CEEDLO N#Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)ccc1Cl ZINC000514995552 268176567 /nfs/dbraw/zinc/17/65/67/268176567.db2.gz AOSGYEOSXWQAEJ-UHFFFAOYSA-N 1 2 286.722 2.064 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\C3CC3)CC2)cc1 ZINC000491905496 268219187 /nfs/dbraw/zinc/21/91/87/268219187.db2.gz DYWHVQYLDXOTFB-FPLPWBNLSA-N 1 2 295.386 2.169 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000459402339 268291472 /nfs/dbraw/zinc/29/14/72/268291472.db2.gz FGBQVSDMOROACD-UHFFFAOYSA-N 1 2 287.319 2.079 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCOCC2(CC2)C1 ZINC000459402339 268291474 /nfs/dbraw/zinc/29/14/74/268291474.db2.gz FGBQVSDMOROACD-UHFFFAOYSA-N 1 2 287.319 2.079 20 30 CEEDLO CCc1cnccc1CNc1cc(C)[nH+]cc1C#N ZINC000425247637 271146897 /nfs/dbraw/zinc/14/68/97/271146897.db2.gz ORALYEDBAATJCQ-UHFFFAOYSA-N 1 2 252.321 2.253 20 30 CEEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000329837729 276006182 /nfs/dbraw/zinc/00/61/82/276006182.db2.gz ILTBOVKQFILNKW-TZMCWYRMSA-N 1 2 276.384 2.098 20 30 CEEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2cn[nH]c2C1 ZINC000329837729 276006183 /nfs/dbraw/zinc/00/61/83/276006183.db2.gz ILTBOVKQFILNKW-TZMCWYRMSA-N 1 2 276.384 2.098 20 30 CEEDLO CC(=O)N1CC[N@H+](CC2(C#N)CC2)CC12CCCCC2 ZINC000335653579 278040532 /nfs/dbraw/zinc/04/05/32/278040532.db2.gz FHQOKONOPYHHNT-UHFFFAOYSA-N 1 2 275.396 2.157 20 30 CEEDLO CC(=O)N1CC[N@@H+](CC2(C#N)CC2)CC12CCCCC2 ZINC000335653579 278040533 /nfs/dbraw/zinc/04/05/33/278040533.db2.gz FHQOKONOPYHHNT-UHFFFAOYSA-N 1 2 275.396 2.157 20 30 CEEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(C#N)nc1)C2 ZINC000301504271 278075754 /nfs/dbraw/zinc/07/57/54/278075754.db2.gz ICHBXNPTCFGDIG-UHFFFAOYSA-N 1 2 281.363 2.373 20 30 CEEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccnc(C#N)c1)C2 ZINC000328800270 278076108 /nfs/dbraw/zinc/07/61/08/278076108.db2.gz IDSDJKRZTZHAQM-UHFFFAOYSA-N 1 2 281.363 2.373 20 30 CEEDLO C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000122862173 278527429 /nfs/dbraw/zinc/52/74/29/278527429.db2.gz DFSJXMFFFKDHSA-NVXWUHKLSA-N 1 2 293.370 2.344 20 30 CEEDLO Cc1nc(N2CCc3c(C#N)c(N)sc3C2)c(C)c(C)[nH+]1 ZINC000301668872 281867370 /nfs/dbraw/zinc/86/73/70/281867370.db2.gz DJAOJEPPFWEJLI-UHFFFAOYSA-N 1 2 299.403 2.480 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC23CCC3)c(C#N)c1C ZINC000336161209 294036533 /nfs/dbraw/zinc/03/65/33/294036533.db2.gz HWNOYLYWGWXOJO-UHFFFAOYSA-N 1 2 273.336 2.335 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CCC23CCC3)c(C#N)c1C ZINC000336161209 294036534 /nfs/dbraw/zinc/03/65/34/294036534.db2.gz HWNOYLYWGWXOJO-UHFFFAOYSA-N 1 2 273.336 2.335 20 30 CEEDLO N#Cc1cccc(C#N)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000302451154 294955908 /nfs/dbraw/zinc/95/59/08/294955908.db2.gz PIMIEFBBGAAKQU-UHFFFAOYSA-N 1 2 289.342 2.152 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000566442968 298984453 /nfs/dbraw/zinc/98/44/53/298984453.db2.gz MUABJBDQNXWFHZ-LBPRGKRZSA-N 1 2 286.379 2.269 20 30 CEEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000157167818 303036819 /nfs/dbraw/zinc/03/68/19/303036819.db2.gz MQWYHGBUVWYHTE-AWEZNQCLSA-N 1 2 267.336 2.024 20 30 CEEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000157167818 303036821 /nfs/dbraw/zinc/03/68/21/303036821.db2.gz MQWYHGBUVWYHTE-AWEZNQCLSA-N 1 2 267.336 2.024 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000042357238 328767005 /nfs/dbraw/zinc/76/70/05/328767005.db2.gz IMKLKAXTQJFACI-NSHDSACASA-N 1 2 294.424 2.272 20 30 CEEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571766422 314104287 /nfs/dbraw/zinc/10/42/87/314104287.db2.gz UYSBRPCPRAXWCH-ZDUSSCGKSA-N 1 2 263.272 2.400 20 30 CEEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571766422 314104291 /nfs/dbraw/zinc/10/42/91/314104291.db2.gz UYSBRPCPRAXWCH-ZDUSSCGKSA-N 1 2 263.272 2.400 20 30 CEEDLO COC(=O)c1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)n1 ZINC000576480480 314280658 /nfs/dbraw/zinc/28/06/58/314280658.db2.gz WMVKTZJYRUHKJB-CABZTGNLSA-N 1 2 297.318 2.054 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000563367230 328059881 /nfs/dbraw/zinc/05/98/81/328059881.db2.gz VDXZEGAJOPPZMX-CYBMUJFWSA-N 1 2 279.771 2.238 20 30 CEEDLO Oc1ccc(/C=[NH+]/CC2CCSCC2)c(O)c1O ZINC000264914082 328162893 /nfs/dbraw/zinc/16/28/93/328162893.db2.gz KKLXDXLUJIKRTI-RIYZIHGNSA-N 1 2 267.350 2.366 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000266941471 328170554 /nfs/dbraw/zinc/17/05/54/328170554.db2.gz RKWXZZADKNFMOO-ZIAGYGMSSA-N 1 2 273.380 2.488 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000266941471 328170556 /nfs/dbraw/zinc/17/05/56/328170556.db2.gz RKWXZZADKNFMOO-ZIAGYGMSSA-N 1 2 273.380 2.488 20 30 CEEDLO N#CCC[N@@H+](C[C@@H](O)c1ccccc1F)CC1CC1 ZINC000267082508 328172579 /nfs/dbraw/zinc/17/25/79/328172579.db2.gz NICMJPONBBKNJL-OAHLLOKOSA-N 1 2 262.328 2.485 20 30 CEEDLO N#CCC[N@H+](C[C@@H](O)c1ccccc1F)CC1CC1 ZINC000267082508 328172581 /nfs/dbraw/zinc/17/25/81/328172581.db2.gz NICMJPONBBKNJL-OAHLLOKOSA-N 1 2 262.328 2.485 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000281008117 328238023 /nfs/dbraw/zinc/23/80/23/328238023.db2.gz NZLRHKFACFWUQP-VGSSETLESA-N 1 2 290.363 2.078 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CCCC#N ZINC000290969974 328261290 /nfs/dbraw/zinc/26/12/90/328261290.db2.gz OPJXMRIBYGGCAW-UHFFFAOYSA-N 1 2 270.336 2.155 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1Cl ZINC000292167202 328268443 /nfs/dbraw/zinc/26/84/43/328268443.db2.gz LMZNSJSDKHXLAB-ZDUSSCGKSA-N 1 2 294.782 2.481 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1Cl ZINC000292167202 328268444 /nfs/dbraw/zinc/26/84/44/328268444.db2.gz LMZNSJSDKHXLAB-ZDUSSCGKSA-N 1 2 294.782 2.481 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000298341776 328295927 /nfs/dbraw/zinc/29/59/27/328295927.db2.gz DXOOEMBSFGOECA-RDBSUJKOSA-N 1 2 278.352 2.096 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000298341776 328295929 /nfs/dbraw/zinc/29/59/29/328295929.db2.gz DXOOEMBSFGOECA-RDBSUJKOSA-N 1 2 278.352 2.096 20 30 CEEDLO C=CCC(F)(F)c1nc(Cc2c[nH+]cn2C)no1 ZINC000340648825 328298257 /nfs/dbraw/zinc/29/82/57/328298257.db2.gz XLHQGTKAUWJMAB-UHFFFAOYSA-N 1 2 254.240 2.062 20 30 CEEDLO CN(C)c1ccc(Nc2nccc(C#N)c2Cl)c[nH+]1 ZINC000387219251 321877157 /nfs/dbraw/zinc/87/71/57/321877157.db2.gz LCCJUILYCCKMNL-UHFFFAOYSA-N 1 2 273.727 2.233 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)nc1 ZINC000581615560 322410876 /nfs/dbraw/zinc/41/08/76/322410876.db2.gz KYUFXHUBGRKQDV-CYBMUJFWSA-N 1 2 299.296 2.088 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCCC1(C)C)C(=O)OC ZINC000558800751 327120981 /nfs/dbraw/zinc/12/09/81/327120981.db2.gz MZXKIHXWPQNJKS-QWHCGFSZSA-N 1 2 269.385 2.289 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(C)(C#N)CC2)n1C1CC1 ZINC000408157543 327141588 /nfs/dbraw/zinc/14/15/88/327141588.db2.gz DIDHEYMXXISNSM-UHFFFAOYSA-N 1 2 259.357 2.047 20 30 CEEDLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000569382121 327170602 /nfs/dbraw/zinc/17/06/02/327170602.db2.gz OKXSLNMJLPHDDE-LBPRGKRZSA-N 1 2 259.353 2.218 20 30 CEEDLO Cn1c(C[NH+]2CCC(CCC#N)CC2)nnc1C1CC1 ZINC000574515792 327340928 /nfs/dbraw/zinc/34/09/28/327340928.db2.gz UYVQIYOPTOJKNU-UHFFFAOYSA-N 1 2 273.384 2.208 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000583436057 327362653 /nfs/dbraw/zinc/36/26/53/327362653.db2.gz PYRSERYQRNLJIU-SNVBAGLBSA-N 1 2 277.349 2.068 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000583449698 327372956 /nfs/dbraw/zinc/37/29/56/327372956.db2.gz SSZJSFCALXNURJ-UWRLEFKFSA-N 1 2 289.423 2.209 20 30 CEEDLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000561235100 327377977 /nfs/dbraw/zinc/37/79/77/327377977.db2.gz VHAPHGKNVJLQIC-UONOGXRCSA-N 1 2 286.379 2.128 20 30 CEEDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000561235100 327377978 /nfs/dbraw/zinc/37/79/78/327377978.db2.gz VHAPHGKNVJLQIC-UONOGXRCSA-N 1 2 286.379 2.128 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000569738685 327544078 /nfs/dbraw/zinc/54/40/78/327544078.db2.gz FUGBQQASUHDYQV-WCQYABFASA-N 1 2 287.363 2.498 20 30 CEEDLO C=CCCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375259408 329002131 /nfs/dbraw/zinc/00/21/31/329002131.db2.gz WKPAHLQVBQOUTB-ZIAGYGMSSA-N 1 2 273.380 2.236 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C#Cc1ccccc1)CCC2 ZINC000378243913 329044138 /nfs/dbraw/zinc/04/41/38/329044138.db2.gz OHVJIWOYIFDGQB-MRXNPFEDSA-N 1 2 293.370 2.237 20 30 CEEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C2(C#N)CCC2)c1 ZINC000378387143 329048202 /nfs/dbraw/zinc/04/82/02/329048202.db2.gz XMBDCHGWJUFBBI-UHFFFAOYSA-N 1 2 294.358 2.397 20 30 CEEDLO Cc1nc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000360036745 329070303 /nfs/dbraw/zinc/07/03/03/329070303.db2.gz OUNXREKAPYZTPJ-OLZOCXBDSA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1nc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000360036745 329070304 /nfs/dbraw/zinc/07/03/04/329070304.db2.gz OUNXREKAPYZTPJ-OLZOCXBDSA-N 1 2 273.340 2.001 20 30 CEEDLO C#CCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000173330686 329145956 /nfs/dbraw/zinc/14/59/56/329145956.db2.gz QRAVMCCDQVBVNS-LBPRGKRZSA-N 1 2 260.341 2.060 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000181290143 329230081 /nfs/dbraw/zinc/23/00/81/329230081.db2.gz IZMWFWZYJGYCIG-CQSZACIVSA-N 1 2 258.321 2.280 20 30 CEEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000181290143 329230082 /nfs/dbraw/zinc/23/00/82/329230082.db2.gz IZMWFWZYJGYCIG-CQSZACIVSA-N 1 2 258.321 2.280 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000185520016 329326065 /nfs/dbraw/zinc/32/60/65/329326065.db2.gz UCLNMJYKMIWZDV-JKSUJKDBSA-N 1 2 294.439 2.302 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000187189208 329354311 /nfs/dbraw/zinc/35/43/11/329354311.db2.gz QLRBMUMURHXQFZ-ZDUSSCGKSA-N 1 2 295.342 2.096 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2ccsc21 ZINC000572367849 330011509 /nfs/dbraw/zinc/01/15/09/330011509.db2.gz KZSZEIWJCFJFMJ-HNNXBMFYSA-N 1 2 287.388 2.475 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)OCC ZINC000270065170 330073279 /nfs/dbraw/zinc/07/32/79/330073279.db2.gz QBGUEGAPVLUCHF-UONOGXRCSA-N 1 2 291.395 2.487 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000278735585 330119984 /nfs/dbraw/zinc/11/99/84/330119984.db2.gz RLQNLJAHRHNNLC-ZWNOBZJWSA-N 1 2 262.309 2.010 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cccc(OC(F)F)c2)nn1 ZINC000424175254 330315298 /nfs/dbraw/zinc/31/52/98/330315298.db2.gz TZIKUWQJIOKSQF-UHFFFAOYSA-N 1 2 294.305 2.355 20 30 CEEDLO N#CC1(C(=O)NCCCCn2cc[nH+]c2)CCCCC1 ZINC000044389364 330328060 /nfs/dbraw/zinc/32/80/60/330328060.db2.gz SSQBXYAEZRFCQY-UHFFFAOYSA-N 1 2 274.368 2.254 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(F)cn2)nn1 ZINC000424293153 330335287 /nfs/dbraw/zinc/33/52/87/330335287.db2.gz IELZTHYUWAFBSF-ZDUSSCGKSA-N 1 2 275.331 2.239 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)nn1 ZINC000424295927 330336029 /nfs/dbraw/zinc/33/60/29/330336029.db2.gz NTHYJTIIBHYHSH-OAHLLOKOSA-N 1 2 287.342 2.239 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)c(OC)c2)nn1 ZINC000424297108 330336311 /nfs/dbraw/zinc/33/63/11/330336311.db2.gz PWSCECHGRMOKAT-LLVKDONJSA-N 1 2 290.342 2.463 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)nn1 ZINC000424299547 330336859 /nfs/dbraw/zinc/33/68/59/330336859.db2.gz VNROERBYYQETCS-GFCCVEGCSA-N 1 2 299.378 2.273 20 30 CEEDLO CN(CCC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445810351 330837923 /nfs/dbraw/zinc/83/79/23/330837923.db2.gz JVTNVUVUZMFWTH-UHFFFAOYSA-N 1 2 254.337 2.277 20 30 CEEDLO CCCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)OC ZINC000446766948 330853911 /nfs/dbraw/zinc/85/39/11/330853911.db2.gz TYJURKMYGGKTKZ-AVGNSLFASA-N 1 2 252.358 2.390 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OCC ZINC000449655843 330942209 /nfs/dbraw/zinc/94/22/09/330942209.db2.gz HZJQSFADCHBOLS-SDDRHHMPSA-N 1 2 257.399 2.225 20 30 CEEDLO C[C@@]([NH2+]CC1(C#N)CCC1)(C(N)=O)c1cccc(Cl)c1 ZINC000450586381 330988006 /nfs/dbraw/zinc/98/80/06/330988006.db2.gz XZCMEPBMRJMNAJ-AWEZNQCLSA-N 1 2 291.782 2.324 20 30 CEEDLO N#CC1(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000451286017 331023175 /nfs/dbraw/zinc/02/31/75/331023175.db2.gz ROCCRVMGOPEJLW-WBVHZDCISA-N 1 2 288.366 2.480 20 30 CEEDLO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000451286017 331023176 /nfs/dbraw/zinc/02/31/76/331023176.db2.gz ROCCRVMGOPEJLW-WBVHZDCISA-N 1 2 288.366 2.480 20 30 CEEDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)C(C)C ZINC000451600403 331035841 /nfs/dbraw/zinc/03/58/41/331035841.db2.gz YNFMBLJEQUSTAL-LBPRGKRZSA-N 1 2 254.374 2.492 20 30 CEEDLO C=CC[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454534394 331148151 /nfs/dbraw/zinc/14/81/51/331148151.db2.gz ULVATJWBEDJSAO-GHMZBOCLSA-N 1 2 250.346 2.228 20 30 CEEDLO C=C(C)CCNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000454701414 331151788 /nfs/dbraw/zinc/15/17/88/331151788.db2.gz QEMQNWDIYULCJG-GFCCVEGCSA-N 1 2 262.357 2.026 20 30 CEEDLO C=C(C)CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000455331170 331166493 /nfs/dbraw/zinc/16/64/93/331166493.db2.gz WJTXKJGSVXZVFR-AWEZNQCLSA-N 1 2 275.352 2.211 20 30 CEEDLO C=CCCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455468797 331170450 /nfs/dbraw/zinc/17/04/50/331170450.db2.gz NKMAPGWOPMYLOB-NSHDSACASA-N 1 2 250.346 2.182 20 30 CEEDLO C=CCCCN(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455493110 331170975 /nfs/dbraw/zinc/17/09/75/331170975.db2.gz ZHLMGQUNJQXFKP-RYUDHWBXSA-N 1 2 262.357 2.497 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CC#N)c1 ZINC000455920716 331181098 /nfs/dbraw/zinc/18/10/98/331181098.db2.gz NVZGYUKKDSLPFY-GFCCVEGCSA-N 1 2 283.335 2.159 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)c1[nH+]ccn1CC)OCC ZINC000456350327 331190454 /nfs/dbraw/zinc/19/04/54/331190454.db2.gz JRHFKDAHZYCJAW-CHWSQXEVSA-N 1 2 279.384 2.452 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(CC#N)c1 ZINC000456391211 331192080 /nfs/dbraw/zinc/19/20/80/331192080.db2.gz PMVDFAVWUNIWDH-LBPRGKRZSA-N 1 2 282.347 2.460 20 30 CEEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456410334 331192248 /nfs/dbraw/zinc/19/22/48/331192248.db2.gz GGEYVAYJHAURBO-NEPJUHHUSA-N 1 2 298.346 2.279 20 30 CEEDLO C=CC[N@@H+](Cc1cnnn1CC)Cc1ccccc1 ZINC000459296570 331274957 /nfs/dbraw/zinc/27/49/57/331274957.db2.gz QXOIHJVZNYUROB-UHFFFAOYSA-N 1 2 256.353 2.486 20 30 CEEDLO C=CC[N@H+](Cc1cnnn1CC)Cc1ccccc1 ZINC000459296570 331274958 /nfs/dbraw/zinc/27/49/58/331274958.db2.gz QXOIHJVZNYUROB-UHFFFAOYSA-N 1 2 256.353 2.486 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)c1cccs1 ZINC000489439056 332052404 /nfs/dbraw/zinc/05/24/04/332052404.db2.gz NGFCBAVRMZBVFY-GFCCVEGCSA-N 1 2 292.404 2.088 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)c1cccs1 ZINC000489439056 332052405 /nfs/dbraw/zinc/05/24/05/332052405.db2.gz NGFCBAVRMZBVFY-GFCCVEGCSA-N 1 2 292.404 2.088 20 30 CEEDLO C#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000491232085 332171330 /nfs/dbraw/zinc/17/13/30/332171330.db2.gz XZRNYVGTKMXCCP-AWEZNQCLSA-N 1 2 287.750 2.486 20 30 CEEDLO C#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000491232085 332171331 /nfs/dbraw/zinc/17/13/31/332171331.db2.gz XZRNYVGTKMXCCP-AWEZNQCLSA-N 1 2 287.750 2.486 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000491387146 332202637 /nfs/dbraw/zinc/20/26/37/332202637.db2.gz XLNBXJYYEKZMKV-CQSZACIVSA-N 1 2 258.365 2.382 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000491387146 332202638 /nfs/dbraw/zinc/20/26/38/332202638.db2.gz XLNBXJYYEKZMKV-CQSZACIVSA-N 1 2 258.365 2.382 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccc(F)cc1 ZINC000491394362 332203796 /nfs/dbraw/zinc/20/37/96/332203796.db2.gz LVTVHLMOBXWMMT-HNNXBMFYSA-N 1 2 284.338 2.146 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000491450719 332213166 /nfs/dbraw/zinc/21/31/66/332213166.db2.gz BSDXAVDPASVNHJ-ZFWWWQNUSA-N 1 2 283.375 2.046 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000491450719 332213167 /nfs/dbraw/zinc/21/31/67/332213167.db2.gz BSDXAVDPASVNHJ-ZFWWWQNUSA-N 1 2 283.375 2.046 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C1CC1 ZINC000491545243 332234934 /nfs/dbraw/zinc/23/49/34/332234934.db2.gz PMARJLKPMOYKSS-UHFFFAOYSA-N 1 2 282.387 2.280 20 30 CEEDLO C#CC[N@H+](CC(=O)NC1(c2ccccc2)CCC1)C1CC1 ZINC000491545243 332234935 /nfs/dbraw/zinc/23/49/35/332234935.db2.gz PMARJLKPMOYKSS-UHFFFAOYSA-N 1 2 282.387 2.280 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(-c2ccccc2C)nn1 ZINC000491568020 332239692 /nfs/dbraw/zinc/23/96/92/332239692.db2.gz OLGGTIQTWZREJT-CYBMUJFWSA-N 1 2 254.337 2.029 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(-c2ccccc2C)nn1 ZINC000491568020 332239694 /nfs/dbraw/zinc/23/96/94/332239694.db2.gz OLGGTIQTWZREJT-CYBMUJFWSA-N 1 2 254.337 2.029 20 30 CEEDLO C#C[C@H](CC)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491639594 332259754 /nfs/dbraw/zinc/25/97/54/332259754.db2.gz WVHSZIVBTINWHI-OAHLLOKOSA-N 1 2 281.359 2.002 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C1CC1 ZINC000491641109 332260543 /nfs/dbraw/zinc/26/05/43/332260543.db2.gz ZLKWKNSWHUEDLE-UHFFFAOYSA-N 1 2 290.329 2.131 20 30 CEEDLO C#CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C1CC1 ZINC000491641109 332260544 /nfs/dbraw/zinc/26/05/44/332260544.db2.gz ZLKWKNSWHUEDLE-UHFFFAOYSA-N 1 2 290.329 2.131 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491723209 332307953 /nfs/dbraw/zinc/30/79/53/332307953.db2.gz APZCDFPVIIFKRI-ZFWWWQNUSA-N 1 2 296.374 2.173 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000491765809 332334142 /nfs/dbraw/zinc/33/41/42/332334142.db2.gz FQDCBHQXLTXJOA-OAHLLOKOSA-N 1 2 296.374 2.473 20 30 CEEDLO C#CCN(C(=O)NCc1c[nH+]ccc1OC)C1CCCC1 ZINC000491768619 332336128 /nfs/dbraw/zinc/33/61/28/332336128.db2.gz IOKJAMLAOBGPOT-UHFFFAOYSA-N 1 2 287.363 2.178 20 30 CEEDLO C#CC[NH+]1CCN(c2cc(C)nc(-c3cccs3)n2)CC1 ZINC000491809186 332361924 /nfs/dbraw/zinc/36/19/24/332361924.db2.gz XHEBWMSTYYFNNB-UHFFFAOYSA-N 1 2 298.415 2.269 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492296035 332391350 /nfs/dbraw/zinc/39/13/50/332391350.db2.gz FOIDPIIBYUJMFB-AATRIKPKSA-N 1 2 287.285 2.493 20 30 CEEDLO C[C@@H]1CC(NC(=O)C=Cc2ccc(-n3cc[nH+]c3)cc2)=NO1 ZINC000492388243 332395293 /nfs/dbraw/zinc/39/52/93/332395293.db2.gz BZSNFDMGOZNIDS-RPTYSRGTSA-N 1 2 296.330 2.124 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492791097 332413652 /nfs/dbraw/zinc/41/36/52/332413652.db2.gz BCCPEVORUSPZDE-KVPUOBJLSA-N 1 2 279.343 2.174 20 30 CEEDLO N#CCc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492915670 332418489 /nfs/dbraw/zinc/41/84/89/332418489.db2.gz XBZSPFZJIGFDMB-AATRIKPKSA-N 1 2 252.277 2.128 20 30 CEEDLO C#CCN(C(=O)c1ccc2[nH+]ccn2c1)C1CCCC1 ZINC000176245965 333040486 /nfs/dbraw/zinc/04/04/86/333040486.db2.gz GASBBDUBTYGBFN-UHFFFAOYSA-N 1 2 267.332 2.352 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000192232466 333233262 /nfs/dbraw/zinc/23/32/62/333233262.db2.gz RQRCDXKKBHAHAK-NSHDSACASA-N 1 2 262.378 2.301 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000192232466 333233263 /nfs/dbraw/zinc/23/32/63/333233263.db2.gz RQRCDXKKBHAHAK-NSHDSACASA-N 1 2 262.378 2.301 20 30 CEEDLO COc1ccccc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000227354069 333281616 /nfs/dbraw/zinc/28/16/16/333281616.db2.gz YDXLXZJBPYIMPQ-UHFFFAOYSA-N 1 2 287.363 2.259 20 30 CEEDLO N#CCCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000576156074 335161702 /nfs/dbraw/zinc/16/17/02/335161702.db2.gz VUNDBMGAHQPIAF-UHFFFAOYSA-N 1 2 260.341 2.463 20 30 CEEDLO N#CC1CC[NH+](CN2C(=O)OC[C@@H]2Cc2ccccc2)CC1 ZINC000131099560 333901950 /nfs/dbraw/zinc/90/19/50/333901950.db2.gz QGKBVEFTPKHUHC-INIZCTEOSA-N 1 2 299.374 2.243 20 30 CEEDLO N#CCc1cc[nH+]c(NCc2cnc(N3CCCC3)nc2)c1 ZINC000545928101 334007283 /nfs/dbraw/zinc/00/72/83/334007283.db2.gz ZEAWBGZWJRQFRW-UHFFFAOYSA-N 1 2 294.362 2.150 20 30 CEEDLO CNC(=O)c1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000546633246 334042226 /nfs/dbraw/zinc/04/22/26/334042226.db2.gz JKVBICZMIBYGCO-UHFFFAOYSA-N 1 2 280.331 2.119 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC#N ZINC000134642641 334098785 /nfs/dbraw/zinc/09/87/85/334098785.db2.gz QHQPHPOHYJMTRM-RYUDHWBXSA-N 1 2 267.373 2.278 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC#N ZINC000134642641 334098787 /nfs/dbraw/zinc/09/87/87/334098787.db2.gz QHQPHPOHYJMTRM-RYUDHWBXSA-N 1 2 267.373 2.278 20 30 CEEDLO COc1cc2c(cc1C[NH2+]C[C@@H](C)C#N)O[C@H](C)C2 ZINC000134865068 334106256 /nfs/dbraw/zinc/10/62/56/334106256.db2.gz MHBHJROOJVKRGU-WDEREUQCSA-N 1 2 260.337 2.268 20 30 CEEDLO C=C(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548653998 334165170 /nfs/dbraw/zinc/16/51/70/334165170.db2.gz TZKNOQQIHYNEIU-AWEZNQCLSA-N 1 2 284.363 2.385 20 30 CEEDLO CCCC(C)(C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565050444 334536504 /nfs/dbraw/zinc/53/65/04/334536504.db2.gz CLCXDNIAYOQYGJ-CQSZACIVSA-N 1 2 253.390 2.163 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000568667885 334835632 /nfs/dbraw/zinc/83/56/32/334835632.db2.gz SPBLEXMQQORRTD-OAHLLOKOSA-N 1 2 282.347 2.124 20 30 CEEDLO Cc1ccsc1CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572768757 334876723 /nfs/dbraw/zinc/87/67/23/334876723.db2.gz GTJDCONORKPSRA-HNNXBMFYSA-N 1 2 293.436 2.339 20 30 CEEDLO C=CCCCCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000577623027 335380463 /nfs/dbraw/zinc/38/04/63/335380463.db2.gz BLTHVOQHUNVZRZ-CYBMUJFWSA-N 1 2 264.373 2.317 20 30 CEEDLO COc1ncc(C[NH2+]C[C@H](C#N)CCC#N)cc1Cl ZINC000578232523 335589403 /nfs/dbraw/zinc/58/94/03/335589403.db2.gz WDRXGKUSQKLJMT-JTQLQIEISA-N 1 2 278.743 2.277 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000183501909 335895537 /nfs/dbraw/zinc/89/55/37/335895537.db2.gz QCUTZMFHORWPNA-CYBMUJFWSA-N 1 2 264.373 2.317 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000581022317 335998284 /nfs/dbraw/zinc/99/82/84/335998284.db2.gz ROCGKHFAQONWKP-AWEZNQCLSA-N 1 2 299.334 2.149 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000184196429 518633433 /nfs/dbraw/zinc/63/34/33/518633433.db2.gz UBMMJRNDACVGJH-QWHCGFSZSA-N 1 2 295.452 2.224 20 30 CEEDLO CC#CCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000184082020 519332577 /nfs/dbraw/zinc/33/25/77/519332577.db2.gz UOCHPGLYGUBNSH-UHFFFAOYSA-N 1 2 259.353 2.193 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)ccn1 ZINC000610991831 501030169 /nfs/dbraw/zinc/03/01/69/501030169.db2.gz LDTHLFQUJLMQKO-UHFFFAOYSA-N 1 2 298.312 2.023 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccn1 ZINC000610991831 501030172 /nfs/dbraw/zinc/03/01/72/501030172.db2.gz LDTHLFQUJLMQKO-UHFFFAOYSA-N 1 2 298.312 2.023 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000188512992 518365580 /nfs/dbraw/zinc/36/55/80/518365580.db2.gz BHSXJSAVDONIEX-KRWDZBQOSA-N 1 2 298.386 2.250 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000188512992 518365588 /nfs/dbraw/zinc/36/55/88/518365588.db2.gz BHSXJSAVDONIEX-KRWDZBQOSA-N 1 2 298.386 2.250 20 30 CEEDLO C=CC[N@H+](CC(=O)NC1CC1)Cc1ccccc1F ZINC000056312517 518755622 /nfs/dbraw/zinc/75/56/22/518755622.db2.gz CNVPXBHKYAVNDP-UHFFFAOYSA-N 1 2 262.328 2.092 20 30 CEEDLO C=CC[N@@H+](CC(=O)NC1CC1)Cc1ccccc1F ZINC000056312517 518755626 /nfs/dbraw/zinc/75/56/26/518755626.db2.gz CNVPXBHKYAVNDP-UHFFFAOYSA-N 1 2 262.328 2.092 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCC(C#N)CC3)cn21 ZINC000069479363 524982227 /nfs/dbraw/zinc/98/22/27/524982227.db2.gz ZCAQBXOQDCRNEZ-UHFFFAOYSA-N 1 2 297.362 2.088 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)C2)c1 ZINC000353810367 526902257 /nfs/dbraw/zinc/90/22/57/526902257.db2.gz DAVIONVLXZELFR-DJJJIMSYSA-N 1 2 279.405 2.204 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)C2)c1 ZINC000353810367 526902261 /nfs/dbraw/zinc/90/22/61/526902261.db2.gz DAVIONVLXZELFR-DJJJIMSYSA-N 1 2 279.405 2.204 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000352544669 527012337 /nfs/dbraw/zinc/01/23/37/527012337.db2.gz CGFHCRUAGNISJR-HNNXBMFYSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000352544669 527012341 /nfs/dbraw/zinc/01/23/41/527012341.db2.gz CGFHCRUAGNISJR-HNNXBMFYSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347325063 527310324 /nfs/dbraw/zinc/31/03/24/527310324.db2.gz VOXHDNJERMGHRH-GFCCVEGCSA-N 1 2 262.357 2.089 20 30 CEEDLO C=C[C@@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355031840 527402276 /nfs/dbraw/zinc/40/22/76/527402276.db2.gz BHHIHALWZVIIBK-CYBMUJFWSA-N 1 2 269.348 2.165 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000355982996 527492326 /nfs/dbraw/zinc/49/23/26/527492326.db2.gz BXNUFFLLBKRMOL-UHFFFAOYSA-N 1 2 268.320 2.141 20 30 CEEDLO C=CC[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000347205532 527578236 /nfs/dbraw/zinc/57/82/36/527578236.db2.gz QYBNBOVJDTVRHE-MRVPVSSYSA-N 1 2 256.147 2.418 20 30 CEEDLO C=CC[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000347205532 527578241 /nfs/dbraw/zinc/57/82/41/527578241.db2.gz QYBNBOVJDTVRHE-MRVPVSSYSA-N 1 2 256.147 2.418 20 30 CEEDLO COC(=O)c1coc(CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000726595225 574427931 /nfs/dbraw/zinc/42/79/31/574427931.db2.gz ZZHSEGTVWIEGMU-UHFFFAOYSA-N 1 2 292.266 2.042 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727492359 574452455 /nfs/dbraw/zinc/45/24/55/574452455.db2.gz YEZMXILLHSHKBS-UONOGXRCSA-N 1 2 293.411 2.395 20 30 CEEDLO CN(C)c1ccc(C=[NH+]Nc2ncnc3[nH]cnc32)cc1F ZINC000727651465 574454113 /nfs/dbraw/zinc/45/41/13/574454113.db2.gz ZSAVCIATWRQSLF-UHFFFAOYSA-N 1 2 299.313 2.004 20 30 CEEDLO C#CC[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000728933744 574473943 /nfs/dbraw/zinc/47/39/43/574473943.db2.gz ZLMRDNLPRMPNQQ-GFCCVEGCSA-N 1 2 264.319 2.277 20 30 CEEDLO C#CCN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000728933744 574473944 /nfs/dbraw/zinc/47/39/44/574473944.db2.gz ZLMRDNLPRMPNQQ-GFCCVEGCSA-N 1 2 264.319 2.277 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000730095783 574501431 /nfs/dbraw/zinc/50/14/31/574501431.db2.gz GCOYCCSOQYVCTD-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000730095783 574501432 /nfs/dbraw/zinc/50/14/32/574501432.db2.gz GCOYCCSOQYVCTD-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000734157355 574703945 /nfs/dbraw/zinc/70/39/45/574703945.db2.gz ATMXEKPDZWNGRP-AWEZNQCLSA-N 1 2 267.332 2.232 20 30 CEEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2cccnn2)CCO1 ZINC000735973905 574772725 /nfs/dbraw/zinc/77/27/25/574772725.db2.gz WLNLPTGADBKOKA-ZDUSSCGKSA-N 1 2 297.362 2.148 20 30 CEEDLO CO[NH+]=C(C)c1c(F)cccc1N1CCOCC1 ZINC000741163205 574977771 /nfs/dbraw/zinc/97/77/71/574977771.db2.gz PELRYQYPZVXDLI-UHFFFAOYSA-N 1 2 252.289 2.033 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2SCC)CC1 ZINC000744422479 575120896 /nfs/dbraw/zinc/12/08/96/575120896.db2.gz WZDALNKEEQMCLM-UHFFFAOYSA-N 1 2 288.416 2.190 20 30 CEEDLO NC(=[NH+]OCc1nccs1)c1ccc(F)cc1 ZINC000746557817 575159333 /nfs/dbraw/zinc/15/93/33/575159333.db2.gz MGWZWDOWVQNXEE-UHFFFAOYSA-N 1 2 251.286 2.119 20 30 CEEDLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)o2)cc1C#N ZINC000746577260 575159731 /nfs/dbraw/zinc/15/97/31/575159731.db2.gz TZPMFMZNMFFIEI-VIFPVBQESA-N 1 2 272.308 2.109 20 30 CEEDLO C#CCN(C(=O)CCCn1cc[nH+]c1)C1CCCCC1 ZINC000748638423 575191579 /nfs/dbraw/zinc/19/15/79/575191579.db2.gz IGPPIRXFFYHPAG-UHFFFAOYSA-N 1 2 273.380 2.458 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752090918 575305170 /nfs/dbraw/zinc/30/51/70/575305170.db2.gz DXBLABMIUKMWTD-CHWSQXEVSA-N 1 2 258.793 2.460 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000752090918 575305171 /nfs/dbraw/zinc/30/51/71/575305171.db2.gz DXBLABMIUKMWTD-CHWSQXEVSA-N 1 2 258.793 2.460 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC)C1 ZINC000964526718 613235305 /nfs/dbraw/zinc/23/53/05/613235305.db2.gz HBUUAMGFSXALLE-KOLCDFICSA-N 1 2 289.217 2.132 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC)C1 ZINC000964526718 613235307 /nfs/dbraw/zinc/23/53/07/613235307.db2.gz HBUUAMGFSXALLE-KOLCDFICSA-N 1 2 289.217 2.132 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2occc2CC)C1 ZINC000951633809 612993445 /nfs/dbraw/zinc/99/34/45/612993445.db2.gz ARZUIEVSOHIKSB-UHFFFAOYSA-N 1 2 274.364 2.012 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]cc2C)C1 ZINC000957383355 613295990 /nfs/dbraw/zinc/29/59/90/613295990.db2.gz OKDXMBXPWWTXPK-UHFFFAOYSA-N 1 2 261.369 2.046 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)cncc2C)CC1 ZINC000949280693 613320156 /nfs/dbraw/zinc/32/01/56/613320156.db2.gz DYRCVQZAMODJKE-UHFFFAOYSA-N 1 2 273.380 2.032 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000981883640 613373430 /nfs/dbraw/zinc/37/34/30/613373430.db2.gz ZYMHUMCQELLGKM-YPMHNXCESA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000981883640 613373431 /nfs/dbraw/zinc/37/34/31/613373431.db2.gz ZYMHUMCQELLGKM-YPMHNXCESA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2=COCCC2)C1 ZINC000965396340 613377726 /nfs/dbraw/zinc/37/77/26/613377726.db2.gz SLEQPPQNINFYNE-FZMZJTMJSA-N 1 2 298.814 2.260 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2=COCCC2)C1 ZINC000965396340 613377727 /nfs/dbraw/zinc/37/77/27/613377727.db2.gz SLEQPPQNINFYNE-FZMZJTMJSA-N 1 2 298.814 2.260 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000972247750 613504090 /nfs/dbraw/zinc/50/40/90/613504090.db2.gz VUOOBZKOVZCTBT-GOEBONIOSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000972247750 613504093 /nfs/dbraw/zinc/50/40/93/613504093.db2.gz VUOOBZKOVZCTBT-GOEBONIOSA-N 1 2 291.395 2.310 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000952344516 613563314 /nfs/dbraw/zinc/56/33/14/613563314.db2.gz WJWPQUGOJYNZQF-KRWDZBQOSA-N 1 2 296.414 2.274 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(OC)c(C)c2)C1 ZINC000956956460 613657332 /nfs/dbraw/zinc/65/73/32/613657332.db2.gz YCGOXKWDQWFSTM-UHFFFAOYSA-N 1 2 288.391 2.336 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(c3cccnc3)CCCC2)CC1 ZINC000949899712 613706946 /nfs/dbraw/zinc/70/69/46/613706946.db2.gz JELBRXUZSGSOED-UHFFFAOYSA-N 1 2 299.418 2.224 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000957861737 613710070 /nfs/dbraw/zinc/71/00/70/613710070.db2.gz WHDFVXFNNCNSST-AWEZNQCLSA-N 1 2 290.382 2.335 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000952302197 613710383 /nfs/dbraw/zinc/71/03/83/613710383.db2.gz WNZDZNNHSJIIPS-ZDUSSCGKSA-N 1 2 276.355 2.259 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000949929701 613712839 /nfs/dbraw/zinc/71/28/39/613712839.db2.gz CMIDLUCXDIFCEP-KGLIPLIRSA-N 1 2 250.386 2.143 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001024383585 625538087 /nfs/dbraw/zinc/53/80/87/625538087.db2.gz WVTPTORVZBZXHY-CQSZACIVSA-N 1 2 295.814 2.362 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001024383585 625538095 /nfs/dbraw/zinc/53/80/95/625538095.db2.gz WVTPTORVZBZXHY-CQSZACIVSA-N 1 2 295.814 2.362 20 30 CEEDLO Cc1cccn2c(/C=C\C(=O)c3cnccn3)c[nH+]c12 ZINC000254968208 622697613 /nfs/dbraw/zinc/69/76/13/622697613.db2.gz FQURTBYLZRTGAD-PLNGDYQASA-N 1 2 264.288 2.329 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000890812903 622997182 /nfs/dbraw/zinc/99/71/82/622997182.db2.gz RGQOPUITXBITCN-CYBMUJFWSA-N 1 2 261.369 2.260 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000121163778 623254857 /nfs/dbraw/zinc/25/48/57/623254857.db2.gz KJFWXHDKGVPMOR-UHFFFAOYSA-N 1 2 283.715 2.305 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000121163778 623254869 /nfs/dbraw/zinc/25/48/69/623254869.db2.gz KJFWXHDKGVPMOR-UHFFFAOYSA-N 1 2 283.715 2.305 20 30 CEEDLO COC(=O)c1oc(CO[NH+]=C(N)c2ccccc2)cc1C ZINC000046027106 623271547 /nfs/dbraw/zinc/27/15/47/623271547.db2.gz KYXARAKGHJLUSN-UHFFFAOYSA-N 1 2 288.303 2.212 20 30 CEEDLO CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C#N)c1O ZINC000926599063 625224127 /nfs/dbraw/zinc/22/41/27/625224127.db2.gz CQXGKHGAXPNGIB-KYOSRNDESA-N 1 2 260.337 2.218 20 30 CEEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1scnc1Cl ZINC001024804041 625826902 /nfs/dbraw/zinc/82/69/02/625826902.db2.gz OMPSXYZDCSGLFK-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1scnc1Cl ZINC001024804041 625826911 /nfs/dbraw/zinc/82/69/11/625826911.db2.gz OMPSXYZDCSGLFK-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO CC(C)n1ncnc1CNc1[nH]c2ccc(C#N)cc2[nH+]1 ZINC000902156464 634502658 /nfs/dbraw/zinc/50/26/58/634502658.db2.gz KJKYZSGEDKDSKT-UHFFFAOYSA-N 1 2 281.323 2.219 20 30 CEEDLO C#CCCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180776074 627345804 /nfs/dbraw/zinc/34/58/04/627345804.db2.gz JXOSXMLWTFOHAS-UHFFFAOYSA-N 1 2 254.289 2.443 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892838430 627805078 /nfs/dbraw/zinc/80/50/78/627805078.db2.gz OHTUHXGFKQURBV-LSDHHAIUSA-N 1 2 297.443 2.093 20 30 CEEDLO C[C@@H]1CCN(c2ccc(C#N)cc2CO)C[C@H]1n1cc[nH+]c1 ZINC000892910276 627847376 /nfs/dbraw/zinc/84/73/76/627847376.db2.gz QHKDSLPQZAGJHY-CXAGYDPISA-N 1 2 296.374 2.335 20 30 CEEDLO CC[C@](O)(C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000931474428 628621813 /nfs/dbraw/zinc/62/18/13/628621813.db2.gz FWIMNDCSSGMHCQ-MXWKQRLJSA-N 1 2 264.291 2.314 20 30 CEEDLO CC[C@](O)(C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000931474428 628621818 /nfs/dbraw/zinc/62/18/18/628621818.db2.gz FWIMNDCSSGMHCQ-MXWKQRLJSA-N 1 2 264.291 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001006970170 629403332 /nfs/dbraw/zinc/40/33/32/629403332.db2.gz MLDKAYQIICPCOH-CYBMUJFWSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001006970170 629403336 /nfs/dbraw/zinc/40/33/36/629403336.db2.gz MLDKAYQIICPCOH-CYBMUJFWSA-N 1 2 268.788 2.286 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(F)F)CC1=O ZINC000795408795 629542915 /nfs/dbraw/zinc/54/29/15/629542915.db2.gz LTZJDMITBFQRDX-ZDUSSCGKSA-N 1 2 293.317 2.061 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(F)F)CC1=O ZINC000795408795 629542927 /nfs/dbraw/zinc/54/29/27/629542927.db2.gz LTZJDMITBFQRDX-ZDUSSCGKSA-N 1 2 293.317 2.061 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2ncc(Br)cc2O)C1 ZINC000895010925 629794195 /nfs/dbraw/zinc/79/41/95/629794195.db2.gz YGJZHHOFBWKFIG-WCBMZHEXSA-N 1 2 296.168 2.332 20 30 CEEDLO Cc1[nH]c([C@H]2CCCN2c2ccc(C#N)nn2)[nH+]c1C ZINC000895191641 630022367 /nfs/dbraw/zinc/02/23/67/630022367.db2.gz BXJGQNCRJGZZNG-GFCCVEGCSA-N 1 2 268.324 2.030 20 30 CEEDLO NC(=[NH+]OCCOC1CCSCC1)c1ccc(F)cc1 ZINC000902693651 634784947 /nfs/dbraw/zinc/78/49/47/634784947.db2.gz IQXTZFNUUKFSHV-UHFFFAOYSA-N 1 2 298.383 2.375 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000895384462 630155529 /nfs/dbraw/zinc/15/55/29/630155529.db2.gz PNBKMQSGUNKYMP-UHFFFAOYSA-N 1 2 264.394 2.227 20 30 CEEDLO C[NH+](C)Cc1csc(CNc2ncc(C#N)cc2F)n1 ZINC000895480612 630214904 /nfs/dbraw/zinc/21/49/04/630214904.db2.gz JYRBEXYYIHIJBZ-UHFFFAOYSA-N 1 2 291.355 2.223 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@@H]1SC)C(=O)OCC ZINC000895592054 630268286 /nfs/dbraw/zinc/26/82/86/630268286.db2.gz KTZASCRZDPPAGA-SRVKXCTJSA-N 1 2 257.399 2.368 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CS[C@@H](C)C1)C(=O)OCC ZINC000895593247 630268863 /nfs/dbraw/zinc/26/88/63/630268863.db2.gz YGEKLGAVFJADOZ-TUAOUCFPSA-N 1 2 257.399 2.368 20 30 CEEDLO COC(=O)[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000895592650 630269180 /nfs/dbraw/zinc/26/91/80/630269180.db2.gz WQBVOZNSFDRKBI-KFWWJZLASA-N 1 2 294.395 2.017 20 30 CEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000896152262 630484335 /nfs/dbraw/zinc/48/43/35/630484335.db2.gz KLSWXMYQHSIOHU-MRXNPFEDSA-N 1 2 279.343 2.342 20 30 CEEDLO Cc1cccn2c(CN3CCC[C@@H](C#N)C3)c[nH+]c12 ZINC000896504861 630584903 /nfs/dbraw/zinc/58/49/03/630584903.db2.gz VUUOZOMCEBJJFG-ZDUSSCGKSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)no1 ZINC000896650371 630624961 /nfs/dbraw/zinc/62/49/61/630624961.db2.gz GGAUMQMTRGJVFZ-CQSZACIVSA-N 1 2 297.362 2.326 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)no1 ZINC000896650371 630624964 /nfs/dbraw/zinc/62/49/64/630624964.db2.gz GGAUMQMTRGJVFZ-CQSZACIVSA-N 1 2 297.362 2.326 20 30 CEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccnn1-c1ccccc1 ZINC000798372191 630860174 /nfs/dbraw/zinc/86/01/74/630860174.db2.gz IWXKSZOJQHEPRP-VOTSOKGWSA-N 1 2 264.288 2.492 20 30 CEEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)ccc1O ZINC000840718024 631027772 /nfs/dbraw/zinc/02/77/72/631027772.db2.gz WENFQPXPTBLZND-VURMDHGXSA-N 1 2 285.347 2.396 20 30 CEEDLO O=C1C=C([NH2+]Nc2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000799465405 631028761 /nfs/dbraw/zinc/02/87/61/631028761.db2.gz HSCSKWBYUMNBSR-CYBMUJFWSA-N 1 2 288.307 2.148 20 30 CEEDLO O=C1C=C([NH2+]Nc2cc(F)c(F)c(F)c2)[C@H]2CCCN12 ZINC000799482602 631031813 /nfs/dbraw/zinc/03/18/13/631031813.db2.gz VYEVTSHAVRQIKY-LLVKDONJSA-N 1 2 283.253 2.267 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2cc(C#N)cc(Cl)n2)cn1C ZINC000800815392 631146754 /nfs/dbraw/zinc/14/67/54/631146754.db2.gz XDTFRENZOOIISJ-UHFFFAOYSA-N 1 2 288.742 2.485 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839957040 631398420 /nfs/dbraw/zinc/39/84/20/631398420.db2.gz BBSZJAQVTOTJME-JKSUJKDBSA-N 1 2 283.375 2.206 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839957040 631398424 /nfs/dbraw/zinc/39/84/24/631398424.db2.gz BBSZJAQVTOTJME-JKSUJKDBSA-N 1 2 283.375 2.206 20 30 CEEDLO N#CC1CC[NH+](Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000839978257 631454080 /nfs/dbraw/zinc/45/40/80/631454080.db2.gz CJKURUGMUFXWFR-UHFFFAOYSA-N 1 2 285.326 2.277 20 30 CEEDLO Cc1[nH+]cc(CN2CCO[C@@](C)(C#N)C2)n1-c1ccccc1 ZINC000897584718 631798078 /nfs/dbraw/zinc/79/80/78/631798078.db2.gz KUBPQDIGNUOXNW-KRWDZBQOSA-N 1 2 296.374 2.295 20 30 CEEDLO Cc1cc(F)ncc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897625858 631833436 /nfs/dbraw/zinc/83/34/36/631833436.db2.gz IWSMOJHKMFTOQE-UHFFFAOYSA-N 1 2 262.313 2.147 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897650971 631852146 /nfs/dbraw/zinc/85/21/46/631852146.db2.gz RJTOCOBTBVJJRC-BXUZGUMPSA-N 1 2 276.384 2.261 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897650971 631852152 /nfs/dbraw/zinc/85/21/52/631852152.db2.gz RJTOCOBTBVJJRC-BXUZGUMPSA-N 1 2 276.384 2.261 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@](C)(COC)C2)c1=S ZINC000840105555 631858462 /nfs/dbraw/zinc/85/84/62/631858462.db2.gz FYYDSYPBGRBMRJ-CQSZACIVSA-N 1 2 296.440 2.224 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@](C)(COC)C2)c1=S ZINC000840105555 631858467 /nfs/dbraw/zinc/85/84/67/631858467.db2.gz FYYDSYPBGRBMRJ-CQSZACIVSA-N 1 2 296.440 2.224 20 30 CEEDLO Nc1ccc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000807944694 631890297 /nfs/dbraw/zinc/89/02/97/631890297.db2.gz MHCMGZJZJOFYSJ-UHFFFAOYSA-N 1 2 257.253 2.018 20 30 CEEDLO Cc1c(N[NH+]=Cc2ccc(N)nc2)cccc1[N+](=O)[O-] ZINC000807968893 631893627 /nfs/dbraw/zinc/89/36/27/631893627.db2.gz FHBXVDLHLGTVQX-UHFFFAOYSA-N 1 2 271.280 2.326 20 30 CEEDLO COc1ccc2c(c1F)C/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000809156867 632062309 /nfs/dbraw/zinc/06/23/09/632062309.db2.gz OAPILJAQPOZWNG-BQYQJAHWSA-N 1 2 258.252 2.380 20 30 CEEDLO CN(CCC#N)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000809424516 632090104 /nfs/dbraw/zinc/09/01/04/632090104.db2.gz SISFNEZSPWDYAM-UHFFFAOYSA-N 1 2 253.296 2.391 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2C(F)F)CC1 ZINC000989574026 632206070 /nfs/dbraw/zinc/20/60/70/632206070.db2.gz GCVDBNVWUXCWSK-UHFFFAOYSA-N 1 2 298.358 2.467 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2C(F)F)CC1 ZINC000989574026 632206074 /nfs/dbraw/zinc/20/60/74/632206074.db2.gz GCVDBNVWUXCWSK-UHFFFAOYSA-N 1 2 298.358 2.467 20 30 CEEDLO CC[C@@H](C#N)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810624642 632243712 /nfs/dbraw/zinc/24/37/12/632243712.db2.gz VGOWRXNYVVJSNC-HNNXBMFYSA-N 1 2 283.331 2.319 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502866 632525941 /nfs/dbraw/zinc/52/59/41/632525941.db2.gz IFYQMEHMCXISSI-GFCCVEGCSA-N 1 2 256.365 2.139 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502866 632525942 /nfs/dbraw/zinc/52/59/42/632525942.db2.gz IFYQMEHMCXISSI-GFCCVEGCSA-N 1 2 256.365 2.139 20 30 CEEDLO CC(C)(C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc(C#N)cc1 ZINC000898809783 632602014 /nfs/dbraw/zinc/60/20/14/632602014.db2.gz FFBZZEQGAQFYKU-CQSZACIVSA-N 1 2 294.358 2.294 20 30 CEEDLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000899170325 632724837 /nfs/dbraw/zinc/72/48/37/632724837.db2.gz OVTSYTJOKBQWEX-ZDUSSCGKSA-N 1 2 297.362 2.246 20 30 CEEDLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000899170325 632724839 /nfs/dbraw/zinc/72/48/39/632724839.db2.gz OVTSYTJOKBQWEX-ZDUSSCGKSA-N 1 2 297.362 2.246 20 30 CEEDLO COc1cccc(/C=[NH+]\CCc2cc(C)n(C)n2)c1O ZINC000899226721 632743413 /nfs/dbraw/zinc/74/34/13/632743413.db2.gz XHGXBTPABIBUDG-YBEGLDIGSA-N 1 2 273.336 2.104 20 30 CEEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1ccc(N)nc1 ZINC000814803067 632899751 /nfs/dbraw/zinc/89/97/51/632899751.db2.gz IGLWHNPMDBBNKD-UHFFFAOYSA-N 1 2 251.293 2.372 20 30 CEEDLO Cn1c[nH+]cc1CN=Nc1nnc(-c2ccccc2)s1 ZINC000814947191 632938056 /nfs/dbraw/zinc/93/80/56/632938056.db2.gz GBXNVGIYLZTKPN-UHFFFAOYSA-N 1 2 284.348 2.385 20 30 CEEDLO C=CCC(F)(F)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000814951632 632939188 /nfs/dbraw/zinc/93/91/88/632939188.db2.gz MVXOGVKBAZBHNU-UHFFFAOYSA-N 1 2 283.322 2.090 20 30 CEEDLO CCC(=[NH+]Nc1cnnn1C)c1ccc(Cl)c(N)c1 ZINC000814982178 632946845 /nfs/dbraw/zinc/94/68/45/632946845.db2.gz ZOIHQEZGYNNOGK-UHFFFAOYSA-N 1 2 278.747 2.277 20 30 CEEDLO C=CCC(F)(F)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000816501499 633402305 /nfs/dbraw/zinc/40/23/05/633402305.db2.gz OOKZHXPFGYUWEZ-NSHDSACASA-N 1 2 283.322 2.338 20 30 CEEDLO CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000900342077 633676321 /nfs/dbraw/zinc/67/63/21/633676321.db2.gz KRIQGAHHBHRLLL-GFCCVEGCSA-N 1 2 282.347 2.434 20 30 CEEDLO CO[C@H](CO[NH+]=C(N)c1ccc(F)c(C)c1)C1CC1 ZINC000818076636 633853914 /nfs/dbraw/zinc/85/39/14/633853914.db2.gz MAZIEPMUXVHVSM-CYBMUJFWSA-N 1 2 266.316 2.196 20 30 CEEDLO CC#CC[NH2+]Cc1cc(C(=O)Nc2cccc(OC)c2)no1 ZINC000901395129 634089136 /nfs/dbraw/zinc/08/91/36/634089136.db2.gz HXXWOYRQGYQOMI-UHFFFAOYSA-N 1 2 299.330 2.048 20 30 CEEDLO Cc1cc(C)c(N2CC[C@@H]([NH2+]CCC#N)C2=O)c(C)c1 ZINC000819258656 634119117 /nfs/dbraw/zinc/11/91/17/634119117.db2.gz PKVPMBJDSFOXHS-CQSZACIVSA-N 1 2 271.364 2.220 20 30 CEEDLO CCOc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000819418195 634175957 /nfs/dbraw/zinc/17/59/57/634175957.db2.gz RKDMGGHWBSSQRH-AWEZNQCLSA-N 1 2 291.395 2.012 20 30 CEEDLO CCOc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000819418195 634175962 /nfs/dbraw/zinc/17/59/62/634175962.db2.gz RKDMGGHWBSSQRH-AWEZNQCLSA-N 1 2 291.395 2.012 20 30 CEEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)nn1C ZINC000901555632 634176176 /nfs/dbraw/zinc/17/61/76/634176176.db2.gz WYKIPQDRZNTCDD-WAYWQWQTSA-N 1 2 258.325 2.402 20 30 CEEDLO C=CC[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)C(=O)OC ZINC000901632640 634217974 /nfs/dbraw/zinc/21/79/74/634217974.db2.gz YIBRIOOGADZOIT-CVEARBPZSA-N 1 2 289.375 2.398 20 30 CEEDLO CC(C)n1c[nH+]cc1CN=Nc1ncncc1Cl ZINC000819809570 634269042 /nfs/dbraw/zinc/26/90/42/634269042.db2.gz JXWPPBNXJWZHHK-UHFFFAOYSA-N 1 2 264.720 2.353 20 30 CEEDLO C[C@H]1CC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)=NO1 ZINC000819916466 634280637 /nfs/dbraw/zinc/28/06/37/634280637.db2.gz XIPQBFLUGPDOQR-AAEUAGOBSA-N 1 2 298.346 2.170 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820265304 634366417 /nfs/dbraw/zinc/36/64/17/634366417.db2.gz DYSLICTVMHLDOQ-VXGBXAGGSA-N 1 2 299.305 2.303 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820265304 634366420 /nfs/dbraw/zinc/36/64/20/634366420.db2.gz DYSLICTVMHLDOQ-VXGBXAGGSA-N 1 2 299.305 2.303 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(C#N)ccn1 ZINC000902882084 634877096 /nfs/dbraw/zinc/87/70/96/634877096.db2.gz UCEUCADLARUZMO-MFKMUULPSA-N 1 2 267.336 2.405 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(C#N)ccn1 ZINC000902882084 634877102 /nfs/dbraw/zinc/87/71/02/634877102.db2.gz UCEUCADLARUZMO-MFKMUULPSA-N 1 2 267.336 2.405 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000902999556 634931881 /nfs/dbraw/zinc/93/18/81/634931881.db2.gz ABKVWEFVCKQLSY-STQMWFEESA-N 1 2 254.349 2.009 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000902999556 634931886 /nfs/dbraw/zinc/93/18/86/634931886.db2.gz ABKVWEFVCKQLSY-STQMWFEESA-N 1 2 254.349 2.009 20 30 CEEDLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903086719 634962976 /nfs/dbraw/zinc/96/29/76/634962976.db2.gz IFXSQDMCVWYAIQ-ZYHUDNBSSA-N 1 2 267.336 2.464 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)C ZINC000822665978 634968087 /nfs/dbraw/zinc/96/80/87/634968087.db2.gz BALQJRCCIPPLGQ-KGLIPLIRSA-N 1 2 261.369 2.244 20 30 CEEDLO N#CCC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000824134376 635360633 /nfs/dbraw/zinc/36/06/33/635360633.db2.gz HPSKKTCSHREPNJ-UHFFFAOYSA-N 1 2 251.280 2.485 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000824264362 635391853 /nfs/dbraw/zinc/39/18/53/635391853.db2.gz NYRBIIBWLKMAHN-LLVKDONJSA-N 1 2 253.305 2.048 20 30 CEEDLO CCCCCCN(O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000904204201 635512794 /nfs/dbraw/zinc/51/27/94/635512794.db2.gz HHQYRGZVTRBFEJ-GFCCVEGCSA-N 1 2 265.357 2.244 20 30 CEEDLO C#CCC(C)(C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268766 635538005 /nfs/dbraw/zinc/53/80/05/635538005.db2.gz ILFGBJHGQLLZRM-UHFFFAOYSA-N 1 2 256.309 2.323 20 30 CEEDLO CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000825029265 635543057 /nfs/dbraw/zinc/54/30/57/635543057.db2.gz XWQFJIOEPOVPCN-HUUCEWRRSA-N 1 2 294.358 2.086 20 30 CEEDLO CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000825029265 635543061 /nfs/dbraw/zinc/54/30/61/635543061.db2.gz XWQFJIOEPOVPCN-HUUCEWRRSA-N 1 2 294.358 2.086 20 30 CEEDLO Cn1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC000826861282 635864038 /nfs/dbraw/zinc/86/40/38/635864038.db2.gz DJAVKYHNNHKFRN-SNVBAGLBSA-N 1 2 252.749 2.199 20 30 CEEDLO Cn1ncc(C[N@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC000826861282 635864041 /nfs/dbraw/zinc/86/40/41/635864041.db2.gz DJAVKYHNNHKFRN-SNVBAGLBSA-N 1 2 252.749 2.199 20 30 CEEDLO O=C(C#Cc1cccs1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000826937524 636167051 /nfs/dbraw/zinc/16/70/51/636167051.db2.gz ITNWPPSSGMJEFJ-UHFFFAOYSA-N 1 2 285.372 2.229 20 30 CEEDLO O=C(C#Cc1cccs1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000826937524 636167054 /nfs/dbraw/zinc/16/70/54/636167054.db2.gz ITNWPPSSGMJEFJ-UHFFFAOYSA-N 1 2 285.372 2.229 20 30 CEEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000905291725 636193562 /nfs/dbraw/zinc/19/35/62/636193562.db2.gz RJPNLAFUQAZASH-QMMMGPOBSA-N 1 2 298.799 2.479 20 30 CEEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1nc(Cl)c(C#N)s1 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001015536882 640438148 /nfs/dbraw/zinc/43/81/48/640438148.db2.gz PSBKEESAOUVWJA-NSHDSACASA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001015536882 640438152 /nfs/dbraw/zinc/43/81/52/640438152.db2.gz PSBKEESAOUVWJA-NSHDSACASA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2=COCCC2)[C@@H]1C ZINC000993117489 640456118 /nfs/dbraw/zinc/45/61/18/640456118.db2.gz FWMYHWKJMZYPMI-JSGCOSHPSA-N 1 2 298.814 2.402 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2=COCCC2)[C@@H]1C ZINC000993117489 640456123 /nfs/dbraw/zinc/45/61/23/640456123.db2.gz FWMYHWKJMZYPMI-JSGCOSHPSA-N 1 2 298.814 2.402 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001015637401 640574907 /nfs/dbraw/zinc/57/49/07/640574907.db2.gz OBHJIMAXJBFXCE-HIFRSBDPSA-N 1 2 290.794 2.269 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001015637401 640574909 /nfs/dbraw/zinc/57/49/09/640574909.db2.gz 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C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCO2)CC1 ZINC001000567993 642627866 /nfs/dbraw/zinc/62/78/66/642627866.db2.gz IBOHMQLDZCRLNK-CQSZACIVSA-N 1 2 298.814 2.056 20 30 CEEDLO N#Cc1csc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)n1 ZINC000850374194 642687678 /nfs/dbraw/zinc/68/76/78/642687678.db2.gz KSBDJHOPZWNDIJ-OLZOCXBDSA-N 1 2 271.345 2.283 20 30 CEEDLO N#Cc1cc(NC(=O)Cn2cc[nH+]c2)ccc1C1CC1 ZINC000921822075 642689548 /nfs/dbraw/zinc/68/95/48/642689548.db2.gz RJBQFSCOHLYOJU-UHFFFAOYSA-N 1 2 266.304 2.271 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(OC)o2)CC1 ZINC001003839399 643002764 /nfs/dbraw/zinc/00/27/64/643002764.db2.gz OCZMNNJDVTZMIX-UHFFFAOYSA-N 1 2 298.770 2.235 20 30 CEEDLO C=C(C)[C@H](CC(=O)OCc1ccc(N)[nH+]c1)OCC ZINC000922559554 643120225 /nfs/dbraw/zinc/12/02/25/643120225.db2.gz DBPKTPFMICKKDO-LBPRGKRZSA-N 1 2 264.325 2.078 20 30 CEEDLO C#CC[N@@H+](CC)Cc1cc(Br)cnc1OC ZINC000851799072 643168589 /nfs/dbraw/zinc/16/85/89/643168589.db2.gz LLDVOPUBEANIDY-UHFFFAOYSA-N 1 2 283.169 2.308 20 30 CEEDLO C#CC[N@H+](CC)Cc1cc(Br)cnc1OC ZINC000851799072 643168592 /nfs/dbraw/zinc/16/85/92/643168592.db2.gz LLDVOPUBEANIDY-UHFFFAOYSA-N 1 2 283.169 2.308 20 30 CEEDLO C=C(C)C[C@@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000922747940 643238566 /nfs/dbraw/zinc/23/85/66/643238566.db2.gz ZIFJXOIBAGSJSH-ZDUSSCGKSA-N 1 2 262.353 2.064 20 30 CEEDLO Cc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cc1C#N ZINC000922760713 643250250 /nfs/dbraw/zinc/25/02/50/643250250.db2.gz ZUUCSLAMMGRFML-UHFFFAOYSA-N 1 2 269.352 2.329 20 30 CEEDLO CC1(C)OC[C@@H](CC[N@@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000852214721 643356177 /nfs/dbraw/zinc/35/61/77/643356177.db2.gz GNBQICOWKLSTPT-CQSZACIVSA-N 1 2 272.348 2.415 20 30 CEEDLO CC1(C)OC[C@@H](CC[N@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000852214721 643356183 /nfs/dbraw/zinc/35/61/83/643356183.db2.gz GNBQICOWKLSTPT-CQSZACIVSA-N 1 2 272.348 2.415 20 30 CEEDLO C=C(Br)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000852289334 643379687 /nfs/dbraw/zinc/37/96/87/643379687.db2.gz OQSJTVFLYVVDCH-CYBMUJFWSA-N 1 2 284.197 2.430 20 30 CEEDLO C=C(Br)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000852289334 643379693 /nfs/dbraw/zinc/37/96/93/643379693.db2.gz OQSJTVFLYVVDCH-CYBMUJFWSA-N 1 2 284.197 2.430 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852685054 643511678 /nfs/dbraw/zinc/51/16/78/643511678.db2.gz UJJLKUYOVXWMGN-ZBFHGGJFSA-N 1 2 285.347 2.247 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852685054 643511680 /nfs/dbraw/zinc/51/16/80/643511680.db2.gz UJJLKUYOVXWMGN-ZBFHGGJFSA-N 1 2 285.347 2.247 20 30 CEEDLO C[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC000852687565 643513242 /nfs/dbraw/zinc/51/32/42/643513242.db2.gz VGKJXGKGKXNEHU-BXUZGUMPSA-N 1 2 267.373 2.135 20 30 CEEDLO C[C@H](C[N@H+]1CC[C@](C)(C#N)C1)NC(=O)OC(C)(C)C ZINC000852687565 643513246 /nfs/dbraw/zinc/51/32/46/643513246.db2.gz VGKJXGKGKXNEHU-BXUZGUMPSA-N 1 2 267.373 2.135 20 30 CEEDLO C=C(Br)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000852712868 643522029 /nfs/dbraw/zinc/52/20/29/643522029.db2.gz YDGVXBJZOXPTJF-LLVKDONJSA-N 1 2 292.123 2.496 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccccc2)no1 ZINC000852752497 643537693 /nfs/dbraw/zinc/53/76/93/643537693.db2.gz ALIYIZHMEAWUKC-UHFFFAOYSA-N 1 2 285.347 2.208 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccccc2)no1 ZINC000852752497 643537701 /nfs/dbraw/zinc/53/77/01/643537701.db2.gz ALIYIZHMEAWUKC-UHFFFAOYSA-N 1 2 285.347 2.208 20 30 CEEDLO N#C[C@]1(C(=O)OCc2ccc(N)[nH+]c2)CC2CCC1CC2 ZINC000923263741 643626764 /nfs/dbraw/zinc/62/67/64/643626764.db2.gz HMNABPDSAMZIRY-IJGSQOGDSA-N 1 2 285.347 2.427 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC000923570868 643769020 /nfs/dbraw/zinc/76/90/20/643769020.db2.gz NMAQZTBIIRTQMV-LBPRGKRZSA-N 1 2 291.420 2.094 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC000923570868 643769024 /nfs/dbraw/zinc/76/90/24/643769024.db2.gz NMAQZTBIIRTQMV-LBPRGKRZSA-N 1 2 291.420 2.094 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3occc3s2)C1 ZINC000923577851 643771205 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C#CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000763949679 645593658 /nfs/dbraw/zinc/59/36/58/645593658.db2.gz GPHFHDBLZBMELW-DZGCQCFKSA-N 1 2 262.397 2.121 20 30 CEEDLO C[C@@H](C#N)COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768813606 646168163 /nfs/dbraw/zinc/16/81/63/646168163.db2.gz ULQUDNAIYHCVFH-ZFWWWQNUSA-N 1 2 272.348 2.354 20 30 CEEDLO C[C@@H](C#N)COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768813606 646168167 /nfs/dbraw/zinc/16/81/67/646168167.db2.gz ULQUDNAIYHCVFH-ZFWWWQNUSA-N 1 2 272.348 2.354 20 30 CEEDLO CC(=[NH+]NC(=S)NC1CC1)c1ccccc1N(C)C ZINC000769568575 646287674 /nfs/dbraw/zinc/28/76/74/646287674.db2.gz JFANJQKVWSTNCZ-UHFFFAOYSA-N 1 2 276.409 2.103 20 30 CEEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCCC#N ZINC000769952945 646339516 /nfs/dbraw/zinc/33/95/16/646339516.db2.gz HXQFIGWOVOIZRH-NEPJUHHUSA-N 1 2 289.354 2.163 20 30 CEEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCCC#N ZINC000769952945 646339519 /nfs/dbraw/zinc/33/95/19/646339519.db2.gz HXQFIGWOVOIZRH-NEPJUHHUSA-N 1 2 289.354 2.163 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000862579307 646515687 /nfs/dbraw/zinc/51/56/87/646515687.db2.gz ULEQGJSDELKIQQ-CYBMUJFWSA-N 1 2 267.332 2.128 20 30 CEEDLO O=C(OCc1ccccc1)N1CCC(=[NH+]n2cccn2)C1 ZINC000863163610 646662152 /nfs/dbraw/zinc/66/21/52/646662152.db2.gz KLVURWCADJGNOV-UHFFFAOYSA-N 1 2 284.319 2.130 20 30 CEEDLO O=C1C/C(=C/c2[nH]cc[nH+]2)C(=O)c2ccccc2N1 ZINC000774141979 646809000 /nfs/dbraw/zinc/80/90/00/646809000.db2.gz PKRPZASXCACONH-CLFYSBASSA-N 1 2 253.261 2.018 20 30 CEEDLO C(=[NH+]OC1CCOCC1)c1ccc(N2CCOCC2)s1 ZINC000774429567 646845437 /nfs/dbraw/zinc/84/54/37/646845437.db2.gz CPTZFLPTEQQBCE-UHFFFAOYSA-N 1 2 296.392 2.114 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776594248 647077000 /nfs/dbraw/zinc/07/70/00/647077000.db2.gz ZQYCWLCNHUTCHZ-NHYWBVRUSA-N 1 2 289.335 2.252 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776594248 647077002 /nfs/dbraw/zinc/07/70/02/647077002.db2.gz ZQYCWLCNHUTCHZ-NHYWBVRUSA-N 1 2 289.335 2.252 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cccnc1Br)[C@@H]1CCCO1 ZINC000865532311 647343941 /nfs/dbraw/zinc/34/39/41/647343941.db2.gz YDODFBUPZVFHMG-NEPJUHHUSA-N 1 2 295.180 2.115 20 30 CEEDLO C#CCCCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000779942321 647374563 /nfs/dbraw/zinc/37/45/63/647374563.db2.gz AOEHLHPSKJPTQS-AWEZNQCLSA-N 1 2 273.380 2.320 20 30 CEEDLO Cc1nc(N(C)CCc2cccc(C#N)c2)cc[nH+]1 ZINC000866122979 647620350 /nfs/dbraw/zinc/62/03/50/647620350.db2.gz CRUDQMIICNDYBM-UHFFFAOYSA-N 1 2 252.321 2.336 20 30 CEEDLO C[C@H]1C[C@@H](CO[NH+]=C(N)c2ccc(F)cc2)CCO1 ZINC000783011682 647669874 /nfs/dbraw/zinc/66/98/74/647669874.db2.gz UUJISEUHIRIOJG-QWRGUYRKSA-N 1 2 266.316 2.278 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(C#N)c1O ZINC000866241927 647688804 /nfs/dbraw/zinc/68/88/04/647688804.db2.gz IBQJSZBLDJDVLG-YPMHNXCESA-N 1 2 259.353 2.009 20 30 CEEDLO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866270064 647708402 /nfs/dbraw/zinc/70/84/02/647708402.db2.gz IUNLYNJRFASRQX-GIPNMCIBSA-N 1 2 280.393 2.027 20 30 CEEDLO CC[C@H](O)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866301853 647724199 /nfs/dbraw/zinc/72/41/99/647724199.db2.gz VUCUEUTTYAPXDD-YPMHNXCESA-N 1 2 262.353 2.466 20 30 CEEDLO C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(C#N)c1O ZINC000866343867 647746239 /nfs/dbraw/zinc/74/62/39/647746239.db2.gz PHOKFOJYSSJLMS-NSHDSACASA-N 1 2 260.337 2.077 20 30 CEEDLO Cc1nnc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866360747 647754654 /nfs/dbraw/zinc/75/46/54/647754654.db2.gz YVWUAGIMNZZLNM-SECBINFHSA-N 1 2 288.376 2.317 20 30 CEEDLO CCn1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)n1 ZINC000866373059 647762565 /nfs/dbraw/zinc/76/25/65/647762565.db2.gz LKCDSYRLIIHJKC-NSHDSACASA-N 1 2 270.336 2.331 20 30 CEEDLO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C#N)c1O ZINC000866386044 647767769 /nfs/dbraw/zinc/76/77/69/647767769.db2.gz WJSJNLRTDBWOMP-QMTHXVAHSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc(C#N)c1O ZINC000866445918 647789968 /nfs/dbraw/zinc/78/99/68/647789968.db2.gz NJZSBGNUOCWLCE-QQLJFRBRSA-N 1 2 284.359 2.338 20 30 CEEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000866586673 647833810 /nfs/dbraw/zinc/83/38/10/647833810.db2.gz DFIIFEHBSBRSOA-AWEZNQCLSA-N 1 2 293.374 2.231 20 30 CEEDLO C=CCC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCCCC1 ZINC000868741624 648247279 /nfs/dbraw/zinc/24/72/79/648247279.db2.gz MKFNFSCXQICQKQ-VOTSOKGWSA-N 1 2 292.423 2.270 20 30 CEEDLO c1ccc(CCNN=C2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000789104323 648259394 /nfs/dbraw/zinc/25/93/94/648259394.db2.gz AABZHOOPVYFQJY-UHFFFAOYSA-N 1 2 295.390 2.265 20 30 CEEDLO COc1cccc(/C=[NH+]/CCc2nnc3ccccn32)c1O ZINC000017309537 648331449 /nfs/dbraw/zinc/33/14/49/648331449.db2.gz HENFMIYFPWAZBL-GZTJUZNOSA-N 1 2 296.330 2.105 20 30 CEEDLO C#CC1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000869082164 648346367 /nfs/dbraw/zinc/34/63/67/648346367.db2.gz FOGZGLUEBOVDND-UHFFFAOYSA-N 1 2 293.370 2.287 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cc(F)c(F)c(F)c1 ZINC000790302116 648404669 /nfs/dbraw/zinc/40/46/69/648404669.db2.gz NPBMVLPYHMYMMF-UHFFFAOYSA-N 1 2 254.215 2.283 20 30 CEEDLO CN(C)C(=O)c1ccc(C(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000792924931 648688388 /nfs/dbraw/zinc/68/83/88/648688388.db2.gz HWHAPSOMKHSMIW-FPLPWBNLSA-N 1 2 269.304 2.008 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c(OC)c1 ZINC000793617205 648782491 /nfs/dbraw/zinc/78/24/91/648782491.db2.gz JNRFEZKRXYEZAX-UONOGXRCSA-N 1 2 275.348 2.102 20 30 CEEDLO C=CCc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c(OC)c1 ZINC000793617205 648782495 /nfs/dbraw/zinc/78/24/95/648782495.db2.gz JNRFEZKRXYEZAX-UONOGXRCSA-N 1 2 275.348 2.102 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1cccc(O)c1F)[C@@H]1CCCO1 ZINC000872064447 649259352 /nfs/dbraw/zinc/25/93/52/649259352.db2.gz YUAREOSDLZGSEE-JKOKRWQUSA-N 1 2 263.312 2.363 20 30 CEEDLO Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2C)nc(N)[nH+]1 ZINC000872421169 649387395 /nfs/dbraw/zinc/38/73/95/649387395.db2.gz BKDIVWBIZWFEAB-UHFFFAOYSA-N 1 2 284.367 2.188 20 30 CEEDLO C=C(Br)C[N@H+](C)CCc1ccccn1 ZINC000124434964 649581801 /nfs/dbraw/zinc/58/18/01/649581801.db2.gz VRDUPFJZUPEDOY-UHFFFAOYSA-N 1 2 255.159 2.465 20 30 CEEDLO C=C(Br)C[N@@H+](C)CCc1ccccn1 ZINC000124434964 649581803 /nfs/dbraw/zinc/58/18/03/649581803.db2.gz VRDUPFJZUPEDOY-UHFFFAOYSA-N 1 2 255.159 2.465 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](CC=C)CCc1ccco1 ZINC000878385995 651083125 /nfs/dbraw/zinc/08/31/25/651083125.db2.gz LBBCQRKIPUCITF-CQSZACIVSA-N 1 2 263.337 2.428 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](CC=C)CCc1ccco1 ZINC000878385995 651083127 /nfs/dbraw/zinc/08/31/27/651083127.db2.gz LBBCQRKIPUCITF-CQSZACIVSA-N 1 2 263.337 2.428 20 30 CEEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000878574469 651133545 /nfs/dbraw/zinc/13/35/45/651133545.db2.gz SYJBQMCVGDWXSB-CYBMUJFWSA-N 1 2 292.354 2.460 20 30 CEEDLO CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[C@@H]1C#N ZINC000878774756 651183559 /nfs/dbraw/zinc/18/35/59/651183559.db2.gz ULANFIULDKSIAQ-DGCLKSJQSA-N 1 2 283.335 2.490 20 30 CEEDLO C#CC1(NC(=O)Nc2cc(C)[nH+]cc2C)CCCC1 ZINC000879076062 651239874 /nfs/dbraw/zinc/23/98/74/651239874.db2.gz UGYBOASBFIZZQN-UHFFFAOYSA-N 1 2 257.337 2.188 20 30 CEEDLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326439 651286620 /nfs/dbraw/zinc/28/66/20/651286620.db2.gz RHLPLVQIIHKDTC-DGCLKSJQSA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326439 651286622 /nfs/dbraw/zinc/28/66/22/651286622.db2.gz RHLPLVQIIHKDTC-DGCLKSJQSA-N 1 2 289.335 2.466 20 30 CEEDLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432817 651302968 /nfs/dbraw/zinc/30/29/68/651302968.db2.gz HZHSKTDOPKEQCR-GFCCVEGCSA-N 1 2 296.378 2.115 20 30 CEEDLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432817 651302970 /nfs/dbraw/zinc/30/29/70/651302970.db2.gz HZHSKTDOPKEQCR-GFCCVEGCSA-N 1 2 296.378 2.115 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880297002 651418389 /nfs/dbraw/zinc/41/83/89/651418389.db2.gz INKIOFNBXJPEGZ-JQWIXIFHSA-N 1 2 293.342 2.387 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880297002 651418390 /nfs/dbraw/zinc/41/83/90/651418390.db2.gz INKIOFNBXJPEGZ-JQWIXIFHSA-N 1 2 293.342 2.387 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880297951 651418941 /nfs/dbraw/zinc/41/89/41/651418941.db2.gz VMCJJRQMBDLOAP-GXTWGEPZSA-N 1 2 276.311 2.064 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CF)C1 ZINC000880297951 651418942 /nfs/dbraw/zinc/41/89/42/651418942.db2.gz VMCJJRQMBDLOAP-GXTWGEPZSA-N 1 2 276.311 2.064 20 30 CEEDLO Cc1cc(CNC(=O)Nc2cccc(CC#N)n2)cc(C)[nH+]1 ZINC000881143905 651599493 /nfs/dbraw/zinc/59/94/93/651599493.db2.gz HUKZHVHYPMJRLM-UHFFFAOYSA-N 1 2 295.346 2.481 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@@H]1CCCO1 ZINC000883233172 652408972 /nfs/dbraw/zinc/40/89/72/652408972.db2.gz BIMKAJATFGDANQ-OLZOCXBDSA-N 1 2 293.415 2.032 20 30 CEEDLO C#CC[C@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000884594465 652934655 /nfs/dbraw/zinc/93/46/55/652934655.db2.gz JMQBWWXANAUBCT-LBPRGKRZSA-N 1 2 283.379 2.431 20 30 CEEDLO NC(CCO)=[NH+]OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000136072063 653039923 /nfs/dbraw/zinc/03/99/23/653039923.db2.gz QVZBNGYZKZCUMH-UHFFFAOYSA-N 1 2 295.726 2.166 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038480702 806639110 /nfs/dbraw/zinc/63/91/10/806639110.db2.gz RBXDECVMKLCGNF-LBPRGKRZSA-N 1 2 294.757 2.307 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038480702 806639112 /nfs/dbraw/zinc/63/91/12/806639112.db2.gz RBXDECVMKLCGNF-LBPRGKRZSA-N 1 2 294.757 2.307 20 30 CEEDLO Cn1cnc(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087742 803275732 /nfs/dbraw/zinc/27/57/32/803275732.db2.gz YJQBNWBBZPSFIG-UHFFFAOYSA-N 1 2 264.292 2.425 20 30 CEEDLO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001283619039 803516084 /nfs/dbraw/zinc/51/60/84/803516084.db2.gz NEYASECDFFSJMX-NWDGAFQWSA-N 1 2 294.399 2.232 20 30 CEEDLO N#Cc1c(F)cc(C[NH+]2CC3(C2)CCOCC3)cc1F ZINC001140754263 803518988 /nfs/dbraw/zinc/51/89/88/803518988.db2.gz SMVGHDDEUBGLNE-UHFFFAOYSA-N 1 2 278.302 2.449 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001267610243 803614000 /nfs/dbraw/zinc/61/40/00/803614000.db2.gz UTPGQGCIXOPYDV-CQSZACIVSA-N 1 2 291.395 2.338 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001267610243 803614003 /nfs/dbraw/zinc/61/40/03/803614003.db2.gz UTPGQGCIXOPYDV-CQSZACIVSA-N 1 2 291.395 2.338 20 30 CEEDLO CC(C)=CC[NH+]1CC(NC(=O)CC#Cc2ccccc2)C1 ZINC001267670297 803650397 /nfs/dbraw/zinc/65/03/97/803650397.db2.gz PCTPGQUJDFCNRV-UHFFFAOYSA-N 1 2 282.387 2.195 20 30 CEEDLO C#CCCCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105162801 803804372 /nfs/dbraw/zinc/80/43/72/803804372.db2.gz YUCCYMYCKSSNOR-AWEZNQCLSA-N 1 2 288.395 2.141 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCC[C@@H]2CCOC2)ccc1F ZINC001117971824 814970966 /nfs/dbraw/zinc/97/09/66/814970966.db2.gz HINKEYUTKMENCQ-NSHDSACASA-N 1 2 266.316 2.198 20 30 CEEDLO N#CC1(c2cc[nH+]c(NC3(CO)CCCC3)c2)CC1 ZINC001167804582 804333059 /nfs/dbraw/zinc/33/30/59/804333059.db2.gz WFFDAYQBXBVEFM-UHFFFAOYSA-N 1 2 257.337 2.354 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1snnc1C(C)C ZINC001038838538 804384815 /nfs/dbraw/zinc/38/48/15/804384815.db2.gz NHBCTHMQSIAQEG-NSHDSACASA-N 1 2 294.424 2.042 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C(C)C ZINC001038838538 804384822 /nfs/dbraw/zinc/38/48/22/804384822.db2.gz NHBCTHMQSIAQEG-NSHDSACASA-N 1 2 294.424 2.042 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139686861 804462089 /nfs/dbraw/zinc/46/20/89/804462089.db2.gz GMYUSFVTRHKBHT-KOLCDFICSA-N 1 2 250.729 2.167 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139686861 804462091 /nfs/dbraw/zinc/46/20/91/804462091.db2.gz GMYUSFVTRHKBHT-KOLCDFICSA-N 1 2 250.729 2.167 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1conc1CC ZINC001028120683 804477020 /nfs/dbraw/zinc/47/70/20/804477020.db2.gz TWEZQGVZRBZUAA-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1conc1CC ZINC001028120683 804477024 /nfs/dbraw/zinc/47/70/24/804477024.db2.gz TWEZQGVZRBZUAA-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001038951044 804594917 /nfs/dbraw/zinc/59/49/17/804594917.db2.gz CHILFCMRHAMCFS-QFQXCOSMSA-N 1 2 286.419 2.027 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001038951044 804594926 /nfs/dbraw/zinc/59/49/26/804594926.db2.gz CHILFCMRHAMCFS-QFQXCOSMSA-N 1 2 286.419 2.027 20 30 CEEDLO C=CCCC[NH+]1CC(NC(=O)c2sc(Cl)nc2C)C1 ZINC001268311333 804606013 /nfs/dbraw/zinc/60/60/13/804606013.db2.gz WQVCSHLRKRFINW-UHFFFAOYSA-N 1 2 299.827 2.485 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CCCOc2ccccc2)C1 ZINC001268481302 804731100 /nfs/dbraw/zinc/73/11/00/804731100.db2.gz BBLXFGNKBMRIDR-UHFFFAOYSA-N 1 2 288.391 2.222 20 30 CEEDLO C=CCCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001268681986 804925932 /nfs/dbraw/zinc/92/59/32/804925932.db2.gz IJOTVUDPUWJGHM-QWRGUYRKSA-N 1 2 292.383 2.069 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C1CC1 ZINC001268726677 804946839 /nfs/dbraw/zinc/94/68/39/804946839.db2.gz ZCXYVMVXQVXASF-WDEREUQCSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C1CC1 ZINC001268726677 804946841 /nfs/dbraw/zinc/94/68/41/804946841.db2.gz ZCXYVMVXQVXASF-WDEREUQCSA-N 1 2 258.793 2.222 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001269898929 805281144 /nfs/dbraw/zinc/28/11/44/805281144.db2.gz FENVOBUZRSFNNZ-CYBMUJFWSA-N 1 2 290.382 2.333 20 30 CEEDLO C[C@H](c1ccccc1)[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030193684 807103307 /nfs/dbraw/zinc/10/33/07/807103307.db2.gz AOZGMOPHMKPUDD-GFCCVEGCSA-N 1 2 294.358 2.062 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001030398339 807166834 /nfs/dbraw/zinc/16/68/34/807166834.db2.gz DXANBNPNXUOJAZ-UHFFFAOYSA-N 1 2 288.366 2.234 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001030581221 807239617 /nfs/dbraw/zinc/23/96/17/807239617.db2.gz VAWDFHOKGDTONN-UHFFFAOYSA-N 1 2 299.349 2.053 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001030631372 807269259 /nfs/dbraw/zinc/26/92/59/807269259.db2.gz CYTSHWQAZCEWQV-UHFFFAOYSA-N 1 2 298.430 2.251 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001030723349 807345025 /nfs/dbraw/zinc/34/50/25/807345025.db2.gz NWCPHYVAUOUPNG-AEGPPILISA-N 1 2 262.397 2.189 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001030754044 807361026 /nfs/dbraw/zinc/36/10/26/807361026.db2.gz GMJMVCXDDDVSMY-UHFFFAOYSA-N 1 2 296.414 2.320 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001030887965 807459777 /nfs/dbraw/zinc/45/97/77/807459777.db2.gz JVGMESQMORUETH-UHFFFAOYSA-N 1 2 272.392 2.222 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001030938413 807523025 /nfs/dbraw/zinc/52/30/25/807523025.db2.gz LMYFHIVRMVVSNG-NSHDSACASA-N 1 2 272.339 2.188 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001031027191 807596183 /nfs/dbraw/zinc/59/61/83/807596183.db2.gz TWKKNCCKEPPRGU-UHFFFAOYSA-N 1 2 290.411 2.017 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC001031178133 807731262 /nfs/dbraw/zinc/73/12/62/807731262.db2.gz NQMOXBRGRGNMQR-PKOBYXMFSA-N 1 2 296.414 2.267 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001031178038 807732096 /nfs/dbraw/zinc/73/20/96/807732096.db2.gz MHOXISDFFBPEJU-UKRRQHHQSA-N 1 2 250.386 2.045 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001031197630 807751661 /nfs/dbraw/zinc/75/16/61/807751661.db2.gz BIRDSCYJMGCBHF-UHFFFAOYSA-N 1 2 275.377 2.220 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc3ccccc32)C1 ZINC001031295004 807872284 /nfs/dbraw/zinc/87/22/84/807872284.db2.gz DVWAAXKKVPNIMG-UHFFFAOYSA-N 1 2 280.371 2.369 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001031331888 807918214 /nfs/dbraw/zinc/91/82/14/807918214.db2.gz MCFVVDXUNPANBQ-UHFFFAOYSA-N 1 2 274.408 2.027 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001031367523 807936789 /nfs/dbraw/zinc/93/67/89/807936789.db2.gz DIBMHXTVWHGCMT-UHFFFAOYSA-N 1 2 294.782 2.339 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2c(CC)oc3ccccc32)C1 ZINC001031448596 807961282 /nfs/dbraw/zinc/96/12/82/807961282.db2.gz VRXHRXRVUNRASZ-UHFFFAOYSA-N 1 2 296.370 2.433 20 30 CEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)C2CCCC2)C1 ZINC001031512648 807982170 /nfs/dbraw/zinc/98/21/70/807982170.db2.gz XNRYITYYRAQUKU-UHFFFAOYSA-N 1 2 297.402 2.296 20 30 CEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](F)CC)cc1 ZINC001038587245 808081147 /nfs/dbraw/zinc/08/11/47/808081147.db2.gz APOJQSCBATYYEP-HZPDHXFCSA-N 1 2 288.366 2.220 20 30 CEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](F)CC)cc1 ZINC001038587245 808081154 /nfs/dbraw/zinc/08/11/54/808081154.db2.gz APOJQSCBATYYEP-HZPDHXFCSA-N 1 2 288.366 2.220 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001031776596 808130760 /nfs/dbraw/zinc/13/07/60/808130760.db2.gz KMRIXVLWDNUGGI-UHFFFAOYSA-N 1 2 281.787 2.046 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107862574 808553698 /nfs/dbraw/zinc/55/36/98/808553698.db2.gz SWVUBGMRJJORRI-INIZCTEOSA-N 1 2 280.412 2.126 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107862574 808553705 /nfs/dbraw/zinc/55/37/05/808553705.db2.gz SWVUBGMRJJORRI-INIZCTEOSA-N 1 2 280.412 2.126 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1C ZINC001032415803 808598929 /nfs/dbraw/zinc/59/89/29/808598929.db2.gz LHXFVHOXZATJKX-STQMWFEESA-N 1 2 288.778 2.180 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1C ZINC001032415803 808598935 /nfs/dbraw/zinc/59/89/35/808598935.db2.gz LHXFVHOXZATJKX-STQMWFEESA-N 1 2 288.778 2.180 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc2c1cccc2C ZINC001032447873 808613685 /nfs/dbraw/zinc/61/36/85/808613685.db2.gz DLGHXKCULWDILY-KBPBESRZSA-N 1 2 294.354 2.273 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc2c1cccc2C ZINC001032447873 808613690 /nfs/dbraw/zinc/61/36/90/808613690.db2.gz DLGHXKCULWDILY-KBPBESRZSA-N 1 2 294.354 2.273 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C(F)F ZINC001032469326 808620715 /nfs/dbraw/zinc/62/07/15/808620715.db2.gz GQJLSZBHNLKDLY-UWVGGRQHSA-N 1 2 297.305 2.005 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C(F)F ZINC001032469326 808620716 /nfs/dbraw/zinc/62/07/16/808620716.db2.gz GQJLSZBHNLKDLY-UWVGGRQHSA-N 1 2 297.305 2.005 20 30 CEEDLO Cc1cnc(C#N)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212354242 808651866 /nfs/dbraw/zinc/65/18/66/808651866.db2.gz KFOTYWLAZRBNAN-UHFFFAOYSA-N 1 2 295.346 2.237 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107967969 808667681 /nfs/dbraw/zinc/66/76/81/808667681.db2.gz ZCHCFXPPWDGYKT-INIZCTEOSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107967969 808667686 /nfs/dbraw/zinc/66/76/86/808667686.db2.gz ZCHCFXPPWDGYKT-INIZCTEOSA-N 1 2 282.428 2.206 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032603529 808725861 /nfs/dbraw/zinc/72/58/61/808725861.db2.gz BRJZIZLIYKRMLI-GJZGRUSLSA-N 1 2 274.408 2.265 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032603529 808725863 /nfs/dbraw/zinc/72/58/63/808725863.db2.gz BRJZIZLIYKRMLI-GJZGRUSLSA-N 1 2 274.408 2.265 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cnn(C)c1Cl ZINC000382423870 808765555 /nfs/dbraw/zinc/76/55/55/808765555.db2.gz XMUSMGYPWRCAPL-UHFFFAOYSA-N 1 2 264.554 2.072 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)Cc1ccccc1 ZINC001032659123 808779907 /nfs/dbraw/zinc/77/99/07/808779907.db2.gz SDHVPBHLSMAVHC-SQNIBIBYSA-N 1 2 296.414 2.174 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)Cc1ccccc1 ZINC001032659123 808779910 /nfs/dbraw/zinc/77/99/10/808779910.db2.gz SDHVPBHLSMAVHC-SQNIBIBYSA-N 1 2 296.414 2.174 20 30 CEEDLO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001128408838 809046687 /nfs/dbraw/zinc/04/66/87/809046687.db2.gz IFFGBVPKZLNCGY-LBPRGKRZSA-N 1 2 265.357 2.106 20 30 CEEDLO Cc1nc(NCCCC[C@H](C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001090059861 809145592 /nfs/dbraw/zinc/14/55/92/809145592.db2.gz AZPCPGMNMXRDED-RYUDHWBXSA-N 1 2 289.383 2.032 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccnc2)C1 ZINC001033727941 809394339 /nfs/dbraw/zinc/39/43/39/809394339.db2.gz KMWFLKBGURROGG-AWEZNQCLSA-N 1 2 293.798 2.371 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccnc2)C1 ZINC001033727941 809394344 /nfs/dbraw/zinc/39/43/44/809394344.db2.gz KMWFLKBGURROGG-AWEZNQCLSA-N 1 2 293.798 2.371 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ocnc2C)C1 ZINC001033788887 809416742 /nfs/dbraw/zinc/41/67/42/809416742.db2.gz LCZWTNCJPZCKLG-LBPRGKRZSA-N 1 2 297.786 2.272 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ocnc2C)C1 ZINC001033788887 809416743 /nfs/dbraw/zinc/41/67/43/809416743.db2.gz LCZWTNCJPZCKLG-LBPRGKRZSA-N 1 2 297.786 2.272 20 30 CEEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034050555 809487764 /nfs/dbraw/zinc/48/77/64/809487764.db2.gz CDSMLHBBTQYWMY-NSHDSACASA-N 1 2 280.368 2.057 20 30 CEEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034050555 809487767 /nfs/dbraw/zinc/48/77/67/809487767.db2.gz CDSMLHBBTQYWMY-NSHDSACASA-N 1 2 280.368 2.057 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001035440973 809783328 /nfs/dbraw/zinc/78/33/28/809783328.db2.gz SQPYJHHIESWLHA-MRXNPFEDSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001035440973 809783330 /nfs/dbraw/zinc/78/33/30/809783330.db2.gz SQPYJHHIESWLHA-MRXNPFEDSA-N 1 2 294.439 2.350 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035496038 809787976 /nfs/dbraw/zinc/78/79/76/809787976.db2.gz KEPZVVRFORHAJQ-HUUCEWRRSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035496038 809787984 /nfs/dbraw/zinc/78/79/84/809787984.db2.gz KEPZVVRFORHAJQ-HUUCEWRRSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001035546138 809789061 /nfs/dbraw/zinc/78/90/61/809789061.db2.gz QGNSRNAZXRKDCP-AWEZNQCLSA-N 1 2 294.420 2.063 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001035546138 809789065 /nfs/dbraw/zinc/78/90/65/809789065.db2.gz QGNSRNAZXRKDCP-AWEZNQCLSA-N 1 2 294.420 2.063 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001035615781 809796893 /nfs/dbraw/zinc/79/68/93/809796893.db2.gz BDGSDLFEDUBGIV-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001035615781 809796895 /nfs/dbraw/zinc/79/68/95/809796895.db2.gz BDGSDLFEDUBGIV-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172161949 815325736 /nfs/dbraw/zinc/32/57/36/815325736.db2.gz REPOOLGRKWXKNL-STQMWFEESA-N 1 2 262.328 2.427 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108172234 810068975 /nfs/dbraw/zinc/06/89/75/810068975.db2.gz AZIXWWLZNPTFHM-MRXNPFEDSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108172234 810068979 /nfs/dbraw/zinc/06/89/79/810068979.db2.gz AZIXWWLZNPTFHM-MRXNPFEDSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001108179392 810094901 /nfs/dbraw/zinc/09/49/01/810094901.db2.gz HIDSXPQJKABRAK-GFCCVEGCSA-N 1 2 299.378 2.003 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncc2F)C1 ZINC001079518425 810216717 /nfs/dbraw/zinc/21/67/17/810216717.db2.gz BHTONLQNVATICG-NOZJJQNGSA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncc2F)C1 ZINC001079518425 810216722 /nfs/dbraw/zinc/21/67/22/810216722.db2.gz BHTONLQNVATICG-NOZJJQNGSA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001079927728 810238957 /nfs/dbraw/zinc/23/89/57/810238957.db2.gz IXPJEWNTPNWKMT-PRHODGIISA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001079927728 810238963 /nfs/dbraw/zinc/23/89/63/810238963.db2.gz IXPJEWNTPNWKMT-PRHODGIISA-N 1 2 297.786 2.094 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015815797 810359020 /nfs/dbraw/zinc/35/90/20/810359020.db2.gz UILNTWKTLJURLF-GFCCVEGCSA-N 1 2 291.420 2.094 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015815797 810359025 /nfs/dbraw/zinc/35/90/25/810359025.db2.gz UILNTWKTLJURLF-GFCCVEGCSA-N 1 2 291.420 2.094 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001016015076 810388079 /nfs/dbraw/zinc/38/80/79/810388079.db2.gz DOXJNTWQNWTPAB-GXTWGEPZSA-N 1 2 293.798 2.128 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001016015076 810388081 /nfs/dbraw/zinc/38/80/81/810388081.db2.gz DOXJNTWQNWTPAB-GXTWGEPZSA-N 1 2 293.798 2.128 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001016189381 810411800 /nfs/dbraw/zinc/41/18/00/810411800.db2.gz YFDOTBOGTAZFGW-CQSZACIVSA-N 1 2 296.773 2.311 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001016189381 810411804 /nfs/dbraw/zinc/41/18/04/810411804.db2.gz YFDOTBOGTAZFGW-CQSZACIVSA-N 1 2 296.773 2.311 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3C)[C@@H]2C1 ZINC001084264973 810455549 /nfs/dbraw/zinc/45/55/49/810455549.db2.gz KIFYGLMZGCAUDS-TZMCWYRMSA-N 1 2 293.798 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3C)[C@@H]2C1 ZINC001084264973 810455555 /nfs/dbraw/zinc/45/55/55/810455555.db2.gz KIFYGLMZGCAUDS-TZMCWYRMSA-N 1 2 293.798 2.222 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001017317341 810510315 /nfs/dbraw/zinc/51/03/15/810510315.db2.gz WQZRJSDHEJKAOQ-CALCHBBNSA-N 1 2 282.387 2.307 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001017317341 810510321 /nfs/dbraw/zinc/51/03/21/810510321.db2.gz WQZRJSDHEJKAOQ-CALCHBBNSA-N 1 2 282.387 2.307 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001017688199 810543379 /nfs/dbraw/zinc/54/33/79/810543379.db2.gz CBIHKKSUSICERV-BETUJISGSA-N 1 2 266.360 2.130 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001017688199 810543384 /nfs/dbraw/zinc/54/33/84/810543384.db2.gz CBIHKKSUSICERV-BETUJISGSA-N 1 2 266.360 2.130 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccsc1 ZINC001017935443 810574663 /nfs/dbraw/zinc/57/46/63/810574663.db2.gz WDIZELRDEZWIFV-AEGPPILISA-N 1 2 288.416 2.160 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccsc1 ZINC001017935443 810574671 /nfs/dbraw/zinc/57/46/71/810574671.db2.gz WDIZELRDEZWIFV-AEGPPILISA-N 1 2 288.416 2.160 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]ccc21 ZINC001017984754 810580247 /nfs/dbraw/zinc/58/02/47/810580247.db2.gz TZUXJMTUMFFHML-OKILXGFUSA-N 1 2 293.370 2.090 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]ccc21 ZINC001017984754 810580251 /nfs/dbraw/zinc/58/02/51/810580251.db2.gz TZUXJMTUMFFHML-OKILXGFUSA-N 1 2 293.370 2.090 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001018129197 810588954 /nfs/dbraw/zinc/58/89/54/810588954.db2.gz UXTISYZQXFFEMP-HPFXQQBRSA-N 1 2 288.435 2.367 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001018129197 810588960 /nfs/dbraw/zinc/58/89/60/810588960.db2.gz UXTISYZQXFFEMP-HPFXQQBRSA-N 1 2 288.435 2.367 20 30 CEEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OC ZINC001172298831 815388229 /nfs/dbraw/zinc/38/82/29/815388229.db2.gz HSVPYLJGCDLGLJ-IUODEOHRSA-N 1 2 272.348 2.197 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sc(C2CC2)nc1C ZINC001038246785 810813291 /nfs/dbraw/zinc/81/32/91/810813291.db2.gz YSUGGMSBXXSROS-LBPRGKRZSA-N 1 2 291.420 2.319 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sc(C2CC2)nc1C ZINC001038246785 810813293 /nfs/dbraw/zinc/81/32/93/810813293.db2.gz YSUGGMSBXXSROS-LBPRGKRZSA-N 1 2 291.420 2.319 20 30 CEEDLO C=CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#CC)cc1 ZINC001038429162 810839388 /nfs/dbraw/zinc/83/93/88/810839388.db2.gz WOHACNDVQBOBMO-MRXNPFEDSA-N 1 2 298.386 2.079 20 30 CEEDLO C=CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#CC)cc1 ZINC001038429162 810839396 /nfs/dbraw/zinc/83/93/96/810839396.db2.gz WOHACNDVQBOBMO-MRXNPFEDSA-N 1 2 298.386 2.079 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1F ZINC001085583516 810839829 /nfs/dbraw/zinc/83/98/29/810839829.db2.gz JYHROJPQPNSBIB-LLVKDONJSA-N 1 2 280.368 2.057 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1F ZINC001085583516 810839840 /nfs/dbraw/zinc/83/98/40/810839840.db2.gz JYHROJPQPNSBIB-LLVKDONJSA-N 1 2 280.368 2.057 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2occc2s1 ZINC001038691137 810891569 /nfs/dbraw/zinc/89/15/69/810891569.db2.gz DQZSWXKRQWGAEF-JTQLQIEISA-N 1 2 276.361 2.484 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc2occc2s1 ZINC001038691137 810891576 /nfs/dbraw/zinc/89/15/76/810891576.db2.gz DQZSWXKRQWGAEF-JTQLQIEISA-N 1 2 276.361 2.484 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c2ccccc12 ZINC001038728011 810899527 /nfs/dbraw/zinc/89/95/27/810899527.db2.gz AIQQXQSRLUDEBL-CYBMUJFWSA-N 1 2 296.345 2.416 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c2ccccc12 ZINC001038728011 810899535 /nfs/dbraw/zinc/89/95/35/810899535.db2.gz AIQQXQSRLUDEBL-CYBMUJFWSA-N 1 2 296.345 2.416 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001085757381 810902827 /nfs/dbraw/zinc/90/28/27/810902827.db2.gz GVNLJCGFLPFKOU-OAHLLOKOSA-N 1 2 295.386 2.256 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001085757381 810902832 /nfs/dbraw/zinc/90/28/32/810902832.db2.gz GVNLJCGFLPFKOU-OAHLLOKOSA-N 1 2 295.386 2.256 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001038837027 810927101 /nfs/dbraw/zinc/92/71/01/810927101.db2.gz KCGRGLSLTXIBLH-MRXNPFEDSA-N 1 2 284.403 2.421 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001038837027 810927109 /nfs/dbraw/zinc/92/71/09/810927109.db2.gz KCGRGLSLTXIBLH-MRXNPFEDSA-N 1 2 284.403 2.421 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2sccc2c1 ZINC001038860912 810932536 /nfs/dbraw/zinc/93/25/36/810932536.db2.gz GQLZTBIMACQCJV-CQSZACIVSA-N 1 2 284.384 2.339 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2sccc2c1 ZINC001038860912 810932539 /nfs/dbraw/zinc/93/25/39/810932539.db2.gz GQLZTBIMACQCJV-CQSZACIVSA-N 1 2 284.384 2.339 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038911756 810943375 /nfs/dbraw/zinc/94/33/75/810943375.db2.gz FFFLFJLHNLPRGS-CYBMUJFWSA-N 1 2 288.416 2.453 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038911756 810943378 /nfs/dbraw/zinc/94/33/78/810943378.db2.gz FFFLFJLHNLPRGS-CYBMUJFWSA-N 1 2 288.416 2.453 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001038912433 810946322 /nfs/dbraw/zinc/94/63/22/810946322.db2.gz JKCDJUBEFHSAAA-CYBMUJFWSA-N 1 2 274.364 2.060 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001038912433 810946328 /nfs/dbraw/zinc/94/63/28/810946328.db2.gz JKCDJUBEFHSAAA-CYBMUJFWSA-N 1 2 274.364 2.060 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(C(C)C)n1 ZINC001085875529 810953007 /nfs/dbraw/zinc/95/30/07/810953007.db2.gz CKRVAHUSFRPQCT-LBPRGKRZSA-N 1 2 291.420 2.046 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C(C)C)n1 ZINC001085875529 810953011 /nfs/dbraw/zinc/95/30/11/810953011.db2.gz CKRVAHUSFRPQCT-LBPRGKRZSA-N 1 2 291.420 2.046 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001038967984 810959369 /nfs/dbraw/zinc/95/93/69/810959369.db2.gz IUHFNRHNZIRTNH-JTQLQIEISA-N 1 2 282.290 2.045 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001038967984 810959372 /nfs/dbraw/zinc/95/93/72/810959372.db2.gz IUHFNRHNZIRTNH-JTQLQIEISA-N 1 2 282.290 2.045 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc2ccc(F)cc12 ZINC001038968816 810959409 /nfs/dbraw/zinc/95/94/09/810959409.db2.gz NEGANWBKKLFWOK-LBPRGKRZSA-N 1 2 286.306 2.009 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2ccc(F)cc12 ZINC001038968816 810959413 /nfs/dbraw/zinc/95/94/13/810959413.db2.gz NEGANWBKKLFWOK-LBPRGKRZSA-N 1 2 286.306 2.009 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001085913225 810962947 /nfs/dbraw/zinc/96/29/47/810962947.db2.gz WPVHFZCLVDUAQR-KRWDZBQOSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001085913225 810962954 /nfs/dbraw/zinc/96/29/54/810962954.db2.gz WPVHFZCLVDUAQR-KRWDZBQOSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001039013368 810969236 /nfs/dbraw/zinc/96/92/36/810969236.db2.gz SGMRMIVYDLWAPN-HNNXBMFYSA-N 1 2 295.386 2.222 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001039013368 810969239 /nfs/dbraw/zinc/96/92/39/810969239.db2.gz SGMRMIVYDLWAPN-HNNXBMFYSA-N 1 2 295.386 2.222 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1sccc1CC ZINC001039039185 810972675 /nfs/dbraw/zinc/97/26/75/810972675.db2.gz BBVQSXMCHPFVST-ZDUSSCGKSA-N 1 2 276.405 2.138 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1CC ZINC001039039185 810972679 /nfs/dbraw/zinc/97/26/79/810972679.db2.gz BBVQSXMCHPFVST-ZDUSSCGKSA-N 1 2 276.405 2.138 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(CC(C)C)s1 ZINC001039076095 810981878 /nfs/dbraw/zinc/98/18/78/810981878.db2.gz GYAZHZXOZGEJGH-LBPRGKRZSA-N 1 2 293.436 2.332 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(CC(C)C)s1 ZINC001039076095 810981884 /nfs/dbraw/zinc/98/18/84/810981884.db2.gz GYAZHZXOZGEJGH-LBPRGKRZSA-N 1 2 293.436 2.332 20 30 CEEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCCC#N ZINC001172475837 815431357 /nfs/dbraw/zinc/43/13/57/815431357.db2.gz CTSMPHHBDGFWFH-ZFWWWQNUSA-N 1 2 274.364 2.443 20 30 CEEDLO C[C@@H]1C[C@H]([N@H+](C)CCC#N)CN1C(=O)OC(C)(C)C ZINC001168846750 811277070 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NERFOZRXCXYJRO-LLVKDONJSA-N 1 2 278.739 2.207 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(F)c(OCC)c(F)c2)CC1 ZINC001144031067 813928263 /nfs/dbraw/zinc/92/82/63/813928263.db2.gz YOZLDKABOYTMCQ-UHFFFAOYSA-N 1 2 294.345 2.114 20 30 CEEDLO CC1(C)C[C@H](NN=Cc2cccc3[nH+]ccn32)CCO1 ZINC000780253615 813953285 /nfs/dbraw/zinc/95/32/85/813953285.db2.gz XCGMIZGQDBIOCU-GFCCVEGCSA-N 1 2 272.352 2.215 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144391411 814047716 /nfs/dbraw/zinc/04/77/16/814047716.db2.gz KMZABEVHHVTZBA-UHFFFAOYSA-N 1 2 298.308 2.162 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COC)C2)cc1 ZINC001144569051 814118274 /nfs/dbraw/zinc/11/82/74/814118274.db2.gz IRQOXLLWSLDIPC-MRXNPFEDSA-N 1 2 295.386 2.147 20 30 CEEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COC)C2)cc1 ZINC001144569051 814118283 /nfs/dbraw/zinc/11/82/83/814118283.db2.gz IRQOXLLWSLDIPC-MRXNPFEDSA-N 1 2 295.386 2.147 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100704847 814176348 /nfs/dbraw/zinc/17/63/48/814176348.db2.gz DFFKNNWANNUNKU-INIZCTEOSA-N 1 2 290.411 2.330 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCOc2ccc(C)cc2)CC1 ZINC001144760005 814180447 /nfs/dbraw/zinc/18/04/47/814180447.db2.gz WOFDQRDBRSOQBX-UHFFFAOYSA-N 1 2 288.391 2.094 20 30 CEEDLO C=C(Cl)C(C)(C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101789576 814313890 /nfs/dbraw/zinc/31/38/90/814313890.db2.gz GZOCXYHUWBNDEF-UHFFFAOYSA-N 1 2 296.802 2.434 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101917615 814337380 /nfs/dbraw/zinc/33/73/80/814337380.db2.gz QVVFIGRNBQZSFR-ZDUSSCGKSA-N 1 2 276.384 2.258 20 30 CEEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccs1)C2 ZINC001147159135 814394066 /nfs/dbraw/zinc/39/40/66/814394066.db2.gz NJVSTIPOTONHHU-UHFFFAOYSA-N 1 2 291.420 2.144 20 30 CEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccs1)C2 ZINC001147159135 814394073 /nfs/dbraw/zinc/39/40/73/814394073.db2.gz NJVSTIPOTONHHU-UHFFFAOYSA-N 1 2 291.420 2.144 20 30 CEEDLO C=CCOc1ccc(C(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001148463913 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C=CCCO[C@@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068252603 343759206 /nfs/dbraw/zinc/75/92/06/343759206.db2.gz HKJIVFLVSHZDOO-AWEZNQCLSA-N 1 2 288.391 2.100 20 30 CEEDLO C[C@@H](NCc1cccc(F)c1C#N)c1[nH+]ccn1C ZINC000602030128 346964980 /nfs/dbraw/zinc/96/49/80/346964980.db2.gz ZNAROODGGOETRF-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO CC(C)C[C@H](C(=O)NCCCCC#N)n1cc[nH+]c1 ZINC000602094327 346972632 /nfs/dbraw/zinc/97/26/32/346972632.db2.gz RYSFUKDEVWRMCZ-CYBMUJFWSA-N 1 2 262.357 2.280 20 30 CEEDLO C=C(Br)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000069608722 343789091 /nfs/dbraw/zinc/78/90/91/343789091.db2.gz VVBKVENCXXLPLM-UHFFFAOYSA-N 1 2 289.217 2.085 20 30 CEEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000069608722 343789094 /nfs/dbraw/zinc/78/90/94/343789094.db2.gz VVBKVENCXXLPLM-UHFFFAOYSA-N 1 2 289.217 2.085 20 30 CEEDLO CCc1c[nH]c(CC(=O)N[C@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000602103852 346974330 /nfs/dbraw/zinc/97/43/30/346974330.db2.gz DEAMJFBGUZIAKA-LLVKDONJSA-N 1 2 282.347 2.264 20 30 CEEDLO CC(C)C[C@H](C(=O)NCC(C)(C)C#N)n1cc[nH+]c1 ZINC000602131782 346979943 /nfs/dbraw/zinc/97/99/43/346979943.db2.gz WEYOPGFXLMMIBQ-GFCCVEGCSA-N 1 2 262.357 2.136 20 30 CEEDLO N#CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000602160259 346984365 /nfs/dbraw/zinc/98/43/65/346984365.db2.gz YERJPFNIGFGSDG-CHWSQXEVSA-N 1 2 266.304 2.218 20 30 CEEDLO N#CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000602160259 346984368 /nfs/dbraw/zinc/98/43/68/346984368.db2.gz YERJPFNIGFGSDG-CHWSQXEVSA-N 1 2 266.304 2.218 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C(F)F)c1F ZINC000602333213 347012751 /nfs/dbraw/zinc/01/27/51/347012751.db2.gz NNYJROQLLHSXQV-CQSZACIVSA-N 1 2 299.296 2.337 20 30 CEEDLO CC[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(C)(C)C ZINC000602334435 347013604 /nfs/dbraw/zinc/01/36/04/347013604.db2.gz RRSAZWUDHVLEQI-SWLSCSKDSA-N 1 2 267.417 2.409 20 30 CEEDLO CC[N@@H+](CC(=O)NC1CCC(C)CC1)C[C@H](C)C#N ZINC000049000628 362321584 /nfs/dbraw/zinc/32/15/84/362321584.db2.gz NUMSQRFOKBRHJE-ROKHWSDSSA-N 1 2 265.401 2.163 20 30 CEEDLO CC[N@H+](CC(=O)NC1CCC(C)CC1)C[C@H](C)C#N ZINC000049000628 362321586 /nfs/dbraw/zinc/32/15/86/362321586.db2.gz NUMSQRFOKBRHJE-ROKHWSDSSA-N 1 2 265.401 2.163 20 30 CEEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989969 299105883 /nfs/dbraw/zinc/10/58/83/299105883.db2.gz WPTBKDZITSDTMT-BXUZGUMPSA-N 1 2 289.335 2.466 20 30 CEEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989969 299105887 /nfs/dbraw/zinc/10/58/87/299105887.db2.gz WPTBKDZITSDTMT-BXUZGUMPSA-N 1 2 289.335 2.466 20 30 CEEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000602427970 347028656 /nfs/dbraw/zinc/02/86/56/347028656.db2.gz MGMBQAMZNLVDCQ-NSHDSACASA-N 1 2 256.313 2.014 20 30 CEEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)n1 ZINC000602428874 347028759 /nfs/dbraw/zinc/02/87/59/347028759.db2.gz LWMHFVHROJDVKH-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102407565 344250319 /nfs/dbraw/zinc/25/03/19/344250319.db2.gz GYUIWSYFQXNIAD-CYBMUJFWSA-N 1 2 277.368 2.110 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102407565 344250320 /nfs/dbraw/zinc/25/03/20/344250320.db2.gz GYUIWSYFQXNIAD-CYBMUJFWSA-N 1 2 277.368 2.110 20 30 CEEDLO Cn1nc2c(c1C[N@H+](CCC#N)CC1CC1)CCCC2 ZINC000602466453 347043600 /nfs/dbraw/zinc/04/36/00/347043600.db2.gz WSJKMGZEILCEFG-UHFFFAOYSA-N 1 2 272.396 2.425 20 30 CEEDLO Cn1nc2c(c1C[N@@H+](CCC#N)CC1CC1)CCCC2 ZINC000602466453 347043604 /nfs/dbraw/zinc/04/36/04/347043604.db2.gz WSJKMGZEILCEFG-UHFFFAOYSA-N 1 2 272.396 2.425 20 30 CEEDLO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115600339 344283650 /nfs/dbraw/zinc/28/36/50/344283650.db2.gz TUHFBZWGALLHDA-RFAUZJTJSA-N 1 2 298.346 2.040 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC1(C#N)CCC1 ZINC000133635280 344369676 /nfs/dbraw/zinc/36/96/76/344369676.db2.gz OGNRIIRYZVIHLK-UHFFFAOYSA-N 1 2 282.347 2.297 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCN1CC(F)F ZINC000602479131 347052125 /nfs/dbraw/zinc/05/21/25/347052125.db2.gz FRLQPYLHVGONCT-AWEZNQCLSA-N 1 2 294.349 2.115 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCN1CC(F)F ZINC000602479131 347052129 /nfs/dbraw/zinc/05/21/29/347052129.db2.gz FRLQPYLHVGONCT-AWEZNQCLSA-N 1 2 294.349 2.115 20 30 CEEDLO N#Cc1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)n1 ZINC000602533845 347069278 /nfs/dbraw/zinc/06/92/78/347069278.db2.gz FMRPOFDHBHLWHF-UHFFFAOYSA-N 1 2 295.268 2.002 20 30 CEEDLO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397620253 344851802 /nfs/dbraw/zinc/85/18/02/344851802.db2.gz RRMKHRVYDFHXOV-CYBMUJFWSA-N 1 2 287.363 2.259 20 30 CEEDLO COc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397620253 344851807 /nfs/dbraw/zinc/85/18/07/344851807.db2.gz RRMKHRVYDFHXOV-CYBMUJFWSA-N 1 2 287.363 2.259 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000569499890 344944555 /nfs/dbraw/zinc/94/45/55/344944555.db2.gz HBJCFORAJGJIOG-OCCSQVGLSA-N 1 2 257.337 2.222 20 30 CEEDLO CC[C@H](Cc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584843952 344992512 /nfs/dbraw/zinc/99/25/12/344992512.db2.gz XENUAGPOGJWYMN-NVXWUHKLSA-N 1 2 287.407 2.215 20 30 CEEDLO C[C@]1(C#N)CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000588675950 345050860 /nfs/dbraw/zinc/05/08/60/345050860.db2.gz FGUAOJYTOPLTQB-OAHLLOKOSA-N 1 2 299.365 2.116 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589497389 345084410 /nfs/dbraw/zinc/08/44/10/345084410.db2.gz RUSNYGRBDDKYFP-LBPRGKRZSA-N 1 2 299.403 2.493 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589497389 345084412 /nfs/dbraw/zinc/08/44/12/345084412.db2.gz RUSNYGRBDDKYFP-LBPRGKRZSA-N 1 2 299.403 2.493 20 30 CEEDLO COCC[N@@H+](CCC#N)CCOCC1CCCC1 ZINC000590952991 345204160 /nfs/dbraw/zinc/20/41/60/345204160.db2.gz QXMZQQPQIRBZMB-UHFFFAOYSA-N 1 2 254.374 2.055 20 30 CEEDLO COCC[N@H+](CCC#N)CCOCC1CCCC1 ZINC000590952991 345204163 /nfs/dbraw/zinc/20/41/63/345204163.db2.gz QXMZQQPQIRBZMB-UHFFFAOYSA-N 1 2 254.374 2.055 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C=C)C(=O)OC ZINC000591012091 345211476 /nfs/dbraw/zinc/21/14/76/345211476.db2.gz JKQDMJXUZHZVBV-OAHLLOKOSA-N 1 2 259.349 2.445 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C=C)C(=O)OC ZINC000591012091 345211482 /nfs/dbraw/zinc/21/14/82/345211482.db2.gz JKQDMJXUZHZVBV-OAHLLOKOSA-N 1 2 259.349 2.445 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592118430 345324328 /nfs/dbraw/zinc/32/43/28/345324328.db2.gz RTHXBTDBRBGXFU-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592118430 345324329 /nfs/dbraw/zinc/32/43/29/345324329.db2.gz RTHXBTDBRBGXFU-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccncc1C#N ZINC000592058204 345316930 /nfs/dbraw/zinc/31/69/30/345316930.db2.gz VROQPGZRFOHCML-UHFFFAOYSA-N 1 2 281.315 2.314 20 30 CEEDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccncc1C#N ZINC000592058204 345316934 /nfs/dbraw/zinc/31/69/34/345316934.db2.gz VROQPGZRFOHCML-UHFFFAOYSA-N 1 2 281.315 2.314 20 30 CEEDLO N#Cc1cnccc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000592071330 345318273 /nfs/dbraw/zinc/31/82/73/345318273.db2.gz GKWDVCUIJLXDFD-GOSISDBHSA-N 1 2 293.370 2.435 20 30 CEEDLO N#Cc1cnccc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000592071330 345318276 /nfs/dbraw/zinc/31/82/76/345318276.db2.gz GKWDVCUIJLXDFD-GOSISDBHSA-N 1 2 293.370 2.435 20 30 CEEDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccncc1C#N ZINC000592100757 345322073 /nfs/dbraw/zinc/32/20/73/345322073.db2.gz OAHJAZIORGYVKP-MRXNPFEDSA-N 1 2 267.332 2.085 20 30 CEEDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccncc1C#N ZINC000592124475 345325712 /nfs/dbraw/zinc/32/57/12/345325712.db2.gz DNQQTSUHSDNYMI-UHFFFAOYSA-N 1 2 283.379 2.345 20 30 CEEDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccncc1C#N ZINC000592124475 345325713 /nfs/dbraw/zinc/32/57/13/345325713.db2.gz DNQQTSUHSDNYMI-UHFFFAOYSA-N 1 2 283.379 2.345 20 30 CEEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147510 345329326 /nfs/dbraw/zinc/32/93/26/345329326.db2.gz PIGYFHFNBNHDGW-IINYFYTJSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147510 345329330 /nfs/dbraw/zinc/32/93/30/345329330.db2.gz PIGYFHFNBNHDGW-IINYFYTJSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147509 345329530 /nfs/dbraw/zinc/32/95/30/345329530.db2.gz PIGYFHFNBNHDGW-HZMBPMFUSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147509 345329532 /nfs/dbraw/zinc/32/95/32/345329532.db2.gz PIGYFHFNBNHDGW-HZMBPMFUSA-N 1 2 266.291 2.376 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592159460 345332325 /nfs/dbraw/zinc/33/23/25/345332325.db2.gz OKGMGJTVNPFPHH-GFCCVEGCSA-N 1 2 297.395 2.158 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@@H](CC)CO1 ZINC000593058464 345430704 /nfs/dbraw/zinc/43/07/04/345430704.db2.gz MLOSCPCXEBFOGF-LSDHHAIUSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@@H](CC)CO1 ZINC000593058464 345430706 /nfs/dbraw/zinc/43/07/06/345430706.db2.gz MLOSCPCXEBFOGF-LSDHHAIUSA-N 1 2 259.353 2.343 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C2(CCC2)CO1 ZINC000593092474 345437358 /nfs/dbraw/zinc/43/73/58/345437358.db2.gz OQZGICYAMNASRR-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)C2(CCC2)CO1 ZINC000593092474 345437360 /nfs/dbraw/zinc/43/73/60/345437360.db2.gz OQZGICYAMNASRR-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO CCCCNC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120737 345443651 /nfs/dbraw/zinc/44/36/51/345443651.db2.gz QTCZEGAISPXMAM-UHFFFAOYSA-N 1 2 271.364 2.180 20 30 CEEDLO CCCCNC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120737 345443655 /nfs/dbraw/zinc/44/36/55/345443655.db2.gz QTCZEGAISPXMAM-UHFFFAOYSA-N 1 2 271.364 2.180 20 30 CEEDLO N#Cc1cccc2c1C[N@H+](CCO[C@@H]1CCCCO1)C2 ZINC000593125839 345444992 /nfs/dbraw/zinc/44/49/92/345444992.db2.gz HJJRICSVQOAYKK-MRXNPFEDSA-N 1 2 272.348 2.417 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+](CCO[C@@H]1CCCCO1)C2 ZINC000593125839 345444995 /nfs/dbraw/zinc/44/49/95/345444995.db2.gz HJJRICSVQOAYKK-MRXNPFEDSA-N 1 2 272.348 2.417 20 30 CEEDLO Cc1cc(N2CCC(C3(O)CC3)CC2)c(C#N)c[nH+]1 ZINC000593482829 345495543 /nfs/dbraw/zinc/49/55/43/345495543.db2.gz VDWQNIPRABCSFX-UHFFFAOYSA-N 1 2 257.337 2.003 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594234926 345601755 /nfs/dbraw/zinc/60/17/55/345601755.db2.gz QCPXGURXCGJUCF-KBPBESRZSA-N 1 2 296.374 2.138 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000594259619 345606275 /nfs/dbraw/zinc/60/62/75/345606275.db2.gz HJMDISFDVMHWAU-LBPRGKRZSA-N 1 2 256.309 2.065 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2SCC1(CC#N)CC1 ZINC000594883114 345693718 /nfs/dbraw/zinc/69/37/18/345693718.db2.gz GYVGAUCBHRCPRV-UHFFFAOYSA-N 1 2 259.338 2.149 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)nn1 ZINC000594944930 345712885 /nfs/dbraw/zinc/71/28/85/345712885.db2.gz TXBUVNMQEZRYSD-UHFFFAOYSA-N 1 2 297.362 2.024 20 30 CEEDLO C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)c2ncnn21 ZINC000594956541 345715596 /nfs/dbraw/zinc/71/55/96/345715596.db2.gz KAYSNDLYBZEQLQ-KWQFWETISA-N 1 2 259.338 2.007 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)nn1 ZINC000594958776 345716362 /nfs/dbraw/zinc/71/63/62/345716362.db2.gz PBMJPKKRFROAIG-UHFFFAOYSA-N 1 2 285.326 2.155 20 30 CEEDLO CC(C)n1cc(C[NH2+]CC2(C#N)CCCCC2)nn1 ZINC000594981557 345721530 /nfs/dbraw/zinc/72/15/30/345721530.db2.gz RGSFKFXETLSZBF-UHFFFAOYSA-N 1 2 261.373 2.423 20 30 CEEDLO N#C[C@H](N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000595452703 345785962 /nfs/dbraw/zinc/78/59/62/345785962.db2.gz BTKHZFPPUIKOGL-SQNIBIBYSA-N 1 2 299.418 2.484 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595461827 345788938 /nfs/dbraw/zinc/78/89/38/345788938.db2.gz OHANXGMANNTHEQ-UHFFFAOYSA-N 1 2 268.288 2.368 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595461827 345788941 /nfs/dbraw/zinc/78/89/41/345788941.db2.gz OHANXGMANNTHEQ-UHFFFAOYSA-N 1 2 268.288 2.368 20 30 CEEDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000595461922 345789237 /nfs/dbraw/zinc/78/92/37/345789237.db2.gz QTKJQOXATGPUJI-NWDGAFQWSA-N 1 2 297.362 2.413 20 30 CEEDLO CC(C)n1cnnc1C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595512299 345800658 /nfs/dbraw/zinc/80/06/58/345800658.db2.gz SDQFGEYFOGYRPN-UHFFFAOYSA-N 1 2 283.379 2.405 20 30 CEEDLO CC(C)n1cnnc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595512299 345800661 /nfs/dbraw/zinc/80/06/61/345800661.db2.gz SDQFGEYFOGYRPN-UHFFFAOYSA-N 1 2 283.379 2.405 20 30 CEEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccncc1C#N ZINC000595680548 345847590 /nfs/dbraw/zinc/84/75/90/345847590.db2.gz IOSJUNHMZWBEEZ-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccncc1C#N ZINC000595680548 345847592 /nfs/dbraw/zinc/84/75/92/345847592.db2.gz IOSJUNHMZWBEEZ-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1[nH+]ccn1C ZINC000595606119 345824762 /nfs/dbraw/zinc/82/47/62/345824762.db2.gz GSKDPVCAVSBSAC-PNESKVBLSA-N 1 2 289.383 2.110 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615722 345828011 /nfs/dbraw/zinc/82/80/11/345828011.db2.gz NGIBIUHYSMPELA-QWRGUYRKSA-N 1 2 278.381 2.096 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615722 345828015 /nfs/dbraw/zinc/82/80/15/345828015.db2.gz NGIBIUHYSMPELA-QWRGUYRKSA-N 1 2 278.381 2.096 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CC#N)C2)c2[nH+]ccn21 ZINC000595641811 345835492 /nfs/dbraw/zinc/83/54/92/345835492.db2.gz DIIYLXDVSPXCHG-UPJWGTAASA-N 1 2 287.367 2.224 20 30 CEEDLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836385 345892458 /nfs/dbraw/zinc/89/24/58/345892458.db2.gz YXCDOSDBZLIPTP-BBRMVZONSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836385 345892461 /nfs/dbraw/zinc/89/24/61/345892461.db2.gz YXCDOSDBZLIPTP-BBRMVZONSA-N 1 2 277.412 2.307 20 30 CEEDLO CC[N@H+](CCC(=O)N1CCc2ccccc2C1)[C@@H](C)C#N ZINC000595821708 345886143 /nfs/dbraw/zinc/88/61/43/345886143.db2.gz ZJYCOJQNEFFPPH-AWEZNQCLSA-N 1 2 285.391 2.195 20 30 CEEDLO CC[N@@H+](CCC(=O)N1CCc2ccccc2C1)[C@@H](C)C#N ZINC000595821708 345886145 /nfs/dbraw/zinc/88/61/45/345886145.db2.gz ZJYCOJQNEFFPPH-AWEZNQCLSA-N 1 2 285.391 2.195 20 30 CEEDLO C=C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C(=O)OC ZINC000596051986 345928135 /nfs/dbraw/zinc/92/81/35/345928135.db2.gz WITBQUVLLWGSFF-QMMMGPOBSA-N 1 2 253.264 2.282 20 30 CEEDLO Cc1nnc(C[N@H+](C)CCCC2(C#N)CCOCC2)s1 ZINC000595886845 345906009 /nfs/dbraw/zinc/90/60/09/345906009.db2.gz ZSSGTCZSMOLHTK-UHFFFAOYSA-N 1 2 294.424 2.379 20 30 CEEDLO Cc1nnc(C[N@@H+](C)CCCC2(C#N)CCOCC2)s1 ZINC000595886845 345906011 /nfs/dbraw/zinc/90/60/11/345906011.db2.gz ZSSGTCZSMOLHTK-UHFFFAOYSA-N 1 2 294.424 2.379 20 30 CEEDLO CN(C)c1[nH+]cccc1CNc1nc(C#N)c(Cl)s1 ZINC000596075196 345933889 /nfs/dbraw/zinc/93/38/89/345933889.db2.gz YTYUXHFDWWFJRN-UHFFFAOYSA-N 1 2 293.783 2.163 20 30 CEEDLO C[C@@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)c2[nH+]ccn21 ZINC000596256582 345982424 /nfs/dbraw/zinc/98/24/24/345982424.db2.gz CSAZXVQYFIEQQW-RQJHMYQMSA-N 1 2 279.756 2.404 20 30 CEEDLO N#Cc1ccc(CCNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000596321149 345999277 /nfs/dbraw/zinc/99/92/77/345999277.db2.gz UWGVBBBXIDXOPB-UHFFFAOYSA-N 1 2 293.374 2.247 20 30 CEEDLO N#Cc1ccc(CCNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000596321149 345999280 /nfs/dbraw/zinc/99/92/80/345999280.db2.gz UWGVBBBXIDXOPB-UHFFFAOYSA-N 1 2 293.374 2.247 20 30 CEEDLO Cc1cc(N2CCN(c3ccsc3C#N)CC2)nc[nH+]1 ZINC000596353688 346006295 /nfs/dbraw/zinc/00/62/95/346006295.db2.gz ZDAOFVXEIIXEEV-UHFFFAOYSA-N 1 2 285.376 2.045 20 30 CEEDLO C[C@H](CC#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000596812454 346092459 /nfs/dbraw/zinc/09/24/59/346092459.db2.gz QGGPIOUKWOONPA-CYBMUJFWSA-N 1 2 286.379 2.238 20 30 CEEDLO C[C@H](CC#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000596908698 346104398 /nfs/dbraw/zinc/10/43/98/346104398.db2.gz PPJIYBZTQBNKIP-CYBMUJFWSA-N 1 2 287.363 2.007 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597160306 346138841 /nfs/dbraw/zinc/13/88/41/346138841.db2.gz DHIPFYIOMRFMST-LBPRGKRZSA-N 1 2 288.395 2.303 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597160306 346138842 /nfs/dbraw/zinc/13/88/42/346138842.db2.gz DHIPFYIOMRFMST-LBPRGKRZSA-N 1 2 288.395 2.303 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC(C)(C)C ZINC000597160452 346139105 /nfs/dbraw/zinc/13/91/05/346139105.db2.gz FWBYNDWFPFSEPC-CHWSQXEVSA-N 1 2 288.395 2.312 20 30 CEEDLO CCOc1ccc(C[NH+]2CC(CC#N)C2)cc1OC ZINC000597194811 346146331 /nfs/dbraw/zinc/14/63/31/346146331.db2.gz YQNCVUNWOKXDKC-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232708 346156760 /nfs/dbraw/zinc/15/67/60/346156760.db2.gz VYUSWOSSLFERBS-HNNXBMFYSA-N 1 2 260.385 2.280 20 30 CEEDLO CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232708 346156762 /nfs/dbraw/zinc/15/67/62/346156762.db2.gz VYUSWOSSLFERBS-HNNXBMFYSA-N 1 2 260.385 2.280 20 30 CEEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599358069 346506188 /nfs/dbraw/zinc/50/61/88/346506188.db2.gz CHTZXFIDIFJSTB-AWEZNQCLSA-N 1 2 260.337 2.154 20 30 CEEDLO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C)c(C#N)c1 ZINC000599465238 346524142 /nfs/dbraw/zinc/52/41/42/346524142.db2.gz DAJMSSSUWDEFOE-UHFFFAOYSA-N 1 2 270.332 2.004 20 30 CEEDLO COC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C)c(C#N)c1 ZINC000599465238 346524145 /nfs/dbraw/zinc/52/41/45/346524145.db2.gz DAJMSSSUWDEFOE-UHFFFAOYSA-N 1 2 270.332 2.004 20 30 CEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCSCC#N ZINC000599660624 346557773 /nfs/dbraw/zinc/55/77/73/346557773.db2.gz PEBGOJBTVVMILQ-UHFFFAOYSA-N 1 2 272.414 2.343 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc[nH]n1)C2 ZINC000599676928 346562140 /nfs/dbraw/zinc/56/21/40/346562140.db2.gz CSSITEGYYARDSE-UHFFFAOYSA-N 1 2 252.321 2.034 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc[nH]n1)C2 ZINC000599676928 346562143 /nfs/dbraw/zinc/56/21/43/346562143.db2.gz CSSITEGYYARDSE-UHFFFAOYSA-N 1 2 252.321 2.034 20 30 CEEDLO C[C@H](CCC#N)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000602612269 347101709 /nfs/dbraw/zinc/10/17/09/347101709.db2.gz HEKOUMKKLONQTL-TZMCWYRMSA-N 1 2 269.352 2.424 20 30 CEEDLO N#CCCCC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315629 346634100 /nfs/dbraw/zinc/63/41/00/346634100.db2.gz SFCKTGBWQWRPCI-AWEZNQCLSA-N 1 2 286.310 2.448 20 30 CEEDLO COc1ccc(-c2ccc(N[C@@H](C)CO)[nH+]c2)c(C#N)c1 ZINC000600792000 346691598 /nfs/dbraw/zinc/69/15/98/346691598.db2.gz UNFVTPJIMVYVCT-NSHDSACASA-N 1 2 283.331 2.422 20 30 CEEDLO CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1(C#N)CCC1 ZINC000601013954 346731541 /nfs/dbraw/zinc/73/15/41/346731541.db2.gz PITZCTMWOMDCCP-UHFFFAOYSA-N 1 2 294.358 2.319 20 30 CEEDLO N#CC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC2(CC2)C1 ZINC000601034704 346736090 /nfs/dbraw/zinc/73/60/90/346736090.db2.gz HWGLEZPZSVESRS-LBPRGKRZSA-N 1 2 284.363 2.200 20 30 CEEDLO C[C@H](CC#N)N(C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601038694 346737310 /nfs/dbraw/zinc/73/73/10/346737310.db2.gz UFYXQXYJUGDOOC-LLVKDONJSA-N 1 2 268.320 2.451 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H](CC)[C@H]1CC1(C)C)C(=O)OC ZINC000602641823 347119300 /nfs/dbraw/zinc/11/93/00/347119300.db2.gz FKGYPNAUAORQNQ-UPJWGTAASA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C(=O)OCC ZINC000602679552 347141011 /nfs/dbraw/zinc/14/10/11/347141011.db2.gz GXMNHYFRFVHKNM-WOPDTQHZSA-N 1 2 257.399 2.368 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OCC ZINC000602683981 347143588 /nfs/dbraw/zinc/14/35/88/347143588.db2.gz ZDQGOQBAEYSFHQ-RWMBFGLXSA-N 1 2 255.358 2.041 20 30 CEEDLO CC1(O)C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000602688620 347148260 /nfs/dbraw/zinc/14/82/60/347148260.db2.gz MHFLGTIZTMPSEO-UHFFFAOYSA-N 1 2 296.374 2.030 20 30 CEEDLO CC1(C#N)C[NH+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602688982 347148323 /nfs/dbraw/zinc/14/83/23/347148323.db2.gz CLXMCDCJKICZBP-CQSZACIVSA-N 1 2 255.365 2.358 20 30 CEEDLO COCCc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000602718694 347168369 /nfs/dbraw/zinc/16/83/69/347168369.db2.gz PZYAXNZVECEJEP-ZDUSSCGKSA-N 1 2 265.382 2.068 20 30 CEEDLO COCCc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000602718694 347168374 /nfs/dbraw/zinc/16/83/74/347168374.db2.gz PZYAXNZVECEJEP-ZDUSSCGKSA-N 1 2 265.382 2.068 20 30 CEEDLO CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@H](C)C#N ZINC000064249166 362782770 /nfs/dbraw/zinc/78/27/70/362782770.db2.gz CAYVCWPWVMCLNO-CYBMUJFWSA-N 1 2 277.412 2.402 20 30 CEEDLO CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@H](C)C#N ZINC000064249166 362782772 /nfs/dbraw/zinc/78/27/72/362782772.db2.gz CAYVCWPWVMCLNO-CYBMUJFWSA-N 1 2 277.412 2.402 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000602732340 347175942 /nfs/dbraw/zinc/17/59/42/347175942.db2.gz AWBDODTWYUUJDC-CQSZACIVSA-N 1 2 292.335 2.235 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1cccc(OC)n1)C(=O)OC ZINC000602735312 347178357 /nfs/dbraw/zinc/17/83/57/347178357.db2.gz URWJHFKGYFJQPT-OCCSQVGLSA-N 1 2 292.379 2.119 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]Cc1ccc(COC)cc1)C(=O)OC ZINC000602734519 347178418 /nfs/dbraw/zinc/17/84/18/347178418.db2.gz PAPAAEJGTWLHTN-OAHLLOKOSA-N 1 2 277.364 2.430 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C[C@H](Cc1ccccc1)OC)C(=O)OC ZINC000602735437 347178547 /nfs/dbraw/zinc/17/85/47/347178547.db2.gz XBBSEOSYEIDMBQ-JKSUJKDBSA-N 1 2 291.391 2.342 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000602938293 347252371 /nfs/dbraw/zinc/25/23/71/347252371.db2.gz OKMVDWFCKVBKEX-UHFFFAOYSA-N 1 2 258.300 2.361 20 30 CEEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000602938293 347252373 /nfs/dbraw/zinc/25/23/73/347252373.db2.gz OKMVDWFCKVBKEX-UHFFFAOYSA-N 1 2 258.300 2.361 20 30 CEEDLO Cc1nc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)sc1C ZINC000602847369 347223696 /nfs/dbraw/zinc/22/36/96/347223696.db2.gz AVMPGBCOHMCMCN-QWRGUYRKSA-N 1 2 278.425 2.178 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602861619 347229027 /nfs/dbraw/zinc/22/90/27/347229027.db2.gz GQZNLSVQQOPNKK-YNEHKIRRSA-N 1 2 251.374 2.058 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H](C)N1CC#N ZINC000602861826 347229120 /nfs/dbraw/zinc/22/91/20/347229120.db2.gz MAQQEVQNRYDDHI-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H](C)N1CC#N ZINC000602861826 347229122 /nfs/dbraw/zinc/22/91/22/347229122.db2.gz MAQQEVQNRYDDHI-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000602868998 347232093 /nfs/dbraw/zinc/23/20/93/347232093.db2.gz LOXYJIBUBPJGAY-VIFPVBQESA-N 1 2 251.717 2.170 20 30 CEEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[C@@H](OC)C1 ZINC000602871870 347232946 /nfs/dbraw/zinc/23/29/46/347232946.db2.gz SPHHJRGGRAZALE-MGPQQGTHSA-N 1 2 294.395 2.017 20 30 CEEDLO N#CCC1(C[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC000602882262 347237150 /nfs/dbraw/zinc/23/71/50/347237150.db2.gz BIBFRMZMYONNPA-UHFFFAOYSA-N 1 2 286.404 2.436 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602906978 347243849 /nfs/dbraw/zinc/24/38/49/347243849.db2.gz JOPHFRULWGYNAL-UHFFFAOYSA-N 1 2 283.335 2.024 20 30 CEEDLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(C#N)cn2)c1C ZINC000602927707 347249334 /nfs/dbraw/zinc/24/93/34/347249334.db2.gz YDTUYONKVQPLCQ-UHFFFAOYSA-N 1 2 283.379 2.419 20 30 CEEDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cn2)c1C ZINC000602927707 347249336 /nfs/dbraw/zinc/24/93/36/347249336.db2.gz YDTUYONKVQPLCQ-UHFFFAOYSA-N 1 2 283.379 2.419 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000602973715 347259937 /nfs/dbraw/zinc/25/99/37/347259937.db2.gz DKZHBPFHRNZVDQ-LJISPDSOSA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000602973715 347259941 /nfs/dbraw/zinc/25/99/41/347259941.db2.gz DKZHBPFHRNZVDQ-LJISPDSOSA-N 1 2 277.412 2.115 20 30 CEEDLO Cc1ccccc1CNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974295 347260300 /nfs/dbraw/zinc/26/03/00/347260300.db2.gz MDJLXOKVNVPILD-HOCLYGCPSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974295 347260305 /nfs/dbraw/zinc/26/03/05/347260305.db2.gz MDJLXOKVNVPILD-HOCLYGCPSA-N 1 2 285.391 2.235 20 30 CEEDLO CCCN(CCC)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975207 347261246 /nfs/dbraw/zinc/26/12/46/347261246.db2.gz ZLICQQCBHOWJEK-KBPBESRZSA-N 1 2 265.401 2.259 20 30 CEEDLO CCCN(CCC)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975207 347261250 /nfs/dbraw/zinc/26/12/50/347261250.db2.gz ZLICQQCBHOWJEK-KBPBESRZSA-N 1 2 265.401 2.259 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)nc12 ZINC000602978466 347263035 /nfs/dbraw/zinc/26/30/35/347263035.db2.gz QYVOESVYCBBJOT-HIFRSBDPSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)nc12 ZINC000602978466 347263036 /nfs/dbraw/zinc/26/30/36/347263036.db2.gz QYVOESVYCBBJOT-HIFRSBDPSA-N 1 2 296.374 2.127 20 30 CEEDLO CC1CC(n2nnc3c2C[N@H+](CC2(CC#N)CC2)CC3)C1 ZINC000602986768 347267405 /nfs/dbraw/zinc/26/74/05/347267405.db2.gz OGZOQGUYUBLKKN-UHFFFAOYSA-N 1 2 285.395 2.301 20 30 CEEDLO CC1CC(n2nnc3c2C[N@@H+](CC2(CC#N)CC2)CC3)C1 ZINC000602986768 347267412 /nfs/dbraw/zinc/26/74/12/347267412.db2.gz OGZOQGUYUBLKKN-UHFFFAOYSA-N 1 2 285.395 2.301 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000603070654 347280785 /nfs/dbraw/zinc/28/07/85/347280785.db2.gz QGNKJKRZJOGDOA-LLVKDONJSA-N 1 2 299.309 2.099 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000603070654 347280786 /nfs/dbraw/zinc/28/07/86/347280786.db2.gz QGNKJKRZJOGDOA-LLVKDONJSA-N 1 2 299.309 2.099 20 30 CEEDLO CC[N@@H+](Cc1cc(C(=O)OC)oc1C)C[C@@H](C)C#N ZINC000604512187 347418818 /nfs/dbraw/zinc/41/88/18/347418818.db2.gz IHBRILICSUZTSP-JTQLQIEISA-N 1 2 264.325 2.356 20 30 CEEDLO CC[N@H+](Cc1cc(C(=O)OC)oc1C)C[C@@H](C)C#N ZINC000604512187 347418820 /nfs/dbraw/zinc/41/88/20/347418820.db2.gz IHBRILICSUZTSP-JTQLQIEISA-N 1 2 264.325 2.356 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609131752 347627002 /nfs/dbraw/zinc/62/70/02/347627002.db2.gz WXQUMBFFJAZGCW-OAHLLOKOSA-N 1 2 280.331 2.232 20 30 CEEDLO COC(=O)c1cc(C[N@H+](CCC#N)C(C)C)c(C)o1 ZINC000610161299 347662671 /nfs/dbraw/zinc/66/26/71/347662671.db2.gz FIRBHBGKQIMYAR-UHFFFAOYSA-N 1 2 264.325 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](CCC#N)C(C)C)c(C)o1 ZINC000610161299 347662673 /nfs/dbraw/zinc/66/26/73/347662673.db2.gz FIRBHBGKQIMYAR-UHFFFAOYSA-N 1 2 264.325 2.499 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)CSCC#N)ccc2n1C ZINC000610310344 347672264 /nfs/dbraw/zinc/67/22/64/347672264.db2.gz TWHSOYHREQLASQ-UHFFFAOYSA-N 1 2 274.349 2.077 20 30 CEEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1cccc(C#N)c1 ZINC000610340351 347673288 /nfs/dbraw/zinc/67/32/88/347673288.db2.gz MLLBPCVCMDVFDH-SNVBAGLBSA-N 1 2 278.319 2.408 20 30 CEEDLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610335258 347673307 /nfs/dbraw/zinc/67/33/07/347673307.db2.gz HMTNBXVLUHNTAJ-CYBMUJFWSA-N 1 2 297.362 2.205 20 30 CEEDLO Cc1ccncc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611431813 347779431 /nfs/dbraw/zinc/77/94/31/347779431.db2.gz BSEKURAWCXOGST-INIZCTEOSA-N 1 2 272.396 2.056 20 30 CEEDLO N#CCCN1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000611174174 347747199 /nfs/dbraw/zinc/74/71/99/347747199.db2.gz AKMKYXKARIXXLP-UHFFFAOYSA-N 1 2 296.374 2.373 20 30 CEEDLO COCCN(CCC#N)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000611268733 347760878 /nfs/dbraw/zinc/76/08/78/347760878.db2.gz KPDRGVHLBMFCID-UHFFFAOYSA-N 1 2 292.770 2.350 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)CCOc1ccccc1C#N ZINC000611271214 347761031 /nfs/dbraw/zinc/76/10/31/347761031.db2.gz DMFVUNRLGFSINA-UHFFFAOYSA-N 1 2 270.336 2.101 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000611271214 347761032 /nfs/dbraw/zinc/76/10/32/347761032.db2.gz DMFVUNRLGFSINA-UHFFFAOYSA-N 1 2 270.336 2.101 20 30 CEEDLO N#Cc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccn1 ZINC000611681935 347804229 /nfs/dbraw/zinc/80/42/29/347804229.db2.gz ZOPCJWYZBIHLKX-AWEZNQCLSA-N 1 2 289.285 2.055 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161998 347851221 /nfs/dbraw/zinc/85/12/21/347851221.db2.gz IUQDSYIQGXUXBF-DZGCQCFKSA-N 1 2 265.401 2.307 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161998 347851223 /nfs/dbraw/zinc/85/12/23/347851223.db2.gz IUQDSYIQGXUXBF-DZGCQCFKSA-N 1 2 265.401 2.307 20 30 CEEDLO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162003 347851246 /nfs/dbraw/zinc/85/12/46/347851246.db2.gz IUQDSYIQGXUXBF-UKRRQHHQSA-N 1 2 265.401 2.307 20 30 CEEDLO CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162003 347851248 /nfs/dbraw/zinc/85/12/48/347851248.db2.gz IUQDSYIQGXUXBF-UKRRQHHQSA-N 1 2 265.401 2.307 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000612161239 347851323 /nfs/dbraw/zinc/85/13/23/347851323.db2.gz PWBCDUZZHBBQOA-HOCLYGCPSA-N 1 2 274.364 2.052 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC000612161239 347851325 /nfs/dbraw/zinc/85/13/25/347851325.db2.gz PWBCDUZZHBBQOA-HOCLYGCPSA-N 1 2 274.364 2.052 20 30 CEEDLO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165215 347852949 /nfs/dbraw/zinc/85/29/49/347852949.db2.gz JTYHOOKBDUDTRZ-AWEZNQCLSA-N 1 2 252.358 2.344 20 30 CEEDLO CC(C)(C)OC(=O)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165215 347852952 /nfs/dbraw/zinc/85/29/52/347852952.db2.gz JTYHOOKBDUDTRZ-AWEZNQCLSA-N 1 2 252.358 2.344 20 30 CEEDLO Cc1nn2c(C[NH2+]CC(C)(C)C#N)c(C)nc2s1 ZINC000612588245 347905122 /nfs/dbraw/zinc/90/51/22/347905122.db2.gz UJIKZVFAQRGGHP-UHFFFAOYSA-N 1 2 263.370 2.047 20 30 CEEDLO Cc1cccc2c1ncc(C#N)c2NCCn1cc[nH+]c1 ZINC000612654946 347913170 /nfs/dbraw/zinc/91/31/70/347913170.db2.gz WHGYJOIBYQIYTD-UHFFFAOYSA-N 1 2 277.331 2.145 20 30 CEEDLO C=CC[N@@H+](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066559555 362871961 /nfs/dbraw/zinc/87/19/61/362871961.db2.gz ADSMFANBPUZMKT-MRXNPFEDSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CC[N@H+](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066559555 362871964 /nfs/dbraw/zinc/87/19/64/362871964.db2.gz ADSMFANBPUZMKT-MRXNPFEDSA-N 1 2 293.432 2.479 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)NCC1CCCCC1 ZINC000066872439 362892307 /nfs/dbraw/zinc/89/23/07/362892307.db2.gz FTKAIAKFLSWHKO-UHFFFAOYSA-N 1 2 265.401 2.309 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)NCC1CCCCC1 ZINC000066872439 362892314 /nfs/dbraw/zinc/89/23/14/362892314.db2.gz FTKAIAKFLSWHKO-UHFFFAOYSA-N 1 2 265.401 2.309 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616864659 348581255 /nfs/dbraw/zinc/58/12/55/348581255.db2.gz IKILRDXYBYJSMZ-CHWSQXEVSA-N 1 2 293.411 2.198 20 30 CEEDLO C=CCOc1ccc(CC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000616928500 348589601 /nfs/dbraw/zinc/58/96/01/348589601.db2.gz BVCLKXLUJLBJNS-UHFFFAOYSA-N 1 2 285.347 2.176 20 30 CEEDLO C=CCOc1ccc(CC(=O)N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000616928500 348589603 /nfs/dbraw/zinc/58/96/03/348589603.db2.gz BVCLKXLUJLBJNS-UHFFFAOYSA-N 1 2 285.347 2.176 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616697634 348563205 /nfs/dbraw/zinc/56/32/05/348563205.db2.gz BNGGALLQJHUQQI-GFCCVEGCSA-N 1 2 261.369 2.377 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616697634 348563208 /nfs/dbraw/zinc/56/32/08/348563208.db2.gz BNGGALLQJHUQQI-GFCCVEGCSA-N 1 2 261.369 2.377 20 30 CEEDLO C=CCC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCOCC1 ZINC000618252577 348907934 /nfs/dbraw/zinc/90/79/34/348907934.db2.gz POGUWXZULROTBS-UHFFFAOYSA-N 1 2 299.374 2.498 20 30 CEEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc(C#N)c2)no1 ZINC000351998946 219283869 /nfs/dbraw/zinc/28/38/69/219283869.db2.gz ZQHBLAOPEKCSOQ-UHFFFAOYSA-N 1 2 299.330 2.358 20 30 CEEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1C ZINC000339560482 215243721 /nfs/dbraw/zinc/24/37/21/215243721.db2.gz BKZDUDUZENHTKY-FOGDFJRCSA-N 1 2 275.377 2.065 20 30 CEEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1C ZINC000339560482 215243722 /nfs/dbraw/zinc/24/37/22/215243722.db2.gz BKZDUDUZENHTKY-FOGDFJRCSA-N 1 2 275.377 2.065 20 30 CEEDLO C=CCOC[C@@H]([NH2+]CC(C)(C)c1ccccc1)C(=O)OC ZINC000619509499 349191412 /nfs/dbraw/zinc/19/14/12/349191412.db2.gz QRQNPTSNCJFGJV-OAHLLOKOSA-N 1 2 291.391 2.298 20 30 CEEDLO C=C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)C(=O)OC ZINC000619701638 349222413 /nfs/dbraw/zinc/22/24/13/349222413.db2.gz PMJOFRSHUQCGAG-CQSZACIVSA-N 1 2 272.348 2.418 20 30 CEEDLO C=C[C@@H]([NH2+]CC[C@H](OCC)C1CCCC1)C(=O)OC ZINC000619701961 349222530 /nfs/dbraw/zinc/22/25/30/349222530.db2.gz ATQGFQHZYYQGJS-KGLIPLIRSA-N 1 2 269.385 2.289 20 30 CEEDLO C=C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)C(=O)OC ZINC000619703858 349224612 /nfs/dbraw/zinc/22/46/12/349224612.db2.gz SSSAURKWECPKAW-CQSZACIVSA-N 1 2 259.349 2.327 20 30 CEEDLO C=C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)C(=O)OC ZINC000619703868 349224867 /nfs/dbraw/zinc/22/48/67/349224867.db2.gz SZABXFVMXWHOFB-CQSZACIVSA-N 1 2 277.339 2.466 20 30 CEEDLO Cc1noc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000619722921 349230048 /nfs/dbraw/zinc/23/00/48/349230048.db2.gz QAIXNAPHFJPDSJ-LBPRGKRZSA-N 1 2 297.362 2.391 20 30 CEEDLO C=CCCc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000351456534 539737912 /nfs/dbraw/zinc/73/79/12/539737912.db2.gz QHSPVWNDNANNFS-UHFFFAOYSA-N 1 2 258.325 2.312 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000623486617 350032054 /nfs/dbraw/zinc/03/20/54/350032054.db2.gz ADSIVRCLHGPAHO-CQSZACIVSA-N 1 2 276.384 2.271 20 30 CEEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)s1 ZINC000271219441 191009601 /nfs/dbraw/zinc/00/96/01/191009601.db2.gz YFRAXBJSXJYJPX-UHFFFAOYSA-N 1 2 288.376 2.238 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+](CC(=O)OC)C2CC2)cc1 ZINC000271255098 191030760 /nfs/dbraw/zinc/03/07/60/191030760.db2.gz JLOADIXTAGHDGG-UHFFFAOYSA-N 1 2 287.359 2.226 20 30 CEEDLO C#CCCOc1ccc(C[N@H+](CC(=O)OC)C2CC2)cc1 ZINC000271255098 191030763 /nfs/dbraw/zinc/03/07/63/191030763.db2.gz JLOADIXTAGHDGG-UHFFFAOYSA-N 1 2 287.359 2.226 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000130502881 365962813 /nfs/dbraw/zinc/96/28/13/365962813.db2.gz GTIRKXLDWNSWIH-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000130502881 365962821 /nfs/dbraw/zinc/96/28/21/365962821.db2.gz GTIRKXLDWNSWIH-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO FCC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000626004864 350625595 /nfs/dbraw/zinc/62/55/95/350625595.db2.gz PRYWLPIYLVUACP-HNNXBMFYSA-N 1 2 265.303 2.238 20 30 CEEDLO FCC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000626004864 350625596 /nfs/dbraw/zinc/62/55/96/350625596.db2.gz PRYWLPIYLVUACP-HNNXBMFYSA-N 1 2 265.303 2.238 20 30 CEEDLO CC(C)CNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109811752 186275007 /nfs/dbraw/zinc/27/50/07/186275007.db2.gz DZILTXNVCJINAF-UHFFFAOYSA-N 1 2 253.390 2.020 20 30 CEEDLO CC(C)CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109811752 186275008 /nfs/dbraw/zinc/27/50/08/186275008.db2.gz DZILTXNVCJINAF-UHFFFAOYSA-N 1 2 253.390 2.020 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000628142726 350976350 /nfs/dbraw/zinc/97/63/50/350976350.db2.gz NOHIJWCAKYVYET-KFWWJZLASA-N 1 2 285.391 2.464 20 30 CEEDLO C#CC[N@@H+](CN1C[C@H](C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000113240855 186563718 /nfs/dbraw/zinc/56/37/18/186563718.db2.gz RCEPWGBXNLTHRX-RHSMWYFYSA-N 1 2 282.387 2.435 20 30 CEEDLO C#CC[N@H+](CN1C[C@H](C)CC1=O)[C@@H]1CCc2ccccc21 ZINC000113240855 186563719 /nfs/dbraw/zinc/56/37/19/186563719.db2.gz RCEPWGBXNLTHRX-RHSMWYFYSA-N 1 2 282.387 2.435 20 30 CEEDLO CC(C)(C)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000337176510 366055589 /nfs/dbraw/zinc/05/55/89/366055589.db2.gz JJFYXDXTFKQHGO-UHFFFAOYSA-N 1 2 281.444 2.361 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2csc(C)n2)C1=O ZINC000337199489 366071399 /nfs/dbraw/zinc/07/13/99/366071399.db2.gz DPRPBTVTJQEJLR-UONOGXRCSA-N 1 2 291.420 2.375 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2csc(C)n2)C1=O ZINC000337199489 366071405 /nfs/dbraw/zinc/07/14/05/366071405.db2.gz DPRPBTVTJQEJLR-UONOGXRCSA-N 1 2 291.420 2.375 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(F)c2F)nn1 ZINC000631205579 352017051 /nfs/dbraw/zinc/01/70/51/352017051.db2.gz DKUPCJLKOVRQNS-UHFFFAOYSA-N 1 2 278.306 2.422 20 30 CEEDLO COCC[N@@H+](CCC#N)CCO[C@H]1CCCC[C@@H]1C ZINC000072690452 363157928 /nfs/dbraw/zinc/15/79/28/363157928.db2.gz GIKOXTVDOMAQQO-GJZGRUSLSA-N 1 2 268.401 2.444 20 30 CEEDLO COCC[N@H+](CCC#N)CCO[C@H]1CCCC[C@@H]1C ZINC000072690452 363157931 /nfs/dbraw/zinc/15/79/31/363157931.db2.gz GIKOXTVDOMAQQO-GJZGRUSLSA-N 1 2 268.401 2.444 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000131752930 366085588 /nfs/dbraw/zinc/08/55/88/366085588.db2.gz YGFKDCAAXKSPAG-AWEZNQCLSA-N 1 2 288.347 2.094 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000131752930 366085593 /nfs/dbraw/zinc/08/55/93/366085593.db2.gz YGFKDCAAXKSPAG-AWEZNQCLSA-N 1 2 288.347 2.094 20 30 CEEDLO N#Cc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000336444039 213306860 /nfs/dbraw/zinc/30/68/60/213306860.db2.gz BUYCLEWSZXOHSM-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO N#Cc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000336444039 213306864 /nfs/dbraw/zinc/30/68/64/213306864.db2.gz BUYCLEWSZXOHSM-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO CCCC[C@H](C(=O)OC)[NH+]1CCC(F)(C#N)CC1 ZINC000352489592 282927000 /nfs/dbraw/zinc/92/70/00/282927000.db2.gz BUMZYCSXNATELC-LLVKDONJSA-N 1 2 256.321 2.046 20 30 CEEDLO CCOC(=O)COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000132296820 366133787 /nfs/dbraw/zinc/13/37/87/366133787.db2.gz BOXDPLFNYFQUBB-ZDUSSCGKSA-N 1 2 290.363 2.362 20 30 CEEDLO CCOC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000132296820 366133790 /nfs/dbraw/zinc/13/37/90/366133790.db2.gz BOXDPLFNYFQUBB-ZDUSSCGKSA-N 1 2 290.363 2.362 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn21 ZINC000569903721 299224152 /nfs/dbraw/zinc/22/41/52/299224152.db2.gz YYORJGUGWSRBQA-WPRPVWTQSA-N 1 2 272.333 2.252 20 30 CEEDLO C#CC[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1ccccc1 ZINC000271858105 191371989 /nfs/dbraw/zinc/37/19/89/191371989.db2.gz YUMLLFQQTJCBFY-HNNXBMFYSA-N 1 2 296.374 2.326 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)cs2)c2[nH+]ccn21 ZINC000334752645 291077685 /nfs/dbraw/zinc/07/76/85/291077685.db2.gz QQFBIKDJZMFQJB-WCBMZHEXSA-N 1 2 272.333 2.252 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000684093343 540223533 /nfs/dbraw/zinc/22/35/33/540223533.db2.gz IRTSYERVHBHGJF-HNNXBMFYSA-N 1 2 291.439 2.448 20 30 CEEDLO N#Cc1ccc(N[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000367343237 283181239 /nfs/dbraw/zinc/18/12/39/283181239.db2.gz WKOAHLUYJZZCPG-HNNXBMFYSA-N 1 2 279.347 2.429 20 30 CEEDLO CCC(CC)([NH2+]CCOc1cccc(C#N)c1)C(=O)OC ZINC000338345171 366306327 /nfs/dbraw/zinc/30/63/27/366306327.db2.gz FKVUSFFQINATPS-UHFFFAOYSA-N 1 2 290.363 2.258 20 30 CEEDLO N#Cc1cnc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)nc1 ZINC000333486551 283230067 /nfs/dbraw/zinc/23/00/67/283230067.db2.gz GGKKFBKIWIICNW-CHWSQXEVSA-N 1 2 274.393 2.208 20 30 CEEDLO N#Cc1cnc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)nc1 ZINC000333486551 283230071 /nfs/dbraw/zinc/23/00/71/283230071.db2.gz GGKKFBKIWIICNW-CHWSQXEVSA-N 1 2 274.393 2.208 20 30 CEEDLO N#Cc1nc(N2CCn3c[nH+]cc3C2)ccc1C(F)(F)F ZINC000357549569 283251153 /nfs/dbraw/zinc/25/11/53/283251153.db2.gz QDKHLYLWXFFHJO-UHFFFAOYSA-N 1 2 293.252 2.189 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2cccc2)cc1 ZINC000578016557 366429793 /nfs/dbraw/zinc/42/97/93/366429793.db2.gz BMQHUFVXDHPCKF-QGZVFWFLSA-N 1 2 296.374 2.051 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135569651 366454781 /nfs/dbraw/zinc/45/47/81/366454781.db2.gz VUSDGNLJDXJUGD-GJZGRUSLSA-N 1 2 292.379 2.404 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135569651 366454785 /nfs/dbraw/zinc/45/47/85/366454785.db2.gz VUSDGNLJDXJUGD-GJZGRUSLSA-N 1 2 292.379 2.404 20 30 CEEDLO Cc1cc(N[C@H]2CCO[C@@]3(CCSC3)C2)c(C#N)c[nH+]1 ZINC000571040726 299291268 /nfs/dbraw/zinc/29/12/68/299291268.db2.gz DJHKINSHVJRIGX-ZFWWWQNUSA-N 1 2 289.404 2.150 20 30 CEEDLO Cc1ccc2[nH+]c(CNc3cc(C#N)cc(C)n3)cn2c1 ZINC000341582453 216021413 /nfs/dbraw/zinc/02/14/13/216021413.db2.gz CIEAQRUAVODARP-UHFFFAOYSA-N 1 2 277.331 2.252 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000139726263 366557199 /nfs/dbraw/zinc/55/71/99/366557199.db2.gz BKNQGXWONDZPPX-UHFFFAOYSA-N 1 2 299.374 2.142 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000139726263 366557207 /nfs/dbraw/zinc/55/72/07/366557207.db2.gz BKNQGXWONDZPPX-UHFFFAOYSA-N 1 2 299.374 2.142 20 30 CEEDLO CCOc1ccc(C#N)cc1NCc1c[nH+]cn1C ZINC000177366625 189046421 /nfs/dbraw/zinc/04/64/21/189046421.db2.gz IZWKPTYJAPEUDP-UHFFFAOYSA-N 1 2 256.309 2.303 20 30 CEEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000674934297 540799477 /nfs/dbraw/zinc/79/94/77/540799477.db2.gz WCMBKCVOXRRPKG-LBPRGKRZSA-N 1 2 279.409 2.150 20 30 CEEDLO N#Cc1nc(N2CCC[C@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000301594146 201084902 /nfs/dbraw/zinc/08/49/02/201084902.db2.gz YLSMEBZIMMNFAG-NSHDSACASA-N 1 2 287.754 2.472 20 30 CEEDLO N#Cc1cccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000301660582 201120959 /nfs/dbraw/zinc/12/09/59/201120959.db2.gz XFBOEMCXNOZFRF-CQSZACIVSA-N 1 2 266.304 2.006 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000340212866 366805079 /nfs/dbraw/zinc/80/50/79/366805079.db2.gz VCUNVAORIZVLOE-MRXNPFEDSA-N 1 2 297.333 2.356 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000340212866 366805084 /nfs/dbraw/zinc/80/50/84/366805084.db2.gz VCUNVAORIZVLOE-MRXNPFEDSA-N 1 2 297.333 2.356 20 30 CEEDLO C=CCCOCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000155208671 366809491 /nfs/dbraw/zinc/80/94/91/366809491.db2.gz WVMJUJMELRUMMY-UHFFFAOYSA-N 1 2 285.347 2.195 20 30 CEEDLO COCC[N@H+](Cc1nc(C#N)cs1)[C@H]1CCCSC1 ZINC000356400963 370695505 /nfs/dbraw/zinc/69/55/05/370695505.db2.gz GHGBVPYNMHVAKZ-LBPRGKRZSA-N 1 2 297.449 2.359 20 30 CEEDLO COCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCCSC1 ZINC000356400963 370695506 /nfs/dbraw/zinc/69/55/06/370695506.db2.gz GHGBVPYNMHVAKZ-LBPRGKRZSA-N 1 2 297.449 2.359 20 30 CEEDLO C=CCCC[C@@H](C)Nc1nc(N2CCOCC2)cc[nH+]1 ZINC000678833041 541181247 /nfs/dbraw/zinc/18/12/47/541181247.db2.gz UZFARONYAZNMNV-CYBMUJFWSA-N 1 2 276.384 2.470 20 30 CEEDLO C[C@H](C#N)CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000084908886 363826088 /nfs/dbraw/zinc/82/60/88/363826088.db2.gz IXMUKEULTQBBMG-LLVKDONJSA-N 1 2 283.335 2.368 20 30 CEEDLO COCCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000093091061 364141330 /nfs/dbraw/zinc/14/13/30/364141330.db2.gz JOBYMGLPJMCTRL-CYBMUJFWSA-N 1 2 262.353 2.446 20 30 CEEDLO COCCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000093091061 364141336 /nfs/dbraw/zinc/14/13/36/364141336.db2.gz JOBYMGLPJMCTRL-CYBMUJFWSA-N 1 2 262.353 2.446 20 30 CEEDLO N#CCC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000334638308 364115889 /nfs/dbraw/zinc/11/58/89/364115889.db2.gz VTTSXMUCRNACMP-UHFFFAOYSA-N 1 2 256.349 2.464 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)n1 ZINC000356416339 370701807 /nfs/dbraw/zinc/70/18/07/370701807.db2.gz FBDROHZQDFACDT-ZDUSSCGKSA-N 1 2 277.393 2.406 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@H](OCC3CC3)C2)n1 ZINC000356416339 370701808 /nfs/dbraw/zinc/70/18/08/370701808.db2.gz FBDROHZQDFACDT-ZDUSSCGKSA-N 1 2 277.393 2.406 20 30 CEEDLO CCOCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000093311426 364159754 /nfs/dbraw/zinc/15/97/54/364159754.db2.gz DQKWTGAKKQMVMQ-UHFFFAOYSA-N 1 2 286.335 2.077 20 30 CEEDLO CCOCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000093311426 364159755 /nfs/dbraw/zinc/15/97/55/364159755.db2.gz DQKWTGAKKQMVMQ-UHFFFAOYSA-N 1 2 286.335 2.077 20 30 CEEDLO C[C@@H]1CCSCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000335181663 364587522 /nfs/dbraw/zinc/58/75/22/364587522.db2.gz FDPBINZKKNPDEJ-SECBINFHSA-N 1 2 253.396 2.342 20 30 CEEDLO C[C@@H]1CCSCC[N@H+]1Cc1nc(C#N)cs1 ZINC000335181663 364587523 /nfs/dbraw/zinc/58/75/23/364587523.db2.gz FDPBINZKKNPDEJ-SECBINFHSA-N 1 2 253.396 2.342 20 30 CEEDLO N#CCN1CC[NH+](Cc2ccccc2Br)CC1 ZINC000103882447 364669676 /nfs/dbraw/zinc/66/96/76/364669676.db2.gz PSKGACNPAHUAAP-UHFFFAOYSA-N 1 2 294.196 2.090 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1(C#N)CCCC1 ZINC000335508285 364794792 /nfs/dbraw/zinc/79/47/92/364794792.db2.gz XXSJIYNBKZHDPP-UHFFFAOYSA-N 1 2 286.379 2.262 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000335733473 364903596 /nfs/dbraw/zinc/90/35/96/364903596.db2.gz INGXBNJECBKEMH-NHYWBVRUSA-N 1 2 298.346 2.380 20 30 CEEDLO C=C(C)[C@H](CO)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425306 541411579 /nfs/dbraw/zinc/41/15/79/541411579.db2.gz WMYZMIXMNWVEJV-MFKMUULPSA-N 1 2 291.326 2.463 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335765562 364949991 /nfs/dbraw/zinc/94/99/91/364949991.db2.gz HREOHIMMXDJPFK-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335765562 364949993 /nfs/dbraw/zinc/94/99/93/364949993.db2.gz HREOHIMMXDJPFK-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335588187 212299511 /nfs/dbraw/zinc/29/95/11/212299511.db2.gz HSDHJLYJVJONPA-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335588187 212299513 /nfs/dbraw/zinc/29/95/13/212299513.db2.gz HSDHJLYJVJONPA-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C[N@H+](Cc1cccc(F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531286 365011155 /nfs/dbraw/zinc/01/11/55/365011155.db2.gz BGSGCUVDVMJKIC-INIZCTEOSA-N 1 2 297.333 2.356 20 30 CEEDLO C[N@@H+](Cc1cccc(F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531286 365011157 /nfs/dbraw/zinc/01/11/57/365011157.db2.gz BGSGCUVDVMJKIC-INIZCTEOSA-N 1 2 297.333 2.356 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)CC)Cc1ccccc1 ZINC000118392724 365154890 /nfs/dbraw/zinc/15/48/90/365154890.db2.gz XDVDBALQLFGAOV-UHFFFAOYSA-N 1 2 267.394 2.109 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)CC)Cc1ccccc1 ZINC000118392724 365154893 /nfs/dbraw/zinc/15/48/93/365154893.db2.gz 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WGRRCJJWZBUTKY-KGLIPLIRSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1F ZINC000300240760 379157279 /nfs/dbraw/zinc/15/72/79/379157279.db2.gz WGRRCJJWZBUTKY-KGLIPLIRSA-N 1 2 260.312 2.451 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)c(F)c1 ZINC000515070013 379183764 /nfs/dbraw/zinc/18/37/64/379183764.db2.gz WGYZIKCLVYINNL-NSHDSACASA-N 1 2 263.316 2.355 20 30 CEEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000304691683 379592863 /nfs/dbraw/zinc/59/28/63/379592863.db2.gz HHBBYDHUJZAMCV-OAHLLOKOSA-N 1 2 276.380 2.279 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000304691683 379592870 /nfs/dbraw/zinc/59/28/70/379592870.db2.gz HHBBYDHUJZAMCV-OAHLLOKOSA-N 1 2 276.380 2.279 20 30 CEEDLO CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000267170861 190308332 /nfs/dbraw/zinc/30/83/32/190308332.db2.gz CZPAPSWNXFFGSP-UHFFFAOYSA-N 1 2 297.402 2.393 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528368580 379949137 /nfs/dbraw/zinc/94/91/37/379949137.db2.gz PEOOUPXNMJXMFM-GXTWGEPZSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528368580 379949141 /nfs/dbraw/zinc/94/91/41/379949141.db2.gz PEOOUPXNMJXMFM-GXTWGEPZSA-N 1 2 263.385 2.011 20 30 CEEDLO CC1CC(C#N)(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000532323726 380213318 /nfs/dbraw/zinc/21/33/18/380213318.db2.gz FIBBBRLNHUSEOR-UHFFFAOYSA-N 1 2 294.358 2.428 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(CC#N)CC1 ZINC000542878366 380321262 /nfs/dbraw/zinc/32/12/62/380321262.db2.gz GXMDPSKVYJFJDX-SNVBAGLBSA-N 1 2 278.381 2.096 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000491692886 380344340 /nfs/dbraw/zinc/34/43/40/380344340.db2.gz BWZJCIVLWFBEKJ-LBPRGKRZSA-N 1 2 291.782 2.493 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000491692886 380344345 /nfs/dbraw/zinc/34/43/45/380344345.db2.gz BWZJCIVLWFBEKJ-LBPRGKRZSA-N 1 2 291.782 2.493 20 30 CEEDLO C#CCCN(CC(F)(F)F)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492571127 380609247 /nfs/dbraw/zinc/60/92/47/380609247.db2.gz YMNKTPXTBPPAJJ-VOTSOKGWSA-N 1 2 299.296 2.330 20 30 CEEDLO C#CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492815718 380698865 /nfs/dbraw/zinc/69/88/65/380698865.db2.gz XQOIYKPGXQOTBA-FJVVXJACSA-N 1 2 265.316 2.304 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000492235622 269687511 /nfs/dbraw/zinc/68/75/11/269687511.db2.gz ZYICJDURDBKJPF-FPLPWBNLSA-N 1 2 294.358 2.317 20 30 CEEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Cl)s1 ZINC000555482957 380828221 /nfs/dbraw/zinc/82/82/21/380828221.db2.gz PBDUSQWYMNFHMK-RNCFNFMXSA-N 1 2 299.827 2.465 20 30 CEEDLO C[C@@H]1C[N@H+](CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493982462 381151399 /nfs/dbraw/zinc/15/13/99/381151399.db2.gz SATMKXWJEMFVGI-NEPJUHHUSA-N 1 2 267.373 2.135 20 30 CEEDLO C[C@@H]1C[N@@H+](CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493982462 381151403 /nfs/dbraw/zinc/15/14/03/381151403.db2.gz SATMKXWJEMFVGI-NEPJUHHUSA-N 1 2 267.373 2.135 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN3CC(F)(F)C(F)(F)C3)n2c1 ZINC000334795850 207091219 /nfs/dbraw/zinc/09/12/19/207091219.db2.gz KBMCBMFWMWLDJH-UHFFFAOYSA-N 1 2 298.243 2.292 20 30 CEEDLO C[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)C#N ZINC000496402257 381212538 /nfs/dbraw/zinc/21/25/38/381212538.db2.gz WOBMWGBHVPWLAV-AWEZNQCLSA-N 1 2 287.363 2.493 20 30 CEEDLO C[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)C#N ZINC000496402257 381212547 /nfs/dbraw/zinc/21/25/47/381212547.db2.gz WOBMWGBHVPWLAV-AWEZNQCLSA-N 1 2 287.363 2.493 20 30 CEEDLO CC(C)NC(=O)OC1C[NH+](CC(C)(C)CCC#N)C1 ZINC000496770825 381227977 /nfs/dbraw/zinc/22/79/77/381227977.db2.gz IUDFTWKTQGRNMX-UHFFFAOYSA-N 1 2 267.373 2.135 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNc1nc(C)cc(C#N)n1 ZINC000280958956 195046155 /nfs/dbraw/zinc/04/61/55/195046155.db2.gz KTENMYQLHBBZBW-UHFFFAOYSA-N 1 2 292.346 2.427 20 30 CEEDLO C#CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000264057447 533133873 /nfs/dbraw/zinc/13/38/73/533133873.db2.gz JOSBPRFPLWLXGA-UHFFFAOYSA-N 1 2 286.144 2.016 20 30 CEEDLO C#CC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000264057447 533133864 /nfs/dbraw/zinc/13/38/64/533133864.db2.gz JOSBPRFPLWLXGA-UHFFFAOYSA-N 1 2 286.144 2.016 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1C(F)F ZINC000329235821 227370614 /nfs/dbraw/zinc/37/06/14/227370614.db2.gz NURSQEWNAZBQPQ-WDEREUQCSA-N 1 2 298.337 2.404 20 30 CEEDLO O=C(NC[C@@H]1CCCOC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329233423 227371553 /nfs/dbraw/zinc/37/15/53/227371553.db2.gz GVXGQAKANNYVEQ-DZGCQCFKSA-N 1 2 296.411 2.013 20 30 CEEDLO O=C(NC[C@@H]1CCCOC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329233423 227371559 /nfs/dbraw/zinc/37/15/59/227371559.db2.gz GVXGQAKANNYVEQ-DZGCQCFKSA-N 1 2 296.411 2.013 20 30 CEEDLO C[N@H+](CC(=O)NCC#N)Cc1cccc(Cl)c1Cl ZINC000171278423 335061945 /nfs/dbraw/zinc/06/19/45/335061945.db2.gz QIALZSNSPDZQEP-UHFFFAOYSA-N 1 2 286.162 2.065 20 30 CEEDLO C[N@@H+](CC(=O)NCC#N)Cc1cccc(Cl)c1Cl ZINC000171278423 335061946 /nfs/dbraw/zinc/06/19/46/335061946.db2.gz QIALZSNSPDZQEP-UHFFFAOYSA-N 1 2 286.162 2.065 20 30 CEEDLO C[C@@H](CC#N)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000171480319 335066801 /nfs/dbraw/zinc/06/68/01/335066801.db2.gz NSRWAVANUDKRRX-LVDDQXARSA-N 1 2 280.331 2.304 20 30 CEEDLO C=CCOc1ccc(C[NH2+]Cc2ncnn2CC)cc1 ZINC000355598756 394472426 /nfs/dbraw/zinc/47/24/26/394472426.db2.gz BENSYJTUARSKRL-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO C[C@@H](CNc1ncc(C#N)cc1F)Cn1cc[nH+]c1 ZINC000413087169 394480837 /nfs/dbraw/zinc/48/08/37/394480837.db2.gz YVOCHSQJQTWUPX-JTQLQIEISA-N 1 2 259.288 2.037 20 30 CEEDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000413195969 394502267 /nfs/dbraw/zinc/50/22/67/394502267.db2.gz NXKIQCDGQDIEHD-UHFFFAOYSA-N 1 2 299.334 2.498 20 30 CEEDLO COc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329433244 394563152 /nfs/dbraw/zinc/56/31/52/394563152.db2.gz IECJMNQQHYDBIN-UHFFFAOYSA-N 1 2 290.363 2.396 20 30 CEEDLO COc1ccccc1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329433244 394563154 /nfs/dbraw/zinc/56/31/54/394563154.db2.gz IECJMNQQHYDBIN-UHFFFAOYSA-N 1 2 290.363 2.396 20 30 CEEDLO CCC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccn1 ZINC000329422139 394563418 /nfs/dbraw/zinc/56/34/18/394563418.db2.gz HJXVXYULXRGXSG-KBPBESRZSA-N 1 2 291.395 2.252 20 30 CEEDLO CCC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccn1 ZINC000329422139 394563419 /nfs/dbraw/zinc/56/34/19/394563419.db2.gz HJXVXYULXRGXSG-KBPBESRZSA-N 1 2 291.395 2.252 20 30 CEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)[nH]1 ZINC000329442407 394563942 /nfs/dbraw/zinc/56/39/42/394563942.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 1 2 291.399 2.049 20 30 CEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)[nH]1 ZINC000329442407 394563945 /nfs/dbraw/zinc/56/39/45/394563945.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 1 2 291.399 2.049 20 30 CEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)n1 ZINC000329442407 394563948 /nfs/dbraw/zinc/56/39/48/394563948.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 1 2 291.399 2.049 20 30 CEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)n1 ZINC000329442407 394563952 /nfs/dbraw/zinc/56/39/52/394563952.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 1 2 291.399 2.049 20 30 CEEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)n[nH]1 ZINC000329442407 394563957 /nfs/dbraw/zinc/56/39/57/394563957.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 1 2 291.399 2.049 20 30 CEEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)n[nH]1 ZINC000329442407 394563959 /nfs/dbraw/zinc/56/39/59/394563959.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 1 2 291.399 2.049 20 30 CEEDLO Cc1cc(CC(=O)NCCc2cn3c([nH+]2)CCCC3)no1 ZINC000329752398 394582737 /nfs/dbraw/zinc/58/27/37/394582737.db2.gz JMYYXMLFVKLIQR-UHFFFAOYSA-N 1 2 288.351 2.258 20 30 CEEDLO CCC1(C)CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329768288 394584476 /nfs/dbraw/zinc/58/44/76/394584476.db2.gz GLRKGAGGYVKMKD-UHFFFAOYSA-N 1 2 276.384 2.365 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329781685 394585237 /nfs/dbraw/zinc/58/52/37/394585237.db2.gz SYEYZLHFKLYJSI-MCIONIFRSA-N 1 2 291.395 2.421 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329781685 394585238 /nfs/dbraw/zinc/58/52/38/394585238.db2.gz SYEYZLHFKLYJSI-MCIONIFRSA-N 1 2 291.395 2.421 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413316585 394524770 /nfs/dbraw/zinc/52/47/70/394524770.db2.gz PVSAWTOLEAGHEH-QWHCGFSZSA-N 1 2 290.411 2.308 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413316585 394524774 /nfs/dbraw/zinc/52/47/74/394524774.db2.gz PVSAWTOLEAGHEH-QWHCGFSZSA-N 1 2 290.411 2.308 20 30 CEEDLO CC(C)(C[NH+]1CCOCC1)Nc1nccc(C#N)c1Cl ZINC000308669284 394530383 /nfs/dbraw/zinc/53/03/83/394530383.db2.gz VYUROTXPMZHMAS-UHFFFAOYSA-N 1 2 294.786 2.129 20 30 CEEDLO CN(C(=O)C1CC[NH+](CCC#N)CC1)c1ccccc1 ZINC000049750559 394551760 /nfs/dbraw/zinc/55/17/60/394551760.db2.gz LJEGFQZTEWPABR-UHFFFAOYSA-N 1 2 271.364 2.275 20 30 CEEDLO Cc1nnsc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000330421655 394608166 /nfs/dbraw/zinc/60/81/66/394608166.db2.gz HFAAXSOLIQDGEP-QMMMGPOBSA-N 1 2 265.342 2.272 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C[C@@H](C)C#N ZINC000330562986 394618635 /nfs/dbraw/zinc/61/86/35/394618635.db2.gz UFJCWGCWWLQCDT-BFHYXJOUSA-N 1 2 265.401 2.163 20 30 CEEDLO CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C[C@@H](C)C#N ZINC000330562986 394618640 /nfs/dbraw/zinc/61/86/40/394618640.db2.gz UFJCWGCWWLQCDT-BFHYXJOUSA-N 1 2 265.401 2.163 20 30 CEEDLO Cc1noc(C(C)C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330616356 394621853 /nfs/dbraw/zinc/62/18/53/394621853.db2.gz DRAWEDZICHVARL-LLVKDONJSA-N 1 2 295.383 2.132 20 30 CEEDLO Cc1noc(C(C)C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330616356 394621857 /nfs/dbraw/zinc/62/18/57/394621857.db2.gz DRAWEDZICHVARL-LLVKDONJSA-N 1 2 295.383 2.132 20 30 CEEDLO Cc1ccccc1N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000334319552 394673842 /nfs/dbraw/zinc/67/38/42/394673842.db2.gz UKOCUPAQZPPLNT-UHFFFAOYSA-N 1 2 255.365 2.421 20 30 CEEDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N ZINC000268322956 394692800 /nfs/dbraw/zinc/69/28/00/394692800.db2.gz UPMIAYBJQMFEIL-HUUCEWRRSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)[C@H](C)CC#N ZINC000268322956 394692804 /nfs/dbraw/zinc/69/28/04/394692804.db2.gz UPMIAYBJQMFEIL-HUUCEWRRSA-N 1 2 276.380 2.277 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)o1 ZINC000334738141 394707292 /nfs/dbraw/zinc/70/72/92/394707292.db2.gz QAAQOUPFSNHDSY-LLVKDONJSA-N 1 2 274.242 2.040 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)o1 ZINC000334738141 394707296 /nfs/dbraw/zinc/70/72/96/394707296.db2.gz QAAQOUPFSNHDSY-LLVKDONJSA-N 1 2 274.242 2.040 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@H](CCC#N)c2ccccc2)c[nH+]1 ZINC000269646279 394719798 /nfs/dbraw/zinc/71/97/98/394719798.db2.gz PDRINHDHYGEPJD-CYBMUJFWSA-N 1 2 268.320 2.493 20 30 CEEDLO C=CCNC(=O)Nc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000114766956 394752323 /nfs/dbraw/zinc/75/23/23/394752323.db2.gz PEZGWTSXGHSMAA-UHFFFAOYSA-N 1 2 285.351 2.340 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000362271271 394851713 /nfs/dbraw/zinc/85/17/13/394851713.db2.gz UFYDFHSNMUIWIJ-KGLIPLIRSA-N 1 2 291.395 2.484 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000362271271 394851716 /nfs/dbraw/zinc/85/17/16/394851716.db2.gz UFYDFHSNMUIWIJ-KGLIPLIRSA-N 1 2 291.395 2.484 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000366090044 394937438 /nfs/dbraw/zinc/93/74/38/394937438.db2.gz MRFAGEJCFDODMJ-NSHDSACASA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000366090044 394937441 /nfs/dbraw/zinc/93/74/41/394937441.db2.gz MRFAGEJCFDODMJ-NSHDSACASA-N 1 2 290.201 2.165 20 30 CEEDLO Cc1cc([C@@H]2C[N@H+](CCOCCC#N)CCO2)ccc1F ZINC000339060459 394941047 /nfs/dbraw/zinc/94/10/47/394941047.db2.gz XNVDCNZAHGXIFK-INIZCTEOSA-N 1 2 292.354 2.438 20 30 CEEDLO Cc1cc([C@@H]2C[N@@H+](CCOCCC#N)CCO2)ccc1F ZINC000339060459 394941050 /nfs/dbraw/zinc/94/10/50/394941050.db2.gz XNVDCNZAHGXIFK-INIZCTEOSA-N 1 2 292.354 2.438 20 30 CEEDLO CC#CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000339350863 394956596 /nfs/dbraw/zinc/95/65/96/394956596.db2.gz YVCQQDINWZRVPQ-UHFFFAOYSA-N 1 2 278.783 2.301 20 30 CEEDLO CC#CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000339350863 394956598 /nfs/dbraw/zinc/95/65/98/394956598.db2.gz YVCQQDINWZRVPQ-UHFFFAOYSA-N 1 2 278.783 2.301 20 30 CEEDLO C#CCOCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000366538251 394947732 /nfs/dbraw/zinc/94/77/32/394947732.db2.gz AJTPZOGBMNLYPU-UHFFFAOYSA-N 1 2 283.331 2.364 20 30 CEEDLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)c1cc(F)cc(C#N)c1 ZINC000286019705 395001000 /nfs/dbraw/zinc/00/10/00/395001000.db2.gz PUWJLNAOOWVQED-UHFFFAOYSA-N 1 2 286.310 2.014 20 30 CEEDLO C=C(C)[C@@H](CC(=O)NCc1ccc[nH+]c1N(C)C)OCC ZINC000339420758 394958963 /nfs/dbraw/zinc/95/89/63/394958963.db2.gz AULFZIRPLUNFGO-CQSZACIVSA-N 1 2 291.395 2.135 20 30 CEEDLO Cc1cc(NCCN(C)c2ccccc2)c(C#N)c[nH+]1 ZINC000425207886 395052354 /nfs/dbraw/zinc/05/23/54/395052354.db2.gz 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/nfs/dbraw/zinc/07/48/69/395074869.db2.gz OYAXAAOMPXBSNQ-UHFFFAOYSA-N 1 2 286.404 2.246 20 30 CEEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157280061 395034337 /nfs/dbraw/zinc/03/43/37/395034337.db2.gz JPGLXMSAPRCUHG-BBRMVZONSA-N 1 2 293.794 2.163 20 30 CEEDLO C[C@H](O)C[C@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157280061 395034342 /nfs/dbraw/zinc/03/43/42/395034342.db2.gz JPGLXMSAPRCUHG-BBRMVZONSA-N 1 2 293.794 2.163 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000287502208 395042780 /nfs/dbraw/zinc/04/27/80/395042780.db2.gz YVNZJJZWHBSPOZ-HNNXBMFYSA-N 1 2 281.359 2.093 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)Cc1cn2cccnc2n1 ZINC000173546917 395113658 /nfs/dbraw/zinc/11/36/58/395113658.db2.gz GJQLBNNQPONVRS-UHFFFAOYSA-N 1 2 271.368 2.491 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)Cc1cn2cccnc2n1 ZINC000173546917 395113663 /nfs/dbraw/zinc/11/36/63/395113663.db2.gz GJQLBNNQPONVRS-UHFFFAOYSA-N 1 2 271.368 2.491 20 30 CEEDLO CCn1c[nH+]cc1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000417810556 395131234 /nfs/dbraw/zinc/13/12/34/395131234.db2.gz IWKGQCVFXNOPFI-KRWDZBQOSA-N 1 2 296.374 2.348 20 30 CEEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1C#N ZINC000348699083 395148433 /nfs/dbraw/zinc/14/84/33/395148433.db2.gz AGWIYURFZWCTAE-UHFFFAOYSA-N 1 2 273.311 2.395 20 30 CEEDLO CCN(C)c1ccc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348710370 395149664 /nfs/dbraw/zinc/14/96/64/395149664.db2.gz OSISUTOVKQVYNH-UHFFFAOYSA-N 1 2 276.359 2.365 20 30 CEEDLO Cc1cccc2ncc(C[NH+]3CCC(F)(C#N)CC3)n21 ZINC000348708123 395149899 /nfs/dbraw/zinc/14/98/99/395149899.db2.gz KHCNBNTYQHPBFU-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO N#CC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000178367868 395166159 /nfs/dbraw/zinc/16/61/59/395166159.db2.gz DDYSOUFAANWDBT-UHFFFAOYSA-N 1 2 282.347 2.425 20 30 CEEDLO N#CCc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000352189482 395245922 /nfs/dbraw/zinc/24/59/22/395245922.db2.gz GOHIZRKHSHFNRQ-UHFFFAOYSA-N 1 2 254.293 2.047 20 30 CEEDLO N#CCc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000352189482 395245924 /nfs/dbraw/zinc/24/59/24/395245924.db2.gz GOHIZRKHSHFNRQ-UHFFFAOYSA-N 1 2 254.293 2.047 20 30 CEEDLO C#CC[N@@H+](Cc1nccc(N)n1)[C@@H]1CCc2ccccc21 ZINC000179201445 395183568 /nfs/dbraw/zinc/18/35/68/395183568.db2.gz JANFDOBYAHHMHT-OAHLLOKOSA-N 1 2 278.359 2.182 20 30 CEEDLO C#CC[N@H+](Cc1nccc(N)n1)[C@@H]1CCc2ccccc21 ZINC000179201445 395183572 /nfs/dbraw/zinc/18/35/72/395183572.db2.gz JANFDOBYAHHMHT-OAHLLOKOSA-N 1 2 278.359 2.182 20 30 CEEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000180919691 395207261 /nfs/dbraw/zinc/20/72/61/395207261.db2.gz WKNQCDYLAGZYNA-LLVKDONJSA-N 1 2 270.336 2.319 20 30 CEEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411305987 395327053 /nfs/dbraw/zinc/32/70/53/395327053.db2.gz KMWOOZTTYYLWHN-CYBMUJFWSA-N 1 2 294.420 2.384 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411305987 395327058 /nfs/dbraw/zinc/32/70/58/395327058.db2.gz KMWOOZTTYYLWHN-CYBMUJFWSA-N 1 2 294.420 2.384 20 30 CEEDLO COC(=O)c1ccc(F)c(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352449940 395255819 /nfs/dbraw/zinc/25/58/19/395255819.db2.gz PDAWPBFZYOCFGG-UHFFFAOYSA-N 1 2 294.301 2.440 20 30 CEEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1cccs1 ZINC000352489777 395260226 /nfs/dbraw/zinc/26/02/26/395260226.db2.gz CQXDAHQTPXBAKF-NSHDSACASA-N 1 2 295.383 2.253 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C)C1=O ZINC000352905821 395275511 /nfs/dbraw/zinc/27/55/11/395275511.db2.gz ZXQXFDATQRWFBF-OAHLLOKOSA-N 1 2 290.411 2.073 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C)C1=O ZINC000352905821 395275515 /nfs/dbraw/zinc/27/55/15/395275515.db2.gz ZXQXFDATQRWFBF-OAHLLOKOSA-N 1 2 290.411 2.073 20 30 CEEDLO C=C(C)CCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411581654 395331698 /nfs/dbraw/zinc/33/16/98/395331698.db2.gz ZAVVIUNWBFEMMZ-UHFFFAOYSA-N 1 2 275.352 2.028 20 30 CEEDLO N#CCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000411733303 395337722 /nfs/dbraw/zinc/33/77/22/395337722.db2.gz 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395549976 /nfs/dbraw/zinc/54/99/76/395549976.db2.gz BWCQDGKXIZQJIY-HYXAFXHYSA-N 1 2 257.337 2.339 20 30 CEEDLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000450663037 395573842 /nfs/dbraw/zinc/57/38/42/395573842.db2.gz KLFXXNYJSOQQMH-NSHDSACASA-N 1 2 268.320 2.208 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000569738681 395580375 /nfs/dbraw/zinc/58/03/75/395580375.db2.gz FUGBQQASUHDYQV-AAEUAGOBSA-N 1 2 287.363 2.498 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000648190676 395856611 /nfs/dbraw/zinc/85/66/11/395856611.db2.gz IENMDSRLBWLZQS-UHFFFAOYSA-N 1 2 258.365 2.331 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000649241742 396100211 /nfs/dbraw/zinc/10/02/11/396100211.db2.gz MNQVCBNVKRMQGZ-AWEZNQCLSA-N 1 2 287.363 2.094 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000649241742 396100212 /nfs/dbraw/zinc/10/02/12/396100212.db2.gz MNQVCBNVKRMQGZ-AWEZNQCLSA-N 1 2 287.363 2.094 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000649353993 396126937 /nfs/dbraw/zinc/12/69/37/396126937.db2.gz URPRFUVQTLZWRL-HOTGVXAUSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000649353993 396126939 /nfs/dbraw/zinc/12/69/39/396126939.db2.gz URPRFUVQTLZWRL-HOTGVXAUSA-N 1 2 277.364 2.006 20 30 CEEDLO COc1ccccc1N1CC[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000150849116 400281478 /nfs/dbraw/zinc/28/14/78/400281478.db2.gz UXPKQDNSAWKKSF-HNNXBMFYSA-N 1 2 299.374 2.036 20 30 CEEDLO CC(C)OCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367141131 156137733 /nfs/dbraw/zinc/13/77/33/156137733.db2.gz ORFCPMLGSIYCSM-MRXNPFEDSA-N 1 2 274.364 2.357 20 30 CEEDLO CC(C)OCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367141131 156137735 /nfs/dbraw/zinc/13/77/35/156137735.db2.gz ORFCPMLGSIYCSM-MRXNPFEDSA-N 1 2 274.364 2.357 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 ZINC000371672204 156689596 /nfs/dbraw/zinc/68/95/96/156689596.db2.gz SCTCNTXSBIYUIM-NSHDSACASA-N 1 2 286.360 2.331 20 30 CEEDLO N#Cc1cccc(C[NH+]2CC(O)(c3ccccc3)C2)c1 ZINC000375854037 157153979 /nfs/dbraw/zinc/15/39/79/157153979.db2.gz RRHUTGBLOCCXGJ-UHFFFAOYSA-N 1 2 264.328 2.262 20 30 CEEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nnc2n1CCCC2 ZINC000177707589 165207447 /nfs/dbraw/zinc/20/74/47/165207447.db2.gz GGDOTMOAYBSOPD-SNVBAGLBSA-N 1 2 287.392 2.398 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccccc3C#N)[C@@H]2C1 ZINC000179485250 165280912 /nfs/dbraw/zinc/28/09/12/165280912.db2.gz HIUAPWAYQZSKJY-ZACQAIPSSA-N 1 2 286.375 2.327 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccccc3C#N)[C@@H]2C1 ZINC000179485250 165280920 /nfs/dbraw/zinc/28/09/20/165280920.db2.gz HIUAPWAYQZSKJY-ZACQAIPSSA-N 1 2 286.375 2.327 20 30 CEEDLO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nncn1C ZINC000285326289 196251548 /nfs/dbraw/zinc/25/15/48/196251548.db2.gz JIRGPQMPFZMDHO-AWEZNQCLSA-N 1 2 287.342 2.313 20 30 CEEDLO COCC#CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912353 414788944 /nfs/dbraw/zinc/78/89/44/414788944.db2.gz PXWOKWATVZKVGF-OAHLLOKOSA-N 1 2 270.332 2.198 20 30 CEEDLO C=CCCn1cc(C[NH+]2CCC(OCC3CC3)CC2)nn1 ZINC000653561427 415034584 /nfs/dbraw/zinc/03/45/84/415034584.db2.gz DUIRXLVNKGXWGO-UHFFFAOYSA-N 1 2 290.411 2.245 20 30 CEEDLO C=C(CC)CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663985360 415111911 /nfs/dbraw/zinc/11/19/11/415111911.db2.gz HFZNPAJNIROZOZ-UHFFFAOYSA-N 1 2 276.384 2.206 20 30 CEEDLO C=C(CC)CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663985360 415111917 /nfs/dbraw/zinc/11/19/17/415111917.db2.gz HFZNPAJNIROZOZ-UHFFFAOYSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000661205321 415131060 /nfs/dbraw/zinc/13/10/60/415131060.db2.gz UOYANNOKDGUFGB-QWHCGFSZSA-N 1 2 288.395 2.265 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000661205321 415131067 /nfs/dbraw/zinc/13/10/67/415131067.db2.gz UOYANNOKDGUFGB-QWHCGFSZSA-N 1 2 288.395 2.265 20 30 CEEDLO C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@@H](C)C1=O ZINC000661546218 415321004 /nfs/dbraw/zinc/32/10/04/415321004.db2.gz KFWUHTCRYKVJIN-CHWSQXEVSA-N 1 2 259.324 2.334 20 30 CEEDLO N#Cc1cccc(CNC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000076657902 177047178 /nfs/dbraw/zinc/04/71/78/177047178.db2.gz FEWLNQIELWQGTC-UHFFFAOYSA-N 1 2 276.299 2.136 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383305 177261431 /nfs/dbraw/zinc/26/14/31/177261431.db2.gz FTJGNIVOIUFEGM-UHFFFAOYSA-N 1 2 259.353 2.124 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383305 177261432 /nfs/dbraw/zinc/26/14/32/177261432.db2.gz FTJGNIVOIUFEGM-UHFFFAOYSA-N 1 2 259.353 2.124 20 30 CEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000077966214 177313550 /nfs/dbraw/zinc/31/35/50/177313550.db2.gz QHZAYTMHVKCOMZ-UHFFFAOYSA-N 1 2 273.317 2.063 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334846122 225334747 /nfs/dbraw/zinc/33/47/47/225334747.db2.gz MCNASGKTLIXAJL-UHFFFAOYSA-N 1 2 270.292 2.245 20 30 CEEDLO COc1cc[nH+]c(CN(C[C@@H](C)C#N)C2CC2)c1OC ZINC000354708082 227078810 /nfs/dbraw/zinc/07/88/10/227078810.db2.gz AVHMOIWUUZBDKH-NSHDSACASA-N 1 2 275.352 2.223 20 30 CEEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)s1 ZINC000329135383 227320427 /nfs/dbraw/zinc/32/04/27/227320427.db2.gz CDCWCUJKBPMJBQ-GFCCVEGCSA-N 1 2 294.424 2.425 20 30 CEEDLO Cc1nnc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)s1 ZINC000329135383 227320434 /nfs/dbraw/zinc/32/04/34/227320434.db2.gz CDCWCUJKBPMJBQ-GFCCVEGCSA-N 1 2 294.424 2.425 20 30 CEEDLO C[C@]1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCOC1 ZINC000329305353 227426179 /nfs/dbraw/zinc/42/61/79/227426179.db2.gz YHEIYFQWHBVOMM-GDBMZVCRSA-N 1 2 296.411 2.013 20 30 CEEDLO C[C@]1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCOC1 ZINC000329305353 227426184 /nfs/dbraw/zinc/42/61/84/227426184.db2.gz YHEIYFQWHBVOMM-GDBMZVCRSA-N 1 2 296.411 2.013 20 30 CEEDLO C#CCSCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287690005 419472587 /nfs/dbraw/zinc/47/25/87/419472587.db2.gz YWQFSAWVYNPYAY-UHFFFAOYSA-N 1 2 263.366 2.186 20 30 CEEDLO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000048544039 260200718 /nfs/dbraw/zinc/20/07/18/260200718.db2.gz FHXZSAJPPXRSQQ-SECBINFHSA-N 1 2 254.359 2.391 20 30 CEEDLO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1nncs1 ZINC000048544039 260200721 /nfs/dbraw/zinc/20/07/21/260200721.db2.gz FHXZSAJPPXRSQQ-SECBINFHSA-N 1 2 254.359 2.391 20 30 CEEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000363460487 260262909 /nfs/dbraw/zinc/26/29/09/260262909.db2.gz FBYSYBFTNCAJBR-LBPRGKRZSA-N 1 2 277.393 2.161 20 30 CEEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000363460487 260262911 /nfs/dbraw/zinc/26/29/11/260262911.db2.gz FBYSYBFTNCAJBR-LBPRGKRZSA-N 1 2 277.393 2.161 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000518310279 260373827 /nfs/dbraw/zinc/37/38/27/260373827.db2.gz BLYODEQLQSSNNM-CABCVRRESA-N 1 2 297.358 2.284 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000159304429 260914972 /nfs/dbraw/zinc/91/49/72/260914972.db2.gz CUUACQKJTPCYQH-UHFFFAOYSA-N 1 2 290.794 2.050 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+](C)[C@H](C)CC#N)cc12 ZINC000161810592 261260583 /nfs/dbraw/zinc/26/05/83/261260583.db2.gz ZAZTVQXHSCXPAX-SNVBAGLBSA-N 1 2 257.341 2.011 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+](C)[C@H](C)CC#N)cc12 ZINC000161810592 261260585 /nfs/dbraw/zinc/26/05/85/261260585.db2.gz ZAZTVQXHSCXPAX-SNVBAGLBSA-N 1 2 257.341 2.011 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000161980346 261264927 /nfs/dbraw/zinc/26/49/27/261264927.db2.gz VQEMYLPKZRGBBH-NSHDSACASA-N 1 2 263.297 2.208 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000161980346 261264930 /nfs/dbraw/zinc/26/49/30/261264930.db2.gz VQEMYLPKZRGBBH-NSHDSACASA-N 1 2 263.297 2.208 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)N1CCc2ccccc2C1 ZINC000189035813 262166535 /nfs/dbraw/zinc/16/65/35/262166535.db2.gz PNSCGMZURHTFIV-UHFFFAOYSA-N 1 2 285.391 2.197 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)N1CCc2ccccc2C1 ZINC000189035813 262166537 /nfs/dbraw/zinc/16/65/37/262166537.db2.gz PNSCGMZURHTFIV-UHFFFAOYSA-N 1 2 285.391 2.197 20 30 CEEDLO N#CCC[N@H+](CC[C@@H]1CCCO1)Cc1ccccn1 ZINC000189511046 262172293 /nfs/dbraw/zinc/17/22/93/262172293.db2.gz ALLXSICWUCFGEO-HNNXBMFYSA-N 1 2 259.353 2.366 20 30 CEEDLO N#CCC[N@@H+](CC[C@@H]1CCCO1)Cc1ccccn1 ZINC000189511046 262172294 /nfs/dbraw/zinc/17/22/94/262172294.db2.gz ALLXSICWUCFGEO-HNNXBMFYSA-N 1 2 259.353 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364333143 262205096 /nfs/dbraw/zinc/20/50/96/262205096.db2.gz AROYSGFLXNCBOS-JTQLQIEISA-N 1 2 270.720 2.181 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364333143 262205097 /nfs/dbraw/zinc/20/50/97/262205097.db2.gz AROYSGFLXNCBOS-JTQLQIEISA-N 1 2 270.720 2.181 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCNC3=O)c(Cl)c1 ZINC000518790753 262209081 /nfs/dbraw/zinc/20/90/81/262209081.db2.gz LXBMSUNRYLRTTA-HNNXBMFYSA-N 1 2 289.766 2.066 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCNC3=O)c(Cl)c1 ZINC000518790753 262209082 /nfs/dbraw/zinc/20/90/82/262209082.db2.gz LXBMSUNRYLRTTA-HNNXBMFYSA-N 1 2 289.766 2.066 20 30 CEEDLO COc1ccccc1OCCNc1cc(C)[nH+]cc1C#N ZINC000521428305 262330884 /nfs/dbraw/zinc/33/08/84/262330884.db2.gz IEUAAVZFTZAGSW-UHFFFAOYSA-N 1 2 283.331 2.183 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCCCC#N ZINC000365408780 262364364 /nfs/dbraw/zinc/36/43/64/262364364.db2.gz ZJVXFCVYAIZAKU-UHFFFAOYSA-N 1 2 289.383 2.055 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000369284728 262368049 /nfs/dbraw/zinc/36/80/49/262368049.db2.gz SNRWSZWGVGDXRZ-ZBFHGGJFSA-N 1 2 285.391 2.412 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000369284728 262368050 /nfs/dbraw/zinc/36/80/50/262368050.db2.gz SNRWSZWGVGDXRZ-ZBFHGGJFSA-N 1 2 285.391 2.412 20 30 CEEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000365568245 262370786 /nfs/dbraw/zinc/37/07/86/262370786.db2.gz DDQBVPWSKNXYPG-GFCCVEGCSA-N 1 2 283.335 2.077 20 30 CEEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000365568245 262370787 /nfs/dbraw/zinc/37/07/87/262370787.db2.gz DDQBVPWSKNXYPG-GFCCVEGCSA-N 1 2 283.335 2.077 20 30 CEEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272545093 263006128 /nfs/dbraw/zinc/00/61/28/263006128.db2.gz KBLYOKVSWIUEHL-ZDUSSCGKSA-N 1 2 296.378 2.349 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000272623509 263007716 /nfs/dbraw/zinc/00/77/16/263007716.db2.gz RTKWNXMBAPBRAC-CYBMUJFWSA-N 1 2 294.399 2.350 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000276267714 263035270 /nfs/dbraw/zinc/03/52/70/263035270.db2.gz CBWVYUMKGBFUTF-LBPRGKRZSA-N 1 2 276.384 2.101 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276594543 263037387 /nfs/dbraw/zinc/03/73/87/263037387.db2.gz NMARNLMPVDAAGV-AATRIKPKSA-N 1 2 260.341 2.211 20 30 CEEDLO C=CC[C@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000281755834 263071650 /nfs/dbraw/zinc/07/16/50/263071650.db2.gz PTONJRLGCOTDHH-ZDUSSCGKSA-N 1 2 270.336 2.352 20 30 CEEDLO CN(C)c1[nH]c2ccc(NC(=O)C3(C#N)CCC3)cc2[nH+]1 ZINC000283033966 263080752 /nfs/dbraw/zinc/08/07/52/263080752.db2.gz OUESFSVHCCCNKE-UHFFFAOYSA-N 1 2 283.335 2.261 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000286263532 263097926 /nfs/dbraw/zinc/09/79/26/263097926.db2.gz BCHDGQVLRYLIOU-OAHLLOKOSA-N 1 2 270.336 2.199 20 30 CEEDLO CCN(CC)c1ccc(/C=[NH+]/[C@H](CF)C(=O)OC)c(O)c1 ZINC000287193370 263101155 /nfs/dbraw/zinc/10/11/55/263101155.db2.gz LDNRAXGOURAGHI-VGSSETLESA-N 1 2 296.342 2.168 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCCSC2)c1O ZINC000287191242 263101293 /nfs/dbraw/zinc/10/12/93/263101293.db2.gz LATODYHTNHTOCM-LBMJDHPKSA-N 1 2 280.393 2.150 20 30 CEEDLO CC(C)(C#N)CC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000288728444 263105681 /nfs/dbraw/zinc/10/56/81/263105681.db2.gz NBYBCUABIOCIFN-UHFFFAOYSA-N 1 2 256.313 2.014 20 30 CEEDLO C[N@H+](CCOCCC#N)Cc1nc(-c2cccs2)no1 ZINC000293641143 263145295 /nfs/dbraw/zinc/14/52/95/263145295.db2.gz RRFBUFJJUBJLFE-UHFFFAOYSA-N 1 2 292.364 2.160 20 30 CEEDLO C[N@@H+](CCOCCC#N)Cc1nc(-c2cccs2)no1 ZINC000293641143 263145297 /nfs/dbraw/zinc/14/52/97/263145297.db2.gz RRFBUFJJUBJLFE-UHFFFAOYSA-N 1 2 292.364 2.160 20 30 CEEDLO N#C[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)CC12CCCC2 ZINC000294191757 263157548 /nfs/dbraw/zinc/15/75/48/263157548.db2.gz AZGQUOVRYLHGFF-KRWDZBQOSA-N 1 2 294.358 2.425 20 30 CEEDLO N#C[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CC12CCCC2 ZINC000295006330 263170850 /nfs/dbraw/zinc/17/08/50/263170850.db2.gz QKDMBTNEKKXAKF-QGZVFWFLSA-N 1 2 294.358 2.425 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccn2CC)n1 ZINC000296969397 263199275 /nfs/dbraw/zinc/19/92/75/263199275.db2.gz USZTYJFKBGCRJL-UHFFFAOYSA-N 1 2 270.380 2.360 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccn2CC)n1 ZINC000296969397 263199276 /nfs/dbraw/zinc/19/92/76/263199276.db2.gz USZTYJFKBGCRJL-UHFFFAOYSA-N 1 2 270.380 2.360 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)C(C)(C)C#N)c[nH+]1 ZINC000298901791 263228021 /nfs/dbraw/zinc/22/80/21/263228021.db2.gz BBZWBZYMSCHEQR-UHFFFAOYSA-N 1 2 274.368 2.094 20 30 CEEDLO CCOC(=O)CC/[NH+]=C/c1cccc(OCC)c1O ZINC000299275103 263237604 /nfs/dbraw/zinc/23/76/04/263237604.db2.gz YEMIXVFEYPIPBP-XNTDXEJSSA-N 1 2 265.309 2.163 20 30 CEEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NCC#N ZINC000121061660 263291130 /nfs/dbraw/zinc/29/11/30/263291130.db2.gz DFACLRHZKBAXGC-LLVKDONJSA-N 1 2 294.424 2.208 20 30 CEEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NCC#N ZINC000121061660 263291131 /nfs/dbraw/zinc/29/11/31/263291131.db2.gz DFACLRHZKBAXGC-LLVKDONJSA-N 1 2 294.424 2.208 20 30 CEEDLO CC#CCCCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000341535365 263342297 /nfs/dbraw/zinc/34/22/97/263342297.db2.gz WNJNPCVSXKALJW-HNNXBMFYSA-N 1 2 272.348 2.255 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2cn3cc(C)ccc3n2)CC1 ZINC000341999804 263375391 /nfs/dbraw/zinc/37/53/91/263375391.db2.gz YHNRZZWVTKDOJL-UHFFFAOYSA-N 1 2 298.390 2.395 20 30 CEEDLO CCC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000328862932 263882662 /nfs/dbraw/zinc/88/26/62/263882662.db2.gz BAPIFQOVMJQJHZ-GFCCVEGCSA-N 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605504326 /nfs/dbraw/zinc/50/43/26/605504326.db2.gz OYTQGLTUMFVRGG-AWEZNQCLSA-N 1 2 280.412 2.260 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000948965141 613279775 /nfs/dbraw/zinc/27/97/75/613279775.db2.gz GISGOIMELNVSIL-IAGOWNOFSA-N 1 2 294.398 2.135 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000948965141 613279776 /nfs/dbraw/zinc/27/97/76/613279776.db2.gz GISGOIMELNVSIL-IAGOWNOFSA-N 1 2 294.398 2.135 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC000957109216 613294549 /nfs/dbraw/zinc/29/45/49/613294549.db2.gz XOYCWWBYJZHGHS-GDBMZVCRSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC000950446988 613295506 /nfs/dbraw/zinc/29/55/06/613295506.db2.gz DZCWFSVXPYIEEQ-LSDHHAIUSA-N 1 2 280.412 2.053 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn3ccccc3n2)C1 ZINC000957355685 613296900 /nfs/dbraw/zinc/29/69/00/613296900.db2.gz WEYGUZDRICCORB-UHFFFAOYSA-N 1 2 298.390 2.057 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(CCC)n2)C1 ZINC000957132034 613297385 /nfs/dbraw/zinc/29/73/85/613297385.db2.gz HWIKCWVMNQXSMI-UHFFFAOYSA-N 1 2 291.395 2.350 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000949195736 613320376 /nfs/dbraw/zinc/32/03/76/613320376.db2.gz NBOXDNUUWKVZEP-UHFFFAOYSA-N 1 2 281.787 2.012 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(OC)cs2)CC1 ZINC000949606851 613320445 /nfs/dbraw/zinc/32/04/45/613320445.db2.gz OGXVKVKSCIPQPF-UHFFFAOYSA-N 1 2 280.393 2.091 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncc(Cl)c2C)CC1 ZINC000948883198 613321643 /nfs/dbraw/zinc/32/16/43/613321643.db2.gz YXBIWTBUHYVFME-UHFFFAOYSA-N 1 2 293.798 2.377 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(OC)o2)C1 ZINC000970642091 613371845 /nfs/dbraw/zinc/37/18/45/613371845.db2.gz CNYYRLPEBUCNJJ-SNVBAGLBSA-N 1 2 298.770 2.091 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]cc2C)C1 ZINC000970873828 613371859 /nfs/dbraw/zinc/37/18/59/613371859.db2.gz FPOBHMGSUNCZKB-LLVKDONJSA-N 1 2 281.787 2.126 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccnc2C)C1 ZINC000970353644 613371867 /nfs/dbraw/zinc/37/18/67/613371867.db2.gz FCHXKQNALXQMMN-LLVKDONJSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnoc2CC)C1 ZINC000970515876 613371909 /nfs/dbraw/zinc/37/19/09/613371909.db2.gz MGFQVVJAQKKIEZ-SNVBAGLBSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000970185788 613372249 /nfs/dbraw/zinc/37/22/49/613372249.db2.gz WAHFXYNLAYZJEK-NJZAAPMLSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C)o2)C1 ZINC000969253776 613372336 /nfs/dbraw/zinc/37/23/36/613372336.db2.gz KYSJIBOCRZXUEJ-NSHDSACASA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccsn2)C1 ZINC000966900569 613375474 /nfs/dbraw/zinc/37/54/74/613375474.db2.gz VAXLKIQNMQBDCN-SKDRFNHKSA-N 1 2 299.827 2.336 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccsn2)C1 ZINC000966900569 613375475 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C=CCN1C(=O)/C(=C/c2ccc(N)[nH+]c2)SC1=S ZINC000821028646 634607704 /nfs/dbraw/zinc/60/77/04/634607704.db2.gz UYCZIWGKCZIQBQ-TWGQIWQCSA-N 1 2 277.374 2.051 20 30 CEEDLO C=CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000328594364 627894345 /nfs/dbraw/zinc/89/43/45/627894345.db2.gz FQRKRNPIDHLQDE-UHFFFAOYSA-N 1 2 290.363 2.040 20 30 CEEDLO C=CC[N@H+](CN1C(=O)CC12CCCC2)[C@@H](C)COC ZINC000853533677 628040513 /nfs/dbraw/zinc/04/05/13/628040513.db2.gz AAAVSKREWAFRBU-ZDUSSCGKSA-N 1 2 266.385 2.012 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)CC12CCCC2)[C@@H](C)COC ZINC000853533677 628040517 /nfs/dbraw/zinc/04/05/17/628040517.db2.gz AAAVSKREWAFRBU-ZDUSSCGKSA-N 1 2 266.385 2.012 20 30 CEEDLO Cn1c[nH+]c(CCNc2nc(Cl)c(C#N)s2)c1 ZINC000313358934 628590438 /nfs/dbraw/zinc/59/04/38/628590438.db2.gz VKWMVIKPAMXNLI-UHFFFAOYSA-N 1 2 267.745 2.056 20 30 CEEDLO C#CCC[C@H](O)CNc1ccc2ccc(OC)cc2[nH+]1 ZINC000893674050 628909781 /nfs/dbraw/zinc/90/97/81/628909781.db2.gz VJNIXJZEUSBQBA-ZDUSSCGKSA-N 1 2 270.332 2.430 20 30 CEEDLO CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000925040573 629397407 /nfs/dbraw/zinc/39/74/07/629397407.db2.gz ODVKRSGCKWVDTF-HOCLYGCPSA-N 1 2 274.364 2.466 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000895025462 629809485 /nfs/dbraw/zinc/80/94/85/629809485.db2.gz QXAQSMVMZGPURD-HNNXBMFYSA-N 1 2 252.321 2.449 20 30 CEEDLO N#CC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000141974863 629970802 /nfs/dbraw/zinc/97/08/02/629970802.db2.gz BAKGGZRALJZYAY-CYBMUJFWSA-N 1 2 266.291 2.234 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000895201951 630030737 /nfs/dbraw/zinc/03/07/37/630030737.db2.gz IIVCQENYHUJKJP-JTQLQIEISA-N 1 2 295.180 2.395 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000895201951 630030743 /nfs/dbraw/zinc/03/07/43/630030743.db2.gz IIVCQENYHUJKJP-JTQLQIEISA-N 1 2 295.180 2.395 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc3ccccc3s2)C1 ZINC000902731424 634798879 /nfs/dbraw/zinc/79/88/79/634798879.db2.gz YDIVPRAGVPSJHF-GFCCVEGCSA-N 1 2 299.399 2.124 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3ccccc3s2)C1 ZINC000902731424 634798881 /nfs/dbraw/zinc/79/88/81/634798881.db2.gz YDIVPRAGVPSJHF-GFCCVEGCSA-N 1 2 299.399 2.124 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc3ccccc3s2)C1 ZINC000902731425 634799102 /nfs/dbraw/zinc/79/91/02/634799102.db2.gz YDIVPRAGVPSJHF-LBPRGKRZSA-N 1 2 299.399 2.124 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc3ccccc3s2)C1 ZINC000902731425 634799103 /nfs/dbraw/zinc/79/91/03/634799103.db2.gz YDIVPRAGVPSJHF-LBPRGKRZSA-N 1 2 299.399 2.124 20 30 CEEDLO C#CCSCC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000895843168 630367030 /nfs/dbraw/zinc/36/70/30/630367030.db2.gz JYNKXOWSIFLEHW-UHFFFAOYSA-N 1 2 297.449 2.290 20 30 CEEDLO Cc1cc(F)c(C#N)c(N2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000895959746 630419651 /nfs/dbraw/zinc/41/96/51/630419651.db2.gz FAIDELAVPRHLGG-UHFFFAOYSA-N 1 2 299.353 2.051 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)C(=O)OCC ZINC000896003276 630437836 /nfs/dbraw/zinc/43/78/36/630437836.db2.gz HRVLASPBYFMQHI-BFHYXJOUSA-N 1 2 281.396 2.432 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000896025795 630439086 /nfs/dbraw/zinc/43/90/86/630439086.db2.gz QPTSDNFRUIXCHO-UHFFFAOYSA-N 1 2 276.380 2.322 20 30 CEEDLO CC(=O)C(C)=NOCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000902758726 634812944 /nfs/dbraw/zinc/81/29/44/634812944.db2.gz XLXJSMWZYIZWJC-UHFFFAOYSA-N 1 2 266.316 2.239 20 30 CEEDLO CC(=O)C(C)=NOCC[N@H+](C)Cc1ccc(F)cc1 ZINC000902758726 634812948 /nfs/dbraw/zinc/81/29/48/634812948.db2.gz XLXJSMWZYIZWJC-UHFFFAOYSA-N 1 2 266.316 2.239 20 30 CEEDLO C#CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000928622828 630614833 /nfs/dbraw/zinc/61/48/33/630614833.db2.gz BLVIUZWMJFANDR-UHFFFAOYSA-N 1 2 281.359 2.285 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CCc2c(ncn2CC)C1 ZINC000897336581 631138146 /nfs/dbraw/zinc/13/81/46/631138146.db2.gz IGNCQEOISAUNAI-UHFFFAOYSA-N 1 2 295.386 2.473 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CCc2c(ncn2CC)C1 ZINC000897336581 631138149 /nfs/dbraw/zinc/13/81/49/631138149.db2.gz IGNCQEOISAUNAI-UHFFFAOYSA-N 1 2 295.386 2.473 20 30 CEEDLO C#C[C@@H]1CCCCN1c1nc(N2CCCC2)cc[nH+]1 ZINC000897360464 631186030 /nfs/dbraw/zinc/18/60/30/631186030.db2.gz HMXWKERKHDBZAH-CYBMUJFWSA-N 1 2 256.353 2.069 20 30 CEEDLO O=C1C=C([NH2+]Nc2cc(F)cc(F)c2)[C@@H]2CCCN12 ZINC000799477717 631328123 /nfs/dbraw/zinc/32/81/23/631328123.db2.gz GNMUQGNVLQCGKA-LBPRGKRZSA-N 1 2 265.263 2.127 20 30 CEEDLO Cc1ccccc1[C@@H]1C[N@H+](CCO[C@@H](C)C#N)CCO1 ZINC000801923206 631356780 /nfs/dbraw/zinc/35/67/80/631356780.db2.gz BDALBKDZYKBGTD-HOCLYGCPSA-N 1 2 274.364 2.297 20 30 CEEDLO Cc1ccccc1[C@@H]1C[N@@H+](CCO[C@@H](C)C#N)CCO1 ZINC000801923206 631356787 /nfs/dbraw/zinc/35/67/87/631356787.db2.gz BDALBKDZYKBGTD-HOCLYGCPSA-N 1 2 274.364 2.297 20 30 CEEDLO C=CC[N@H+](CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1)C1CC1 ZINC000840041341 631666697 /nfs/dbraw/zinc/66/66/97/631666697.db2.gz ICEOBAFIGKFEHY-HUUCEWRRSA-N 1 2 260.381 2.241 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1)C1CC1 ZINC000840041341 631666701 /nfs/dbraw/zinc/66/67/01/631666701.db2.gz ICEOBAFIGKFEHY-HUUCEWRRSA-N 1 2 260.381 2.241 20 30 CEEDLO C#CCC(CC#C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000806388947 631737856 /nfs/dbraw/zinc/73/78/56/631737856.db2.gz JWTCZUGBXWVNGR-UHFFFAOYSA-N 1 2 277.327 2.474 20 30 CEEDLO C#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC000807883520 631882065 /nfs/dbraw/zinc/88/20/65/631882065.db2.gz BYISCHOVQSDVFC-GFCCVEGCSA-N 1 2 255.321 2.112 20 30 CEEDLO Cc1cc([N+](=O)[O-])ccc1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000807991002 631898960 /nfs/dbraw/zinc/89/89/60/631898960.db2.gz QHSIQKGJAYUAEN-CYBMUJFWSA-N 1 2 288.307 2.066 20 30 CEEDLO CCCC1N=NC(=S)N1N=Cc1cccc2[nH+]ccn21 ZINC000808009035 631906713 /nfs/dbraw/zinc/90/67/13/631906713.db2.gz ZCPRNTWHJQHKCN-UHFFFAOYSA-N 1 2 286.364 2.049 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)NCc2ccc(CC#N)cc2)c[nH+]1 ZINC000898078426 632048886 /nfs/dbraw/zinc/04/88/86/632048886.db2.gz FHUHRNKVMVUJRI-UHFFFAOYSA-N 1 2 296.374 2.309 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](C3CCC3)C2)c1=S ZINC000840189183 632162841 /nfs/dbraw/zinc/16/28/41/632162841.db2.gz OIWTTYJHIPDURF-LBPRGKRZSA-N 1 2 279.413 2.075 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C3CCC3)C2)c1=S ZINC000840189183 632162846 /nfs/dbraw/zinc/16/28/46/632162846.db2.gz OIWTTYJHIPDURF-LBPRGKRZSA-N 1 2 279.413 2.075 20 30 CEEDLO C[C@@H](C#N)COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810635345 632247752 /nfs/dbraw/zinc/24/77/52/632247752.db2.gz VDVSILWUMVMXMD-ZDUSSCGKSA-N 1 2 283.331 2.177 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cncc(C(C)C)c1 ZINC000888237156 632326052 /nfs/dbraw/zinc/32/60/52/632326052.db2.gz UCGHEJAIKXLLSE-HNNXBMFYSA-N 1 2 271.364 2.241 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cncc(C(C)C)c1 ZINC000888237156 632326055 /nfs/dbraw/zinc/32/60/55/632326055.db2.gz UCGHEJAIKXLLSE-HNNXBMFYSA-N 1 2 271.364 2.241 20 30 CEEDLO CN(C)c1cc(COC(=O)c2cc(O)cc(C#N)c2)cc[nH+]1 ZINC000811184932 632354151 /nfs/dbraw/zinc/35/41/51/632354151.db2.gz FJUASOLHDWTFGY-UHFFFAOYSA-N 1 2 297.314 2.082 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000811464470 632387606 /nfs/dbraw/zinc/38/76/06/632387606.db2.gz YWFDOVGJARIVDZ-UHFFFAOYSA-N 1 2 267.250 2.479 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccccn3)C2)n1 ZINC000811500445 632391170 /nfs/dbraw/zinc/39/11/70/632391170.db2.gz CMQGXNQVQUFHCY-NSHDSACASA-N 1 2 270.361 2.399 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@H](c3ccccn3)C2)n1 ZINC000811500445 632391174 /nfs/dbraw/zinc/39/11/74/632391174.db2.gz CMQGXNQVQUFHCY-NSHDSACASA-N 1 2 270.361 2.399 20 30 CEEDLO O=C1C[C@@H](CC/[NH+]=C/c2c(O)ccc3ccccc32)CN1 ZINC000899226687 632743404 /nfs/dbraw/zinc/74/34/04/632743404.db2.gz WWDTUSGEKHXNPW-MBNTZHJCSA-N 1 2 282.343 2.491 20 30 CEEDLO Nc1ccc(/C=C/C(=O)c2cnn(C3CCC3)c2)c[nH+]1 ZINC000899400409 632826316 /nfs/dbraw/zinc/82/63/16/632826316.db2.gz JWROWRDDZIZPCI-GQCTYLIASA-N 1 2 268.320 2.481 20 30 CEEDLO Cn1nncc1N[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000814983058 632947619 /nfs/dbraw/zinc/94/76/19/632947619.db2.gz ATSYQNJEWIGFCE-UHFFFAOYSA-N 1 2 284.367 2.251 20 30 CEEDLO C=C1C[NH+](C[C@H](O)COc2ccc(SC)cc2)C1 ZINC000899900714 633083934 /nfs/dbraw/zinc/08/39/34/633083934.db2.gz SBTLHQKELAHGIL-LBPRGKRZSA-N 1 2 265.378 2.020 20 30 CEEDLO N#CC1(CC(=O)OCc2cccc3[nH+]ccn32)CC1 ZINC000815988792 633094667 /nfs/dbraw/zinc/09/46/67/633094667.db2.gz WOHOORMPJDBOCQ-UHFFFAOYSA-N 1 2 255.277 2.071 20 30 CEEDLO Cn1ncc(C[NH+]2CCC(C)(C#N)CC2)c1Cl ZINC000816565928 633414110 /nfs/dbraw/zinc/41/41/10/633414110.db2.gz GMIQEMOLYIUGGD-UHFFFAOYSA-N 1 2 252.749 2.199 20 30 CEEDLO C#CC(C)(C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900703143 633813052 /nfs/dbraw/zinc/81/30/52/633813052.db2.gz JJFBLSCSTQZAKY-UHFFFAOYSA-N 1 2 296.374 2.137 20 30 CEEDLO C[C@H]1Cc2cc(C=NNc3[nH+]ccn3C)ccc2O1 ZINC000901235807 634000151 /nfs/dbraw/zinc/00/01/51/634000151.db2.gz KBYVOBPLZCJLGV-JTQLQIEISA-N 1 2 256.309 2.190 20 30 CEEDLO C=CCN1C(=O)/C(=C/c2c[nH+]cn2CC)SC1=S ZINC000901417182 634101452 /nfs/dbraw/zinc/10/14/52/634101452.db2.gz IEWPRZHIJWGSRU-POHAHGRESA-N 1 2 279.390 2.290 20 30 CEEDLO 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C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(C#N)c1O ZINC000866362813 647755995 /nfs/dbraw/zinc/75/59/95/647755995.db2.gz DTSFZVDSNVUISE-SECBINFHSA-N 1 2 283.335 2.110 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(C#N)c1O ZINC000866375793 647763087 /nfs/dbraw/zinc/76/30/87/647763087.db2.gz FNVDROFWYSOAHC-OUCADQQQSA-N 1 2 274.364 2.466 20 30 CEEDLO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866396527 647772525 /nfs/dbraw/zinc/77/25/25/647772525.db2.gz YATKETIBOXHSSZ-MFKMUULPSA-N 1 2 286.331 2.176 20 30 CEEDLO C#CCCCS(=O)(=O)N(CCCC)c1cc[nH+]cc1 ZINC000867628384 647934210 /nfs/dbraw/zinc/93/42/10/647934210.db2.gz ZFDNGURSRGPEMA-UHFFFAOYSA-N 1 2 280.393 2.431 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000867844059 647976146 /nfs/dbraw/zinc/97/61/46/647976146.db2.gz PHEZYYMZLHRFIS-ZDUSSCGKSA-N 1 2 298.390 2.210 20 30 CEEDLO NC(=[NH+]OCC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000786739984 648040293 /nfs/dbraw/zinc/04/02/93/648040293.db2.gz 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YXYIVMKCOGFWCJ-UHFFFAOYSA-N 1 2 276.311 2.036 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2cc(C)on2)cc1 ZINC000123380016 648945104 /nfs/dbraw/zinc/94/51/04/648945104.db2.gz VREREHRDJYKHEX-UHFFFAOYSA-N 1 2 275.308 2.023 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)c1cccc(O)c1F)[C@H]1CCCO1 ZINC000872064450 649259529 /nfs/dbraw/zinc/25/95/29/649259529.db2.gz YUAREOSDLZGSEE-SCDSUCTJSA-N 1 2 263.312 2.363 20 30 CEEDLO CC(C)ON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872381078 649374837 /nfs/dbraw/zinc/37/48/37/649374837.db2.gz WCLZRQSOOMTIRB-UHFFFAOYSA-N 1 2 292.379 2.157 20 30 CEEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(OC)(C(F)(F)F)CC1 ZINC000878716582 651172657 /nfs/dbraw/zinc/17/26/57/651172657.db2.gz JVAULAITVNCGMZ-SNVBAGLBSA-N 1 2 295.301 2.147 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000878770913 651182355 /nfs/dbraw/zinc/18/23/55/651182355.db2.gz XXUYYVFDYAUXHB-CHWSQXEVSA-N 1 2 267.369 2.138 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000878770913 651182359 /nfs/dbraw/zinc/18/23/59/651182359.db2.gz XXUYYVFDYAUXHB-CHWSQXEVSA-N 1 2 267.369 2.138 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC=C(Cl)C1 ZINC000878794035 651187090 /nfs/dbraw/zinc/18/70/90/651187090.db2.gz YWQAJROSFWUCLY-LBPRGKRZSA-N 1 2 268.788 2.404 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC=C(Cl)C1 ZINC000878794035 651187093 /nfs/dbraw/zinc/18/70/93/651187093.db2.gz YWQAJROSFWUCLY-LBPRGKRZSA-N 1 2 268.788 2.404 20 30 CEEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000878803633 651189004 /nfs/dbraw/zinc/18/90/04/651189004.db2.gz FJJZSOWWACQFOM-SECBINFHSA-N 1 2 295.276 2.471 20 30 CEEDLO Cc1c(O)ccc2c(C[NH2+][C@@H](C)CC#N)cc(=O)oc12 ZINC000878818970 651191952 /nfs/dbraw/zinc/19/19/52/651191952.db2.gz XBHANOPUUPQMIJ-VIFPVBQESA-N 1 2 272.304 2.199 20 30 CEEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(OC)c2)C1 ZINC000878844437 651196649 /nfs/dbraw/zinc/19/66/49/651196649.db2.gz ZNYDOSDITFWTER-XJKSGUPXSA-N 1 2 287.359 2.255 20 30 CEEDLO C#C[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(OC)c2)C1 ZINC000878844437 651196654 /nfs/dbraw/zinc/19/66/54/651196654.db2.gz ZNYDOSDITFWTER-XJKSGUPXSA-N 1 2 287.359 2.255 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880444898 651442806 /nfs/dbraw/zinc/44/28/06/651442806.db2.gz RIDOIXUPDTVADK-SNVBAGLBSA-N 1 2 266.291 2.252 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880444898 651442807 /nfs/dbraw/zinc/44/28/07/651442807.db2.gz RIDOIXUPDTVADK-SNVBAGLBSA-N 1 2 266.291 2.252 20 30 CEEDLO Cc1ccc(N2CC[NH+](Cc3ccco3)CC2)c(C#N)n1 ZINC000881777939 651882041 /nfs/dbraw/zinc/88/20/41/651882041.db2.gz UGTGEBLQUKGPPU-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO C#CC1(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCCC1 ZINC000882532011 652124286 /nfs/dbraw/zinc/12/42/86/652124286.db2.gz CJRDNLBVUFXHMJ-NSHDSACASA-N 1 2 299.296 2.439 20 30 CEEDLO C[C@H](C#N)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883602466 652511715 /nfs/dbraw/zinc/51/17/15/652511715.db2.gz TZLLXEODIIPQRG-HIFRSBDPSA-N 1 2 297.362 2.083 20 30 CEEDLO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000028774851 652555696 /nfs/dbraw/zinc/55/56/96/652555696.db2.gz YCWXKXTVWMXLOM-UHFFFAOYSA-N 1 2 271.276 2.432 20 30 CEEDLO C=CCC1(O)CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000884723437 652970313 /nfs/dbraw/zinc/97/03/13/652970313.db2.gz LSWHFGIBZSTDFI-UHFFFAOYSA-N 1 2 288.395 2.206 20 30 CEEDLO C=CCC1(O)CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000884723437 652970315 /nfs/dbraw/zinc/97/03/15/652970315.db2.gz LSWHFGIBZSTDFI-UHFFFAOYSA-N 1 2 288.395 2.206 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H]1C ZINC001088445436 806227899 /nfs/dbraw/zinc/22/78/99/806227899.db2.gz GEDXRJVFHIWEBK-ZJUUUORDSA-N 1 2 262.756 2.066 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H]1C ZINC001088445436 806227904 /nfs/dbraw/zinc/22/79/04/806227904.db2.gz GEDXRJVFHIWEBK-ZJUUUORDSA-N 1 2 262.756 2.066 20 30 CEEDLO C#CCCC[N@@H+](CC(=O)OCC)Cc1ccc(OC)cc1 ZINC001209265596 802492260 /nfs/dbraw/zinc/49/22/60/802492260.db2.gz AYANEFZEEWJKDF-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO C#CCCC[N@H+](CC(=O)OCC)Cc1ccc(OC)cc1 ZINC001209265596 802492264 /nfs/dbraw/zinc/49/22/64/802492264.db2.gz AYANEFZEEWJKDF-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO N#Cc1cc2nc(N3CCC(n4cc[nH+]c4)CC3)ccc2[nH]1 ZINC001167125772 802514655 /nfs/dbraw/zinc/51/46/55/802514655.db2.gz WUDIWQLMFMBSSU-UHFFFAOYSA-N 1 2 292.346 2.473 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001266480681 802625468 /nfs/dbraw/zinc/62/54/68/802625468.db2.gz WDDJLQIYNBKNDT-HOCLYGCPSA-N 1 2 291.395 2.358 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001266480681 802625475 /nfs/dbraw/zinc/62/54/75/802625475.db2.gz WDDJLQIYNBKNDT-HOCLYGCPSA-N 1 2 291.395 2.358 20 30 CEEDLO N#Cc1cc(NCc2cc[nH+]c(N)c2)ncc1Cl ZINC001167615229 803201693 /nfs/dbraw/zinc/20/16/93/803201693.db2.gz SKUSWWFRDMWDON-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO C#CCCCCC(=O)NCC[N@@H+](C)Cc1cc(C)ns1 ZINC001267192583 803215544 /nfs/dbraw/zinc/21/55/44/803215544.db2.gz QXMPDLJNNJCOGL-UHFFFAOYSA-N 1 2 293.436 2.193 20 30 CEEDLO C#CCCCCC(=O)NCC[N@H+](C)Cc1cc(C)ns1 ZINC001267192583 803215550 /nfs/dbraw/zinc/21/55/50/803215550.db2.gz QXMPDLJNNJCOGL-UHFFFAOYSA-N 1 2 293.436 2.193 20 30 CEEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC001267197520 803220540 /nfs/dbraw/zinc/22/05/40/803220540.db2.gz NXNCNJXOXIVPOA-UHFFFAOYSA-N 1 2 279.384 2.133 20 30 CEEDLO C=CC(C)(C)CC(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC001267197520 803220542 /nfs/dbraw/zinc/22/05/42/803220542.db2.gz NXNCNJXOXIVPOA-UHFFFAOYSA-N 1 2 279.384 2.133 20 30 CEEDLO CCN(C)c1cc(NCc2ccccc2C#N)[nH+]cn1 ZINC001167634025 803223460 /nfs/dbraw/zinc/22/34/60/803223460.db2.gz SKXHTBOAEBZPSP-UHFFFAOYSA-N 1 2 267.336 2.416 20 30 CEEDLO CCN(C)c1cc(NCc2ccccc2C#N)nc[nH+]1 ZINC001167634025 803223462 /nfs/dbraw/zinc/22/34/62/803223462.db2.gz SKXHTBOAEBZPSP-UHFFFAOYSA-N 1 2 267.336 2.416 20 30 CEEDLO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001267294999 803340781 /nfs/dbraw/zinc/34/07/81/803340781.db2.gz ORRUUUARTLYWTF-QWRGUYRKSA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001267294999 803340788 /nfs/dbraw/zinc/34/07/88/803340788.db2.gz ORRUUUARTLYWTF-QWRGUYRKSA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267294999 803340790 /nfs/dbraw/zinc/34/07/90/803340790.db2.gz ORRUUUARTLYWTF-QWRGUYRKSA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267294999 803340796 /nfs/dbraw/zinc/34/07/96/803340796.db2.gz ORRUUUARTLYWTF-QWRGUYRKSA-N 1 2 296.308 2.291 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000355548333 803381012 /nfs/dbraw/zinc/38/10/12/803381012.db2.gz RKAVBECITFUHNR-DOMZBBRYSA-N 1 2 274.368 2.066 20 30 CEEDLO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000693968350 803452267 /nfs/dbraw/zinc/45/22/67/803452267.db2.gz BCDHRSBECAUQNH-AWEZNQCLSA-N 1 2 255.321 2.173 20 30 CEEDLO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000693968350 803452270 /nfs/dbraw/zinc/45/22/70/803452270.db2.gz BCDHRSBECAUQNH-AWEZNQCLSA-N 1 2 255.321 2.173 20 30 CEEDLO C#CCCCC(=O)NC1C[NH+](CCCCC(F)(F)F)C1 ZINC001267643784 803638654 /nfs/dbraw/zinc/63/86/54/803638654.db2.gz WVATUDPQOHBAEO-UHFFFAOYSA-N 1 2 290.329 2.323 20 30 CEEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001267646335 803640169 /nfs/dbraw/zinc/64/01/69/803640169.db2.gz ALUYAORJFHRWRA-OAHLLOKOSA-N 1 2 292.423 2.126 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)C(C)C ZINC001267713654 803670667 /nfs/dbraw/zinc/67/06/67/803670667.db2.gz RTRKEFXDXCNWCU-JYJNAYRXSA-N 1 2 276.424 2.367 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)C(C)C ZINC001267713654 803670674 /nfs/dbraw/zinc/67/06/74/803670674.db2.gz RTRKEFXDXCNWCU-JYJNAYRXSA-N 1 2 276.424 2.367 20 30 CEEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cocn1)C2 ZINC001141130050 803733113 /nfs/dbraw/zinc/73/31/13/803733113.db2.gz SYSNRCDIJLUEFE-HUUCEWRRSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cocn1)C2 ZINC001141130050 803733116 /nfs/dbraw/zinc/73/31/16/803733116.db2.gz SYSNRCDIJLUEFE-HUUCEWRRSA-N 1 2 278.352 2.001 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)noc1C ZINC001027746644 804232789 /nfs/dbraw/zinc/23/27/89/804232789.db2.gz ZZMIBDTVSIUILF-LBPRGKRZSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)noc1C ZINC001027746644 804232799 /nfs/dbraw/zinc/23/27/99/804232799.db2.gz ZZMIBDTVSIUILF-LBPRGKRZSA-N 1 2 297.786 2.238 20 30 CEEDLO C=CCO[C@@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001118618897 815030704 /nfs/dbraw/zinc/03/07/04/815030704.db2.gz VRNSFFWOMZJAIG-CYBMUJFWSA-N 1 2 286.335 2.143 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001038397862 804888948 /nfs/dbraw/zinc/88/89/48/804888948.db2.gz LHFDIVNKAJEDNC-KURKYZTESA-N 1 2 296.414 2.394 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001038397862 804888954 /nfs/dbraw/zinc/88/89/54/804888954.db2.gz LHFDIVNKAJEDNC-KURKYZTESA-N 1 2 296.414 2.394 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001268705607 804935193 /nfs/dbraw/zinc/93/51/93/804935193.db2.gz JBCXLWXALDVSMX-WDEREUQCSA-N 1 2 294.399 2.136 20 30 CEEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC001269793861 805255991 /nfs/dbraw/zinc/25/59/91/805255991.db2.gz LNFTZJZCGACEFT-CABCVRRESA-N 1 2 294.439 2.158 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001038428196 805538777 /nfs/dbraw/zinc/53/87/77/805538777.db2.gz PYCVUYGJKIZVKM-CQSZACIVSA-N 1 2 295.386 2.222 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001038428196 805538796 /nfs/dbraw/zinc/53/87/96/805538796.db2.gz PYCVUYGJKIZVKM-CQSZACIVSA-N 1 2 295.386 2.222 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001030355596 807153143 /nfs/dbraw/zinc/15/31/43/807153143.db2.gz FXHHSUBUDQIQQP-CHWSQXEVSA-N 1 2 250.386 2.189 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001030424371 807183938 /nfs/dbraw/zinc/18/39/38/807183938.db2.gz OCPIWUWMWSIGHR-UHFFFAOYSA-N 1 2 274.364 2.149 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2C(F)F)C1 ZINC001030432408 807186447 /nfs/dbraw/zinc/18/64/47/807186447.db2.gz GOMHOHOPULRVLK-RYUDHWBXSA-N 1 2 272.339 2.044 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2coc3cc(F)ccc23)C1 ZINC001030583191 807240972 /nfs/dbraw/zinc/24/09/72/807240972.db2.gz FLRVEQQPDWRBJR-UHFFFAOYSA-N 1 2 286.306 2.009 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C)c3ccccc23)C1 ZINC001030625879 807263359 /nfs/dbraw/zinc/26/33/59/807263359.db2.gz IBHWBVOQBFVAJM-UHFFFAOYSA-N 1 2 283.375 2.168 20 30 CEEDLO COC(=O)[C@@H](C)c1ccc(NCCCCC#N)[nH+]c1 ZINC001168429562 807372032 /nfs/dbraw/zinc/37/20/32/807372032.db2.gz UTMQLENZGULUAP-NSHDSACASA-N 1 2 261.325 2.464 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001030781748 807375573 /nfs/dbraw/zinc/37/55/73/807375573.db2.gz ILXRVDKJBDAWKA-UHFFFAOYSA-N 1 2 290.794 2.394 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001030865616 807441812 /nfs/dbraw/zinc/44/18/12/807441812.db2.gz SPGDVKOAIXBVEJ-STQMWFEESA-N 1 2 250.386 2.189 20 30 CEEDLO C#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001089296254 807546849 /nfs/dbraw/zinc/54/68/49/807546849.db2.gz APVGALXPRZUANT-QWHCGFSZSA-N 1 2 288.395 2.284 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001031023436 807592601 /nfs/dbraw/zinc/59/26/01/807592601.db2.gz ZWLXOXHHKSNBIR-UHFFFAOYSA-N 1 2 296.374 2.067 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106531801 807766266 /nfs/dbraw/zinc/76/62/66/807766266.db2.gz PSYUSEZUCBHRQY-NSHDSACASA-N 1 2 276.384 2.304 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3ccccc3)CC2)C1 ZINC001031350485 807924933 /nfs/dbraw/zinc/92/49/33/807924933.db2.gz IOAOJRBHXQAPKZ-UHFFFAOYSA-N 1 2 270.376 2.095 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001031414897 807951093 /nfs/dbraw/zinc/95/10/93/807951093.db2.gz 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CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccccc1C ZINC001032661896 808781534 /nfs/dbraw/zinc/78/15/34/808781534.db2.gz CXLKZAYURMHFMX-ULQDDVLXSA-N 1 2 296.414 2.407 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccccc1C ZINC001032661896 808781536 /nfs/dbraw/zinc/78/15/36/808781536.db2.gz CXLKZAYURMHFMX-ULQDDVLXSA-N 1 2 296.414 2.407 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)o1 ZINC001032757746 808836323 /nfs/dbraw/zinc/83/63/23/808836323.db2.gz NZNBZHGYOGEQMI-UWVGGRQHSA-N 1 2 282.290 2.302 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)F)o1 ZINC001032757746 808836328 /nfs/dbraw/zinc/83/63/28/808836328.db2.gz NZNBZHGYOGEQMI-UWVGGRQHSA-N 1 2 282.290 2.302 20 30 CEEDLO C=CC(C)(C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001128251908 809001973 /nfs/dbraw/zinc/00/19/73/809001973.db2.gz ADOUFAMKCGQDNS-NSHDSACASA-N 1 2 294.399 2.001 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncccc2C)C1 ZINC001032973497 809132638 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C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085759511 810902701 /nfs/dbraw/zinc/90/27/01/810902701.db2.gz IYXKIJIYLDLCNY-NSHDSACASA-N 1 2 280.393 2.089 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085759511 810902706 /nfs/dbraw/zinc/90/27/06/810902706.db2.gz IYXKIJIYLDLCNY-NSHDSACASA-N 1 2 280.393 2.089 20 30 CEEDLO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085765563 810907532 /nfs/dbraw/zinc/90/75/32/810907532.db2.gz CUBDVFMJBRZWGT-XOKHGSTOSA-N 1 2 297.402 2.247 20 30 CEEDLO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085765563 810907537 /nfs/dbraw/zinc/90/75/37/810907537.db2.gz CUBDVFMJBRZWGT-XOKHGSTOSA-N 1 2 297.402 2.247 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001085860647 810947428 /nfs/dbraw/zinc/94/74/28/810947428.db2.gz FBTLMJRSGBMGPA-SWKXRBFHSA-N 1 2 288.435 2.369 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001085860647 810947434 /nfs/dbraw/zinc/94/74/34/810947434.db2.gz FBTLMJRSGBMGPA-SWKXRBFHSA-N 1 2 288.435 2.369 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC001038944305 810952594 /nfs/dbraw/zinc/95/25/94/810952594.db2.gz AETPWHNGKYLNCH-CYBMUJFWSA-N 1 2 296.292 2.143 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC001038944305 810952599 /nfs/dbraw/zinc/95/25/99/810952599.db2.gz AETPWHNGKYLNCH-CYBMUJFWSA-N 1 2 296.292 2.143 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001085913226 810963080 /nfs/dbraw/zinc/96/30/80/810963080.db2.gz WPVHFZCLVDUAQR-QGZVFWFLSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccncc2c1 ZINC001085913226 810963084 /nfs/dbraw/zinc/96/30/84/810963084.db2.gz WPVHFZCLVDUAQR-QGZVFWFLSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001039005731 810967931 /nfs/dbraw/zinc/96/79/31/810967931.db2.gz MPQAELDSVLNVJR-KRWDZBQOSA-N 1 2 284.403 2.322 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001039005731 810967934 /nfs/dbraw/zinc/96/79/34/810967934.db2.gz MPQAELDSVLNVJR-KRWDZBQOSA-N 1 2 284.403 2.322 20 30 CEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C)C1 ZINC001122440376 815411757 /nfs/dbraw/zinc/41/17/57/815411757.db2.gz BEKXLNBRDNDPOF-KGLIPLIRSA-N 1 2 289.427 2.467 20 30 CEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C)C1 ZINC001122440376 815411759 /nfs/dbraw/zinc/41/17/59/815411759.db2.gz BEKXLNBRDNDPOF-KGLIPLIRSA-N 1 2 289.427 2.467 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1Cl ZINC001085956696 810984056 /nfs/dbraw/zinc/98/40/56/810984056.db2.gz JBVVCGONZINKRW-GFCCVEGCSA-N 1 2 294.757 2.259 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1Cl ZINC001085956696 810984061 /nfs/dbraw/zinc/98/40/61/810984061.db2.gz JBVVCGONZINKRW-GFCCVEGCSA-N 1 2 294.757 2.259 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CCC)C1 ZINC001108309244 811221536 /nfs/dbraw/zinc/22/15/36/811221536.db2.gz QCCSBJSXIMHBAY-GDBMZVCRSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CCC)C1 ZINC001108309244 811221545 /nfs/dbraw/zinc/22/15/45/811221545.db2.gz QCCSBJSXIMHBAY-GDBMZVCRSA-N 1 2 282.428 2.206 20 30 CEEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCCC#N ZINC001172475836 815431381 /nfs/dbraw/zinc/43/13/81/815431381.db2.gz CTSMPHHBDGFWFH-UKRRQHHQSA-N 1 2 274.364 2.443 20 30 CEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCCC)C1 ZINC001108378980 811243021 /nfs/dbraw/zinc/24/30/21/811243021.db2.gz RAZSJZZLJPNZML-KRWDZBQOSA-N 1 2 294.439 2.187 20 30 CEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCCC)C1 ZINC001108378980 811243025 /nfs/dbraw/zinc/24/30/25/811243025.db2.gz RAZSJZZLJPNZML-KRWDZBQOSA-N 1 2 294.439 2.187 20 30 CEEDLO C[C@H]1C[C@H]([N@H+](C)CCC#N)CN1C(=O)OC(C)(C)C ZINC001168846752 811277332 /nfs/dbraw/zinc/27/73/32/811277332.db2.gz RDFFMBYGONFNBH-RYUDHWBXSA-N 1 2 267.373 2.230 20 30 CEEDLO C[C@H]1C[C@H]([N@@H+](C)CCC#N)CN1C(=O)OC(C)(C)C ZINC001168846752 811277338 /nfs/dbraw/zinc/27/73/38/811277338.db2.gz RDFFMBYGONFNBH-RYUDHWBXSA-N 1 2 267.373 2.230 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3ccc(C)nc32)C1 ZINC001043030776 811342720 /nfs/dbraw/zinc/34/27/20/811342720.db2.gz IYTPLEJCGWGMSR-UHFFFAOYSA-N 1 2 295.386 2.485 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001043493684 811376919 /nfs/dbraw/zinc/37/69/19/811376919.db2.gz COKZQRWENNGQBM-UHFFFAOYSA-N 1 2 276.355 2.466 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001043694632 811397813 /nfs/dbraw/zinc/39/78/13/811397813.db2.gz CYBBCDCFCBNCHK-GXTWGEPZSA-N 1 2 250.386 2.141 20 30 CEEDLO CC[C@@H]([NH2+]CCOc1ccccc1C#N)c1noc(C)n1 ZINC001169113192 811405957 /nfs/dbraw/zinc/40/59/57/811405957.db2.gz SIIKKFPLVDYODF-CYBMUJFWSA-N 1 2 286.335 2.369 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001043783575 811406096 /nfs/dbraw/zinc/40/60/96/811406096.db2.gz BLUDFFWCEWPUMD-GFCCVEGCSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001043777156 811406650 /nfs/dbraw/zinc/40/66/50/811406650.db2.gz FINWCQLBJJRMOZ-JSGCOSHPSA-N 1 2 250.386 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001043952680 811416495 /nfs/dbraw/zinc/41/64/95/811416495.db2.gz OWCPBLJISOORMG-UHFFFAOYSA-N 1 2 292.354 2.167 20 30 CEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CC(C)C ZINC001122827229 815446650 /nfs/dbraw/zinc/44/66/50/815446650.db2.gz SMZRFDGZUNHHGT-ZIAGYGMSSA-N 1 2 289.427 2.159 20 30 CEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1CC(C)C ZINC001122827229 815446652 /nfs/dbraw/zinc/44/66/52/815446652.db2.gz SMZRFDGZUNHHGT-ZIAGYGMSSA-N 1 2 289.427 2.159 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2csc(C)c2)C1 ZINC001044051601 811433043 /nfs/dbraw/zinc/43/30/43/811433043.db2.gz QHCOWPQZZCJMHQ-UHFFFAOYSA-N 1 2 264.394 2.389 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3c2ccn3C)C1 ZINC001044057725 811433815 /nfs/dbraw/zinc/43/38/15/811433815.db2.gz YROOBFFCSJFIJR-UHFFFAOYSA-N 1 2 283.375 2.121 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001044190096 811452367 /nfs/dbraw/zinc/45/23/67/811452367.db2.gz WWGLSRCPVXMIMP-UHFFFAOYSA-N 1 2 276.380 2.483 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001044328680 811469860 /nfs/dbraw/zinc/46/98/60/811469860.db2.gz LCLMSICDYKSNLH-AWEZNQCLSA-N 1 2 272.392 2.427 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001044351968 811474776 /nfs/dbraw/zinc/47/47/76/811474776.db2.gz PAWMFQFPKGSMOS-UHFFFAOYSA-N 1 2 276.424 2.369 20 30 CEEDLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+][C@H](C)CCCC#N ZINC001172490702 815451587 /nfs/dbraw/zinc/45/15/87/815451587.db2.gz KGCGMQPOXBHZNW-HIFRSBDPSA-N 1 2 289.379 2.146 20 30 CEEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)CCCC#N ZINC001172492841 815451770 /nfs/dbraw/zinc/45/17/70/815451770.db2.gz VABWKTKVVGIJKD-XJKSGUPXSA-N 1 2 299.374 2.314 20 30 CEEDLO N#CCc1ccc[nH+]c1NCc1ccc2c(c1)C(=O)NC2 ZINC001169762177 811659068 /nfs/dbraw/zinc/65/90/68/811659068.db2.gz CMBHMPQYFOEXQW-UHFFFAOYSA-N 1 2 278.315 2.003 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109184383 811834110 /nfs/dbraw/zinc/83/41/10/811834110.db2.gz YCXDCJPZSYRKBI-OLZOCXBDSA-N 1 2 290.411 2.328 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001112687708 812042797 /nfs/dbraw/zinc/04/27/97/812042797.db2.gz OPOQGVVCESCACH-UHFFFAOYSA-N 1 2 288.391 2.306 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096479652 812074062 /nfs/dbraw/zinc/07/40/62/812074062.db2.gz HBPHUIJKRJQMFK-CJNGLKHVSA-N 1 2 288.395 2.082 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096488245 812076112 /nfs/dbraw/zinc/07/61/12/812076112.db2.gz JWITXYOTTFYJMQ-CYBMUJFWSA-N 1 2 288.395 2.082 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001112837564 812084015 /nfs/dbraw/zinc/08/40/15/812084015.db2.gz MORMEESIMAJEHX-OAHLLOKOSA-N 1 2 282.428 2.158 20 30 CEEDLO N#Cc1ccc(CNc2cc3c(c[nH+]2)OCC(=O)N3)cc1F ZINC001170089085 812120305 /nfs/dbraw/zinc/12/03/05/812120305.db2.gz FYAVXFPHTQEZPS-UHFFFAOYSA-N 1 2 298.277 2.035 20 30 CEEDLO C#CCCCCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001112973517 812131691 /nfs/dbraw/zinc/13/16/91/812131691.db2.gz LHDHPPMQUNIQHL-QWHCGFSZSA-N 1 2 288.395 2.284 20 30 CEEDLO CC#CCCCC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC001113232149 812190059 /nfs/dbraw/zinc/19/00/59/812190059.db2.gz FQTJJWZQEVGBFL-UHFFFAOYSA-N 1 2 290.329 2.277 20 30 CEEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097242387 812346713 /nfs/dbraw/zinc/34/67/13/812346713.db2.gz XVUNZCAWTFTCOQ-WVWOOGAGSA-N 1 2 288.395 2.302 20 30 CEEDLO Cc1[nH+]cn(-c2ccc(NCC(C)(C)S)nn2)c1C ZINC001170305093 812379572 /nfs/dbraw/zinc/37/95/72/812379572.db2.gz LRCDPYHPDWRRCJ-UHFFFAOYSA-N 1 2 277.397 2.399 20 30 CEEDLO C#CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(NC)c2)C1 ZINC001123693765 815546770 /nfs/dbraw/zinc/54/67/70/815546770.db2.gz DKMSNJOAHUXSLI-ZDUSSCGKSA-N 1 2 286.379 2.068 20 30 CEEDLO CCOC(=O)C[C@@H]([NH2+][C@@H](CC)CC#N)c1cccnc1 ZINC001255154121 812712484 /nfs/dbraw/zinc/71/24/84/812712484.db2.gz CGJVHSSNCGZMIQ-UONOGXRCSA-N 1 2 275.352 2.358 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001255173012 812832675 /nfs/dbraw/zinc/83/26/75/812832675.db2.gz VVZDUUIWFGBFAE-KBPBESRZSA-N 1 2 263.385 2.156 20 30 CEEDLO CC[C@@H](CC#N)[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001255173012 812832687 /nfs/dbraw/zinc/83/26/87/812832687.db2.gz VVZDUUIWFGBFAE-KBPBESRZSA-N 1 2 263.385 2.156 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001051104063 812880307 /nfs/dbraw/zinc/88/03/07/812880307.db2.gz LQRCWXPUVKMMCW-CABCVRRESA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001051104063 812880315 /nfs/dbraw/zinc/88/03/15/812880315.db2.gz LQRCWXPUVKMMCW-CABCVRRESA-N 1 2 294.439 2.206 20 30 CEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccnc(C)c2)CC1 ZINC001137416464 813039444 /nfs/dbraw/zinc/03/94/44/813039444.db2.gz DQMIULCTEPWQHL-UHFFFAOYSA-N 1 2 287.363 2.059 20 30 CEEDLO C=CC[C@@](C)([NH2+][C@H]1CCc2ncsc2C1)C(=O)OC ZINC001173136547 815596387 /nfs/dbraw/zinc/59/63/87/815596387.db2.gz QVGVGAXFDZGFHD-IINYFYTJSA-N 1 2 280.393 2.098 20 30 CEEDLO C[C@H]1COCC[C@@H]1Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001170822509 813463266 /nfs/dbraw/zinc/46/32/66/813463266.db2.gz JWRUPPXRESEIMR-AAEUAGOBSA-N 1 2 257.337 2.474 20 30 CEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001072076428 813537558 /nfs/dbraw/zinc/53/75/58/813537558.db2.gz OVKSJECDHRQWHR-UWVGGRQHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001072076428 813537566 /nfs/dbraw/zinc/53/75/66/813537566.db2.gz OVKSJECDHRQWHR-UWVGGRQHSA-N 1 2 297.811 2.012 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001074141012 813807425 /nfs/dbraw/zinc/80/74/25/813807425.db2.gz PWQSLPCRJOBCHP-JKSUJKDBSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001074141012 813807432 /nfs/dbraw/zinc/80/74/32/813807432.db2.gz PWQSLPCRJOBCHP-JKSUJKDBSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001074174191 813813781 /nfs/dbraw/zinc/81/37/81/813813781.db2.gz MUWBOOCRZFYEOD-HZPDHXFCSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001074174191 813813788 /nfs/dbraw/zinc/81/37/88/813813788.db2.gz MUWBOOCRZFYEOD-HZPDHXFCSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001074310172 813822662 /nfs/dbraw/zinc/82/26/62/813822662.db2.gz QZQOQUWSGGXIDR-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001074310172 813822668 /nfs/dbraw/zinc/82/26/68/813822668.db2.gz QZQOQUWSGGXIDR-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001074331264 813827820 /nfs/dbraw/zinc/82/78/20/813827820.db2.gz FGBCSTYAMWVYED-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001074331264 813827826 /nfs/dbraw/zinc/82/78/26/813827826.db2.gz FGBCSTYAMWVYED-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100682891 814171493 /nfs/dbraw/zinc/17/14/93/814171493.db2.gz HDNDONLMAIWPFA-CYBMUJFWSA-N 1 2 290.411 2.330 20 30 CEEDLO C=CCC(C)(C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101979487 814350282 /nfs/dbraw/zinc/35/02/82/814350282.db2.gz WQWODGJWXNEEOO-UHFFFAOYSA-N 1 2 276.384 2.258 20 30 CEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001148181528 814533770 /nfs/dbraw/zinc/53/37/70/814533770.db2.gz PDECOSDVVBJVNE-UHFFFAOYSA-N 1 2 289.379 2.065 20 30 CEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001148181528 814533772 /nfs/dbraw/zinc/53/37/72/814533772.db2.gz PDECOSDVVBJVNE-UHFFFAOYSA-N 1 2 289.379 2.065 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1[nH]c2ccccc2c1C#N ZINC001148761292 814613898 /nfs/dbraw/zinc/61/38/98/814613898.db2.gz MFHVDAPLKLILJC-UHFFFAOYSA-N 1 2 279.303 2.001 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1cn(C)nc1Br ZINC000712408336 814743576 /nfs/dbraw/zinc/74/35/76/814743576.db2.gz YFZDGUFWJHEAQI-UHFFFAOYSA-N 1 2 264.554 2.025 20 30 CEEDLO C[C@@H](CC#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001125151887 815640486 /nfs/dbraw/zinc/64/04/86/815640486.db2.gz PYVROARTMXJEMX-NSHDSACASA-N 1 2 254.293 2.361 20 30 CEEDLO COC(=O)CCCC[C@H](C)[N@@H+]1CCCC[C@H]1C#N ZINC001173456438 815737088 /nfs/dbraw/zinc/73/70/88/815737088.db2.gz CIVYOPFYWQWBNI-STQMWFEESA-N 1 2 252.358 2.486 20 30 CEEDLO COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@H]1C#N ZINC001173456438 815737094 /nfs/dbraw/zinc/73/70/94/815737094.db2.gz CIVYOPFYWQWBNI-STQMWFEESA-N 1 2 252.358 2.486 20 30 CEEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](C#N)CC2)cn1 ZINC001138705910 815873910 /nfs/dbraw/zinc/87/39/10/815873910.db2.gz HCCFPZQGPSYTSP-LLVKDONJSA-N 1 2 262.382 2.324 20 30 CEEDLO CSc1ncc(C[N@H+]2CCC[C@@H](C#N)CC2)cn1 ZINC001138705910 815873915 /nfs/dbraw/zinc/87/39/15/815873915.db2.gz HCCFPZQGPSYTSP-LLVKDONJSA-N 1 2 262.382 2.324 20 30 CEEDLO N#Cc1c(Cl)cccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001139691984 816086165 /nfs/dbraw/zinc/08/61/65/816086165.db2.gz MECFUCCDENBYSE-LBPRGKRZSA-N 1 2 293.773 2.440 20 30 CEEDLO N#Cc1c(Cl)cccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001139691984 816086169 /nfs/dbraw/zinc/08/61/69/816086169.db2.gz MECFUCCDENBYSE-LBPRGKRZSA-N 1 2 293.773 2.440 20 30 CEEDLO N#Cc1cccc2c(C[N@@H+]3CCO[C@@H]4C[C@@H]43)c[nH]c21 ZINC001139707406 816092427 /nfs/dbraw/zinc/09/24/27/816092427.db2.gz ZPYJNBPEXYKSAY-UONOGXRCSA-N 1 2 253.305 2.013 20 30 CEEDLO N#Cc1cccc2c(C[N@H+]3CCO[C@@H]4C[C@@H]43)c[nH]c21 ZINC001139707406 816092435 /nfs/dbraw/zinc/09/24/35/816092435.db2.gz ZPYJNBPEXYKSAY-UONOGXRCSA-N 1 2 253.305 2.013 20 30 CEEDLO C=CCn1cc(C[NH+]2CCN(c3ccc(C)cn3)CC2)cn1 ZINC001139770697 816111632 /nfs/dbraw/zinc/11/16/32/816111632.db2.gz XLZJBEWAFHFJFA-UHFFFAOYSA-N 1 2 297.406 2.095 20 30 CEEDLO N#Cc1cnc(Nc2c[nH+]c(N)cc2C(F)(F)F)cn1 ZINC001175706969 816276344 /nfs/dbraw/zinc/27/63/44/816276344.db2.gz BUXBNTOTBZCUAA-UHFFFAOYSA-N 1 2 280.213 2.088 20 30 CEEDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(C#N)nc1 ZINC001140543433 816281601 /nfs/dbraw/zinc/28/16/01/816281601.db2.gz OMONHJWODBHGHZ-UHFFFAOYSA-N 1 2 299.330 2.112 20 30 CEEDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1ccc(C#N)nc1 ZINC001140543433 816281606 /nfs/dbraw/zinc/28/16/06/816281606.db2.gz OMONHJWODBHGHZ-UHFFFAOYSA-N 1 2 299.330 2.112 20 30 CEEDLO N#Cc1cccc(C[NH+]2CC3(CC(O)C3)C2)c1Cl ZINC001140806120 816367052 /nfs/dbraw/zinc/36/70/52/816367052.db2.gz BJLOQFGPQWEUDN-UHFFFAOYSA-N 1 2 262.740 2.168 20 30 CEEDLO CNc1nc(SC)ncc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140842240 816381808 /nfs/dbraw/zinc/38/18/08/816381808.db2.gz XKJRTCRSYWZHOQ-LLVKDONJSA-N 1 2 291.424 2.366 20 30 CEEDLO CNc1nc(SC)ncc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140842240 816381816 /nfs/dbraw/zinc/38/18/16/816381816.db2.gz XKJRTCRSYWZHOQ-LLVKDONJSA-N 1 2 291.424 2.366 20 30 CEEDLO CC[N@H+](CCC#N)Cc1c(O)cc(OC)cc1OC ZINC001141028499 816451001 /nfs/dbraw/zinc/45/10/01/816451001.db2.gz REOLJTXUFKJMON-UHFFFAOYSA-N 1 2 264.325 2.145 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1c(O)cc(OC)cc1OC ZINC001141028499 816451008 /nfs/dbraw/zinc/45/10/08/816451008.db2.gz REOLJTXUFKJMON-UHFFFAOYSA-N 1 2 264.325 2.145 20 30 CEEDLO N#Cc1c(N)sc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1Cl ZINC001141114149 816476254 /nfs/dbraw/zinc/47/62/54/816476254.db2.gz FVCZWETXMVZWFE-OCAPTIKFSA-N 1 2 295.795 2.266 20 30 CEEDLO N#Cc1c(N)sc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1Cl ZINC001141114149 816476260 /nfs/dbraw/zinc/47/62/60/816476260.db2.gz FVCZWETXMVZWFE-OCAPTIKFSA-N 1 2 295.795 2.266 20 30 CEEDLO C#CCN1CC[NH+](Cc2ccc(C(F)(F)F)nc2C)CC1 ZINC001141432690 816538621 /nfs/dbraw/zinc/53/86/21/816538621.db2.gz HVIVURDVKILGSQ-UHFFFAOYSA-N 1 2 297.324 2.160 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(C(F)(F)F)nc2C)CC1 ZINC001141432690 816538623 /nfs/dbraw/zinc/53/86/23/816538623.db2.gz HVIVURDVKILGSQ-UHFFFAOYSA-N 1 2 297.324 2.160 20 30 CEEDLO COc1cccc(NC(=O)CN(C)c2cccc[nH+]2)c1C#N ZINC001177413029 816559284 /nfs/dbraw/zinc/55/92/84/816559284.db2.gz KWRGDSVMRDZCSE-UHFFFAOYSA-N 1 2 296.330 2.037 20 30 CEEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CO ZINC001141897439 816597281 /nfs/dbraw/zinc/59/72/81/816597281.db2.gz RQVOJUVTQZMQJX-CYBMUJFWSA-N 1 2 295.180 2.277 20 30 CEEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CO ZINC001141897439 816597286 /nfs/dbraw/zinc/59/72/86/816597286.db2.gz RQVOJUVTQZMQJX-CYBMUJFWSA-N 1 2 295.180 2.277 20 30 CEEDLO C=CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1ccncc1 ZINC001177884219 816635821 /nfs/dbraw/zinc/63/58/21/816635821.db2.gz BRTGNGVLLBZBET-CQSZACIVSA-N 1 2 257.341 2.100 20 30 CEEDLO C#C[C@@H](C)NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142372356 816664476 /nfs/dbraw/zinc/66/44/76/816664476.db2.gz BQARDRXSIMFYMB-MYSGNRETSA-N 1 2 279.343 2.083 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](CO)C2)c1F ZINC001143163699 816795578 /nfs/dbraw/zinc/79/55/78/816795578.db2.gz KEHFUGSFGLDIKC-SNVBAGLBSA-N 1 2 266.291 2.041 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CO)C2)c1F ZINC001143163699 816795582 /nfs/dbraw/zinc/79/55/82/816795582.db2.gz KEHFUGSFGLDIKC-SNVBAGLBSA-N 1 2 266.291 2.041 20 30 CEEDLO Cn1c[nH+]c2c1CCN(Cc1c(F)ccc(C#N)c1F)C2 ZINC001143173643 816798830 /nfs/dbraw/zinc/79/88/30/816798830.db2.gz BFDLMJAWTZMFIJ-UHFFFAOYSA-N 1 2 288.301 2.128 20 30 CEEDLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173023 816799213 /nfs/dbraw/zinc/79/92/13/816799213.db2.gz LFZOYNADUOBXKM-KOLCDFICSA-N 1 2 266.291 2.182 20 30 CEEDLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173023 816799217 /nfs/dbraw/zinc/79/92/17/816799217.db2.gz LFZOYNADUOBXKM-KOLCDFICSA-N 1 2 266.291 2.182 20 30 CEEDLO COc1cc(Br)c(C[NH2+]CCC#N)cc1OC ZINC000034992739 361802945 /nfs/dbraw/zinc/80/29/45/361802945.db2.gz ZLFSXNIEXGSTLM-UHFFFAOYSA-N 1 2 299.168 2.470 20 30 CEEDLO Cc1ccc(Cn2ccc(C)c(C#N)c2=O)c(C)[nH+]1 ZINC000336539383 365618171 /nfs/dbraw/zinc/61/81/71/365618171.db2.gz BXWIBKQBXGSBQJ-UHFFFAOYSA-N 1 2 253.305 2.089 20 30 CEEDLO N#Cc1c(C[N@@H+]2CCO[C@@H](C3CC3)C2)cn2ccccc12 ZINC000336571685 365661004 /nfs/dbraw/zinc/66/10/04/365661004.db2.gz GBNYDJXFXKJZSA-QGZVFWFLSA-N 1 2 281.359 2.422 20 30 CEEDLO N#Cc1c(C[N@H+]2CCO[C@@H](C3CC3)C2)cn2ccccc12 ZINC000336571685 365661010 /nfs/dbraw/zinc/66/10/10/365661010.db2.gz GBNYDJXFXKJZSA-QGZVFWFLSA-N 1 2 281.359 2.422 20 30 CEEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000336585308 365679149 /nfs/dbraw/zinc/67/91/49/365679149.db2.gz XZJXWWKRNXUSHM-NSHDSACASA-N 1 2 291.782 2.264 20 30 CEEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000336585308 365679156 /nfs/dbraw/zinc/67/91/56/365679156.db2.gz XZJXWWKRNXUSHM-NSHDSACASA-N 1 2 291.782 2.264 20 30 CEEDLO N#CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000036897430 361868627 /nfs/dbraw/zinc/86/86/27/361868627.db2.gz RWKPBFXKWJXAHV-UHFFFAOYSA-N 1 2 297.152 2.224 20 30 CEEDLO Cc1nn2c(C[NH2+][C@@H]3CCC[C@@H]3C#N)c(C)nc2s1 ZINC000329825131 539253652 /nfs/dbraw/zinc/25/36/52/539253652.db2.gz IAGZZIFXIDKBOR-GHMZBOCLSA-N 1 2 275.381 2.190 20 30 CEEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000126275326 187229112 /nfs/dbraw/zinc/22/91/12/187229112.db2.gz XQKLMSDQVARLAU-SNVBAGLBSA-N 1 2 298.433 2.017 20 30 CEEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000126275326 187229113 /nfs/dbraw/zinc/22/91/13/187229113.db2.gz XQKLMSDQVARLAU-SNVBAGLBSA-N 1 2 298.433 2.017 20 30 CEEDLO Cc1nnc(NCCc2cn3ccccc3[nH+]2)c(C#N)c1C ZINC000024056020 343383438 /nfs/dbraw/zinc/38/34/38/343383438.db2.gz OPOTUXISJSZOEI-UHFFFAOYSA-N 1 2 292.346 2.267 20 30 CEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000029860550 343402091 /nfs/dbraw/zinc/40/20/91/343402091.db2.gz KOVZXCORLROWOK-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000041487875 343441889 /nfs/dbraw/zinc/44/18/89/343441889.db2.gz YDMIBXYGRCAOEP-CHWSQXEVSA-N 1 2 297.362 2.204 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000127674311 365757392 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ZINC000594420883 345624701 /nfs/dbraw/zinc/62/47/01/345624701.db2.gz BBEVMTJSZAJEQI-VXGBXAGGSA-N 1 2 282.347 2.337 20 30 CEEDLO CC(C)(C#N)c1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000594510174 345640775 /nfs/dbraw/zinc/64/07/75/345640775.db2.gz ALEICJNDBUTXDT-UHFFFAOYSA-N 1 2 296.378 2.099 20 30 CEEDLO CCC[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(=O)OCC ZINC000594711564 345676662 /nfs/dbraw/zinc/67/66/62/345676662.db2.gz QEAZFMNEMSDLFT-OAHLLOKOSA-N 1 2 274.364 2.422 20 30 CEEDLO N#CC1(C[NH2+][C@@H](C(N)=O)c2ccccc2)CCCCC1 ZINC000594717730 345678029 /nfs/dbraw/zinc/67/80/29/345678029.db2.gz OXEDGCWZTFEMMU-CQSZACIVSA-N 1 2 271.364 2.277 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C#N)c2)nn1 ZINC000594915243 345700219 /nfs/dbraw/zinc/70/02/19/345700219.db2.gz RBJRLGDSEGUDMH-UHFFFAOYSA-N 1 2 267.336 2.016 20 30 CEEDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)c2ncnn21 ZINC000594956542 345715724 /nfs/dbraw/zinc/71/57/24/345715724.db2.gz KAYSNDLYBZEQLQ-LDYMZIIASA-N 1 2 259.338 2.007 20 30 CEEDLO COc1nccnc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981723 345721482 /nfs/dbraw/zinc/72/14/82/345721482.db2.gz SZJLLJQJDIHBJL-UHFFFAOYSA-N 1 2 260.341 2.049 20 30 CEEDLO CCOC(=O)C(C)(C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595307912 345758924 /nfs/dbraw/zinc/75/89/24/345758924.db2.gz NHUPESNXLAUJDV-UHFFFAOYSA-N 1 2 260.337 2.032 20 30 CEEDLO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000595538224 345806238 /nfs/dbraw/zinc/80/62/38/345806238.db2.gz HNTIRDWORUTHBH-NWDGAFQWSA-N 1 2 297.362 2.413 20 30 CEEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000595332525 345763079 /nfs/dbraw/zinc/76/30/79/345763079.db2.gz QVRHYUIHIQPSQH-ZDUSSCGKSA-N 1 2 284.281 2.364 20 30 CEEDLO N#Cc1ccc(CC[N@H+]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000595332525 345763082 /nfs/dbraw/zinc/76/30/82/345763082.db2.gz QVRHYUIHIQPSQH-ZDUSSCGKSA-N 1 2 284.281 2.364 20 30 CEEDLO CC(C)(C)OC(=O)[C@@]1([NH2+]CCCC(C)(C)C#N)CCOC1 ZINC000595742383 345863817 /nfs/dbraw/zinc/86/38/17/345863817.db2.gz GSSFDCOYZJGZSP-MRXNPFEDSA-N 1 2 296.411 2.407 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cn2cc(C)ccc2[nH+]1)C(C)(C)C ZINC000288252954 539491671 /nfs/dbraw/zinc/49/16/71/539491671.db2.gz BUNGGNQLXYAIIQ-AWEZNQCLSA-N 1 2 298.390 2.490 20 30 CEEDLO C[C@@H](C#N)[N@H+](CCCOCC(F)(F)F)C1CC1 ZINC000595720470 345859705 /nfs/dbraw/zinc/85/97/05/345859705.db2.gz IFCQYWJJNGXNDE-VIFPVBQESA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H](C#N)[N@@H+](CCCOCC(F)(F)F)C1CC1 ZINC000595720470 345859706 /nfs/dbraw/zinc/85/97/06/345859706.db2.gz IFCQYWJJNGXNDE-VIFPVBQESA-N 1 2 250.264 2.332 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000595615188 345828180 /nfs/dbraw/zinc/82/81/80/345828180.db2.gz KLPLZBOYVPJJOB-LBPRGKRZSA-N 1 2 281.363 2.168 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000595615188 345828183 /nfs/dbraw/zinc/82/81/83/345828183.db2.gz KLPLZBOYVPJJOB-LBPRGKRZSA-N 1 2 281.363 2.168 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000595622669 345831200 /nfs/dbraw/zinc/83/12/00/345831200.db2.gz CLZGJQFAPKPCSC-CYBMUJFWSA-N 1 2 258.369 2.345 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000595622669 345831204 /nfs/dbraw/zinc/83/12/04/345831204.db2.gz CLZGJQFAPKPCSC-CYBMUJFWSA-N 1 2 258.369 2.345 20 30 CEEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629840 345832748 /nfs/dbraw/zinc/83/27/48/345832748.db2.gz NLRYIUFUUAFCNW-GFCCVEGCSA-N 1 2 299.403 2.293 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833319 345890639 /nfs/dbraw/zinc/89/06/39/345890639.db2.gz GMBUYGRHMPUOII-DZGCQCFKSA-N 1 2 263.385 2.035 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833319 345890641 /nfs/dbraw/zinc/89/06/41/345890641.db2.gz GMBUYGRHMPUOII-DZGCQCFKSA-N 1 2 263.385 2.035 20 30 CEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834680 345891133 /nfs/dbraw/zinc/89/11/33/345891133.db2.gz NHYOBLWLKNVFDZ-XJKSGUPXSA-N 1 2 271.364 2.273 20 30 CEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834680 345891137 /nfs/dbraw/zinc/89/11/37/345891137.db2.gz NHYOBLWLKNVFDZ-XJKSGUPXSA-N 1 2 271.364 2.273 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000595836064 345892337 /nfs/dbraw/zinc/89/23/37/345892337.db2.gz VHPZWRQTQGFPFE-ZMSDIMECSA-N 1 2 289.423 2.403 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000595836064 345892339 /nfs/dbraw/zinc/89/23/39/345892339.db2.gz VHPZWRQTQGFPFE-ZMSDIMECSA-N 1 2 289.423 2.403 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836423 345892763 /nfs/dbraw/zinc/89/27/63/345892763.db2.gz ZIOGNUUBJUJBBW-WMLDXEAASA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836423 345892768 /nfs/dbraw/zinc/89/27/68/345892768.db2.gz ZIOGNUUBJUJBBW-WMLDXEAASA-N 1 2 285.391 2.235 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887011 345905901 /nfs/dbraw/zinc/90/59/01/345905901.db2.gz QRIPYROYPZXWSF-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887011 345905903 /nfs/dbraw/zinc/90/59/03/345905903.db2.gz QRIPYROYPZXWSF-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H]1C[N@H+](CCCC#N)C[C@H](CC(F)(F)F)O1 ZINC000595889980 345907781 /nfs/dbraw/zinc/90/77/81/345907781.db2.gz KBDMNTQGGNPBMY-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H]1C[N@@H+](CCCC#N)C[C@H](CC(F)(F)F)O1 ZINC000595889980 345907783 /nfs/dbraw/zinc/90/77/83/345907783.db2.gz KBDMNTQGGNPBMY-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO N#CC[C@@]1(O)CCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000596288190 345991723 /nfs/dbraw/zinc/99/17/23/345991723.db2.gz DAUIFPKHBMWDMA-MRXNPFEDSA-N 1 2 295.346 2.075 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)CC#N ZINC000596793925 346090986 /nfs/dbraw/zinc/09/09/86/346090986.db2.gz RLFAZTHMPSTYHP-GFCCVEGCSA-N 1 2 284.363 2.401 20 30 CEEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC000597130605 346132606 /nfs/dbraw/zinc/13/26/06/346132606.db2.gz UNTBBXBKGLLTJB-CABCVRRESA-N 1 2 254.333 2.215 20 30 CEEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC000597130605 346132608 /nfs/dbraw/zinc/13/26/08/346132608.db2.gz UNTBBXBKGLLTJB-CABCVRRESA-N 1 2 254.333 2.215 20 30 CEEDLO N#CCC1C[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000597193003 346145772 /nfs/dbraw/zinc/14/57/72/346145772.db2.gz CFOMDXUXLAAFSW-UHFFFAOYSA-N 1 2 258.321 2.193 20 30 CEEDLO N#CC1(C[NH2+]Cc2cn3cccnc3n2)CCCCC1 ZINC000597215449 346151398 /nfs/dbraw/zinc/15/13/98/346151398.db2.gz BWALAHLHTOTQHX-UHFFFAOYSA-N 1 2 269.352 2.293 20 30 CEEDLO N#CC1(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000597539629 346199911 /nfs/dbraw/zinc/19/99/11/346199911.db2.gz XAKNTLJPGQXAMU-CYBMUJFWSA-N 1 2 286.379 2.178 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000597569267 346203027 /nfs/dbraw/zinc/20/30/27/346203027.db2.gz TZLWAULLMQLENN-YRGRVCCFSA-N 1 2 286.379 2.064 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000597755272 346226439 /nfs/dbraw/zinc/22/64/39/346226439.db2.gz PPJMTPJOBLUCII-GFCCVEGCSA-N 1 2 280.331 2.333 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000597755272 346226442 /nfs/dbraw/zinc/22/64/42/346226442.db2.gz PPJMTPJOBLUCII-GFCCVEGCSA-N 1 2 280.331 2.333 20 30 CEEDLO Cc1cccn2cc(CC(=O)N3CCC[C@H](CC#N)C3)[nH+]c12 ZINC000597911986 346251722 /nfs/dbraw/zinc/25/17/22/346251722.db2.gz SFHIQKOFQPMCCX-CQSZACIVSA-N 1 2 296.374 2.338 20 30 CEEDLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598586387 346377385 /nfs/dbraw/zinc/37/73/85/346377385.db2.gz SKTFYYFEQQPWNY-QWHCGFSZSA-N 1 2 292.383 2.206 20 30 CEEDLO Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598586387 346377388 /nfs/dbraw/zinc/37/73/88/346377388.db2.gz SKTFYYFEQQPWNY-QWHCGFSZSA-N 1 2 292.383 2.206 20 30 CEEDLO N#Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)s1 ZINC000351724553 219186663 /nfs/dbraw/zinc/18/66/63/219186663.db2.gz YXGXPEZZEITNNG-UHFFFAOYSA-N 1 2 282.328 2.197 20 30 CEEDLO Cn1ccnc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677585 346562096 /nfs/dbraw/zinc/56/20/96/346562096.db2.gz AABBDVMCTXZKFB-UHFFFAOYSA-N 1 2 266.348 2.044 20 30 CEEDLO Cn1ccnc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677585 346562099 /nfs/dbraw/zinc/56/20/99/346562099.db2.gz AABBDVMCTXZKFB-UHFFFAOYSA-N 1 2 266.348 2.044 20 30 CEEDLO Cn1cc[nH+]c1CN1CCc2c(CC#N)cccc2C1 ZINC000599677585 346562102 /nfs/dbraw/zinc/56/21/02/346562102.db2.gz AABBDVMCTXZKFB-UHFFFAOYSA-N 1 2 266.348 2.044 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1C#N ZINC000599634402 346549860 /nfs/dbraw/zinc/54/98/60/346549860.db2.gz JVQCBIVLWTWPTQ-HNNXBMFYSA-N 1 2 262.328 2.427 20 30 CEEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1C#N ZINC000599634402 346549863 /nfs/dbraw/zinc/54/98/63/346549863.db2.gz JVQCBIVLWTWPTQ-HNNXBMFYSA-N 1 2 262.328 2.427 20 30 CEEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000599702267 346571840 /nfs/dbraw/zinc/57/18/40/346571840.db2.gz KUOMDMFWIOSHQW-INIZCTEOSA-N 1 2 289.354 2.188 20 30 CEEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000599702267 346571843 /nfs/dbraw/zinc/57/18/43/346571843.db2.gz KUOMDMFWIOSHQW-INIZCTEOSA-N 1 2 289.354 2.188 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000129328805 365847666 /nfs/dbraw/zinc/84/76/66/365847666.db2.gz PZNNFJNCONMNHO-ZIAGYGMSSA-N 1 2 265.353 2.288 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000129328805 365847671 /nfs/dbraw/zinc/84/76/71/365847671.db2.gz PZNNFJNCONMNHO-ZIAGYGMSSA-N 1 2 265.353 2.288 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000356304285 370650131 /nfs/dbraw/zinc/65/01/31/370650131.db2.gz PFPHLGZALZKCEA-RYUDHWBXSA-N 1 2 263.366 2.158 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000356304285 370650138 /nfs/dbraw/zinc/65/01/38/370650138.db2.gz PFPHLGZALZKCEA-RYUDHWBXSA-N 1 2 263.366 2.158 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@@H](COC(F)F)C2)n1 ZINC000356317024 370655826 /nfs/dbraw/zinc/65/58/26/370655826.db2.gz JWFSSKIAZUFLGC-MRVPVSSYSA-N 1 2 273.308 2.076 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](COC(F)F)C2)n1 ZINC000356317024 370655830 /nfs/dbraw/zinc/65/58/30/370655830.db2.gz JWFSSKIAZUFLGC-MRVPVSSYSA-N 1 2 273.308 2.076 20 30 CEEDLO COC(=O)C[N@H+](CCc1ccccc1)CC1(CC#N)CC1 ZINC000602799662 347204325 /nfs/dbraw/zinc/20/43/25/347204325.db2.gz CIRNIJPLTJQLRY-UHFFFAOYSA-N 1 2 286.375 2.398 20 30 CEEDLO COC(=O)C[N@@H+](CCc1ccccc1)CC1(CC#N)CC1 ZINC000602799662 347204328 /nfs/dbraw/zinc/20/43/28/347204328.db2.gz CIRNIJPLTJQLRY-UHFFFAOYSA-N 1 2 286.375 2.398 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)C(=O)OC ZINC000602735311 347178424 /nfs/dbraw/zinc/17/84/24/347178424.db2.gz URWJHFKGYFJQPT-JSGCOSHPSA-N 1 2 292.379 2.119 20 30 CEEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000602758260 347186857 /nfs/dbraw/zinc/18/68/57/347186857.db2.gz FRMZKRYNTOORMJ-UHFFFAOYSA-N 1 2 283.375 2.138 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCCC1=CCCCC1 ZINC000602860559 347228062 /nfs/dbraw/zinc/22/80/62/347228062.db2.gz BZWBCXUIHSBBCR-QWHCGFSZSA-N 1 2 263.385 2.273 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000602860375 347228084 /nfs/dbraw/zinc/22/80/84/347228084.db2.gz BDVQUVGVKNDALC-QWRGUYRKSA-N 1 2 279.771 2.409 20 30 CEEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602859685 347228149 /nfs/dbraw/zinc/22/81/49/347228149.db2.gz ABCQCSDSBSFTHD-VXGBXAGGSA-N 1 2 259.353 2.468 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(F)cccc1F ZINC000602861730 347229230 /nfs/dbraw/zinc/22/92/30/347229230.db2.gz HZOKSKSJVQNFJZ-RKDXNWHRSA-N 1 2 267.279 2.184 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000602863290 347229900 /nfs/dbraw/zinc/22/99/00/347229900.db2.gz MLSVGPXPYSIGMA-QWRGUYRKSA-N 1 2 279.771 2.409 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000602862791 347230064 /nfs/dbraw/zinc/23/00/64/347230064.db2.gz KBFWDBDUDMIOND-BFHYXJOUSA-N 1 2 273.380 2.187 20 30 CEEDLO CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602862982 347230327 /nfs/dbraw/zinc/23/03/27/347230327.db2.gz LONFOAXHFLICIJ-CZUORRHYSA-N 1 2 273.380 2.392 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000602867488 347231308 /nfs/dbraw/zinc/23/13/08/347231308.db2.gz CPHGRQSJONDLJX-QMMMGPOBSA-N 1 2 269.707 2.309 20 30 CEEDLO N#Cc1ccc(C2CC[NH+](Cc3csnn3)CC2)nc1 ZINC000602908504 347244388 /nfs/dbraw/zinc/24/43/88/347244388.db2.gz UDOASKQYHMNSJK-UHFFFAOYSA-N 1 2 285.376 2.184 20 30 CEEDLO CCc1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602910934 347244663 /nfs/dbraw/zinc/24/46/63/347244663.db2.gz GQMXMWOTSZRLMJ-UHFFFAOYSA-N 1 2 297.362 2.278 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973887 347259888 /nfs/dbraw/zinc/25/98/88/347259888.db2.gz HDJFPORJZOHNMU-APIJFGDWSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973887 347259891 /nfs/dbraw/zinc/25/98/91/347259891.db2.gz HDJFPORJZOHNMU-APIJFGDWSA-N 1 2 277.412 2.305 20 30 CEEDLO C[N@H+](CC(=O)NCCCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602973940 347260483 /nfs/dbraw/zinc/26/04/83/347260483.db2.gz HYQBMLQPDATSDS-IAGOWNOFSA-N 1 2 299.418 2.359 20 30 CEEDLO C[N@@H+](CC(=O)NCCCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602973940 347260486 /nfs/dbraw/zinc/26/04/86/347260486.db2.gz HYQBMLQPDATSDS-IAGOWNOFSA-N 1 2 299.418 2.359 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602978567 347263028 /nfs/dbraw/zinc/26/30/28/347263028.db2.gz SKWHPGLJYMTOOY-CVEARBPZSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602978567 347263029 /nfs/dbraw/zinc/26/30/29/347263029.db2.gz SKWHPGLJYMTOOY-CVEARBPZSA-N 1 2 285.391 2.235 20 30 CEEDLO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000602981336 347264797 /nfs/dbraw/zinc/26/47/97/347264797.db2.gz BRBKVAHDRBOWQI-BMFZPTHFSA-N 1 2 285.391 2.488 20 30 CEEDLO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000602981336 347264799 /nfs/dbraw/zinc/26/47/99/347264799.db2.gz BRBKVAHDRBOWQI-BMFZPTHFSA-N 1 2 285.391 2.488 20 30 CEEDLO COCc1cc(C#N)ccc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000603273758 347326380 /nfs/dbraw/zinc/32/63/80/347326380.db2.gz HYSDAEYQTUSLHK-LBPRGKRZSA-N 1 2 270.336 2.402 20 30 CEEDLO N#CC1(Cc2cn(CCn3cc[nH+]c3)nn2)CCCCC1 ZINC000603242854 347320123 /nfs/dbraw/zinc/32/01/23/347320123.db2.gz YNQDPYHNAMKHHW-UHFFFAOYSA-N 1 2 284.367 2.191 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000603822028 347388908 /nfs/dbraw/zinc/38/89/08/347388908.db2.gz NWBMMQOOLSXZMY-GJZGRUSLSA-N 1 2 286.379 2.450 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000129896831 365903050 /nfs/dbraw/zinc/90/30/50/365903050.db2.gz KLTVJDZLWNGYFD-CYBMUJFWSA-N 1 2 290.363 2.209 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000129896831 365903053 /nfs/dbraw/zinc/90/30/53/365903053.db2.gz KLTVJDZLWNGYFD-CYBMUJFWSA-N 1 2 290.363 2.209 20 30 CEEDLO N#Cc1cccc(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610521215 347689009 /nfs/dbraw/zinc/68/90/09/347689009.db2.gz INSNRMMLHYKLCA-MRXNPFEDSA-N 1 2 294.358 2.161 20 30 CEEDLO N#CCCN(CC1CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610559347 347692292 /nfs/dbraw/zinc/69/22/92/347692292.db2.gz CUBXTFARSUWXMJ-UHFFFAOYSA-N 1 2 283.335 2.492 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1F ZINC000611372157 347770607 /nfs/dbraw/zinc/77/06/07/347770607.db2.gz SGVVJSZEGUSEJH-CABCVRRESA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1F ZINC000611372157 347770611 /nfs/dbraw/zinc/77/06/11/347770611.db2.gz SGVVJSZEGUSEJH-CABCVRRESA-N 1 2 290.338 2.077 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)CCCn1cc[nH+]c1 ZINC000610907329 347721927 /nfs/dbraw/zinc/72/19/27/347721927.db2.gz YAJGHTGMIHJHCR-UHFFFAOYSA-N 1 2 268.320 2.482 20 30 CEEDLO CN(CCO)c1ccc(NCc2ccc(C#N)s2)[nH+]c1 ZINC000610953264 347724781 /nfs/dbraw/zinc/72/47/81/347724781.db2.gz YHUQSYCPIHPKEF-UHFFFAOYSA-N 1 2 288.376 2.055 20 30 CEEDLO C[C@H](C#N)C[N@H+](C[C@H]1COc2ccccc2O1)C1CC1 ZINC000611091228 347738956 /nfs/dbraw/zinc/73/89/56/347738956.db2.gz FHXINFKRHOIPMK-OCCSQVGLSA-N 1 2 272.348 2.450 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C[C@H]1COc2ccccc2O1)C1CC1 ZINC000611091228 347738958 /nfs/dbraw/zinc/73/89/58/347738958.db2.gz FHXINFKRHOIPMK-OCCSQVGLSA-N 1 2 272.348 2.450 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501647 347785928 /nfs/dbraw/zinc/78/59/28/347785928.db2.gz GEDRZCPMBQLZAF-MGPQQGTHSA-N 1 2 295.402 2.397 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501647 347785930 /nfs/dbraw/zinc/78/59/30/347785930.db2.gz GEDRZCPMBQLZAF-MGPQQGTHSA-N 1 2 295.402 2.397 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000612162496 347851270 /nfs/dbraw/zinc/85/12/70/347851270.db2.gz NIGXDNHCNSZPPN-KRWDZBQOSA-N 1 2 296.374 2.022 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000612162496 347851273 /nfs/dbraw/zinc/85/12/73/347851273.db2.gz NIGXDNHCNSZPPN-KRWDZBQOSA-N 1 2 296.374 2.022 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612166260 347852798 /nfs/dbraw/zinc/85/27/98/347852798.db2.gz RKQNJYQOENGGPZ-SUMWQHHRSA-N 1 2 289.423 2.402 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612166260 347852802 /nfs/dbraw/zinc/85/28/02/347852802.db2.gz RKQNJYQOENGGPZ-SUMWQHHRSA-N 1 2 289.423 2.402 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167962 347853645 /nfs/dbraw/zinc/85/36/45/347853645.db2.gz ZYNCTXDDRKZBAW-RHSMWYFYSA-N 1 2 285.391 2.317 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167962 347853648 /nfs/dbraw/zinc/85/36/48/347853648.db2.gz ZYNCTXDDRKZBAW-RHSMWYFYSA-N 1 2 285.391 2.317 20 30 CEEDLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000612048980 347837531 /nfs/dbraw/zinc/83/75/31/347837531.db2.gz NLKMNYSVTRPBED-WDEREUQCSA-N 1 2 286.335 2.499 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000612346727 347872391 /nfs/dbraw/zinc/87/23/91/347872391.db2.gz WRECQLRVGCFJJI-UHFFFAOYSA-N 1 2 266.304 2.272 20 30 CEEDLO CCC#C[C@@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612469117 347890838 /nfs/dbraw/zinc/89/08/38/347890838.db2.gz VTUYGHPSOIILGU-LLVKDONJSA-N 1 2 259.309 2.150 20 30 CEEDLO CCC#C[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612469117 347890841 /nfs/dbraw/zinc/89/08/41/347890841.db2.gz VTUYGHPSOIILGU-LLVKDONJSA-N 1 2 259.309 2.150 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000130403941 365952588 /nfs/dbraw/zinc/95/25/88/365952588.db2.gz WEJQWCPNPDOZKO-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000130403941 365952596 /nfs/dbraw/zinc/95/25/96/365952596.db2.gz WEJQWCPNPDOZKO-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)C[C@@H](C)C#N ZINC000066424889 362865121 /nfs/dbraw/zinc/86/51/21/362865121.db2.gz QTFVNHITXIWFPK-ZDUSSCGKSA-N 1 2 265.401 2.115 20 30 CEEDLO CC[N@H+](CC(=O)N(CC(C)C)C1CC1)C[C@@H](C)C#N ZINC000066424889 362865128 /nfs/dbraw/zinc/86/51/28/362865128.db2.gz QTFVNHITXIWFPK-ZDUSSCGKSA-N 1 2 265.401 2.115 20 30 CEEDLO C=CCCOCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623306765 349983436 /nfs/dbraw/zinc/98/34/36/349983436.db2.gz TXPPZSOMFSRBFJ-CQSZACIVSA-N 1 2 291.395 2.077 20 30 CEEDLO N#C[C@]1(F)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000615583619 348352941 /nfs/dbraw/zinc/35/29/41/348352941.db2.gz VJBJAYZWTNGRNN-MRXNPFEDSA-N 1 2 298.321 2.009 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000617778396 348788532 /nfs/dbraw/zinc/78/85/32/348788532.db2.gz FPMKNTYTVAYBOZ-KGLIPLIRSA-N 1 2 273.380 2.260 20 30 CEEDLO C=CCCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000617618109 348751646 /nfs/dbraw/zinc/75/16/46/348751646.db2.gz CVNLSCSYSAGPIR-UHFFFAOYSA-N 1 2 279.290 2.315 20 30 CEEDLO CC1(C)CCCN(C(=O)CCCn2cc[nH+]c2)[C@@H]1C#N ZINC000617985324 348844561 /nfs/dbraw/zinc/84/45/61/348844561.db2.gz ZUGWQVHRMVLUDX-CYBMUJFWSA-N 1 2 274.368 2.204 20 30 CEEDLO C=C[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OC ZINC000619703540 349223841 /nfs/dbraw/zinc/22/38/41/349223841.db2.gz MWGBMRVSJDFNNW-IUCAKERBSA-N 1 2 253.264 2.425 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000619716588 349226552 /nfs/dbraw/zinc/22/65/52/349226552.db2.gz WIULBPGIOJRPPP-CQSZACIVSA-N 1 2 281.327 2.254 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000619716588 349226554 /nfs/dbraw/zinc/22/65/54/349226554.db2.gz WIULBPGIOJRPPP-CQSZACIVSA-N 1 2 281.327 2.254 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000619717812 349227064 /nfs/dbraw/zinc/22/70/64/349227064.db2.gz MGHFTLKBHPYGFK-BXUZGUMPSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000619717812 349227066 /nfs/dbraw/zinc/22/70/66/349227066.db2.gz MGHFTLKBHPYGFK-BXUZGUMPSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000619719654 349228120 /nfs/dbraw/zinc/22/81/20/349228120.db2.gz RUVNUPWKCCGFRM-GJZGRUSLSA-N 1 2 274.364 2.291 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000619719654 349228123 /nfs/dbraw/zinc/22/81/23/349228123.db2.gz RUVNUPWKCCGFRM-GJZGRUSLSA-N 1 2 274.364 2.291 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000619785800 349236913 /nfs/dbraw/zinc/23/69/13/349236913.db2.gz SQWQOQFOEFYPJD-ZDUSSCGKSA-N 1 2 261.321 2.486 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000619785800 349236916 /nfs/dbraw/zinc/23/69/16/349236916.db2.gz SQWQOQFOEFYPJD-ZDUSSCGKSA-N 1 2 261.321 2.486 20 30 CEEDLO C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407468 350011233 /nfs/dbraw/zinc/01/12/33/350011233.db2.gz GYIHVYWXMPUICY-INIZCTEOSA-N 1 2 279.472 2.489 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614965 180013633 /nfs/dbraw/zinc/01/36/33/180013633.db2.gz RHWJFPICPXWUER-LLVKDONJSA-N 1 2 278.783 2.389 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614965 180013636 /nfs/dbraw/zinc/01/36/36/180013636.db2.gz RHWJFPICPXWUER-LLVKDONJSA-N 1 2 278.783 2.389 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069066066 362954826 /nfs/dbraw/zinc/95/48/26/362954826.db2.gz RNMAQLNBQJADPS-STQMWFEESA-N 1 2 277.368 2.281 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069066066 362954828 /nfs/dbraw/zinc/95/48/28/362954828.db2.gz RNMAQLNBQJADPS-STQMWFEESA-N 1 2 277.368 2.281 20 30 CEEDLO C=CC[N@@H+](Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361469 180368024 /nfs/dbraw/zinc/36/80/24/180368024.db2.gz FEKZORSXTNYIDH-GFCCVEGCSA-N 1 2 285.434 2.232 20 30 CEEDLO C=CC[N@H+](Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361469 180368026 /nfs/dbraw/zinc/36/80/26/180368026.db2.gz FEKZORSXTNYIDH-GFCCVEGCSA-N 1 2 285.434 2.232 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)COc1ccc(C#N)cc1 ZINC000107038753 186155846 /nfs/dbraw/zinc/15/58/46/186155846.db2.gz USKBDUSXQFGJBI-UHFFFAOYSA-N 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367646165 /nfs/dbraw/zinc/64/61/65/367646165.db2.gz BFXXZXWFTYJQJL-LBPRGKRZSA-N 1 2 253.390 2.163 20 30 CEEDLO Cc1cccc(CCNc2nccc(C#N)c2Cl)[nH+]1 ZINC000343103096 367669613 /nfs/dbraw/zinc/66/96/13/367669613.db2.gz OEUMYJYPZKXTRA-UHFFFAOYSA-N 1 2 272.739 2.387 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000180366024 368378192 /nfs/dbraw/zinc/37/81/92/368378192.db2.gz OLUOKNZSQZMBBY-AWEZNQCLSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000633965355 368475601 /nfs/dbraw/zinc/47/56/01/368475601.db2.gz PXWHKBOOOUVSSX-UHFFFAOYSA-N 1 2 282.428 2.206 20 30 CEEDLO CC(C)(C#N)CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000349779825 369398313 /nfs/dbraw/zinc/39/83/13/369398313.db2.gz DJNJWRCKTBLJTC-UHFFFAOYSA-N 1 2 296.374 2.487 20 30 CEEDLO CC(C)(C#N)Cc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000349929706 369454612 /nfs/dbraw/zinc/45/46/12/369454612.db2.gz IKTOVGJKNPAWGV-UHFFFAOYSA-N 1 2 281.319 2.400 20 30 CEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H](O)C(F)(F)F 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279.409 2.164 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ncnn1C ZINC000353336300 220034558 /nfs/dbraw/zinc/03/45/58/220034558.db2.gz NVYJSBRVFHINOY-UWVGGRQHSA-N 1 2 273.315 2.238 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc(CC)c2)nn1 ZINC000640835000 372162303 /nfs/dbraw/zinc/16/23/03/372162303.db2.gz WGQOYFYIQOSRRV-UHFFFAOYSA-N 1 2 298.390 2.032 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(F)cc2)nn1 ZINC000640848054 372165059 /nfs/dbraw/zinc/16/50/59/372165059.db2.gz QGHWDJLZJQICCS-LBPRGKRZSA-N 1 2 272.327 2.139 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000362046145 372186056 /nfs/dbraw/zinc/18/60/56/372186056.db2.gz GJFXWLUIPZBSLG-GFCCVEGCSA-N 1 2 287.363 2.269 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000362046145 372186061 /nfs/dbraw/zinc/18/60/61/372186061.db2.gz GJFXWLUIPZBSLG-GFCCVEGCSA-N 1 2 287.363 2.269 20 30 CEEDLO N#CCC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365867514 372949716 /nfs/dbraw/zinc/94/97/16/372949716.db2.gz 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ZINC000374038482 374472389 /nfs/dbraw/zinc/47/23/89/374472389.db2.gz AYJKXRXCTGBUCQ-FZMZJTMJSA-N 1 2 262.328 2.263 20 30 CEEDLO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000377497630 374868564 /nfs/dbraw/zinc/86/85/64/374868564.db2.gz UXAKEMMNOFRFSK-CQSZACIVSA-N 1 2 284.319 2.157 20 30 CEEDLO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000377497630 374868570 /nfs/dbraw/zinc/86/85/70/374868570.db2.gz UXAKEMMNOFRFSK-CQSZACIVSA-N 1 2 284.319 2.157 20 30 CEEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000574584104 335032075 /nfs/dbraw/zinc/03/20/75/335032075.db2.gz BONAGESXDSWDEB-MRXNPFEDSA-N 1 2 288.391 2.061 20 30 CEEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000574584104 335032076 /nfs/dbraw/zinc/03/20/76/335032076.db2.gz BONAGESXDSWDEB-MRXNPFEDSA-N 1 2 288.391 2.061 20 30 CEEDLO C#C[C@@H](CC)[NH2+]Cc1ncc(Br)s1 ZINC000379378662 375151181 /nfs/dbraw/zinc/15/11/81/375151181.db2.gz ANQGYPWHSKKZCZ-ZETCQYMHSA-N 1 2 259.172 2.407 20 30 CEEDLO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]cn3)CC2)cc1 ZINC000280549021 375242010 /nfs/dbraw/zinc/24/20/10/375242010.db2.gz UESNMZQEYZCAKP-UHFFFAOYSA-N 1 2 282.347 2.325 20 30 CEEDLO N#Cc1ccc(OC2CC[NH+](Cc3cnc[nH]3)CC2)cc1 ZINC000280549021 375242016 /nfs/dbraw/zinc/24/20/16/375242016.db2.gz UESNMZQEYZCAKP-UHFFFAOYSA-N 1 2 282.347 2.325 20 30 CEEDLO Cc1noc(C(C)(C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000284077611 375805513 /nfs/dbraw/zinc/80/55/13/375805513.db2.gz QVCUFEOWLXBNSD-UHFFFAOYSA-N 1 2 256.309 2.275 20 30 CEEDLO N#Cc1c(NC(=O)CCn2cc[nH+]c2)sc2c1CCC2 ZINC000264676537 190128209 /nfs/dbraw/zinc/12/82/09/190128209.db2.gz YFCCVJQXBWLNNU-UHFFFAOYSA-N 1 2 286.360 2.334 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000328809916 376901704 /nfs/dbraw/zinc/90/17/04/376901704.db2.gz DZJCMKWFQGXVEK-GFCCVEGCSA-N 1 2 265.357 2.267 20 30 CEEDLO [O-]C(=[NH+]CC1CCC(F)(F)CC1)N1CCn2cc[nH+]c2C1 ZINC000328811853 376902151 /nfs/dbraw/zinc/90/21/51/376902151.db2.gz ORXWZFMTUQTWQK-UHFFFAOYSA-N 1 2 298.337 2.438 20 30 CEEDLO CC(=O)Nc1ccn([C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000328613471 376860313 /nfs/dbraw/zinc/86/03/13/376860313.db2.gz SBRSOLZPGCLFOJ-LBPRGKRZSA-N 1 2 271.324 2.337 20 30 CEEDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328747489 376891536 /nfs/dbraw/zinc/89/15/36/376891536.db2.gz PCKTUYLTNZZODC-MLPRRRGUSA-N 1 2 296.411 2.010 20 30 CEEDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328747489 376891544 /nfs/dbraw/zinc/89/15/44/376891544.db2.gz PCKTUYLTNZZODC-MLPRRRGUSA-N 1 2 296.411 2.010 20 30 CEEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC(=O)c2cccn21 ZINC000329622952 376975900 /nfs/dbraw/zinc/97/59/00/376975900.db2.gz RZPPLQULJYKRCA-IINYFYTJSA-N 1 2 298.346 2.243 20 30 CEEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC(=O)c2cccn21 ZINC000329622952 376975905 /nfs/dbraw/zinc/97/59/05/376975905.db2.gz RZPPLQULJYKRCA-IINYFYTJSA-N 1 2 298.346 2.243 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)cc1OC ZINC000562605720 376942600 /nfs/dbraw/zinc/94/26/00/376942600.db2.gz QDXVPFUZRPUERN-UHFFFAOYSA-N 1 2 299.334 2.105 20 30 CEEDLO C=CCCCS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000292481285 377249316 /nfs/dbraw/zinc/24/93/16/377249316.db2.gz FMZMZWQKCFDKKM-UONOGXRCSA-N 1 2 297.424 2.062 20 30 CEEDLO C=CCC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCOCC1 ZINC000424677139 377282529 /nfs/dbraw/zinc/28/25/29/377282529.db2.gz GXKKYMDQKRFPOO-CQSZACIVSA-N 1 2 291.395 2.008 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000331121035 377289128 /nfs/dbraw/zinc/28/91/28/377289128.db2.gz ONBFROGNMQXLHJ-GWCFXTLKSA-N 1 2 278.377 2.393 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000331121035 377289135 /nfs/dbraw/zinc/28/91/35/377289135.db2.gz ONBFROGNMQXLHJ-GWCFXTLKSA-N 1 2 278.377 2.393 20 30 CEEDLO C=CCC[N@@H+](C)Cc1nn(C)cc1Br ZINC000292828431 377303267 /nfs/dbraw/zinc/30/32/67/377303267.db2.gz DJWOBUQOCGMFQF-UHFFFAOYSA-N 1 2 258.163 2.191 20 30 CEEDLO C=CCC[N@H+](C)Cc1nn(C)cc1Br ZINC000292828431 377303273 /nfs/dbraw/zinc/30/32/73/377303273.db2.gz DJWOBUQOCGMFQF-UHFFFAOYSA-N 1 2 258.163 2.191 20 30 CEEDLO CCC(=O)N1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000425521055 377360983 /nfs/dbraw/zinc/36/09/83/377360983.db2.gz SGDNDRPPKCWBJL-UHFFFAOYSA-N 1 2 285.391 2.499 20 30 CEEDLO CCC(=O)N1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000425521055 377360988 /nfs/dbraw/zinc/36/09/88/377360988.db2.gz SGDNDRPPKCWBJL-UHFFFAOYSA-N 1 2 285.391 2.499 20 30 CEEDLO C[C@@H](c1cnccn1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331537270 377464143 /nfs/dbraw/zinc/46/41/43/377464143.db2.gz LPVHQWDGZSUMFO-GUYCJALGSA-N 1 2 294.358 2.483 20 30 CEEDLO C[C@@H](c1cnccn1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331537270 377464149 /nfs/dbraw/zinc/46/41/49/377464149.db2.gz LPVHQWDGZSUMFO-GUYCJALGSA-N 1 2 294.358 2.483 20 30 CEEDLO CCOC(=O)C1([N@H+](C)CC2(C#N)CC2)CCCCC1 ZINC000332024957 377497819 /nfs/dbraw/zinc/49/78/19/377497819.db2.gz WFSYCXOTQLNQFO-UHFFFAOYSA-N 1 2 264.369 2.488 20 30 CEEDLO CCOC(=O)C1([N@@H+](C)CC2(C#N)CC2)CCCCC1 ZINC000332024957 377497826 /nfs/dbraw/zinc/49/78/26/377497826.db2.gz WFSYCXOTQLNQFO-UHFFFAOYSA-N 1 2 264.369 2.488 20 30 CEEDLO C=C(Cl)CNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000265487754 190185724 /nfs/dbraw/zinc/18/57/24/190185724.db2.gz FMIVMESDTVOHDD-UHFFFAOYSA-N 1 2 277.755 2.467 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000565178643 377592338 /nfs/dbraw/zinc/59/23/38/377592338.db2.gz RALUHNWWTOXZEK-LBPRGKRZSA-N 1 2 282.347 2.119 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000565178643 377592348 /nfs/dbraw/zinc/59/23/48/377592348.db2.gz RALUHNWWTOXZEK-LBPRGKRZSA-N 1 2 282.347 2.119 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000565927532 377705308 /nfs/dbraw/zinc/70/53/08/377705308.db2.gz SGQIEBMCGMSUEI-VIFSAKLVSA-N 1 2 289.423 2.019 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000432278848 377738078 /nfs/dbraw/zinc/73/80/78/377738078.db2.gz ANEIRLBYLSAWPP-LLVKDONJSA-N 1 2 283.335 2.273 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000432278849 377738187 /nfs/dbraw/zinc/73/81/87/377738187.db2.gz ANEIRLBYLSAWPP-NSHDSACASA-N 1 2 283.335 2.273 20 30 CEEDLO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CC(C)(C)C#N ZINC000433295422 377783704 /nfs/dbraw/zinc/78/37/04/377783704.db2.gz DKUGRYCDYNDSNQ-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433295422 377783711 /nfs/dbraw/zinc/78/37/11/377783711.db2.gz DKUGRYCDYNDSNQ-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO O=C1NCC[C@]12CCC[N@H+]2CC#Cc1ccccc1Cl ZINC000566426841 377760719 /nfs/dbraw/zinc/76/07/19/377760719.db2.gz YOSGMCMWIJXVHT-MRXNPFEDSA-N 1 2 288.778 2.046 20 30 CEEDLO O=C1NCC[C@]12CCC[N@@H+]2CC#Cc1ccccc1Cl ZINC000566426841 377760727 /nfs/dbraw/zinc/76/07/27/377760727.db2.gz YOSGMCMWIJXVHT-MRXNPFEDSA-N 1 2 288.778 2.046 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433293217 377784743 /nfs/dbraw/zinc/78/47/43/377784743.db2.gz CMLLPXAORXOQIL-LLVKDONJSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433293217 377784752 /nfs/dbraw/zinc/78/47/52/377784752.db2.gz CMLLPXAORXOQIL-LLVKDONJSA-N 1 2 253.390 2.161 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)CC(C)(C)C#N ZINC000433283903 377784908 /nfs/dbraw/zinc/78/49/08/377784908.db2.gz DMEBQWZYHYBHIZ-CYBMUJFWSA-N 1 2 285.391 2.446 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CC(C)(C)C#N ZINC000433283903 377784914 /nfs/dbraw/zinc/78/49/14/377784914.db2.gz DMEBQWZYHYBHIZ-CYBMUJFWSA-N 1 2 285.391 2.446 20 30 CEEDLO Cn1cc(-c2cc(C[N@H+](C)CC(C)(C)C#N)on2)cn1 ZINC000433302033 377785318 /nfs/dbraw/zinc/78/53/18/377785318.db2.gz WWYCXCJPSDFODQ-UHFFFAOYSA-N 1 2 273.340 2.057 20 30 CEEDLO Cn1cc(-c2cc(C[N@@H+](C)CC(C)(C)C#N)on2)cn1 ZINC000433302033 377785323 /nfs/dbraw/zinc/78/53/23/377785323.db2.gz WWYCXCJPSDFODQ-UHFFFAOYSA-N 1 2 273.340 2.057 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433313049 377787128 /nfs/dbraw/zinc/78/71/28/377787128.db2.gz TTZOQRNKVCKNJK-UHFFFAOYSA-N 1 2 287.407 2.135 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433313049 377787133 /nfs/dbraw/zinc/78/71/33/377787133.db2.gz TTZOQRNKVCKNJK-UHFFFAOYSA-N 1 2 287.407 2.135 20 30 CEEDLO COC(=O)C(C)(C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000440319300 377930251 /nfs/dbraw/zinc/93/02/51/377930251.db2.gz XXUDYDMLRUOQQA-UHFFFAOYSA-N 1 2 263.312 2.061 20 30 CEEDLO COC(=O)C(C)(C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000440319300 377930257 /nfs/dbraw/zinc/93/02/57/377930257.db2.gz XXUDYDMLRUOQQA-UHFFFAOYSA-N 1 2 263.312 2.061 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000446076605 378084918 /nfs/dbraw/zinc/08/49/18/378084918.db2.gz BSVXFBFSLHIOSN-GFCCVEGCSA-N 1 2 291.420 2.090 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2ncsc2C1 ZINC000446076605 378084922 /nfs/dbraw/zinc/08/49/22/378084922.db2.gz BSVXFBFSLHIOSN-GFCCVEGCSA-N 1 2 291.420 2.090 20 30 CEEDLO C=C(CC)C[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444746400 378080552 /nfs/dbraw/zinc/08/05/52/378080552.db2.gz FCAUNVYYBGQILV-DOMZBBRYSA-N 1 2 269.385 2.289 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000294835147 378022530 /nfs/dbraw/zinc/02/25/30/378022530.db2.gz AXJLNAPAVKCBKW-UHFFFAOYSA-N 1 2 275.735 2.195 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OC ZINC000266033114 190224972 /nfs/dbraw/zinc/22/49/72/190224972.db2.gz STDJGRCSGACSIB-LBPRGKRZSA-N 1 2 258.321 2.108 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OC ZINC000266033114 190224973 /nfs/dbraw/zinc/22/49/73/190224973.db2.gz STDJGRCSGACSIB-LBPRGKRZSA-N 1 2 258.321 2.108 20 30 CEEDLO C=CCC[C@@H]([NH2+]C1CC(OCC)C1)C(=O)OCC ZINC000449660523 378218835 /nfs/dbraw/zinc/21/88/35/378218835.db2.gz XYJFANBCVLNDTE-WXRRBKDZSA-N 1 2 255.358 2.041 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(=O)OC)co1 ZINC000450699014 378538064 /nfs/dbraw/zinc/53/80/64/378538064.db2.gz QGINSIAXMWCUGT-UHFFFAOYSA-N 1 2 290.319 2.285 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C(=O)OC)co1 ZINC000450699014 378538070 /nfs/dbraw/zinc/53/80/70/378538070.db2.gz QGINSIAXMWCUGT-UHFFFAOYSA-N 1 2 290.319 2.285 20 30 CEEDLO C=CC(C)(C)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000296763391 378640669 /nfs/dbraw/zinc/64/06/69/378640669.db2.gz KFWJZOHWNAOOLO-NWDGAFQWSA-N 1 2 277.368 2.459 20 30 CEEDLO C=CC(C)(C)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000296763391 378640674 /nfs/dbraw/zinc/64/06/74/378640674.db2.gz KFWJZOHWNAOOLO-NWDGAFQWSA-N 1 2 277.368 2.459 20 30 CEEDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000452033285 378726092 /nfs/dbraw/zinc/72/60/92/378726092.db2.gz BQCUNRIREAPFSN-LBPRGKRZSA-N 1 2 293.392 2.059 20 30 CEEDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000452033285 378726096 /nfs/dbraw/zinc/72/60/96/378726096.db2.gz BQCUNRIREAPFSN-LBPRGKRZSA-N 1 2 293.392 2.059 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266168782 190236651 /nfs/dbraw/zinc/23/66/51/190236651.db2.gz SPKJRIVYQWANRG-NSHDSACASA-N 1 2 259.309 2.254 20 30 CEEDLO CCC[N@H+](CC(=O)N(C)C)Cc1cn2ccccc2c1C#N ZINC000298841797 378841872 /nfs/dbraw/zinc/84/18/72/378841872.db2.gz GOJGZWQXOPBWGY-UHFFFAOYSA-N 1 2 298.390 2.111 20 30 CEEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cn2ccccc2c1C#N ZINC000298841797 378841874 /nfs/dbraw/zinc/84/18/74/378841874.db2.gz GOJGZWQXOPBWGY-UHFFFAOYSA-N 1 2 298.390 2.111 20 30 CEEDLO C[C@@H](CC(=O)N1CCCC(C)(C)[C@@H]1C#N)n1cc[nH+]c1 ZINC000514792355 379151632 /nfs/dbraw/zinc/15/16/32/379151632.db2.gz LUCQQJCDEAKSSF-STQMWFEESA-N 1 2 274.368 2.375 20 30 CEEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000516580612 379294453 /nfs/dbraw/zinc/29/44/53/379294453.db2.gz MBPPIUZNXHDLJZ-OAHLLOKOSA-N 1 2 289.354 2.335 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(O)CC2)c1C#N ZINC000303047195 379484482 /nfs/dbraw/zinc/48/44/82/379484482.db2.gz WRVRWPWTCFZOIO-UHFFFAOYSA-N 1 2 296.374 2.009 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000266918627 190290554 /nfs/dbraw/zinc/29/05/54/190290554.db2.gz LHGOAGNSFKWPNX-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000266918627 190290555 /nfs/dbraw/zinc/29/05/55/190290555.db2.gz LHGOAGNSFKWPNX-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000267302213 190319858 /nfs/dbraw/zinc/31/98/58/190319858.db2.gz KMHHQFHYLZQWHY-UHFFFAOYSA-N 1 2 289.360 2.297 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000267302213 190319859 /nfs/dbraw/zinc/31/98/59/190319859.db2.gz KMHHQFHYLZQWHY-UHFFFAOYSA-N 1 2 289.360 2.297 20 30 CEEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccn(C)n1 ZINC000459773671 380067159 /nfs/dbraw/zinc/06/71/59/380067159.db2.gz CGPYRDPFLNHKAG-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccn(C)n1 ZINC000459777382 380067213 /nfs/dbraw/zinc/06/72/13/380067213.db2.gz DSHQITJVBLRXJG-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)s1 ZINC000493148921 380819650 /nfs/dbraw/zinc/81/96/50/380819650.db2.gz JSANMCVCFJPMBI-VUDGCMKMSA-N 1 2 297.811 2.375 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/C1CCCCC1 ZINC000493578186 381066029 /nfs/dbraw/zinc/06/60/29/381066029.db2.gz GIPQAJVPSLELFD-BOLDSZDNSA-N 1 2 263.385 2.083 20 30 CEEDLO CCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495424817 381172039 /nfs/dbraw/zinc/17/20/39/381172039.db2.gz RPGUBBPQXDJSOE-UHFFFAOYSA-N 1 2 293.367 2.368 20 30 CEEDLO C=C(CC)C[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495560823 381177025 /nfs/dbraw/zinc/17/70/25/381177025.db2.gz SCVATONBLHGZAT-CYBMUJFWSA-N 1 2 284.400 2.178 20 30 CEEDLO C=C(CC)C[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495560823 381177031 /nfs/dbraw/zinc/17/70/31/381177031.db2.gz SCVATONBLHGZAT-CYBMUJFWSA-N 1 2 284.400 2.178 20 30 CEEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC1(C#N)CC1 ZINC000496124702 381199464 /nfs/dbraw/zinc/19/94/64/381199464.db2.gz ZAQYENIIPAEEST-RYUDHWBXSA-N 1 2 279.384 2.278 20 30 CEEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC1(C#N)CC1 ZINC000496124702 381199474 /nfs/dbraw/zinc/19/94/74/381199474.db2.gz ZAQYENIIPAEEST-RYUDHWBXSA-N 1 2 279.384 2.278 20 30 CEEDLO C#CCCCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000191995706 533002296 /nfs/dbraw/zinc/00/22/96/533002296.db2.gz GNEDZOHBRBSABT-UHFFFAOYSA-N 1 2 274.364 2.469 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042449551 285054412 /nfs/dbraw/zinc/05/44/12/285054412.db2.gz VSRMNKYIIMEUIB-KGLIPLIRSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042449551 285054417 /nfs/dbraw/zinc/05/44/17/285054417.db2.gz VSRMNKYIIMEUIB-KGLIPLIRSA-N 1 2 265.401 2.259 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)o1 ZINC000353752402 220306446 /nfs/dbraw/zinc/30/64/46/220306446.db2.gz LCTXTXPXZNLYJX-VXGBXAGGSA-N 1 2 288.269 2.429 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)o1 ZINC000353752402 220306448 /nfs/dbraw/zinc/30/64/48/220306448.db2.gz LCTXTXPXZNLYJX-VXGBXAGGSA-N 1 2 288.269 2.429 20 30 CEEDLO CC#CCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186833602 262111912 /nfs/dbraw/zinc/11/19/12/262111912.db2.gz UVHBGFZRVGNCNR-UHFFFAOYSA-N 1 2 268.263 2.046 20 30 CEEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000192219877 533112482 /nfs/dbraw/zinc/11/24/82/533112482.db2.gz KWAMADUTGTZITO-CYBMUJFWSA-N 1 2 262.740 2.010 20 30 CEEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000192219877 533112484 /nfs/dbraw/zinc/11/24/84/533112484.db2.gz KWAMADUTGTZITO-CYBMUJFWSA-N 1 2 262.740 2.010 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093475621 184681540 /nfs/dbraw/zinc/68/15/40/184681540.db2.gz PDWKMSWNRHGRPE-UHFFFAOYSA-N 1 2 267.307 2.080 20 30 CEEDLO CC(C)[C@H](NC(=O)c1cc(C#N)cs1)c1[nH]cc[nH+]1 ZINC000283088797 195789076 /nfs/dbraw/zinc/78/90/76/195789076.db2.gz SZPJPKGCOHSCJT-NSHDSACASA-N 1 2 274.349 2.470 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)s1 ZINC000191679266 130277683 /nfs/dbraw/zinc/27/76/83/130277683.db2.gz QNPXONUCWXOGON-LERXQTSPSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)s1 ZINC000191679266 130277686 /nfs/dbraw/zinc/27/76/86/130277686.db2.gz QNPXONUCWXOGON-LERXQTSPSA-N 1 2 290.388 2.393 20 30 CEEDLO C[C@]1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCCOC1 ZINC000329730178 394581652 /nfs/dbraw/zinc/58/16/52/394581652.db2.gz DBQWOHNWGZJCQQ-AWEZNQCLSA-N 1 2 274.324 2.039 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[C@]13CCOC3)CCC2 ZINC000329750955 394582986 /nfs/dbraw/zinc/58/29/86/394582986.db2.gz VGXXMSUARVAFCH-XEZPLFJOSA-N 1 2 289.379 2.452 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000266332210 394664557 /nfs/dbraw/zinc/66/45/57/394664557.db2.gz KPTLVTUIIPZYGZ-CYANDVJASA-N 1 2 265.309 2.104 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC000330449549 394611241 /nfs/dbraw/zinc/61/12/41/394611241.db2.gz JCKWJKPADINJBC-DTWKUNHWSA-N 1 2 250.302 2.117 20 30 CEEDLO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)C[C@H](C)C#N ZINC000330618669 394622491 /nfs/dbraw/zinc/62/24/91/394622491.db2.gz YCFZCEKIPOHNQX-UXXRCYHCSA-N 1 2 279.428 2.407 20 30 CEEDLO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)C[C@H](C)C#N ZINC000330618669 394622494 /nfs/dbraw/zinc/62/24/94/394622494.db2.gz YCFZCEKIPOHNQX-UXXRCYHCSA-N 1 2 279.428 2.407 20 30 CEEDLO Cc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078687645 394626848 /nfs/dbraw/zinc/62/68/48/394626848.db2.gz UPNCCELKRRPLBB-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1cccc(C[N@H+](CCC#N)CCN2CCOCC2)c1 ZINC000078687645 394626854 /nfs/dbraw/zinc/62/68/54/394626854.db2.gz UPNCCELKRRPLBB-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1cccc(C[N@@H+](CCC#N)CCN2CCOCC2)c1 ZINC000078687645 394626859 /nfs/dbraw/zinc/62/68/59/394626859.db2.gz UPNCCELKRRPLBB-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1cc(N2CCC[C@@H](N3CCCC3=O)CC2)c(C#N)c[nH+]1 ZINC000333436277 394645780 /nfs/dbraw/zinc/64/57/80/394645780.db2.gz VMFDYISPORZEOY-OAHLLOKOSA-N 1 2 298.390 2.243 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ncc(C2CC2)o1 ZINC000270455911 394734715 /nfs/dbraw/zinc/73/47/15/394734715.db2.gz PBVVNAHVGHUDDG-SNVBAGLBSA-N 1 2 281.356 2.402 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000268294829 394692242 /nfs/dbraw/zinc/69/22/42/394692242.db2.gz KLCSLRFENRVHAH-GJZGRUSLSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000268294829 394692245 /nfs/dbraw/zinc/69/22/45/394692245.db2.gz KLCSLRFENRVHAH-GJZGRUSLSA-N 1 2 276.380 2.277 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861835 394708939 /nfs/dbraw/zinc/70/89/39/394708939.db2.gz KJNSZKBFNRPGEQ-ZDUSSCGKSA-N 1 2 277.368 2.028 20 30 CEEDLO N#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCC1 ZINC000271338108 394755052 /nfs/dbraw/zinc/75/50/52/394755052.db2.gz SUSNJCBWKPPLKE-UHFFFAOYSA-N 1 2 295.346 2.176 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597705 394763598 /nfs/dbraw/zinc/76/35/98/394763598.db2.gz IWMQRKDQYDBZMM-QWHCGFSZSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597705 394763599 /nfs/dbraw/zinc/76/35/99/394763599.db2.gz IWMQRKDQYDBZMM-QWHCGFSZSA-N 1 2 265.401 2.115 20 30 CEEDLO CC#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000121591544 394801108 /nfs/dbraw/zinc/80/11/08/394801108.db2.gz XBGWIHRXZPVZFS-HNNXBMFYSA-N 1 2 286.375 2.430 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000121591544 394801113 /nfs/dbraw/zinc/80/11/13/394801113.db2.gz XBGWIHRXZPVZFS-HNNXBMFYSA-N 1 2 286.375 2.430 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000360939259 394811763 /nfs/dbraw/zinc/81/17/63/394811763.db2.gz GBGKKFJBJVTNPC-JTQLQIEISA-N 1 2 286.173 2.466 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000360939259 394811766 /nfs/dbraw/zinc/81/17/66/394811766.db2.gz GBGKKFJBJVTNPC-JTQLQIEISA-N 1 2 286.173 2.466 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OC ZINC000361114554 394816979 /nfs/dbraw/zinc/81/69/79/394816979.db2.gz SUYIGXLJCOHCTM-JSGCOSHPSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)OC ZINC000361113777 394817074 /nfs/dbraw/zinc/81/70/74/394817074.db2.gz NVFIYJKJKHHMKT-SYQHCUMBSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccccc3o2)C1=O ZINC000281878459 394867406 /nfs/dbraw/zinc/86/74/06/394867406.db2.gz CSVBIJKZMDQYLB-CYBMUJFWSA-N 1 2 285.347 2.047 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3o2)C1=O ZINC000281878459 394867410 /nfs/dbraw/zinc/86/74/10/394867410.db2.gz CSVBIJKZMDQYLB-CYBMUJFWSA-N 1 2 285.347 2.047 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363502646 394879070 /nfs/dbraw/zinc/87/90/70/394879070.db2.gz PXOBHGKGFJJFRE-CQSZACIVSA-N 1 2 280.318 2.404 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363502646 394879073 /nfs/dbraw/zinc/87/90/73/394879073.db2.gz PXOBHGKGFJJFRE-CQSZACIVSA-N 1 2 280.318 2.404 20 30 CEEDLO CC[C@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000130409064 394887557 /nfs/dbraw/zinc/88/75/57/394887557.db2.gz AAWZNVQCJXSBLX-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@H]1COCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130409064 394887560 /nfs/dbraw/zinc/88/75/60/394887560.db2.gz AAWZNVQCJXSBLX-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[N@H+](CC(=O)N(C)CC#N)Cc1ccccc1Cl ZINC000339254976 394954628 /nfs/dbraw/zinc/95/46/28/394954628.db2.gz MSYNFALZVZJXGX-UHFFFAOYSA-N 1 2 279.771 2.144 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)CC#N)Cc1ccccc1Cl ZINC000339254976 394954631 /nfs/dbraw/zinc/95/46/31/394954631.db2.gz MSYNFALZVZJXGX-UHFFFAOYSA-N 1 2 279.771 2.144 20 30 CEEDLO C#CCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000282594409 394921190 /nfs/dbraw/zinc/92/11/90/394921190.db2.gz HBSXSXCFQVQMFS-UHFFFAOYSA-N 1 2 298.390 2.335 20 30 CEEDLO CCc1oc(C[NH2+][C@H](CC)CC#N)cc1C(=O)OC ZINC000338932252 394933212 /nfs/dbraw/zinc/93/32/12/394933212.db2.gz AIOIEXRRHPUVAA-SNVBAGLBSA-N 1 2 264.325 2.410 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000366093695 394937701 /nfs/dbraw/zinc/93/77/01/394937701.db2.gz OYOOPWYAWZMYEQ-TUAOUCFPSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000366093695 394937704 /nfs/dbraw/zinc/93/77/04/394937704.db2.gz OYOOPWYAWZMYEQ-TUAOUCFPSA-N 1 2 290.201 2.163 20 30 CEEDLO C[N@@H+]1CCN(C(=O)CC#N)C[C@H]1c1ccccc1Cl ZINC000366475585 394946138 /nfs/dbraw/zinc/94/61/38/394946138.db2.gz QOEIJEJTXFOZIR-ZDUSSCGKSA-N 1 2 277.755 2.069 20 30 CEEDLO C[N@H+]1CCN(C(=O)CC#N)C[C@H]1c1ccccc1Cl ZINC000366475585 394946141 /nfs/dbraw/zinc/94/61/41/394946141.db2.gz QOEIJEJTXFOZIR-ZDUSSCGKSA-N 1 2 277.755 2.069 20 30 CEEDLO CC#CCCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000367093716 394957045 /nfs/dbraw/zinc/95/70/45/394957045.db2.gz LVQMZHGAMRYPNT-MRXNPFEDSA-N 1 2 288.366 2.492 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000286347040 395020285 /nfs/dbraw/zinc/02/02/85/395020285.db2.gz XQAYPCVOPXYINE-UHFFFAOYSA-N 1 2 266.291 2.247 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000286347040 395020291 /nfs/dbraw/zinc/02/02/91/395020291.db2.gz XQAYPCVOPXYINE-UHFFFAOYSA-N 1 2 266.291 2.247 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C1(C#N)CCC1 ZINC000134509885 394957984 /nfs/dbraw/zinc/95/79/84/394957984.db2.gz IRRDJOBEYDVVLP-UHFFFAOYSA-N 1 2 282.347 2.155 20 30 CEEDLO C#Cc1cccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000372880896 395048398 /nfs/dbraw/zinc/04/83/98/395048398.db2.gz MBVDIVBVYYGIQC-CQSZACIVSA-N 1 2 294.358 2.423 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](CCC#N)C[C@@H]21 ZINC000372993100 395050891 /nfs/dbraw/zinc/05/08/91/395050891.db2.gz NMFLHSKIAVCKIU-OLZOCXBDSA-N 1 2 279.384 2.231 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCC#N)C[C@@H]21 ZINC000372993100 395050893 /nfs/dbraw/zinc/05/08/93/395050893.db2.gz NMFLHSKIAVCKIU-OLZOCXBDSA-N 1 2 279.384 2.231 20 30 CEEDLO Cc1cnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000374290456 395079657 /nfs/dbraw/zinc/07/96/57/395079657.db2.gz 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395109552 /nfs/dbraw/zinc/10/95/52/395109552.db2.gz BHTIXLBRNGYNQU-XJKSGUPXSA-N 1 2 286.379 2.106 20 30 CEEDLO COCC[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCO[C@H]1C ZINC000428985512 395157313 /nfs/dbraw/zinc/15/73/13/395157313.db2.gz VNXXTSMOEVJCMM-BLLLJJGKSA-N 1 2 292.354 2.323 20 30 CEEDLO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCO[C@H]1C ZINC000428985512 395157315 /nfs/dbraw/zinc/15/73/15/395157315.db2.gz VNXXTSMOEVJCMM-BLLLJJGKSA-N 1 2 292.354 2.323 20 30 CEEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000505789023 395167991 /nfs/dbraw/zinc/16/79/91/395167991.db2.gz DHHMYBQHFFDTOA-CYBMUJFWSA-N 1 2 288.738 2.308 20 30 CEEDLO CC#CC[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000293307612 395227353 /nfs/dbraw/zinc/22/73/53/395227353.db2.gz WWIGACIUVZKBJO-UHFFFAOYSA-N 1 2 277.274 2.470 20 30 CEEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000293307612 395227357 /nfs/dbraw/zinc/22/73/57/395227357.db2.gz WWIGACIUVZKBJO-UHFFFAOYSA-N 1 2 277.274 2.470 20 30 CEEDLO 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C(#Cc1ccccc1)C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000361750272 266878308 /nfs/dbraw/zinc/87/83/08/266878308.db2.gz MTEUSKIJJYUKEN-SFHVURJKSA-N 1 2 285.387 2.166 20 30 CEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000361750272 266878310 /nfs/dbraw/zinc/87/83/10/266878310.db2.gz MTEUSKIJJYUKEN-SFHVURJKSA-N 1 2 285.387 2.166 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363192933 267080146 /nfs/dbraw/zinc/08/01/46/267080146.db2.gz QMYZFSFEYLOCNS-UHFFFAOYSA-N 1 2 268.744 2.180 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363192933 267080149 /nfs/dbraw/zinc/08/01/49/267080149.db2.gz QMYZFSFEYLOCNS-UHFFFAOYSA-N 1 2 268.744 2.180 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000456353510 267259057 /nfs/dbraw/zinc/25/90/57/267259057.db2.gz OPQOSVVCIQGKTK-NSHDSACASA-N 1 2 268.320 2.266 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC[C@@](F)(c2cccc(C)c2)C1 ZINC000370572660 267328864 /nfs/dbraw/zinc/32/88/64/267328864.db2.gz SWGZMQBSKBMCLU-INIZCTEOSA-N 1 2 276.355 2.168 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@](F)(c2cccc(C)c2)C1 ZINC000370572660 267328865 /nfs/dbraw/zinc/32/88/65/267328865.db2.gz SWGZMQBSKBMCLU-INIZCTEOSA-N 1 2 276.355 2.168 20 30 CEEDLO Cc1cc(NC[C@H](CCO)CC(C)C)c(C#N)c[nH+]1 ZINC000425222689 267951146 /nfs/dbraw/zinc/95/11/46/267951146.db2.gz AWNRROFCVWPFIV-CYBMUJFWSA-N 1 2 261.369 2.140 20 30 CEEDLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)on1 ZINC000425534913 268006607 /nfs/dbraw/zinc/00/66/07/268006607.db2.gz MOBAVXMABCEJFS-GFCCVEGCSA-N 1 2 298.346 2.486 20 30 CEEDLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)on1 ZINC000425534913 268006609 /nfs/dbraw/zinc/00/66/09/268006609.db2.gz MOBAVXMABCEJFS-GFCCVEGCSA-N 1 2 298.346 2.486 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425506745 268163117 /nfs/dbraw/zinc/16/31/17/268163117.db2.gz LPBXKFYOBQNBNO-ZDUSSCGKSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425506745 268163119 /nfs/dbraw/zinc/16/31/19/268163119.db2.gz LPBXKFYOBQNBNO-ZDUSSCGKSA-N 1 2 285.326 2.126 20 30 CEEDLO COc1cccc(CNc2cc(C)[nH+]cc2C#N)c1OC ZINC000425203660 271138498 /nfs/dbraw/zinc/13/84/98/271138498.db2.gz FTDYEFBYMRZAHX-UHFFFAOYSA-N 1 2 283.331 2.313 20 30 CEEDLO Cc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)c(C#N)c[nH+]1 ZINC000425238516 271143956 /nfs/dbraw/zinc/14/39/56/271143956.db2.gz MQNKSTSMXSSIPS-QWHCGFSZSA-N 1 2 257.337 2.125 20 30 CEEDLO Cc1cc(N2CCSC3(CCOCC3)C2)c(C#N)c[nH+]1 ZINC000425243174 271145194 /nfs/dbraw/zinc/14/51/94/271145194.db2.gz QCOCQRWTKSEGMW-UHFFFAOYSA-N 1 2 289.404 2.364 20 30 CEEDLO C#CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000128280522 275718001 /nfs/dbraw/zinc/71/80/01/275718001.db2.gz JQHXLCPUVVZPBL-HZPDHXFCSA-N 1 2 294.358 2.044 20 30 CEEDLO CC1(C)CC[N@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000321895392 278259188 /nfs/dbraw/zinc/25/91/88/278259188.db2.gz PFKQHTBNBRBWIV-LJQANCHMSA-N 1 2 276.405 2.291 20 30 CEEDLO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000321895392 278259191 /nfs/dbraw/zinc/25/91/91/278259191.db2.gz PFKQHTBNBRBWIV-LJQANCHMSA-N 1 2 276.405 2.291 20 30 CEEDLO Cc1cc(N2CCC[C@H](N3CCCC3=O)CC2)c(C#N)c[nH+]1 ZINC000333436276 278710234 /nfs/dbraw/zinc/71/02/34/278710234.db2.gz VMFDYISPORZEOY-HNNXBMFYSA-N 1 2 298.390 2.243 20 30 CEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000428778865 281201273 /nfs/dbraw/zinc/20/12/73/281201273.db2.gz JRWRIKYFDARLMJ-OCCSQVGLSA-N 1 2 298.346 2.464 20 30 CEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000428778865 281201274 /nfs/dbraw/zinc/20/12/74/281201274.db2.gz JRWRIKYFDARLMJ-OCCSQVGLSA-N 1 2 298.346 2.464 20 30 CEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000428778866 281201334 /nfs/dbraw/zinc/20/13/34/281201334.db2.gz JRWRIKYFDARLMJ-TZMCWYRMSA-N 1 2 298.346 2.464 20 30 CEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000428778866 281201335 /nfs/dbraw/zinc/20/13/35/281201335.db2.gz JRWRIKYFDARLMJ-TZMCWYRMSA-N 1 2 298.346 2.464 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)o1 ZINC000157899124 289224576 /nfs/dbraw/zinc/22/45/76/289224576.db2.gz SITQBKVIRQVLOF-UHFFFAOYSA-N 1 2 283.331 2.179 20 30 CEEDLO Cc1nnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)c1C ZINC000333694852 302820397 /nfs/dbraw/zinc/82/03/97/302820397.db2.gz MZJXPXSTUAZIFC-QPUJVOFHSA-N 1 2 268.324 2.280 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832304 303154402 /nfs/dbraw/zinc/15/44/02/303154402.db2.gz ASWPKPDBJLGQAD-AWEZNQCLSA-N 1 2 261.369 2.465 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832304 303154403 /nfs/dbraw/zinc/15/44/03/303154403.db2.gz ASWPKPDBJLGQAD-AWEZNQCLSA-N 1 2 261.369 2.465 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)c2[nH+]ccn21 ZINC000565817604 313838904 /nfs/dbraw/zinc/83/89/04/313838904.db2.gz PZTDLFROXLXTQW-QMTHXVAHSA-N 1 2 298.321 2.259 20 30 CEEDLO N#Cc1cnc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)nc1 ZINC000570426011 314038957 /nfs/dbraw/zinc/03/89/57/314038957.db2.gz OXZDYDYCIBHUCA-CQSZACIVSA-N 1 2 274.393 2.067 20 30 CEEDLO N#Cc1cnc(C[N@H+]2CCC[C@@]3(CCSC3)C2)nc1 ZINC000570426011 314038959 /nfs/dbraw/zinc/03/89/59/314038959.db2.gz OXZDYDYCIBHUCA-CQSZACIVSA-N 1 2 274.393 2.067 20 30 CEEDLO N#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000570681273 314051820 /nfs/dbraw/zinc/05/18/20/314051820.db2.gz KWJNDGOTLXTELH-GFCCVEGCSA-N 1 2 296.334 2.435 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000577615673 314395599 /nfs/dbraw/zinc/39/55/99/314395599.db2.gz WARXTNWKBQLXHI-ZFWWWQNUSA-N 1 2 287.319 2.220 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000577615673 314395604 /nfs/dbraw/zinc/39/56/04/314395604.db2.gz WARXTNWKBQLXHI-ZFWWWQNUSA-N 1 2 287.319 2.220 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)CC#N)ccn12 ZINC000563376271 328058385 /nfs/dbraw/zinc/05/83/85/328058385.db2.gz ICHNSTHYYICDJE-JTQLQIEISA-N 1 2 256.309 2.017 20 30 CEEDLO C[C@@H](CC(=O)N(CCC#N)Cc1ccccn1)n1cc[nH+]c1 ZINC000563540828 328073486 /nfs/dbraw/zinc/07/34/86/328073486.db2.gz HGXZGFBUFPFQIG-AWEZNQCLSA-N 1 2 297.362 2.172 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000268340279 328184177 /nfs/dbraw/zinc/18/41/77/328184177.db2.gz ZTJLSWRTKXLDLC-JOYOIKCWSA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000268340279 328184178 /nfs/dbraw/zinc/18/41/78/328184178.db2.gz ZTJLSWRTKXLDLC-JOYOIKCWSA-N 1 2 254.280 2.232 20 30 CEEDLO N#CCc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000270261894 328192596 /nfs/dbraw/zinc/19/25/96/328192596.db2.gz DHIXEOYGMRIMOC-OAHLLOKOSA-N 1 2 294.358 2.496 20 30 CEEDLO CC(C)[C@H](O)C1(C/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000271813854 328197631 /nfs/dbraw/zinc/19/76/31/328197631.db2.gz NVTOOWIRNPEVGS-WBNYAZSOSA-N 1 2 279.336 2.019 20 30 CEEDLO N#CC1(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CCC1 ZINC000273735383 328206201 /nfs/dbraw/zinc/20/62/01/328206201.db2.gz ODPBENNTQKDZOD-UHFFFAOYSA-N 1 2 292.302 2.263 20 30 CEEDLO CO[C@H](CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284451288 328245831 /nfs/dbraw/zinc/24/58/31/328245831.db2.gz QATWOZKCEHBDDC-CHWSQXEVSA-N 1 2 298.770 2.495 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000293527965 328276465 /nfs/dbraw/zinc/27/64/65/328276465.db2.gz JCNQBEGVJWQUNS-OAHLLOKOSA-N 1 2 262.328 2.131 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000293527965 328276467 /nfs/dbraw/zinc/27/64/67/328276467.db2.gz JCNQBEGVJWQUNS-OAHLLOKOSA-N 1 2 262.328 2.131 20 30 CEEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC000535260819 328399072 /nfs/dbraw/zinc/39/90/72/328399072.db2.gz KGQHBUBHFQBVJL-UHFFFAOYSA-N 1 2 289.404 2.086 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000584123648 327045796 /nfs/dbraw/zinc/04/57/96/327045796.db2.gz CYCAOARTRVCGHK-STQMWFEESA-N 1 2 289.379 2.096 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000584151735 327050646 /nfs/dbraw/zinc/05/06/46/327050646.db2.gz TWEVFDFFPADWGF-CHWSQXEVSA-N 1 2 297.362 2.166 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000584151735 327050648 /nfs/dbraw/zinc/05/06/48/327050648.db2.gz TWEVFDFFPADWGF-CHWSQXEVSA-N 1 2 297.362 2.166 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@@]3(C#N)CC3(C)C)cc2n1C ZINC000558871915 327128554 /nfs/dbraw/zinc/12/85/54/327128554.db2.gz VLBMAJHHNBZJPE-MRXNPFEDSA-N 1 2 282.347 2.304 20 30 CEEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCCCC#N)c1 ZINC000584301809 327231043 /nfs/dbraw/zinc/23/10/43/327231043.db2.gz GLZSFHRYRFQGNP-HNNXBMFYSA-N 1 2 271.364 2.162 20 30 CEEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCCCC#N)c1 ZINC000584301809 327231044 /nfs/dbraw/zinc/23/10/44/327231044.db2.gz GLZSFHRYRFQGNP-HNNXBMFYSA-N 1 2 271.364 2.162 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152180652 327250977 /nfs/dbraw/zinc/25/09/77/327250977.db2.gz TZBVPVADSDERBZ-CQSZACIVSA-N 1 2 288.395 2.234 20 30 CEEDLO N#CCC[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000583435769 327362124 /nfs/dbraw/zinc/36/21/24/327362124.db2.gz CXYUZUAEOBPWLH-LLVKDONJSA-N 1 2 297.280 2.314 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCc2sccc21 ZINC000565051384 327422871 /nfs/dbraw/zinc/42/28/71/327422871.db2.gz MRQWUSCYLOPGGO-DOMZBBRYSA-N 1 2 291.420 2.128 20 30 CEEDLO C=CCC[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)OCC ZINC000418118831 328946346 /nfs/dbraw/zinc/94/63/46/328946346.db2.gz UKENKDNSYOHJSZ-VXGBXAGGSA-N 1 2 255.358 2.041 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H](C)CC#N ZINC000171550370 329077425 /nfs/dbraw/zinc/07/74/25/329077425.db2.gz BBMWZEOEHIZUJH-LLVKDONJSA-N 1 2 270.336 2.105 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCCCC#N ZINC000171728757 329079503 /nfs/dbraw/zinc/07/95/03/329079503.db2.gz JQNFWTQUTWESAL-UHFFFAOYSA-N 1 2 299.378 2.338 20 30 CEEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000185790108 329331683 /nfs/dbraw/zinc/33/16/83/329331683.db2.gz ZZUUFFGBEALPCE-ZIAGYGMSSA-N 1 2 286.379 2.412 20 30 CEEDLO C=CCCCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186377163 329343875 /nfs/dbraw/zinc/34/38/75/329343875.db2.gz SIDRFFMBEUWXCU-UHFFFAOYSA-N 1 2 273.380 2.477 20 30 CEEDLO C=CCN(CCOC)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000189640344 329384791 /nfs/dbraw/zinc/38/47/91/329384791.db2.gz HTGVJRUUSYNUOG-UHFFFAOYSA-N 1 2 284.363 2.486 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C#N)C1CC1)C2 ZINC000527245953 330241649 /nfs/dbraw/zinc/24/16/49/330241649.db2.gz KSNVOZZMWOMSRJ-BXUZGUMPSA-N 1 2 286.379 2.056 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)C1CC1)CC2 ZINC000527245953 330241651 /nfs/dbraw/zinc/24/16/51/330241651.db2.gz KSNVOZZMWOMSRJ-BXUZGUMPSA-N 1 2 286.379 2.056 20 30 CEEDLO C=CC(C)(C)CCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000528073661 330307067 /nfs/dbraw/zinc/30/70/67/330307067.db2.gz IQUSFXUDTHHDGJ-UHFFFAOYSA-N 1 2 276.384 2.327 20 30 CEEDLO C=CC(C)(C)CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000528073661 330307068 /nfs/dbraw/zinc/30/70/68/330307068.db2.gz IQUSFXUDTHHDGJ-UHFFFAOYSA-N 1 2 276.384 2.327 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)nn1 ZINC000424291680 330334871 /nfs/dbraw/zinc/33/48/71/330334871.db2.gz FBGYSGHTSSSDFP-GFCCVEGCSA-N 1 2 274.372 2.092 20 30 CEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC2(C#N)CCC2)CC1 ZINC000450435132 330979193 /nfs/dbraw/zinc/97/91/93/330979193.db2.gz OHYCLUDNNOPUBQ-HNNXBMFYSA-N 1 2 284.407 2.454 20 30 CEEDLO C=CCC1(CNc2ncnc3c2C[N@H+](C)CC3)CCCC1 ZINC000450842766 331002370 /nfs/dbraw/zinc/00/23/70/331002370.db2.gz HASBYBDCBUGPHM-UHFFFAOYSA-N 1 2 286.423 2.435 20 30 CEEDLO C=CCC1(CNc2ncnc3c2C[N@@H+](C)CC3)CCCC1 ZINC000450842766 331002371 /nfs/dbraw/zinc/00/23/71/331002371.db2.gz HASBYBDCBUGPHM-UHFFFAOYSA-N 1 2 286.423 2.435 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000450891691 331005132 /nfs/dbraw/zinc/00/51/32/331005132.db2.gz BDHNACFJXACURV-HNNXBMFYSA-N 1 2 298.390 2.262 20 30 CEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](F)C1 ZINC000451202008 331020389 /nfs/dbraw/zinc/02/03/89/331020389.db2.gz WEGHFLFFGWYCLC-IQXANGCESA-N 1 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YGFFPMANIRYLSD-QGZVFWFLSA-N 1 2 296.374 2.282 20 30 CEEDLO N#CC1CC[NH+](Cn2cnc(-c3ccccc3)n2)CC1 ZINC000117862954 645960668 /nfs/dbraw/zinc/96/06/68/645960668.db2.gz MNYCISVSCHCZJJ-UHFFFAOYSA-N 1 2 267.336 2.138 20 30 CEEDLO COC(=O)c1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000767727689 646033680 /nfs/dbraw/zinc/03/36/80/646033680.db2.gz BEFWEFLKTXAGKF-VOTSOKGWSA-N 1 2 256.261 2.092 20 30 CEEDLO Cc1ccnc(N=NCc2cccc3[nH+]ccn32)c1 ZINC000771101239 646490829 /nfs/dbraw/zinc/49/08/29/646490829.db2.gz YABYWYMHEPVLLB-UHFFFAOYSA-N 1 2 251.293 2.484 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000862579308 646515130 /nfs/dbraw/zinc/51/51/30/646515130.db2.gz ULEQGJSDELKIQQ-ZDUSSCGKSA-N 1 2 267.332 2.128 20 30 CEEDLO C#C[C@H](Nc1nc(C)[nH+]c2c1CCCC2)[C@@H]1CCCO1 ZINC000772260309 646611994 /nfs/dbraw/zinc/61/19/94/646611994.db2.gz WVQATLCQFPDBHD-ZFWWWQNUSA-N 1 2 271.364 2.257 20 30 CEEDLO FC(F)(F)C(F)(F)CNN=Cc1cccc2[nH+]ccn21 ZINC000863181878 646665822 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N#C[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCOC1 ZINC000864728805 647092388 /nfs/dbraw/zinc/09/23/88/647092388.db2.gz QAMYVWJEPZQWLY-MRXNPFEDSA-N 1 2 296.330 2.131 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000777541002 647146691 /nfs/dbraw/zinc/14/66/91/647146691.db2.gz NFIHSMZQWSCSKB-MRXNPFEDSA-N 1 2 258.365 2.252 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000777541002 647146694 /nfs/dbraw/zinc/14/66/94/647146694.db2.gz NFIHSMZQWSCSKB-MRXNPFEDSA-N 1 2 258.365 2.252 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000777959472 647192428 /nfs/dbraw/zinc/19/24/28/647192428.db2.gz KWOKTUAOUYXJTC-ZDUSSCGKSA-N 1 2 266.385 2.263 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000777959472 647192432 /nfs/dbraw/zinc/19/24/32/647192432.db2.gz KWOKTUAOUYXJTC-ZDUSSCGKSA-N 1 2 266.385 2.263 20 30 CEEDLO C=C(Cl)C[C@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000865311672 647240243 /nfs/dbraw/zinc/24/02/43/647240243.db2.gz IUANNEXFUCJPHP-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/54/10/07/647541007.db2.gz YRSHVBCSCJZVNQ-OCCSQVGLSA-N 1 2 293.440 2.465 20 30 CEEDLO Nc1ncc(C=[NH+]Nc2ccc(Br)cc2)cn1 ZINC000781590327 647541465 /nfs/dbraw/zinc/54/14/65/647541465.db2.gz YFGCKSOQWBORPO-UHFFFAOYSA-N 1 2 292.140 2.267 20 30 CEEDLO N#CCc1cccc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000783016708 647670830 /nfs/dbraw/zinc/67/08/30/647670830.db2.gz WRNBQLHHMCZGJP-UHFFFAOYSA-N 1 2 269.304 2.196 20 30 CEEDLO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866248148 647693502 /nfs/dbraw/zinc/69/35/02/647693502.db2.gz LQUORSSHYPYSAF-AAEUAGOBSA-N 1 2 262.353 2.321 20 30 CEEDLO COCCOCCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866251194 647696282 /nfs/dbraw/zinc/69/62/82/647696282.db2.gz JUOWOKRZTRWUJK-ZDUSSCGKSA-N 1 2 292.379 2.358 20 30 CEEDLO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000866264999 647704377 /nfs/dbraw/zinc/70/43/77/647704377.db2.gz WHWZRSIUIQFROK-BONVTDFDSA-N 1 2 260.337 2.075 20 30 CEEDLO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866266066 647704992 /nfs/dbraw/zinc/70/49/92/647704992.db2.gz WPRYPKTUQFZUCO-MISXGVKJSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(C#N)c1O ZINC000866277360 647712809 /nfs/dbraw/zinc/71/28/09/647712809.db2.gz AVQNHFQJPTVJFR-NSHDSACASA-N 1 2 255.321 2.453 20 30 CEEDLO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ncn1 ZINC000866309064 647729919 /nfs/dbraw/zinc/72/99/19/647729919.db2.gz BMHJLFJHKKLSQE-NSHDSACASA-N 1 2 268.320 2.213 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(C#N)c1O ZINC000866343386 647746874 /nfs/dbraw/zinc/74/68/74/647746874.db2.gz JMUPRVZTHYTCIW-YWPYICTPSA-N 1 2 274.364 2.466 20 30 CEEDLO Cc1cnc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)cn1 ZINC000866370396 647761402 /nfs/dbraw/zinc/76/14/02/647761402.db2.gz VRUNMTHGGJRIJN-LBPRGKRZSA-N 1 2 282.347 2.256 20 30 CEEDLO COCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866387094 647768280 /nfs/dbraw/zinc/76/82/80/647768280.db2.gz MIOAPUHJDSUYGY-NSHDSACASA-N 1 2 260.337 2.341 20 30 CEEDLO c1cn(-c2csc(CN=Nc3cnccn3)c2)c[nH+]1 ZINC000783825211 647769295 /nfs/dbraw/zinc/76/92/95/647769295.db2.gz WAHUESCQCPNYEN-UHFFFAOYSA-N 1 2 270.321 2.170 20 30 CEEDLO COc1ccc(OC(F)F)c(C=NNc2[nH+]ccn2C)c1 ZINC000790306338 648405772 /nfs/dbraw/zinc/40/57/72/648405772.db2.gz YCQIPLXVNNDUMG-UHFFFAOYSA-N 1 2 296.277 2.476 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1F ZINC000792220925 648628007 /nfs/dbraw/zinc/62/80/07/648628007.db2.gz XMKYZBGSYAWCQL-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1F ZINC000792220925 648628008 /nfs/dbraw/zinc/62/80/08/648628008.db2.gz XMKYZBGSYAWCQL-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO CCOCCON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000792642955 648662648 /nfs/dbraw/zinc/66/26/48/648662648.db2.gz OLWPEPCWABZPOC-UHFFFAOYSA-N 1 2 262.353 2.431 20 30 CEEDLO Fc1cncnc1N=NCc1cc(-n2cc[nH+]c2)cs1 ZINC000793214529 648724251 /nfs/dbraw/zinc/72/42/51/648724251.db2.gz NUMCXMOSIIFVSF-UHFFFAOYSA-N 1 2 288.311 2.309 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000794405189 648862978 /nfs/dbraw/zinc/86/29/78/648862978.db2.gz USCAFTBWOJIVSG-CQSZACIVSA-N 1 2 281.315 2.068 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000794405189 648862982 /nfs/dbraw/zinc/86/29/82/648862982.db2.gz USCAFTBWOJIVSG-CQSZACIVSA-N 1 2 281.315 2.068 20 30 CEEDLO C[C@@H]1CCCCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635895 648895992 /nfs/dbraw/zinc/89/59/92/648895992.db2.gz XRIRQJTYINXJEK-LLVKDONJSA-N 1 2 279.413 2.239 20 30 CEEDLO C[C@@H]1CCCCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635895 648895997 /nfs/dbraw/zinc/89/59/97/648895997.db2.gz XRIRQJTYINXJEK-LLVKDONJSA-N 1 2 279.413 2.239 20 30 CEEDLO CCCC[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(=O)OC ZINC000871928755 649218632 /nfs/dbraw/zinc/21/86/32/649218632.db2.gz KOGHHCBKSIBBJW-CVEARBPZSA-N 1 2 286.375 2.347 20 30 CEEDLO FC(F)c1ccc(C=NNCCCn2cc[nH+]c2)cn1 ZINC000872387958 649376635 /nfs/dbraw/zinc/37/66/35/649376635.db2.gz VGUKQMKXVAFCFT-UHFFFAOYSA-N 1 2 279.294 2.230 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CN2CCC3(CCCC3)C2=O)C1 ZINC000872624200 649443201 /nfs/dbraw/zinc/44/32/01/649443201.db2.gz IMNOQDLWHNLNLV-CQSZACIVSA-N 1 2 275.396 2.362 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CN2CCC3(CCCC3)C2=O)C1 ZINC000872624200 649443208 /nfs/dbraw/zinc/44/32/08/649443208.db2.gz IMNOQDLWHNLNLV-CQSZACIVSA-N 1 2 275.396 2.362 20 30 CEEDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)cc1F ZINC000872771359 649481569 /nfs/dbraw/zinc/48/15/69/649481569.db2.gz HCUKZRYIYSIINF-ZDUSSCGKSA-N 1 2 277.343 2.220 20 30 CEEDLO CC[C@H]1COCC[N@H+]1CCNc1ccc(C#N)cc1F ZINC000872771359 649481570 /nfs/dbraw/zinc/48/15/70/649481570.db2.gz HCUKZRYIYSIINF-ZDUSSCGKSA-N 1 2 277.343 2.220 20 30 CEEDLO CC(=O)Nc1ccc2c(C[NH2+][C@@H](C)CC#N)cc(=O)oc2c1 ZINC000878818101 651192176 /nfs/dbraw/zinc/19/21/76/651192176.db2.gz LCQIZBYOHZGRMZ-JTQLQIEISA-N 1 2 299.330 2.143 20 30 CEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000879282156 651275543 /nfs/dbraw/zinc/27/55/43/651275543.db2.gz DGSOBBFIBCZPJX-ZDUSSCGKSA-N 1 2 273.380 2.379 20 30 CEEDLO CN(C)c1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)ccn1 ZINC000879311825 651281873 /nfs/dbraw/zinc/28/18/73/651281873.db2.gz WMSYYIDQJZUIHX-ZIAGYGMSSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ccn1 ZINC000879311825 651281877 /nfs/dbraw/zinc/28/18/77/651281877.db2.gz WMSYYIDQJZUIHX-ZIAGYGMSSA-N 1 2 258.369 2.272 20 30 CEEDLO C=C(C)CN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879448744 651305130 /nfs/dbraw/zinc/30/51/30/651305130.db2.gz DDIJNYBQBHYBKG-UHFFFAOYSA-N 1 2 260.381 2.389 20 30 CEEDLO CC1(C)C[C@@H](O)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000879619906 651331202 /nfs/dbraw/zinc/33/12/02/651331202.db2.gz FORJEAIFJPVWDI-CQSZACIVSA-N 1 2 262.328 2.290 20 30 CEEDLO CC1(C)C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000879619906 651331203 /nfs/dbraw/zinc/33/12/03/651331203.db2.gz FORJEAIFJPVWDI-CQSZACIVSA-N 1 2 262.328 2.290 20 30 CEEDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCc1ccc(C#N)cc1 ZINC000879981507 651369390 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288.435 2.417 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001038899674 810942161 /nfs/dbraw/zinc/94/21/61/810942161.db2.gz BTPZKQZXPIFYLY-OAHLLOKOSA-N 1 2 293.370 2.119 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001038899674 810942168 /nfs/dbraw/zinc/94/21/68/810942168.db2.gz BTPZKQZXPIFYLY-OAHLLOKOSA-N 1 2 293.370 2.119 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001038937756 810950978 /nfs/dbraw/zinc/95/09/78/810950978.db2.gz CUCYWLADVYBPFO-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001038937756 810950986 /nfs/dbraw/zinc/95/09/86/810950986.db2.gz CUCYWLADVYBPFO-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001038950811 810953920 /nfs/dbraw/zinc/95/39/20/810953920.db2.gz RSZLLHJSHYHPLY-ZDUSSCGKSA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC001038950811 810953924 /nfs/dbraw/zinc/95/39/24/810953924.db2.gz RSZLLHJSHYHPLY-ZDUSSCGKSA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038960245 810957762 /nfs/dbraw/zinc/95/77/62/810957762.db2.gz KZEPNPFBGDSWOM-MRXNPFEDSA-N 1 2 270.376 2.247 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038960245 810957768 /nfs/dbraw/zinc/95/77/68/810957768.db2.gz KZEPNPFBGDSWOM-MRXNPFEDSA-N 1 2 270.376 2.247 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038978552 810963029 /nfs/dbraw/zinc/96/30/29/810963029.db2.gz FWJXPPCPJXLPID-MRXNPFEDSA-N 1 2 270.376 2.076 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038978552 810963032 /nfs/dbraw/zinc/96/30/32/810963032.db2.gz FWJXPPCPJXLPID-MRXNPFEDSA-N 1 2 270.376 2.076 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001039061985 810979474 /nfs/dbraw/zinc/97/94/74/810979474.db2.gz ZAMDPWZDWIDVLZ-NSHDSACASA-N 1 2 293.436 2.431 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C(C)(C)C)s1 ZINC001039061985 810979479 /nfs/dbraw/zinc/97/94/79/810979479.db2.gz ZAMDPWZDWIDVLZ-NSHDSACASA-N 1 2 293.436 2.431 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001108366052 811241159 /nfs/dbraw/zinc/24/11/59/811241159.db2.gz QHPHVLTZOARCSN-RHSMWYFYSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001108366052 811241171 /nfs/dbraw/zinc/24/11/71/811241171.db2.gz QHPHVLTZOARCSN-RHSMWYFYSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC001042765658 811327793 /nfs/dbraw/zinc/32/77/93/811327793.db2.gz DKVFOLDJEZDLFV-STQMWFEESA-N 1 2 250.386 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001043157455 811354551 /nfs/dbraw/zinc/35/45/51/811354551.db2.gz IXLMSFBKFHKWGA-IPYPFGDCSA-N 1 2 262.397 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001043201984 811357366 /nfs/dbraw/zinc/35/73/66/811357366.db2.gz REJCVCFLUNMKNP-UHFFFAOYSA-N 1 2 290.411 2.040 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001043426018 811372750 /nfs/dbraw/zinc/37/27/50/811372750.db2.gz JIOJJBFSFBRZFV-BTTYYORXSA-N 1 2 262.397 2.141 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001043502982 811381412 /nfs/dbraw/zinc/38/14/12/811381412.db2.gz OAOULKDIDHOHMS-UHFFFAOYSA-N 1 2 299.349 2.087 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001043998470 811425050 /nfs/dbraw/zinc/42/50/50/811425050.db2.gz HAIMJWRZAMAKJA-STQMWFEESA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001044071894 811436076 /nfs/dbraw/zinc/43/60/76/811436076.db2.gz YTVPXHRPDZEWTL-OAHLLOKOSA-N 1 2 284.403 2.435 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC001044121219 811441351 /nfs/dbraw/zinc/44/13/51/811441351.db2.gz LQASEZLEOVWSPF-ZBFHGGJFSA-N 1 2 264.413 2.387 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001044251803 811461690 /nfs/dbraw/zinc/46/16/90/811461690.db2.gz MEPICSNSSFESPR-UHFFFAOYSA-N 1 2 280.318 2.297 20 30 CEEDLO C=CCC[NH+]1CC(N(C)C(=O)c2sc(C)nc2C)C1 ZINC001044274826 811464967 /nfs/dbraw/zinc/46/49/67/811464967.db2.gz JFHHXYMBXDZICK-UHFFFAOYSA-N 1 2 279.409 2.092 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001044319291 811471164 /nfs/dbraw/zinc/47/11/64/811471164.db2.gz VDTNKDDOZYIGBQ-GFCCVEGCSA-N 1 2 276.355 2.258 20 30 CEEDLO N#CCc1ccc(NCC2CCC3(CCC(=O)N3)CC2)[nH+]c1 ZINC001169288679 811474418 /nfs/dbraw/zinc/47/44/18/811474418.db2.gz ZQWPUKDCQQDALW-UHFFFAOYSA-N 1 2 298.390 2.399 20 30 CEEDLO N#C[C@H]1C[NH2+]CCN1c1cc(F)cc2ccc(Cl)nc21 ZINC001156320127 811514888 /nfs/dbraw/zinc/51/48/88/811514888.db2.gz RKUFSCFYBWXQLZ-NSHDSACASA-N 1 2 290.729 2.329 20 30 CEEDLO C[C@@H](CCCC#N)N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001172500877 815455690 /nfs/dbraw/zinc/45/56/90/815455690.db2.gz BRQWLXXUTVPWAQ-HNNXBMFYSA-N 1 2 286.423 2.469 20 30 CEEDLO CCOC(=O)N1CCC[C@@H]([NH2+][C@@](C)(C#N)CC)CC1 ZINC001169660024 811610971 /nfs/dbraw/zinc/61/09/71/811610971.db2.gz WIALBUHVUXYIDK-TZMCWYRMSA-N 1 2 267.373 2.279 20 30 CEEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562939 815462419 /nfs/dbraw/zinc/46/24/19/815462419.db2.gz JODCPAAJNQHVQU-OAGGEKHMSA-N 1 2 255.365 2.120 20 30 CEEDLO CC(C)[C@@](C)(Nc1[nH+]ccc2ccc(C#N)cc21)C(N)=O ZINC001156648242 811862554 /nfs/dbraw/zinc/86/25/54/811862554.db2.gz NAJSRYCFMHWZFJ-MRXNPFEDSA-N 1 2 282.347 2.418 20 30 CEEDLO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(C#N)CCC2)CC1 ZINC001172766179 815512712 /nfs/dbraw/zinc/51/27/12/815512712.db2.gz KWXCKYSHWXRZHE-NEPJUHHUSA-N 1 2 250.342 2.144 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CCC)CCC2)CC1 ZINC001113229431 812188919 /nfs/dbraw/zinc/18/89/19/812188919.db2.gz JRJKLECPFDTXST-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC001113371529 812228922 /nfs/dbraw/zinc/22/89/22/812228922.db2.gz RYYPPLNYVKBGNA-UHFFFAOYSA-N 1 2 264.291 2.049 20 30 CEEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097091241 812325563 /nfs/dbraw/zinc/32/55/63/812325563.db2.gz XVUNZCAWTFTCOQ-XCCSTKFXSA-N 1 2 288.395 2.302 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113817712 812358971 /nfs/dbraw/zinc/35/89/71/812358971.db2.gz PMVHVNDUUFNXLF-GFCCVEGCSA-N 1 2 290.411 2.328 20 30 CEEDLO C[C@@H](Cc1ccccc1Cl)N1CC[NH2+]C[C@@H]1C#N ZINC001170276447 812370382 /nfs/dbraw/zinc/37/03/82/812370382.db2.gz NPQSFLOBIOMBGK-AAEUAGOBSA-N 1 2 263.772 2.068 20 30 CEEDLO Cc1c[nH+]c(CCNc2cc(C#N)nc(C)n2)c(C)c1 ZINC000689502768 812476974 /nfs/dbraw/zinc/47/69/74/812476974.db2.gz IIXZUMMZQZYUPL-UHFFFAOYSA-N 1 2 267.336 2.323 20 30 CEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccon1 ZINC001054034695 812523469 /nfs/dbraw/zinc/52/34/69/812523469.db2.gz WCOVAOGUKCRADI-HNNXBMFYSA-N 1 2 297.358 2.017 20 30 CEEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccon1 ZINC001054034695 812523474 /nfs/dbraw/zinc/52/34/74/812523474.db2.gz WCOVAOGUKCRADI-HNNXBMFYSA-N 1 2 297.358 2.017 20 30 CEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC(C)C1 ZINC001054036085 812523622 /nfs/dbraw/zinc/52/36/22/812523622.db2.gz BSCAPDOTQYTUFT-UYJHFMRCSA-N 1 2 296.414 2.209 20 30 CEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC(C)C1 ZINC001054036085 812523626 /nfs/dbraw/zinc/52/36/26/812523626.db2.gz BSCAPDOTQYTUFT-UYJHFMRCSA-N 1 2 296.414 2.209 20 30 CEEDLO Cc1c(CN(CCC#N)CCC#N)[nH+]c2ccccn12 ZINC001137274381 812564107 /nfs/dbraw/zinc/56/41/07/812564107.db2.gz SEBGWXGQIDAIRT-UHFFFAOYSA-N 1 2 267.336 2.272 20 30 CEEDLO C=CCOC(=O)N1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137332372 812690501 /nfs/dbraw/zinc/69/05/01/812690501.db2.gz RJHRJHLRMNMJGN-UHFFFAOYSA-N 1 2 277.368 2.072 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCSC)CC[C@H]1C ZINC001131780195 812728156 /nfs/dbraw/zinc/72/81/56/812728156.db2.gz NRJVMSMMLAHBNO-VXGBXAGGSA-N 1 2 290.860 2.461 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCSC)CC[C@H]1C ZINC001131780195 812728160 /nfs/dbraw/zinc/72/81/60/812728160.db2.gz NRJVMSMMLAHBNO-VXGBXAGGSA-N 1 2 290.860 2.461 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCCC)CC[C@H]1C ZINC001131882214 812749831 /nfs/dbraw/zinc/74/98/31/812749831.db2.gz VDBXPRGDNSQMBT-OLZOCXBDSA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCCC)CC[C@H]1C ZINC001131882214 812749835 /nfs/dbraw/zinc/74/98/35/812749835.db2.gz VDBXPRGDNSQMBT-OLZOCXBDSA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CF)CC2)CC[C@H]1C ZINC001132291356 812826122 /nfs/dbraw/zinc/82/61/22/812826122.db2.gz JWKFMXWXMBPGFC-VXGBXAGGSA-N 1 2 288.794 2.458 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CF)CC2)CC[C@H]1C ZINC001132291356 812826127 /nfs/dbraw/zinc/82/61/27/812826127.db2.gz JWKFMXWXMBPGFC-VXGBXAGGSA-N 1 2 288.794 2.458 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001132304316 812826906 /nfs/dbraw/zinc/82/69/06/812826906.db2.gz MKWGRQLFQYNTCW-LBPRGKRZSA-N 1 2 279.384 2.352 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001050835347 812871471 /nfs/dbraw/zinc/87/14/71/812871471.db2.gz DQZWJDWVEFDRLV-INIZCTEOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001050835347 812871477 /nfs/dbraw/zinc/87/14/77/812871477.db2.gz DQZWJDWVEFDRLV-INIZCTEOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098505735 813927615 /nfs/dbraw/zinc/92/76/15/813927615.db2.gz NNRUEQRSDBWHST-CYBMUJFWSA-N 1 2 274.368 2.012 20 30 CEEDLO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001144079490 813950113 /nfs/dbraw/zinc/95/01/13/813950113.db2.gz ODPAOTPFYMAIDF-HNNXBMFYSA-N 1 2 265.320 2.080 20 30 CEEDLO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001144079490 813950121 /nfs/dbraw/zinc/95/01/21/813950121.db2.gz ODPAOTPFYMAIDF-HNNXBMFYSA-N 1 2 265.320 2.080 20 30 CEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091003941 813986627 /nfs/dbraw/zinc/98/66/27/813986627.db2.gz AMJXLKLYYHNBKV-TZMCWYRMSA-N 1 2 288.395 2.400 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099617081 814016668 /nfs/dbraw/zinc/01/66/68/814016668.db2.gz PPZLACSZSJNFII-NSHDSACASA-N 1 2 276.384 2.304 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171178153 814058767 /nfs/dbraw/zinc/05/87/67/814058767.db2.gz CVLBUEZPZNJSCJ-OLZOCXBDSA-N 1 2 274.364 2.419 20 30 CEEDLO C[C@H](Cc1cccc(C#N)c1)N1CC[NH2+]CC(F)(F)C1 ZINC001171209955 814160231 /nfs/dbraw/zinc/16/02/31/814160231.db2.gz NQIKULHZRVKJAG-GFCCVEGCSA-N 1 2 279.334 2.030 20 30 CEEDLO COc1cccc(C[N@H+](C)Cn2ccc(C)c(C#N)c2=O)c1 ZINC000758182292 814228556 /nfs/dbraw/zinc/22/85/56/814228556.db2.gz SRMUGHDGNISMOD-UHFFFAOYSA-N 1 2 297.358 2.127 20 30 CEEDLO COc1cccc(C[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)c1 ZINC000758182292 814228563 /nfs/dbraw/zinc/22/85/63/814228563.db2.gz SRMUGHDGNISMOD-UHFFFAOYSA-N 1 2 297.358 2.127 20 30 CEEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cccc3[nH]cc(F)c32)cc1 ZINC001171258537 814238809 /nfs/dbraw/zinc/23/88/09/814238809.db2.gz 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289.298 2.391 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C#N)nc2ccccc21 ZINC000589558985 345086455 /nfs/dbraw/zinc/08/64/55/345086455.db2.gz SSAILJQYLBUGPK-GFCCVEGCSA-N 1 2 277.331 2.225 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)CC2(C#N)CC2)c[nH+]1 ZINC000590157854 345118480 /nfs/dbraw/zinc/11/84/80/345118480.db2.gz WVKTVOBUAGGZNJ-UHFFFAOYSA-N 1 2 286.379 2.238 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000591016828 345212311 /nfs/dbraw/zinc/21/23/11/345212311.db2.gz VWSQPPZCMLELSM-GFCCVEGCSA-N 1 2 299.378 2.238 20 30 CEEDLO CC(C)(C)c1csc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592151842 345330794 /nfs/dbraw/zinc/33/07/94/345330794.db2.gz RXHJINSWKGNWFM-AWEZNQCLSA-N 1 2 279.409 2.291 20 30 CEEDLO CC(C)(C)c1csc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592151842 345330796 /nfs/dbraw/zinc/33/07/96/345330796.db2.gz RXHJINSWKGNWFM-AWEZNQCLSA-N 1 2 279.409 2.291 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000592152782 345330892 /nfs/dbraw/zinc/33/08/92/345330892.db2.gz 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/nfs/dbraw/zinc/44/77/59/345447759.db2.gz XAQDCUHZQMEZSP-ZDUSSCGKSA-N 1 2 277.349 2.068 20 30 CEEDLO CC[C@H](C#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000593470214 345492942 /nfs/dbraw/zinc/49/29/42/345492942.db2.gz QUHBVXRREQZKHA-MFKMUULPSA-N 1 2 295.333 2.233 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000057754904 362595232 /nfs/dbraw/zinc/59/52/32/362595232.db2.gz ZWLWWBJRGAXDKI-JTQLQIEISA-N 1 2 270.174 2.498 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000057754904 362595238 /nfs/dbraw/zinc/59/52/38/362595238.db2.gz ZWLWWBJRGAXDKI-JTQLQIEISA-N 1 2 270.174 2.498 20 30 CEEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000593534538 345504866 /nfs/dbraw/zinc/50/48/66/345504866.db2.gz CQEKXHYWXFMQPL-AWEZNQCLSA-N 1 2 289.354 2.020 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593413352 345479618 /nfs/dbraw/zinc/47/96/18/345479618.db2.gz ZYYPCSFBDNOTNT-UHFFFAOYSA-N 1 2 295.346 2.000 20 30 CEEDLO CC[C@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000593897080 345549377 /nfs/dbraw/zinc/54/93/77/345549377.db2.gz ODNKOZIDRCTGGE-MGPQQGTHSA-N 1 2 286.379 2.471 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1F ZINC000594024503 345569101 /nfs/dbraw/zinc/56/91/01/345569101.db2.gz KWFDNMXZASSWNF-CQSZACIVSA-N 1 2 299.296 2.337 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)CCCCC#N)CC1(C)C ZINC000594036264 345570583 /nfs/dbraw/zinc/57/05/83/345570583.db2.gz LSYZLCSKFYTNFH-ZDUSSCGKSA-N 1 2 274.368 2.414 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000594348060 345615232 /nfs/dbraw/zinc/61/52/32/345615232.db2.gz PJHBXWDNTOEJKF-BZNIZROVSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000594348060 345615236 /nfs/dbraw/zinc/61/52/36/345615236.db2.gz PJHBXWDNTOEJKF-BZNIZROVSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1[nH]cc[nH+]1 ZINC000594421022 345624550 /nfs/dbraw/zinc/62/45/50/345624550.db2.gz GZTWCCHSRYKYCE-LLVKDONJSA-N 1 2 280.331 2.190 20 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ZXBHGBDMVUPSRB-GFCCVEGCSA-N 1 2 252.358 2.486 20 30 CEEDLO CCOC(=O)CCCCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595711404 345857653 /nfs/dbraw/zinc/85/76/53/345857653.db2.gz ZXBHGBDMVUPSRB-GFCCVEGCSA-N 1 2 252.358 2.486 20 30 CEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833009 345890244 /nfs/dbraw/zinc/89/02/44/345890244.db2.gz DWLGVOHYXBIGKW-BBRMVZONSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833009 345890249 /nfs/dbraw/zinc/89/02/49/345890249.db2.gz DWLGVOHYXBIGKW-BBRMVZONSA-N 1 2 277.412 2.402 20 30 CEEDLO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000595836352 345891956 /nfs/dbraw/zinc/89/19/56/345891956.db2.gz YMEPTFYAPWYIPQ-DZGCQCFKSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000595836352 345891958 /nfs/dbraw/zinc/89/19/58/345891958.db2.gz YMEPTFYAPWYIPQ-DZGCQCFKSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)(C)CN1CCC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595843717 345896117 /nfs/dbraw/zinc/89/61/17/345896117.db2.gz MSICSPYIIVAQLA-XJKSGUPXSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)(C)CN1CCC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595843717 345896121 /nfs/dbraw/zinc/89/61/21/345896121.db2.gz MSICSPYIIVAQLA-XJKSGUPXSA-N 1 2 277.412 2.259 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)C#N ZINC000595817263 345884429 /nfs/dbraw/zinc/88/44/29/345884429.db2.gz INSLIXUVLJUHHU-LBPRGKRZSA-N 1 2 270.336 2.121 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)C#N ZINC000595817263 345884433 /nfs/dbraw/zinc/88/44/33/345884433.db2.gz INSLIXUVLJUHHU-LBPRGKRZSA-N 1 2 270.336 2.121 20 30 CEEDLO CCN(CCc1[nH+]c2ccccc2n1C)[C@@H](C)C#N ZINC000595818703 345885161 /nfs/dbraw/zinc/88/51/61/345885161.db2.gz XHPWAXKQZQTTDU-LBPRGKRZSA-N 1 2 256.353 2.350 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000595845048 345897160 /nfs/dbraw/zinc/89/71/60/345897160.db2.gz XSEZJOLXMOOFED-ZBFHGGJFSA-N 1 2 269.348 2.175 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000595845048 345897162 /nfs/dbraw/zinc/89/71/62/345897162.db2.gz XSEZJOLXMOOFED-ZBFHGGJFSA-N 1 2 269.348 2.175 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNc1c(C#N)cnn1C ZINC000596063738 345931092 /nfs/dbraw/zinc/93/10/92/345931092.db2.gz RTMWDNXYKCFWRT-UHFFFAOYSA-N 1 2 280.335 2.062 20 30 CEEDLO Cc1ccc(C2CCN(c3c(C#N)cnn3C)CC2)c[nH+]1 ZINC000596190298 345965583 /nfs/dbraw/zinc/96/55/83/345965583.db2.gz RGJUBZQLIDGNHZ-UHFFFAOYSA-N 1 2 281.363 2.379 20 30 CEEDLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)c(C#N)cc1[N+](=O)[O-] ZINC000596236260 345976289 /nfs/dbraw/zinc/97/62/89/345976289.db2.gz FRESHZLFWLVHEJ-UHFFFAOYSA-N 1 2 283.291 2.061 20 30 CEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c(F)cc(C#N)cc1F ZINC000596426533 346020390 /nfs/dbraw/zinc/02/03/90/346020390.db2.gz BOJFOTSAACMUID-MNOVXSKESA-N 1 2 295.333 2.358 20 30 CEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c(F)cc(C#N)cc1F ZINC000596426533 346020392 /nfs/dbraw/zinc/02/03/92/346020392.db2.gz BOJFOTSAACMUID-MNOVXSKESA-N 1 2 295.333 2.358 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2Cl)[C@H](C)CO1 ZINC000596430352 346021922 /nfs/dbraw/zinc/02/19/22/346021922.db2.gz LXDKLMJJNGBJFS-GHMZBOCLSA-N 1 2 294.786 2.128 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2Cl)[C@H](C)CO1 ZINC000596430352 346021923 /nfs/dbraw/zinc/02/19/23/346021923.db2.gz LXDKLMJJNGBJFS-GHMZBOCLSA-N 1 2 294.786 2.128 20 30 CEEDLO Cc1cccc(NC(=O)N2CC[NH+](CCCC#N)CC2)c1 ZINC000097472853 185611923 /nfs/dbraw/zinc/61/19/23/185611923.db2.gz UFTHVQLMGJULRQ-UHFFFAOYSA-N 1 2 286.379 2.448 20 30 CEEDLO C[C@@H](CC#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000596908699 346104668 /nfs/dbraw/zinc/10/46/68/346104668.db2.gz PPJIYBZTQBNKIP-ZDUSSCGKSA-N 1 2 287.363 2.007 20 30 CEEDLO Cn1ncc(C(F)(F)F)c1C[NH2+]CC1(C#N)CCC1 ZINC000597156366 346137481 /nfs/dbraw/zinc/13/74/81/346137481.db2.gz ZEYJVLUPGKREEH-UHFFFAOYSA-N 1 2 272.274 2.222 20 30 CEEDLO N#CCC1CN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000597192994 346145711 /nfs/dbraw/zinc/14/57/11/346145711.db2.gz CBFSZVIARWGQHL-UHFFFAOYSA-N 1 2 260.728 2.333 20 30 CEEDLO COCCOc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597228871 346155341 /nfs/dbraw/zinc/15/53/41/346155341.db2.gz HPFFNCSCKMLRON-INIZCTEOSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597228871 346155344 /nfs/dbraw/zinc/15/53/44/346155344.db2.gz HPFFNCSCKMLRON-INIZCTEOSA-N 1 2 274.364 2.447 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cc(C#N)ccc21 ZINC000597776797 346229315 /nfs/dbraw/zinc/22/93/15/346229315.db2.gz MROYQOAGZBVOCS-LLVKDONJSA-N 1 2 280.331 2.049 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2cc(C#N)ccc21 ZINC000597776797 346229320 /nfs/dbraw/zinc/22/93/20/346229320.db2.gz MROYQOAGZBVOCS-LLVKDONJSA-N 1 2 280.331 2.049 20 30 CEEDLO C=CCCSCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000597973811 346261440 /nfs/dbraw/zinc/26/14/40/346261440.db2.gz OHADQZJZGFUYNX-LLVKDONJSA-N 1 2 267.398 2.014 20 30 CEEDLO C=CCCSCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000597973811 346261441 /nfs/dbraw/zinc/26/14/41/346261441.db2.gz OHADQZJZGFUYNX-LLVKDONJSA-N 1 2 267.398 2.014 20 30 CEEDLO N#CC1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC000598315061 346324638 /nfs/dbraw/zinc/32/46/38/346324638.db2.gz HGQITSJVSLNKQQ-CYBMUJFWSA-N 1 2 286.379 2.036 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000598591932 346379293 /nfs/dbraw/zinc/37/92/93/346379293.db2.gz CCTUKIRBNNIQSN-OAHLLOKOSA-N 1 2 286.379 2.098 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000598591932 346379296 /nfs/dbraw/zinc/37/92/96/346379296.db2.gz CCTUKIRBNNIQSN-OAHLLOKOSA-N 1 2 286.379 2.098 20 30 CEEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592163 346379343 /nfs/dbraw/zinc/37/93/43/346379343.db2.gz GNDMTJSCFFAZAG-KBPBESRZSA-N 1 2 292.379 2.262 20 30 CEEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592163 346379345 /nfs/dbraw/zinc/37/93/45/346379345.db2.gz GNDMTJSCFFAZAG-KBPBESRZSA-N 1 2 292.379 2.262 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C)c(C#N)c1)CC2 ZINC000599357922 346505311 /nfs/dbraw/zinc/50/53/11/346505311.db2.gz YJFAROOBAQHFRW-UHFFFAOYSA-N 1 2 266.348 2.387 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599323456 346499145 /nfs/dbraw/zinc/49/91/45/346499145.db2.gz ZIVURNWAQKKXEG-CYBMUJFWSA-N 1 2 274.368 2.377 20 30 CEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)CC)Cc1cccc(C#N)c1 ZINC000063300744 362763971 /nfs/dbraw/zinc/76/39/71/362763971.db2.gz DZFYRSRHIZNGKS-AWEZNQCLSA-N 1 2 285.391 2.461 20 30 CEEDLO C=CC[N@H+](CC(=O)N[C@@H](C)CC)Cc1cccc(C#N)c1 ZINC000063300744 362763978 /nfs/dbraw/zinc/76/39/78/362763978.db2.gz DZFYRSRHIZNGKS-AWEZNQCLSA-N 1 2 285.391 2.461 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000599475611 346525971 /nfs/dbraw/zinc/52/59/71/346525971.db2.gz UORXHLSYMZMLEI-GOEBONIOSA-N 1 2 275.396 2.156 20 30 CEEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000599475611 346525974 /nfs/dbraw/zinc/52/59/74/346525974.db2.gz UORXHLSYMZMLEI-GOEBONIOSA-N 1 2 275.396 2.156 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC#N)C1CCCC1)CC2 ZINC000599538695 346534218 /nfs/dbraw/zinc/53/42/18/346534218.db2.gz WBDWBELRBAUDQJ-ZDUSSCGKSA-N 1 2 286.379 2.049 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599579341 346541328 /nfs/dbraw/zinc/54/13/28/346541328.db2.gz BIZNLXIBMNYSAV-FRRDWIJNSA-N 1 2 297.395 2.014 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599579341 346541329 /nfs/dbraw/zinc/54/13/29/346541329.db2.gz BIZNLXIBMNYSAV-FRRDWIJNSA-N 1 2 297.395 2.014 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cccc(CC#N)c1)CC2 ZINC000599992367 346590188 /nfs/dbraw/zinc/59/01/88/346590188.db2.gz KYCCGTBKCAXZGA-CQSZACIVSA-N 1 2 294.358 2.459 20 30 CEEDLO Cc1c[nH]c(CN2CCN([C@H](C#N)c3ccccc3)CC2)[nH+]1 ZINC000600105969 346597738 /nfs/dbraw/zinc/59/77/38/346597738.db2.gz GBGLZCLMANBBQM-MRXNPFEDSA-N 1 2 295.390 2.101 20 30 CEEDLO Cc1c[nH]c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000600112241 346599533 /nfs/dbraw/zinc/59/95/33/346599533.db2.gz VFYZNLGTDJBMIS-UHFFFAOYSA-N 1 2 295.390 2.302 20 30 CEEDLO Cc1c[nH]c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000600112241 346599534 /nfs/dbraw/zinc/59/95/34/346599534.db2.gz VFYZNLGTDJBMIS-UHFFFAOYSA-N 1 2 295.390 2.302 20 30 CEEDLO CCC(F)(F)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000600761551 346685548 /nfs/dbraw/zinc/68/55/48/346685548.db2.gz LBNAHMPQGXOYTQ-ZDUSSCGKSA-N 1 2 298.333 2.127 20 30 CEEDLO COc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1C#N ZINC000600789469 346690771 /nfs/dbraw/zinc/69/07/71/346690771.db2.gz RACYWESIFFRYAS-UHFFFAOYSA-N 1 2 297.358 2.235 20 30 CEEDLO Cn1c[nH+]c2cc(Nc3cc(C#N)nc(C4CC4)n3)ccc21 ZINC000601125097 346760792 /nfs/dbraw/zinc/76/07/92/346760792.db2.gz LFIXOZVHKBYPDS-UHFFFAOYSA-N 1 2 290.330 2.278 20 30 CEEDLO Cc1cc(NC[C@@H]2C[C@H]2c2cccnc2)c(C#N)c[nH+]1 ZINC000601192560 346782732 /nfs/dbraw/zinc/78/27/32/346782732.db2.gz WXXGVOVZLJZUEU-ZFWWWQNUSA-N 1 2 264.332 2.294 20 30 CEEDLO C[C@@H]1OCC[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000602779810 347195164 /nfs/dbraw/zinc/19/51/64/347195164.db2.gz RZOUDXKXHYCSBG-KBPBESRZSA-N 1 2 259.353 2.222 20 30 CEEDLO C[C@@H]1OCC[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000602779810 347195167 /nfs/dbraw/zinc/19/51/67/347195167.db2.gz RZOUDXKXHYCSBG-KBPBESRZSA-N 1 2 259.353 2.222 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)C(=O)OC ZINC000602739007 347180287 /nfs/dbraw/zinc/18/02/87/347180287.db2.gz OEKAZRBEMYWPSJ-FRRDWIJNSA-N 1 2 255.358 2.041 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000602940311 347252406 /nfs/dbraw/zinc/25/24/06/347252406.db2.gz FHAIQZPJRDNKBY-UHFFFAOYSA-N 1 2 276.384 2.251 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000602940311 347252407 /nfs/dbraw/zinc/25/24/07/347252407.db2.gz FHAIQZPJRDNKBY-UHFFFAOYSA-N 1 2 276.384 2.251 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000602940479 347252504 /nfs/dbraw/zinc/25/25/04/347252504.db2.gz GLGGOUQQEQTUTL-UHFFFAOYSA-N 1 2 285.307 2.130 20 30 CEEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000602940479 347252505 /nfs/dbraw/zinc/25/25/05/347252505.db2.gz GLGGOUQQEQTUTL-UHFFFAOYSA-N 1 2 285.307 2.130 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cc(C(C)(C)C)on2)C[C@@H](C)N1CC#N ZINC000602856360 347227005 /nfs/dbraw/zinc/22/70/05/347227005.db2.gz ZMYFKXCHZISZCZ-CHWSQXEVSA-N 1 2 290.411 2.390 20 30 CEEDLO CCc1nc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602857778 347227425 /nfs/dbraw/zinc/22/74/25/347227425.db2.gz UXMZVJXMIQLATC-RYUDHWBXSA-N 1 2 278.425 2.124 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H](C)N1CC#N ZINC000602856359 347227466 /nfs/dbraw/zinc/22/74/66/347227466.db2.gz ZMYFKXCHZISZCZ-BETUJISGSA-N 1 2 290.411 2.390 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H](C)N1CC#N ZINC000602856359 347227468 /nfs/dbraw/zinc/22/74/68/347227468.db2.gz ZMYFKXCHZISZCZ-BETUJISGSA-N 1 2 290.411 2.390 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000602861320 347229063 /nfs/dbraw/zinc/22/90/63/347229063.db2.gz GZVFHNMNJQXWDO-IUCAKERBSA-N 1 2 267.279 2.184 20 30 CEEDLO CC(C)N(C(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602862891 347229652 /nfs/dbraw/zinc/22/96/52/347229652.db2.gz KPFIEUWNPUJMNN-ZDUSSCGKSA-N 1 2 259.353 2.320 20 30 CEEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602863761 347229805 /nfs/dbraw/zinc/22/98/05/347229805.db2.gz PNHDDZCKDIKLTN-WDEREUQCSA-N 1 2 263.316 2.353 20 30 CEEDLO CCN(C(=O)C[NH2+][C@H](C)CC#N)C1CCCCC1 ZINC000602866216 347231111 /nfs/dbraw/zinc/23/11/11/347231111.db2.gz ZCWLBIRNEDELAG-GFCCVEGCSA-N 1 2 251.374 2.059 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000602869748 347231991 /nfs/dbraw/zinc/23/19/91/347231991.db2.gz HTLUQYUXENNOKB-MRVPVSSYSA-N 1 2 269.707 2.309 20 30 CEEDLO Cc1cc(CNC(=O)Nc2cc(C)c(C#N)cn2)cc(C)[nH+]1 ZINC000603136888 347294958 /nfs/dbraw/zinc/29/49/58/347294958.db2.gz PJXBFQJHOJIKPW-UHFFFAOYSA-N 1 2 295.346 2.017 20 30 CEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000603018567 347273548 /nfs/dbraw/zinc/27/35/48/347273548.db2.gz JYRUYOWRHWPILC-CQSZACIVSA-N 1 2 295.333 2.188 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)CC(C)C ZINC000608824486 347621239 /nfs/dbraw/zinc/62/12/39/347621239.db2.gz OIPHJGIAQIZNAT-ZDUSSCGKSA-N 1 2 284.363 2.399 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000609030869 347625828 /nfs/dbraw/zinc/62/58/28/347625828.db2.gz QJIKQAPJSUUNFX-GFCCVEGCSA-N 1 2 271.364 2.313 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000609030869 347625831 /nfs/dbraw/zinc/62/58/31/347625831.db2.gz QJIKQAPJSUUNFX-GFCCVEGCSA-N 1 2 271.364 2.313 20 30 CEEDLO C[C@@H](CC#N)NCc1[nH+]ccn1Cc1ccccc1 ZINC000610366526 347676047 /nfs/dbraw/zinc/67/60/47/347676047.db2.gz HWUJHGVXCRSEFG-ZDUSSCGKSA-N 1 2 254.337 2.323 20 30 CEEDLO N#Cc1cccc(CC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000610521731 347689019 /nfs/dbraw/zinc/68/90/19/347689019.db2.gz OLUZXRHHWWCYDP-UHFFFAOYSA-N 1 2 276.299 2.387 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000611465716 347781795 /nfs/dbraw/zinc/78/17/95/347781795.db2.gz FJAUDCNKZUFTCR-TVQRCGJNSA-N 1 2 295.745 2.476 20 30 CEEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC1(C#N)CC1)C2 ZINC000611429233 347778601 /nfs/dbraw/zinc/77/86/01/347778601.db2.gz NELILVBOMIMECQ-UHFFFAOYSA-N 1 2 269.348 2.307 20 30 CEEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC1(C#N)CC1)C2 ZINC000611429233 347778605 /nfs/dbraw/zinc/77/86/05/347778605.db2.gz NELILVBOMIMECQ-UHFFFAOYSA-N 1 2 269.348 2.307 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1(C#N)CC(C)C1)CCC2 ZINC000611041883 347734960 /nfs/dbraw/zinc/73/49/60/347734960.db2.gz NYLSXSVFZCFMMO-ULKWEWGCSA-N 1 2 286.379 2.125 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000611181509 347749053 /nfs/dbraw/zinc/74/90/53/347749053.db2.gz ILXDUUUYHQFPIF-YPMHNXCESA-N 1 2 275.327 2.213 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000611237200 347755532 /nfs/dbraw/zinc/75/55/32/347755532.db2.gz BCFLVYGTYROZAQ-QWRGUYRKSA-N 1 2 285.413 2.253 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000611237200 347755536 /nfs/dbraw/zinc/75/55/36/347755536.db2.gz BCFLVYGTYROZAQ-QWRGUYRKSA-N 1 2 285.413 2.253 20 30 CEEDLO N#CCN1CC[NH+](Cc2cscc2Cl)CC1 ZINC000611267979 347760885 /nfs/dbraw/zinc/76/08/85/347760885.db2.gz OVNQVUCNHTXUHS-UHFFFAOYSA-N 1 2 255.774 2.043 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1cc(C#N)cs1)CC2 ZINC000611983896 347831313 /nfs/dbraw/zinc/83/13/13/347831313.db2.gz ULWTVABELQAYTE-UHFFFAOYSA-N 1 2 258.350 2.141 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000612161831 347851422 /nfs/dbraw/zinc/85/14/22/347851422.db2.gz FPMMEMWIECDSQS-GOSISDBHSA-N 1 2 297.402 2.197 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000612161831 347851424 /nfs/dbraw/zinc/85/14/24/347851424.db2.gz FPMMEMWIECDSQS-GOSISDBHSA-N 1 2 297.402 2.197 20 30 CEEDLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163726 347852329 /nfs/dbraw/zinc/85/23/29/347852329.db2.gz ZMKGSCJUVXRVAW-HOCLYGCPSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163726 347852332 /nfs/dbraw/zinc/85/23/32/347852332.db2.gz ZMKGSCJUVXRVAW-HOCLYGCPSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612166252 347852770 /nfs/dbraw/zinc/85/27/70/347852770.db2.gz RKQNJYQOENGGPZ-CXAGYDPISA-N 1 2 289.423 2.402 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000612166252 347852774 /nfs/dbraw/zinc/85/27/74/347852774.db2.gz RKQNJYQOENGGPZ-CXAGYDPISA-N 1 2 289.423 2.402 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2CC(O)C2)c1C#N ZINC000612740970 347922337 /nfs/dbraw/zinc/92/23/37/347922337.db2.gz FXYBPEXPEAKENM-UHFFFAOYSA-N 1 2 296.374 2.008 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C2CC(O)C2)c1C#N ZINC000612740970 347922340 /nfs/dbraw/zinc/92/23/40/347922340.db2.gz FXYBPEXPEAKENM-UHFFFAOYSA-N 1 2 296.374 2.008 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613276103 348015366 /nfs/dbraw/zinc/01/53/66/348015366.db2.gz YYWNTCLQZUTMBY-RYUDHWBXSA-N 1 2 261.369 2.376 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613276103 348015368 /nfs/dbraw/zinc/01/53/68/348015368.db2.gz YYWNTCLQZUTMBY-RYUDHWBXSA-N 1 2 261.369 2.376 20 30 CEEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000614396694 348192777 /nfs/dbraw/zinc/19/27/77/348192777.db2.gz IHUSJVXXCAKLCT-UHFFFAOYSA-N 1 2 279.334 2.249 20 30 CEEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000066539986 362872654 /nfs/dbraw/zinc/87/26/54/362872654.db2.gz NWRWQXUMFALDEE-MRXNPFEDSA-N 1 2 296.374 2.335 20 30 CEEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000066539986 362872662 /nfs/dbraw/zinc/87/26/62/362872662.db2.gz NWRWQXUMFALDEE-MRXNPFEDSA-N 1 2 296.374 2.335 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000066939659 362894684 /nfs/dbraw/zinc/89/46/84/362894684.db2.gz MZOHZLPUXDYQHZ-OAHLLOKOSA-N 1 2 283.306 2.014 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000617778397 348788640 /nfs/dbraw/zinc/78/86/40/348788640.db2.gz FPMKNTYTVAYBOZ-UONOGXRCSA-N 1 2 273.380 2.260 20 30 CEEDLO C=CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H](C)COC ZINC000617584444 348745820 /nfs/dbraw/zinc/74/58/20/348745820.db2.gz CDXBAHZCQPUOJR-ZDUSSCGKSA-N 1 2 287.363 2.306 20 30 CEEDLO C=C[C@@H]([NH2+]CCc1c[nH]c2cccc(C)c12)C(=O)OC ZINC000619701349 349222185 /nfs/dbraw/zinc/22/21/85/349222185.db2.gz GLMSNLKJGKXCLC-CYBMUJFWSA-N 1 2 272.348 2.336 20 30 CEEDLO C=C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)C(=O)OC ZINC000619702415 349223273 /nfs/dbraw/zinc/22/32/73/349223273.db2.gz MHBVZUOXDLAAMW-AGIUHOORSA-N 1 2 269.385 2.145 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000619717193 349227011 /nfs/dbraw/zinc/22/70/11/349227011.db2.gz IOPVPMZWLMPWFM-HNNXBMFYSA-N 1 2 276.380 2.469 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000619717996 349227535 /nfs/dbraw/zinc/22/75/35/349227535.db2.gz IXBBGJZBAMTKCD-HNNXBMFYSA-N 1 2 293.338 2.397 20 30 CEEDLO Cc1nc(NCc2ccc(C#N)c(Cl)c2)cc[nH+]1 ZINC000619747363 349232328 /nfs/dbraw/zinc/23/23/28/349232328.db2.gz XAIHQBQWJYJFJV-UHFFFAOYSA-N 1 2 258.712 2.344 20 30 CEEDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000619810712 349238231 /nfs/dbraw/zinc/23/82/31/349238231.db2.gz OYSLNODJJJZMIT-UHFFFAOYSA-N 1 2 295.342 2.356 20 30 CEEDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000619810712 349238234 /nfs/dbraw/zinc/23/82/34/349238234.db2.gz OYSLNODJJJZMIT-UHFFFAOYSA-N 1 2 295.342 2.356 20 30 CEEDLO C=CCCOCCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604695 349398307 /nfs/dbraw/zinc/39/83/07/349398307.db2.gz VLMHPCSQPMGZGY-CYBMUJFWSA-N 1 2 279.384 2.360 20 30 CEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000273494093 192172836 /nfs/dbraw/zinc/17/28/36/192172836.db2.gz LEELROLGAHTLTK-CQSZACIVSA-N 1 2 292.379 2.066 20 30 CEEDLO CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)C[C@H](C)C#N 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C=CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OCC ZINC000110054380 186283871 /nfs/dbraw/zinc/28/38/71/186283871.db2.gz GOSGAPROGRTMLR-UHFFFAOYSA-N 1 2 292.335 2.188 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021105 350631505 /nfs/dbraw/zinc/63/15/05/350631505.db2.gz OIFJVUSCSWINHQ-UHFFFAOYSA-N 1 2 286.375 2.211 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021105 350631506 /nfs/dbraw/zinc/63/15/06/350631506.db2.gz OIFJVUSCSWINHQ-UHFFFAOYSA-N 1 2 286.375 2.211 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626687451 350769064 /nfs/dbraw/zinc/76/90/64/350769064.db2.gz UCDPXCSCISCVBO-UONOGXRCSA-N 1 2 273.380 2.321 20 30 CEEDLO C=CCCOCCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370106 350866090 /nfs/dbraw/zinc/86/60/90/350866090.db2.gz NWTIGDASOQKOOU-UHFFFAOYSA-N 1 2 277.368 2.057 20 30 CEEDLO C=CCCOCCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370106 350866091 /nfs/dbraw/zinc/86/60/91/350866091.db2.gz NWTIGDASOQKOOU-UHFFFAOYSA-N 1 2 277.368 2.057 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627623159 350895593 /nfs/dbraw/zinc/89/55/93/350895593.db2.gz RDKIQNKGXINXIL-GFCCVEGCSA-N 1 2 261.369 2.082 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C2CC(Oc3ccccc3)C2)nn1 ZINC000630608766 351807031 /nfs/dbraw/zinc/80/70/31/351807031.db2.gz FSFPQESKTMFGAG-UHFFFAOYSA-N 1 2 296.374 2.174 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)C1CC1 ZINC000271446213 191143168 /nfs/dbraw/zinc/14/31/68/191143168.db2.gz NDMJVJUEFFHURU-UHFFFAOYSA-N 1 2 294.424 2.425 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)C1CC1 ZINC000271446213 191143171 /nfs/dbraw/zinc/14/31/71/191143171.db2.gz NDMJVJUEFFHURU-UHFFFAOYSA-N 1 2 294.424 2.425 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1C)C[C@H](C)C#N ZINC000072031598 363119317 /nfs/dbraw/zinc/11/93/17/363119317.db2.gz SGNPVBGFLAQATM-CQSZACIVSA-N 1 2 287.407 2.435 20 30 CEEDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1C)C[C@H](C)C#N ZINC000072031598 363119319 /nfs/dbraw/zinc/11/93/19/363119319.db2.gz SGNPVBGFLAQATM-CQSZACIVSA-N 1 2 287.407 2.435 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072691780 363158297 /nfs/dbraw/zinc/15/82/97/363158297.db2.gz RYCYIDSTNGIGHO-INIZCTEOSA-N 1 2 290.411 2.057 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072691780 363158300 /nfs/dbraw/zinc/15/83/00/363158300.db2.gz RYCYIDSTNGIGHO-INIZCTEOSA-N 1 2 290.411 2.057 20 30 CEEDLO C#CC[N@H+](CC)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000271575924 191222652 /nfs/dbraw/zinc/22/26/52/191222652.db2.gz AWKOWKQMRUREMW-UHFFFAOYSA-N 1 2 279.405 2.114 20 30 CEEDLO C#CC[N@@H+](CC)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000271575924 191222655 /nfs/dbraw/zinc/22/26/55/191222655.db2.gz AWKOWKQMRUREMW-UHFFFAOYSA-N 1 2 279.405 2.114 20 30 CEEDLO C=CCN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000153588787 188091436 /nfs/dbraw/zinc/09/14/36/188091436.db2.gz IROQFTKNHYSHAZ-UHFFFAOYSA-N 1 2 272.352 2.172 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CCOCC2)cc1OC ZINC000154492548 188146094 /nfs/dbraw/zinc/14/60/94/188146094.db2.gz NYQMQUUWHJFTFG-UHFFFAOYSA-N 1 2 263.337 2.092 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156527029 188267500 /nfs/dbraw/zinc/26/75/00/188267500.db2.gz UJTVFPKBTONWCQ-STQMWFEESA-N 1 2 290.363 2.055 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156527029 188267502 /nfs/dbraw/zinc/26/75/02/188267502.db2.gz UJTVFPKBTONWCQ-STQMWFEESA-N 1 2 290.363 2.055 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000338190691 366228762 /nfs/dbraw/zinc/22/87/62/366228762.db2.gz FXODACFZTLUYKW-UHFFFAOYSA-N 1 2 294.358 2.494 20 30 CEEDLO COC(=O)C[N@H+](CCCSCC#N)Cc1ccccc1 ZINC000074989265 363431203 /nfs/dbraw/zinc/43/12/03/363431203.db2.gz OMXCYKFVSLQLOK-UHFFFAOYSA-N 1 2 292.404 2.308 20 30 CEEDLO COC(=O)C[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000074989265 363431208 /nfs/dbraw/zinc/43/12/08/363431208.db2.gz OMXCYKFVSLQLOK-UHFFFAOYSA-N 1 2 292.404 2.308 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273684019 192259987 /nfs/dbraw/zinc/25/99/87/192259987.db2.gz KTEYYEXXZFMLKC-WDEREUQCSA-N 1 2 294.424 2.086 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273684014 192261018 /nfs/dbraw/zinc/26/10/18/192261018.db2.gz KTEYYEXXZFMLKC-QWRGUYRKSA-N 1 2 294.424 2.086 20 30 CEEDLO C[N@@H+]1CCc2nc(NC(=O)C(F)(F)F)sc2C1 ZINC000041540802 283175283 /nfs/dbraw/zinc/17/52/83/283175283.db2.gz QZQRTSNTFDVNDD-UHFFFAOYSA-N 1 2 265.260 2.281 20 30 CEEDLO C[N@H+]1CCc2nc(NC(=O)C(F)(F)F)sc2C1 ZINC000041540802 283175284 /nfs/dbraw/zinc/17/52/84/283175284.db2.gz QZQRTSNTFDVNDD-UHFFFAOYSA-N 1 2 265.260 2.281 20 30 CEEDLO C[N@H+](CCC(F)(F)F)CC(=O)NCc1cccc(C#N)c1 ZINC000338258234 366258933 /nfs/dbraw/zinc/25/89/33/366258933.db2.gz ZHRXKGNNSRLOAX-UHFFFAOYSA-N 1 2 299.296 2.059 20 30 CEEDLO C[N@@H+](CCC(F)(F)F)CC(=O)NCc1cccc(C#N)c1 ZINC000338258234 366258935 /nfs/dbraw/zinc/25/89/35/366258935.db2.gz ZHRXKGNNSRLOAX-UHFFFAOYSA-N 1 2 299.296 2.059 20 30 CEEDLO CCC1(O)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000336307776 213148558 /nfs/dbraw/zinc/14/85/58/213148558.db2.gz BBSKVAPXOPZJGF-UHFFFAOYSA-N 1 2 262.328 2.434 20 30 CEEDLO C=C(C)CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000156259833 540324043 /nfs/dbraw/zinc/32/40/43/540324043.db2.gz UUNLYURUNXZIME-UHFFFAOYSA-N 1 2 272.352 2.061 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC/C=C\c1ccccc1 ZINC000578326955 366477498 /nfs/dbraw/zinc/47/74/98/366477498.db2.gz LPIWROQHYFNVHZ-GJBHZFNWSA-N 1 2 285.391 2.440 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697279 540485897 /nfs/dbraw/zinc/48/58/97/540485897.db2.gz BIPGCEBQAOGFIU-JTQLQIEISA-N 1 2 279.365 2.167 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697279 540485899 /nfs/dbraw/zinc/48/58/99/540485899.db2.gz BIPGCEBQAOGFIU-JTQLQIEISA-N 1 2 279.365 2.167 20 30 CEEDLO CC[C@@H](NC(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000139660844 366557496 /nfs/dbraw/zinc/55/74/96/366557496.db2.gz HQMHNZHFHLBNPB-GFCCVEGCSA-N 1 2 254.293 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20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CO ZINC000286708320 376041548 /nfs/dbraw/zinc/04/15/48/376041548.db2.gz CPJTXXFZEGZCDQ-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000286708320 376041554 /nfs/dbraw/zinc/04/15/54/376041554.db2.gz CPJTXXFZEGZCDQ-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO C=C(CC)C[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000419271138 376421717 /nfs/dbraw/zinc/42/17/17/376421717.db2.gz RXBOSLRZVIPFRU-AWEZNQCLSA-N 1 2 265.328 2.466 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CO)CC2)c1C ZINC000264223587 190097196 /nfs/dbraw/zinc/09/71/96/190097196.db2.gz QAQHVAGREJLTJK-UHFFFAOYSA-N 1 2 290.407 2.178 20 30 CEEDLO C#C[C@@H](C)Nc1nc(C)[nH+]c(C)c1Br ZINC000306488706 376548486 /nfs/dbraw/zinc/54/84/86/376548486.db2.gz KUZRQFGRPUNCEW-ZCFIWIBFSA-N 1 2 254.131 2.290 20 30 CEEDLO C#CCOc1cccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000264563515 190118757 /nfs/dbraw/zinc/11/87/57/190118757.db2.gz SIUBZVGLCVQWKH-ZDUSSCGKSA-N 1 2 298.346 2.105 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000560272062 376727884 /nfs/dbraw/zinc/72/78/84/376727884.db2.gz UOWATEFEAOVNON-GFCCVEGCSA-N 1 2 283.335 2.112 20 30 CEEDLO C=CCC(C)(C)c1noc([C@H]2C[N@H+](CC)CCO2)n1 ZINC000420506522 376689082 /nfs/dbraw/zinc/68/90/82/376689082.db2.gz UOPJSYPIIMJVQH-LLVKDONJSA-N 1 2 265.357 2.317 20 30 CEEDLO C=CCC(C)(C)c1noc([C@H]2C[N@@H+](CC)CCO2)n1 ZINC000420506522 376689088 /nfs/dbraw/zinc/68/90/88/376689088.db2.gz UOPJSYPIIMJVQH-LLVKDONJSA-N 1 2 265.357 2.317 20 30 CEEDLO C=C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000264502715 190114680 /nfs/dbraw/zinc/11/46/80/190114680.db2.gz QHIBIWYQQBGTLO-UHFFFAOYSA-N 1 2 268.320 2.060 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000685002111 542108452 /nfs/dbraw/zinc/10/84/52/542108452.db2.gz VQXRYJVPSQEWGK-CABCVRRESA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000685002111 542108456 /nfs/dbraw/zinc/10/84/56/542108456.db2.gz VQXRYJVPSQEWGK-CABCVRRESA-N 1 2 274.339 2.359 20 30 CEEDLO CC(=O)Nc1ccn([C@H]2CCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000328612584 376860234 /nfs/dbraw/zinc/86/02/34/376860234.db2.gz PGWWOPTUZKGDPY-LBPRGKRZSA-N 1 2 286.339 2.041 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c(nnn3-c3ccccc3)C2)C1 ZINC000328748961 376890891 /nfs/dbraw/zinc/89/08/91/376890891.db2.gz BKPPNSKMGLIJNU-HIFRSBDPSA-N 1 2 293.374 2.318 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c(nnn3-c3ccccc3)C2)C1 ZINC000328748961 376890895 /nfs/dbraw/zinc/89/08/95/376890895.db2.gz BKPPNSKMGLIJNU-HIFRSBDPSA-N 1 2 293.374 2.318 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCNC2=O)[C@H]1C ZINC000328880522 376914573 /nfs/dbraw/zinc/91/45/73/376914573.db2.gz KRPVPJANFYZWFJ-MROQNXINSA-N 1 2 281.400 2.428 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCNC2=O)[C@H]1C ZINC000328880522 376914575 /nfs/dbraw/zinc/91/45/75/376914575.db2.gz KRPVPJANFYZWFJ-MROQNXINSA-N 1 2 281.400 2.428 20 30 CEEDLO CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328909270 376922702 /nfs/dbraw/zinc/92/27/02/376922702.db2.gz DOCZJGZXTHSIQR-COPLHBTASA-N 1 2 277.368 2.429 20 30 CEEDLO CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328909270 376922706 /nfs/dbraw/zinc/92/27/06/376922706.db2.gz DOCZJGZXTHSIQR-COPLHBTASA-N 1 2 277.368 2.429 20 30 CEEDLO Cc1nc(N[C@@H](C)C[NH+]2CCOCC2)c(Cl)cc1C#N ZINC000290917943 376984081 /nfs/dbraw/zinc/98/40/81/376984081.db2.gz HFUFLGGDZPWPAI-JTQLQIEISA-N 1 2 294.786 2.048 20 30 CEEDLO OC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCC1(F)F ZINC000291910868 377216895 /nfs/dbraw/zinc/21/68/95/377216895.db2.gz RTAFQIADUQWEFY-ZDUSSCGKSA-N 1 2 283.293 2.127 20 30 CEEDLO OC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCC1(F)F ZINC000291910868 377216902 /nfs/dbraw/zinc/21/69/02/377216902.db2.gz RTAFQIADUQWEFY-ZDUSSCGKSA-N 1 2 283.293 2.127 20 30 CEEDLO COc1c(C)[nH+]c(C2CC2)nc1NCC1(CC#N)CC1 ZINC000563976540 377331825 /nfs/dbraw/zinc/33/18/25/377331825.db2.gz QQZZDZBNUAZICY-UHFFFAOYSA-N 1 2 272.352 2.199 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000426226914 377396139 /nfs/dbraw/zinc/39/61/39/377396139.db2.gz NKHXWKQZMRHGOR-GJZGRUSLSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000426226914 377396152 /nfs/dbraw/zinc/39/61/52/377396152.db2.gz NKHXWKQZMRHGOR-GJZGRUSLSA-N 1 2 297.443 2.141 20 30 CEEDLO C#CC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000265057454 190155098 /nfs/dbraw/zinc/15/50/98/190155098.db2.gz RICXCCDXIZHJKD-UHFFFAOYSA-N 1 2 267.332 2.073 20 30 CEEDLO CC(C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265089280 190157432 /nfs/dbraw/zinc/15/74/32/190157432.db2.gz ZLRVZXBOCAURJY-HNNXBMFYSA-N 1 2 299.418 2.495 20 30 CEEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000429365798 377515075 /nfs/dbraw/zinc/51/50/75/377515075.db2.gz JRVOFBKINZVZTG-CJNGLKHVSA-N 1 2 291.395 2.463 20 30 CEEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000429365798 377515080 /nfs/dbraw/zinc/51/50/80/377515080.db2.gz JRVOFBKINZVZTG-CJNGLKHVSA-N 1 2 291.395 2.463 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C/C=C\c1cccc(F)c1 ZINC000565604179 377679914 /nfs/dbraw/zinc/67/99/14/377679914.db2.gz PMVIRHJXRYBIHM-GMNBZTITSA-N 1 2 289.354 2.189 20 30 CEEDLO CC(C)c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000435529039 377807041 /nfs/dbraw/zinc/80/70/41/377807041.db2.gz DTKSTNPKJPUYIM-HNNXBMFYSA-N 1 2 276.380 2.395 20 30 CEEDLO CC(C)c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000435529039 377807046 /nfs/dbraw/zinc/80/70/46/377807046.db2.gz DTKSTNPKJPUYIM-HNNXBMFYSA-N 1 2 276.380 2.395 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433317565 377789821 /nfs/dbraw/zinc/78/98/21/377789821.db2.gz DJWKCGSTAKHGQK-ZDUSSCGKSA-N 1 2 263.385 2.057 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433317565 377789825 /nfs/dbraw/zinc/78/98/25/377789825.db2.gz DJWKCGSTAKHGQK-ZDUSSCGKSA-N 1 2 263.385 2.057 20 30 CEEDLO COc1cc[nH+]c(CN(C)CC(C)(C)C#N)c1OC ZINC000433320167 377789857 /nfs/dbraw/zinc/78/98/57/377789857.db2.gz RDEKLXOZYDLHLC-UHFFFAOYSA-N 1 2 263.341 2.080 20 30 CEEDLO C#CCCOc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000294479780 377990584 /nfs/dbraw/zinc/99/05/84/377990584.db2.gz MQLLBQHOBFIAMQ-CQSZACIVSA-N 1 2 297.358 2.104 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444725408 378080105 /nfs/dbraw/zinc/08/01/05/378080105.db2.gz GSWVLVVDGYMFTP-WOPDTQHZSA-N 1 2 289.301 2.065 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444725408 378080110 /nfs/dbraw/zinc/08/01/10/378080110.db2.gz GSWVLVVDGYMFTP-WOPDTQHZSA-N 1 2 289.301 2.065 20 30 CEEDLO C=CC[N@@H+](CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000449020442 378196526 /nfs/dbraw/zinc/19/65/26/378196526.db2.gz ZHKXFQDRQJLNSO-MRXNPFEDSA-N 1 2 293.432 2.213 20 30 CEEDLO C=CC[N@H+](CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000449020442 378196534 /nfs/dbraw/zinc/19/65/34/378196534.db2.gz ZHKXFQDRQJLNSO-MRXNPFEDSA-N 1 2 293.432 2.213 20 30 CEEDLO COc1cccc2c(C[NH+]3CC(O)(CC#N)C3)cccc12 ZINC000449260144 378199901 /nfs/dbraw/zinc/19/99/01/378199901.db2.gz URRDISGUSYQLGW-UHFFFAOYSA-N 1 2 282.343 2.309 20 30 CEEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000449529734 378216090 /nfs/dbraw/zinc/21/60/90/378216090.db2.gz ZJEPNKIRXVRSMM-GFCCVEGCSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000449529734 378216095 /nfs/dbraw/zinc/21/60/95/378216095.db2.gz ZJEPNKIRXVRSMM-GFCCVEGCSA-N 1 2 298.433 2.019 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCNC1=O ZINC000297751714 378689562 /nfs/dbraw/zinc/68/95/62/378689562.db2.gz DVOSBVKPQJYZRS-JTQLQIEISA-N 1 2 270.785 2.278 20 30 CEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCNC1=O ZINC000297751714 378689570 /nfs/dbraw/zinc/68/95/70/378689570.db2.gz DVOSBVKPQJYZRS-JTQLQIEISA-N 1 2 270.785 2.278 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2SCC1(C#N)CCC1 ZINC000515772218 379239995 /nfs/dbraw/zinc/23/99/95/379239995.db2.gz OGLQUIXQLXJHJV-UHFFFAOYSA-N 1 2 259.338 2.149 20 30 CEEDLO CC1(C)C[NH+](CC(=O)Nc2ccccc2CC#N)C1 ZINC000516193754 379263113 /nfs/dbraw/zinc/26/31/13/379263113.db2.gz XUWMFVMKYPLNNN-UHFFFAOYSA-N 1 2 257.337 2.033 20 30 CEEDLO N#Cc1ccncc1N1CC[NH+](CCC(F)(F)F)CC1 ZINC000518466981 379385675 /nfs/dbraw/zinc/38/56/75/379385675.db2.gz IXZBRXYDEXGBQY-UHFFFAOYSA-N 1 2 284.285 2.028 20 30 CEEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)cn1 ZINC000267390287 190325921 /nfs/dbraw/zinc/32/59/21/190325921.db2.gz NGIICOFMVZYWMR-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)cn1 ZINC000267390287 190325922 /nfs/dbraw/zinc/32/59/22/190325922.db2.gz NGIICOFMVZYWMR-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459372942 380062475 /nfs/dbraw/zinc/06/24/75/380062475.db2.gz UYSIUEIRPRINAT-AAEUAGOBSA-N 1 2 289.335 2.202 20 30 CEEDLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459372942 380062483 /nfs/dbraw/zinc/06/24/83/380062483.db2.gz UYSIUEIRPRINAT-AAEUAGOBSA-N 1 2 289.335 2.202 20 30 CEEDLO COC(=O)[C@](C)([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000542258824 380302735 /nfs/dbraw/zinc/30/27/35/380302735.db2.gz DXVZROIDRZDPMR-MRXNPFEDSA-N 1 2 272.348 2.184 20 30 CEEDLO C=CCCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000279058379 194266720 /nfs/dbraw/zinc/26/67/20/194266720.db2.gz BTURTPKSMIRMNQ-KBPBESRZSA-N 1 2 276.384 2.442 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860041 380712151 /nfs/dbraw/zinc/71/21/51/380712151.db2.gz HPHPRXRRUIIDGL-XQRVVYSFSA-N 1 2 285.278 2.213 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000554546675 380779947 /nfs/dbraw/zinc/77/99/47/380779947.db2.gz FPLDFXUXTPMYSD-CQSZACIVSA-N 1 2 279.347 2.405 20 30 CEEDLO C[N@H+](CCOCC1CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459336737 269688119 /nfs/dbraw/zinc/68/81/19/269688119.db2.gz CQHASNMYYNCQFE-UHFFFAOYSA-N 1 2 289.335 2.325 20 30 CEEDLO C[N@@H+](CCOCC1CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459336737 269688120 /nfs/dbraw/zinc/68/81/20/269688120.db2.gz CQHASNMYYNCQFE-UHFFFAOYSA-N 1 2 289.335 2.325 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279253876 194353923 /nfs/dbraw/zinc/35/39/23/194353923.db2.gz UCOJKMAAVBCZHB-UHFFFAOYSA-N 1 2 285.322 2.143 20 30 CEEDLO Cc1cc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1F ZINC000493360922 380944740 /nfs/dbraw/zinc/94/47/40/380944740.db2.gz AMRJLKYKMIDHCY-QKIRZYONSA-N 1 2 289.354 2.107 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(C(N)=O)co1 ZINC000494445461 381155854 /nfs/dbraw/zinc/15/58/54/381155854.db2.gz QUHFUDXOQNKNDS-UHFFFAOYSA-N 1 2 286.331 2.233 20 30 CEEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000192155505 533007017 /nfs/dbraw/zinc/00/70/17/533007017.db2.gz RDWMIQDTPLIVKO-UHFFFAOYSA-N 1 2 288.366 2.273 20 30 CEEDLO C#CCCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000192164819 533010241 /nfs/dbraw/zinc/01/02/41/533010241.db2.gz LHPCZVIQFRMZOE-KBPBESRZSA-N 1 2 259.353 2.096 20 30 CEEDLO CC1(C)C[N@H+](Cc2nc(C#N)cs2)CCS1 ZINC000335328392 208199579 /nfs/dbraw/zinc/19/95/79/208199579.db2.gz AEGYQRAMHUBQBG-UHFFFAOYSA-N 1 2 253.396 2.342 20 30 CEEDLO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)CCS1 ZINC000335328392 208199586 /nfs/dbraw/zinc/19/95/86/208199586.db2.gz AEGYQRAMHUBQBG-UHFFFAOYSA-N 1 2 253.396 2.342 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000192233859 533111484 /nfs/dbraw/zinc/11/14/84/533111484.db2.gz VYFQJYYGNQNSLY-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000192233859 533111490 /nfs/dbraw/zinc/11/14/90/533111490.db2.gz VYFQJYYGNQNSLY-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO N#Cc1ccccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281740772 195359716 /nfs/dbraw/zinc/35/97/16/195359716.db2.gz QKUPWSPSVRKHKK-SFHVURJKSA-N 1 2 294.354 2.318 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000157153927 533270713 /nfs/dbraw/zinc/27/07/13/533270713.db2.gz AWVKIJLEFGNSKS-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000157153927 533270722 /nfs/dbraw/zinc/27/07/22/533270722.db2.gz AWVKIJLEFGNSKS-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO Cc1cc(CN2CC[NH+](CC#Cc3ccccc3)CC2)no1 ZINC000191875845 130322984 /nfs/dbraw/zinc/32/29/84/130322984.db2.gz PCCXAFPXIONTIN-UHFFFAOYSA-N 1 2 295.386 2.152 20 30 CEEDLO CCCC[C@@H]([NH2+]CCc1cccc(C#N)c1)C(=O)OC ZINC000355680480 394499949 /nfs/dbraw/zinc/49/99/49/394499949.db2.gz IFGLMZVFIXEVFE-OAHLLOKOSA-N 1 2 274.364 2.422 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413270814 394517048 /nfs/dbraw/zinc/51/70/48/394517048.db2.gz PKOLWJFXHCJANI-IHRRRGAJSA-N 1 2 290.411 2.450 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413270814 394517050 /nfs/dbraw/zinc/51/70/50/394517050.db2.gz PKOLWJFXHCJANI-IHRRRGAJSA-N 1 2 290.411 2.450 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000246501115 394516789 /nfs/dbraw/zinc/51/67/89/394516789.db2.gz BQHBWVIUXWYXBW-CHWSQXEVSA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000246501115 394516793 /nfs/dbraw/zinc/51/67/93/394516793.db2.gz BQHBWVIUXWYXBW-CHWSQXEVSA-N 1 2 273.340 2.001 20 30 CEEDLO C[N@H+](CC#Cc1ccc(F)cc1)C[C@H](O)C(F)(F)F ZINC000305784198 394512033 /nfs/dbraw/zinc/51/20/33/394512033.db2.gz WRLCXOLGOFFRJW-LBPRGKRZSA-N 1 2 275.245 2.032 20 30 CEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@H](O)C(F)(F)F ZINC000305784198 394512035 /nfs/dbraw/zinc/51/20/35/394512035.db2.gz WRLCXOLGOFFRJW-LBPRGKRZSA-N 1 2 275.245 2.032 20 30 CEEDLO O=C(C[C@@H]1CCCCO1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328979709 394559113 /nfs/dbraw/zinc/55/91/13/394559113.db2.gz XMPDYZQZVFINJA-QWRGUYRKSA-N 1 2 263.341 2.183 20 30 CEEDLO O=C(C[C@@H]1CCCCO1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328979709 394559116 /nfs/dbraw/zinc/55/91/16/394559116.db2.gz XMPDYZQZVFINJA-QWRGUYRKSA-N 1 2 263.341 2.183 20 30 CEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CCCOCC1 ZINC000329895265 394593282 /nfs/dbraw/zinc/59/32/82/394593282.db2.gz KJSVGKFMFZTUBN-LBPRGKRZSA-N 1 2 277.368 2.493 20 30 CEEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1ccc(C#N)cc1 ZINC000048572682 394518057 /nfs/dbraw/zinc/51/80/57/394518057.db2.gz MVGDIJGQQQWVQK-UHFFFAOYSA-N 1 2 287.348 2.130 20 30 CEEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1ccc(C#N)cc1 ZINC000048572682 394518059 /nfs/dbraw/zinc/51/80/59/394518059.db2.gz MVGDIJGQQQWVQK-UHFFFAOYSA-N 1 2 287.348 2.130 20 30 CEEDLO C=C(CC)CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413320197 394525484 /nfs/dbraw/zinc/52/54/84/394525484.db2.gz PETSZOVYHUUSJN-STQMWFEESA-N 1 2 276.384 2.062 20 30 CEEDLO C=C(CC)CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413320197 394525486 /nfs/dbraw/zinc/52/54/86/394525486.db2.gz PETSZOVYHUUSJN-STQMWFEESA-N 1 2 276.384 2.062 20 30 CEEDLO CC(=O)c1ccc(C#N)c(NCCc2cn(C)c[nH+]2)c1 ZINC000413384930 394540700 /nfs/dbraw/zinc/54/07/00/394540700.db2.gz QSKYZQFEIWKSRW-UHFFFAOYSA-N 1 2 268.320 2.149 20 30 CEEDLO N#CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000049751451 394551171 /nfs/dbraw/zinc/55/11/71/394551171.db2.gz LDCNBZYJEYHAPV-LLVKDONJSA-N 1 2 292.770 2.299 20 30 CEEDLO N#CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000049751451 394551172 /nfs/dbraw/zinc/55/11/72/394551172.db2.gz LDCNBZYJEYHAPV-LLVKDONJSA-N 1 2 292.770 2.299 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090007274 394654234 /nfs/dbraw/zinc/65/42/34/394654234.db2.gz FVLIBNATSRBJJY-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090007274 394654236 /nfs/dbraw/zinc/65/42/36/394654236.db2.gz FVLIBNATSRBJJY-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO CN(C)C(=O)[C@@H]1CCC[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000265110546 394645195 /nfs/dbraw/zinc/64/51/95/394645195.db2.gz DLNRETKJKDCALS-JQWWKUHOSA-N 1 2 274.364 2.458 20 30 CEEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000271158615 394748460 /nfs/dbraw/zinc/74/84/60/394748460.db2.gz 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/nfs/dbraw/zinc/77/66/98/394776698.db2.gz BTOQNZXEJHWAHE-SFHVURJKSA-N 1 2 282.434 2.353 20 30 CEEDLO CC1(C)CC[N@@H+](Cc2ccc(C#N)s2)CC[S@@]1=O ZINC000335579356 394776700 /nfs/dbraw/zinc/77/67/00/394776700.db2.gz BTOQNZXEJHWAHE-SFHVURJKSA-N 1 2 282.434 2.353 20 30 CEEDLO N#CC1(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000121076607 394791911 /nfs/dbraw/zinc/79/19/11/394791911.db2.gz LJHOCVIDUOXYLU-AWEZNQCLSA-N 1 2 285.347 2.145 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000360424621 394800241 /nfs/dbraw/zinc/80/02/41/394800241.db2.gz MLFHFXGQDAMAMN-UHFFFAOYSA-N 1 2 297.362 2.327 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000274818434 394802374 /nfs/dbraw/zinc/80/23/74/394802374.db2.gz AWLBCAPGYYLYPZ-SWLSCSKDSA-N 1 2 272.348 2.332 20 30 CEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000274818434 394802376 /nfs/dbraw/zinc/80/23/76/394802376.db2.gz AWLBCAPGYYLYPZ-SWLSCSKDSA-N 1 2 272.348 2.332 20 30 CEEDLO CCc1noc(C)c1CO[NH+]=C(N)COc1ccccc1 ZINC000122588627 394814403 /nfs/dbraw/zinc/81/44/03/394814403.db2.gz OHBIRJYDBRBXSA-UHFFFAOYSA-N 1 2 289.335 2.413 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(=O)OC ZINC000361107466 394815941 /nfs/dbraw/zinc/81/59/41/394815941.db2.gz IKXPIZHRIXCSSM-RQJABVFESA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(=O)OC ZINC000361112442 394816545 /nfs/dbraw/zinc/81/65/45/394816545.db2.gz YFQHGEOPXAWUEZ-KFWWJZLASA-N 1 2 281.396 2.313 20 30 CEEDLO C=CCOC[C@@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000361114031 394817186 /nfs/dbraw/zinc/81/71/86/394817186.db2.gz QBCUUCQROMETTN-CQSZACIVSA-N 1 2 269.385 2.291 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C1CCCCCC1)C(=O)OC ZINC000361112006 394817310 /nfs/dbraw/zinc/81/73/10/394817310.db2.gz WEDBQTOOPWOFSL-CYBMUJFWSA-N 1 2 255.358 2.043 20 30 CEEDLO COc1ccc(F)c(N2CC[NH+](CCCC#N)CC2)c1 ZINC000361927739 394838424 /nfs/dbraw/zinc/83/84/24/394838424.db2.gz RFWKVYRBXFPWTE-UHFFFAOYSA-N 1 2 277.343 2.260 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000362169730 394846737 /nfs/dbraw/zinc/84/67/37/394846737.db2.gz KGPKJOFSUUTPDN-MJBXVCDLSA-N 1 2 265.401 2.400 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000362169730 394846739 /nfs/dbraw/zinc/84/67/39/394846739.db2.gz KGPKJOFSUUTPDN-MJBXVCDLSA-N 1 2 265.401 2.400 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C)CC ZINC000362187444 394848687 /nfs/dbraw/zinc/84/86/87/394848687.db2.gz QHAZYEDAKUCFQT-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C)CC ZINC000362187444 394848691 /nfs/dbraw/zinc/84/86/91/394848691.db2.gz QHAZYEDAKUCFQT-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO Cc1cc([C@H]2C[N@H+](CCOCCC#N)CCO2)ccc1F ZINC000339060460 394940658 /nfs/dbraw/zinc/94/06/58/394940658.db2.gz XNVDCNZAHGXIFK-MRXNPFEDSA-N 1 2 292.354 2.438 20 30 CEEDLO Cc1cc([C@H]2C[N@@H+](CCOCCC#N)CCO2)ccc1F ZINC000339060460 394940661 /nfs/dbraw/zinc/94/06/61/394940661.db2.gz XNVDCNZAHGXIFK-MRXNPFEDSA-N 1 2 292.354 2.438 20 30 CEEDLO C[C@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000369456829 394998704 /nfs/dbraw/zinc/99/87/04/394998704.db2.gz HCHQKSKRWJGKMK-RHSMWYFYSA-N 1 2 269.392 2.462 20 30 CEEDLO C[C@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000369456829 394998708 /nfs/dbraw/zinc/99/87/08/394998708.db2.gz HCHQKSKRWJGKMK-RHSMWYFYSA-N 1 2 269.392 2.462 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC000416097341 395013199 /nfs/dbraw/zinc/01/31/99/395013199.db2.gz IXEXACSCCDJLFJ-INIZCTEOSA-N 1 2 294.358 2.339 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154223974 395021702 /nfs/dbraw/zinc/02/17/02/395021702.db2.gz VUWAGLYVWLRSEO-CQSZACIVSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154223974 395021705 /nfs/dbraw/zinc/02/17/05/395021705.db2.gz VUWAGLYVWLRSEO-CQSZACIVSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000134914160 394960726 /nfs/dbraw/zinc/96/07/26/394960726.db2.gz RVAHMLRVGGOPPR-QGZVFWFLSA-N 1 2 287.407 2.328 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)OCC ZINC000339466628 394962244 /nfs/dbraw/zinc/96/22/44/394962244.db2.gz HNWQEBVKFKMTIZ-ZIAGYGMSSA-N 1 2 291.395 2.107 20 30 CEEDLO Cc1cc(N[C@H](C)CCc2cccn2C)c(C#N)c[nH+]1 ZINC000425236625 395053512 /nfs/dbraw/zinc/05/35/12/395053512.db2.gz QPJBORJDGRTCNJ-GFCCVEGCSA-N 1 2 268.364 2.455 20 30 CEEDLO Cn1ccnc1[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000373107255 395053952 /nfs/dbraw/zinc/05/39/52/395053952.db2.gz QYTIJKAMHBSXBS-UONOGXRCSA-N 1 2 271.368 2.043 20 30 CEEDLO Cn1ccnc1[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000373107255 395053954 /nfs/dbraw/zinc/05/39/54/395053954.db2.gz QYTIJKAMHBSXBS-UONOGXRCSA-N 1 2 271.368 2.043 20 30 CEEDLO C=C(Br)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000373280232 395057842 /nfs/dbraw/zinc/05/78/42/395057842.db2.gz WMQPNNBWMZLGTO-UHFFFAOYSA-N 1 2 298.184 2.228 20 30 CEEDLO N#CCC1(CNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000374023531 395070076 /nfs/dbraw/zinc/07/00/76/395070076.db2.gz BECHWTOBLSBIKM-CQSZACIVSA-N 1 2 298.390 2.108 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)s1 ZINC000289326611 395074611 /nfs/dbraw/zinc/07/46/11/395074611.db2.gz GHOWCFWFOQXCLN-AWEZNQCLSA-N 1 2 278.377 2.001 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)s1 ZINC000289326611 395074614 /nfs/dbraw/zinc/07/46/14/395074614.db2.gz GHOWCFWFOQXCLN-AWEZNQCLSA-N 1 2 278.377 2.001 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1 ZINC000289688382 395083733 /nfs/dbraw/zinc/08/37/33/395083733.db2.gz ODNNLUZFYYEYHS-UHFFFAOYSA-N 1 2 255.317 2.407 20 30 CEEDLO C#CC[N@H+](Cc1ccc(CO)o1)Cc1ccccc1 ZINC000289688382 395083737 /nfs/dbraw/zinc/08/37/37/395083737.db2.gz ODNNLUZFYYEYHS-UHFFFAOYSA-N 1 2 255.317 2.407 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000289860133 395089995 /nfs/dbraw/zinc/08/99/95/395089995.db2.gz QXTBOZWYKZBEDC-NKWVEPMBSA-N 1 2 277.187 2.103 20 30 CEEDLO C#CC[N@@H+](Cc1cnn(CCOC)c1)Cc1ccccc1 ZINC000289913623 395090893 /nfs/dbraw/zinc/09/08/93/395090893.db2.gz XFKSBBVCWJHVTB-UHFFFAOYSA-N 1 2 283.375 2.165 20 30 CEEDLO C#CC[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1 ZINC000289913623 395090897 /nfs/dbraw/zinc/09/08/97/395090897.db2.gz XFKSBBVCWJHVTB-UHFFFAOYSA-N 1 2 283.375 2.165 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2Cc3cccc(Cl)c3C2)C1=O ZINC000287511110 395043338 /nfs/dbraw/zinc/04/33/38/395043338.db2.gz UMPBCGTVKOSCPJ-AWEZNQCLSA-N 1 2 276.767 2.443 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)C1=O ZINC000287511110 395043340 /nfs/dbraw/zinc/04/33/40/395043340.db2.gz UMPBCGTVKOSCPJ-AWEZNQCLSA-N 1 2 276.767 2.443 20 30 CEEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)cc(OC)c1O ZINC000348671463 395148461 /nfs/dbraw/zinc/14/84/61/395148461.db2.gz KIJCSLZNUFSRIG-UHFFFAOYSA-N 1 2 294.326 2.237 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(C#N)cc1 ZINC000431713083 395169214 /nfs/dbraw/zinc/16/92/14/395169214.db2.gz RNTSVLVKPUGUTG-UHFFFAOYSA-N 1 2 282.303 2.284 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000438905961 395236262 /nfs/dbraw/zinc/23/62/62/395236262.db2.gz UMGOWTDHYXTDFZ-UHFFFAOYSA-N 1 2 294.358 2.258 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000351228272 395195309 /nfs/dbraw/zinc/19/53/09/395195309.db2.gz PEBOTODTWIIFMM-GHMZBOCLSA-N 1 2 263.307 2.247 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000351228272 395195313 /nfs/dbraw/zinc/19/53/13/395195313.db2.gz PEBOTODTWIIFMM-GHMZBOCLSA-N 1 2 263.307 2.247 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000293171864 395222826 /nfs/dbraw/zinc/22/28/26/395222826.db2.gz PGJZLFKDQOICSJ-NSHDSACASA-N 1 2 289.766 2.494 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000293171864 395222831 /nfs/dbraw/zinc/22/28/31/395222831.db2.gz PGJZLFKDQOICSJ-NSHDSACASA-N 1 2 289.766 2.494 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCNC1=O ZINC000352951455 395280800 /nfs/dbraw/zinc/28/08/00/395280800.db2.gz NRFHFVLZAFFDIT-OAHLLOKOSA-N 1 2 290.411 2.121 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCNC1=O ZINC000352951455 395280810 /nfs/dbraw/zinc/28/08/10/395280810.db2.gz NRFHFVLZAFFDIT-OAHLLOKOSA-N 1 2 290.411 2.121 20 30 CEEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)CC1(C#N)CC1 ZINC000353202601 395290191 /nfs/dbraw/zinc/29/01/91/395290191.db2.gz PMAZJBJRPIEYSE-UHFFFAOYSA-N 1 2 277.412 2.403 20 30 CEEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)CC1(C#N)CC1 ZINC000353202601 395290195 /nfs/dbraw/zinc/29/01/95/395290195.db2.gz PMAZJBJRPIEYSE-UHFFFAOYSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352483747 395258667 /nfs/dbraw/zinc/25/86/67/395258667.db2.gz IYPDPEPGYMXNPX-LLVKDONJSA-N 1 2 293.317 2.480 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000411230152 395323502 /nfs/dbraw/zinc/32/35/02/395323502.db2.gz UROTWGYFISVOKM-CHWSQXEVSA-N 1 2 294.420 2.240 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000411230152 395323507 /nfs/dbraw/zinc/32/35/07/395323507.db2.gz UROTWGYFISVOKM-CHWSQXEVSA-N 1 2 294.420 2.240 20 30 CEEDLO N#Cc1ccc(CC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000355286628 395398187 /nfs/dbraw/zinc/39/81/87/395398187.db2.gz GPPBAPUZZFWKPY-UHFFFAOYSA-N 1 2 276.299 2.387 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1F ZINC000192137528 395372998 /nfs/dbraw/zinc/37/29/98/395372998.db2.gz JXQJHBVRHYURAB-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1F ZINC000192137528 395373004 /nfs/dbraw/zinc/37/30/04/395373004.db2.gz JXQJHBVRHYURAB-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000411623754 395331842 /nfs/dbraw/zinc/33/18/42/395331842.db2.gz SIGCNAKELVANEM-HOCLYGCPSA-N 1 2 274.364 2.458 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000411623754 395331849 /nfs/dbraw/zinc/33/18/49/395331849.db2.gz SIGCNAKELVANEM-HOCLYGCPSA-N 1 2 274.364 2.458 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1occc1C ZINC000412031464 395345002 /nfs/dbraw/zinc/34/50/02/395345002.db2.gz YARQLIPBNPRZLV-UHFFFAOYSA-N 1 2 277.368 2.172 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1occc1C ZINC000412031464 395345004 /nfs/dbraw/zinc/34/50/04/395345004.db2.gz YARQLIPBNPRZLV-UHFFFAOYSA-N 1 2 277.368 2.172 20 30 CEEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1occc1C ZINC000412045822 395347727 /nfs/dbraw/zinc/34/77/27/395347727.db2.gz SBIPZEAMXRJLQS-INIZCTEOSA-N 1 2 291.395 2.464 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1occc1C ZINC000412045822 395347731 /nfs/dbraw/zinc/34/77/31/395347731.db2.gz SBIPZEAMXRJLQS-INIZCTEOSA-N 1 2 291.395 2.464 20 30 CEEDLO CC(C)(NC(=O)c1cc(C#N)cs1)c1[nH]cc[nH+]1 ZINC000568069734 395546233 /nfs/dbraw/zinc/54/62/33/395546233.db2.gz NPCZMEKDYJUUDR-UHFFFAOYSA-N 1 2 260.322 2.008 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000567720223 395535230 /nfs/dbraw/zinc/53/52/30/395535230.db2.gz RISMWFUWKWZVHO-WFASDCNBSA-N 1 2 298.390 2.121 20 30 CEEDLO C=CCCCCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000573739437 395616498 /nfs/dbraw/zinc/61/64/98/395616498.db2.gz MTABJNYXLLNPNZ-HNNXBMFYSA-N 1 2 297.443 2.095 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2cnn(C)c2C)no1 ZINC000568104918 395548779 /nfs/dbraw/zinc/54/87/79/395548779.db2.gz JAQMYYPBBFNOMD-LLVKDONJSA-N 1 2 273.340 2.165 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569116076 395573757 /nfs/dbraw/zinc/57/37/57/395573757.db2.gz FPUJMCXQRSZHHQ-HOCLYGCPSA-N 1 2 296.374 2.336 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000570635717 395583077 /nfs/dbraw/zinc/58/30/77/395583077.db2.gz TUYQQMQQCXSTMX-PVAVHDDUSA-N 1 2 285.391 2.140 20 30 CEEDLO N#CC1(C[N@@H+]2CCOc3cc(O)ccc3C2)CCC1 ZINC000571750273 395584647 /nfs/dbraw/zinc/58/46/47/395584647.db2.gz BVWBTQXYSACSDK-UHFFFAOYSA-N 1 2 258.321 2.280 20 30 CEEDLO N#CC1(C[N@H+]2CCOc3cc(O)ccc3C2)CCC1 ZINC000571750273 395584648 /nfs/dbraw/zinc/58/46/48/395584648.db2.gz BVWBTQXYSACSDK-UHFFFAOYSA-N 1 2 258.321 2.280 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cnc(-c2ccncc2)s1 ZINC000491439820 395669634 /nfs/dbraw/zinc/66/96/34/395669634.db2.gz LZZHSKDIBRWZPM-UHFFFAOYSA-N 1 2 267.357 2.274 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000649281335 396111637 /nfs/dbraw/zinc/11/16/37/396111637.db2.gz RILKJJBYFGJBIZ-GJZGRUSLSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000649281335 396111638 /nfs/dbraw/zinc/11/16/38/396111638.db2.gz RILKJJBYFGJBIZ-GJZGRUSLSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000649281323 396111904 /nfs/dbraw/zinc/11/19/04/396111904.db2.gz IUEVOWMOSOGIFF-GJZGRUSLSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000649281323 396111907 /nfs/dbraw/zinc/11/19/07/396111907.db2.gz IUEVOWMOSOGIFF-GJZGRUSLSA-N 1 2 265.328 2.136 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCC2(CCCCC2)O1 ZINC000491339529 400591041 /nfs/dbraw/zinc/59/10/41/400591041.db2.gz QQBJEFYNIAMWOP-GJZGRUSLSA-N 1 2 263.381 2.202 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCC2(CCCCC2)O1 ZINC000491339529 400591046 /nfs/dbraw/zinc/59/10/46/400591046.db2.gz QQBJEFYNIAMWOP-GJZGRUSLSA-N 1 2 263.381 2.202 20 30 CEEDLO C[C@@H](C(=O)NCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000359849967 155152409 /nfs/dbraw/zinc/15/24/09/155152409.db2.gz OVLJFJDQRDTBBP-CYBMUJFWSA-N 1 2 282.347 2.065 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000611198894 400666647 /nfs/dbraw/zinc/66/66/47/400666647.db2.gz GJFKBRJLYCBDSA-LLVKDONJSA-N 1 2 258.300 2.403 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000650078443 400794903 /nfs/dbraw/zinc/79/49/03/400794903.db2.gz CNSBQWUELQWNAB-ZDUSSCGKSA-N 1 2 273.380 2.451 20 30 CEEDLO N#Cc1ccccc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000346580896 154291499 /nfs/dbraw/zinc/29/14/99/154291499.db2.gz ZGISLYPYBHUAMS-AWEZNQCLSA-N 1 2 258.346 2.443 20 30 CEEDLO COc1ccc(C#N)cc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000367527530 156202101 /nfs/dbraw/zinc/20/21/01/156202101.db2.gz PKFMCAHDXFGKHW-UHFFFAOYSA-N 1 2 294.354 2.270 20 30 CEEDLO N#Cc1cnccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000368668291 156386905 /nfs/dbraw/zinc/38/69/05/156386905.db2.gz WNCCLVWMHKWGKU-UHFFFAOYSA-N 1 2 293.305 2.312 20 30 CEEDLO N#Cc1cnccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000548481959 298414219 /nfs/dbraw/zinc/41/42/19/298414219.db2.gz ZUVRDEWLLYMBSO-UHFFFAOYSA-N 1 2 289.342 2.232 20 30 CEEDLO CCC[C@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OCC ZINC000174211361 165098399 /nfs/dbraw/zinc/09/83/99/165098399.db2.gz KGIOENYTVKUAEO-HNNXBMFYSA-N 1 2 290.363 2.258 20 30 CEEDLO N#Cc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)s1 ZINC000179612440 165284292 /nfs/dbraw/zinc/28/42/92/165284292.db2.gz OLSOBSLORBEPQE-UHFFFAOYSA-N 1 2 285.372 2.107 20 30 CEEDLO N#Cc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)s1 ZINC000179612440 165284296 /nfs/dbraw/zinc/28/42/96/165284296.db2.gz OLSOBSLORBEPQE-UHFFFAOYSA-N 1 2 285.372 2.107 20 30 CEEDLO N#Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c[nH]1 ZINC000181248544 165336666 /nfs/dbraw/zinc/33/66/66/165336666.db2.gz BNHCCDCKEWIVEN-UHFFFAOYSA-N 1 2 291.314 2.002 20 30 CEEDLO N#Cc1ccncc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000378055312 165611313 /nfs/dbraw/zinc/61/13/13/165611313.db2.gz XKOOWCLMEATFFG-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO CC[C@H](C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OC ZINC000037312963 173114689 /nfs/dbraw/zinc/11/46/89/173114689.db2.gz FCWZJWOBEMLXBM-WFASDCNBSA-N 1 2 290.363 2.266 20 30 CEEDLO COCC#CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912352 414787826 /nfs/dbraw/zinc/78/78/26/414787826.db2.gz PXWOKWATVZKVGF-HNNXBMFYSA-N 1 2 270.332 2.198 20 30 CEEDLO C=CCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000660789082 414974762 /nfs/dbraw/zinc/97/47/62/414974762.db2.gz OCIFAIUFDFIEQB-UHFFFAOYSA-N 1 2 272.352 2.061 20 30 CEEDLO C=CCCCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661033686 415071995 /nfs/dbraw/zinc/07/19/95/415071995.db2.gz KFKBFTGIFSWXDJ-NSHDSACASA-N 1 2 250.346 2.137 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(CC)s1)[C@@H](C)COC ZINC000661241302 415152189 /nfs/dbraw/zinc/15/21/89/415152189.db2.gz VJBRLUZERGJUKN-JTQLQIEISA-N 1 2 255.387 2.123 20 30 CEEDLO C=CC[N@H+](Cc1nnc(CC)s1)[C@@H](C)COC ZINC000661241302 415152193 /nfs/dbraw/zinc/15/21/93/415152193.db2.gz VJBRLUZERGJUKN-JTQLQIEISA-N 1 2 255.387 2.123 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)nn1 ZINC000653780062 415102607 /nfs/dbraw/zinc/10/26/07/415102607.db2.gz RTIZEBFYGJFWSO-LBPRGKRZSA-N 1 2 268.311 2.085 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)nn1 ZINC000653780062 415102614 /nfs/dbraw/zinc/10/26/14/415102614.db2.gz RTIZEBFYGJFWSO-LBPRGKRZSA-N 1 2 268.311 2.085 20 30 CEEDLO C=CCOCCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000664387036 415314221 /nfs/dbraw/zinc/31/42/21/415314221.db2.gz XBZUUDXVNMEGHR-UHFFFAOYSA-N 1 2 284.363 2.274 20 30 CEEDLO C=CCCCS(=O)(=O)Nc1c[nH+]c2ccccn12 ZINC000656741415 415832458 /nfs/dbraw/zinc/83/24/58/415832458.db2.gz NVFUTRFTRSCCLD-UHFFFAOYSA-N 1 2 265.338 2.042 20 30 CEEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000660262116 415946380 /nfs/dbraw/zinc/94/63/80/415946380.db2.gz QCWZTIZTEYPPFN-CHWSQXEVSA-N 1 2 260.385 2.457 20 30 CEEDLO N#CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171636020 335073044 /nfs/dbraw/zinc/07/30/44/335073044.db2.gz OVSRCLUQWLCFCB-UHFFFAOYSA-N 1 2 263.272 2.469 20 30 CEEDLO C[S@@](=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000348718545 226509646 /nfs/dbraw/zinc/50/96/46/226509646.db2.gz XXIRGSUBHCIVRO-LJQANCHMSA-N 1 2 280.368 2.252 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000336500840 227074362 /nfs/dbraw/zinc/07/43/62/227074362.db2.gz VGLIVXVBFVJANX-HIFRSBDPSA-N 1 2 280.331 2.294 20 30 CEEDLO [O-]C(NCCC1CCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330171934 228055762 /nfs/dbraw/zinc/05/57/62/228055762.db2.gz FXJBIBUFSKGTBF-CYBMUJFWSA-N 1 2 276.384 2.282 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CCC1CCCC1 ZINC000330171934 228055763 /nfs/dbraw/zinc/05/57/63/228055763.db2.gz FXJBIBUFSKGTBF-CYBMUJFWSA-N 1 2 276.384 2.282 20 30 CEEDLO C[C@H]1CC[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330176173 228056572 /nfs/dbraw/zinc/05/65/72/228056572.db2.gz CBACMAAGFPTIGS-AVGNSLFASA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@H]1CC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330176173 228056575 /nfs/dbraw/zinc/05/65/75/228056575.db2.gz CBACMAAGFPTIGS-AVGNSLFASA-N 1 2 276.384 2.280 20 30 CEEDLO CCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000154493135 261092288 /nfs/dbraw/zinc/09/22/88/261092288.db2.gz QBRHZQXDUWWDIZ-UHFFFAOYSA-N 1 2 252.314 2.141 20 30 CEEDLO CCNC(=O)C[N@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC000177014028 261325253 /nfs/dbraw/zinc/32/52/53/261325253.db2.gz CUDWHUGWFKCPFQ-UHFFFAOYSA-N 1 2 278.783 2.150 20 30 CEEDLO CCNC(=O)C[N@@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC000177014028 261325255 /nfs/dbraw/zinc/32/52/55/261325255.db2.gz CUDWHUGWFKCPFQ-UHFFFAOYSA-N 1 2 278.783 2.150 20 30 CEEDLO Cc1cc(N(C)CCNC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000497222201 262111981 /nfs/dbraw/zinc/11/19/81/262111981.db2.gz NYQOMEJQLXDDSI-UHFFFAOYSA-N 1 2 290.367 2.223 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000364044197 262118464 /nfs/dbraw/zinc/11/84/64/262118464.db2.gz TUEKWYYXBMWIRK-HZPDHXFCSA-N 1 2 293.370 2.326 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cccc(Cl)c1 ZINC000493662574 262269522 /nfs/dbraw/zinc/26/95/22/262269522.db2.gz WZEFXRCWJZUMJY-ZPIQOJFGSA-N 1 2 291.782 2.313 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365406135 262364320 /nfs/dbraw/zinc/36/43/20/262364320.db2.gz VUHCOCIWJAJNAT-ZDUSSCGKSA-N 1 2 291.395 2.159 20 30 CEEDLO Cc1ccc[nH+]c1CCCNc1cncc(C#N)n1 ZINC000420626473 269921486 /nfs/dbraw/zinc/92/14/86/269921486.db2.gz JOOIZVIPJYAZMT-UHFFFAOYSA-N 1 2 253.309 2.096 20 30 CEEDLO C[N@H+](CCC(C)(C)C#N)Cc1ccc(S(C)(=O)=O)cc1 ZINC000272016711 263001370 /nfs/dbraw/zinc/00/13/70/263001370.db2.gz LWKBRWHVRAPIRY-UHFFFAOYSA-N 1 2 294.420 2.462 20 30 CEEDLO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(S(C)(=O)=O)cc1 ZINC000272016711 263001371 /nfs/dbraw/zinc/00/13/71/263001371.db2.gz LWKBRWHVRAPIRY-UHFFFAOYSA-N 1 2 294.420 2.462 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000272560233 263006841 /nfs/dbraw/zinc/00/68/41/263006841.db2.gz LRHNJTBCMSIFGV-UHFFFAOYSA-N 1 2 282.347 2.122 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CCC(C)(C)O)c1 ZINC000274761957 263030151 /nfs/dbraw/zinc/03/01/51/263030151.db2.gz IKXWHSRAIKWWNB-XNTDXEJSSA-N 1 2 251.326 2.371 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cccc(-n2cc[nH+]c2)n1 ZINC000366607038 263069938 /nfs/dbraw/zinc/06/99/38/263069938.db2.gz IDXIKDSLEPQASI-CJNGLKHVSA-N 1 2 284.363 2.082 20 30 CEEDLO CC(C)SCCO[NH+]=C(N)COc1ccccc1 ZINC000282310618 263075787 /nfs/dbraw/zinc/07/57/87/263075787.db2.gz SJCOESYPORQXRB-UHFFFAOYSA-N 1 2 268.382 2.496 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCOC[C@@H]2C)c1 ZINC000285234670 263091455 /nfs/dbraw/zinc/09/14/55/263091455.db2.gz GBVZULOULRYKRF-STQKSKDHSA-N 1 2 263.337 2.492 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@]1(C#N)CC1(C)C ZINC000291408215 263122333 /nfs/dbraw/zinc/12/23/33/263122333.db2.gz ITMVFONNKCXCCM-INIZCTEOSA-N 1 2 282.347 2.153 20 30 CEEDLO CCC[C@H](C)C(=O)NCC/[NH+]=C/c1ccccc1O ZINC000292372064 263131719 /nfs/dbraw/zinc/13/17/19/263131719.db2.gz SMECXANJFOQAQK-JASJWYONSA-N 1 2 262.353 2.364 20 30 CEEDLO CCc1cnc(C[N@H+](C)CCOCCC#N)s1 ZINC000292839567 263135567 /nfs/dbraw/zinc/13/55/67/263135567.db2.gz POHIFGIGRJBCGQ-UHFFFAOYSA-N 1 2 253.371 2.068 20 30 CEEDLO CCc1cnc(C[N@@H+](C)CCOCCC#N)s1 ZINC000292839567 263135568 /nfs/dbraw/zinc/13/55/68/263135568.db2.gz POHIFGIGRJBCGQ-UHFFFAOYSA-N 1 2 253.371 2.068 20 30 CEEDLO CC[C@@](C)([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OC ZINC000293209982 263138695 /nfs/dbraw/zinc/13/86/95/263138695.db2.gz PJOFBNCMHCKXPA-OAHLLOKOSA-N 1 2 276.336 2.020 20 30 CEEDLO C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)Cn1cc[nH+]c1 ZINC000295023726 263171100 /nfs/dbraw/zinc/17/11/00/263171100.db2.gz QXIIQUMVICFQQF-CJNGLKHVSA-N 1 2 286.379 2.109 20 30 CEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)C[C@H](C)C#N ZINC000299154641 263232066 /nfs/dbraw/zinc/23/20/66/263232066.db2.gz HJGOLSZPWIGFCL-FRRDWIJNSA-N 1 2 291.370 2.483 20 30 CEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)C[C@H](C)C#N ZINC000299154641 263232067 /nfs/dbraw/zinc/23/20/67/263232067.db2.gz HJGOLSZPWIGFCL-FRRDWIJNSA-N 1 2 291.370 2.483 20 30 CEEDLO C[C@@H](CCC#N)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000299220291 263235551 /nfs/dbraw/zinc/23/55/51/263235551.db2.gz IKDMNUZQMOQVBF-LBPRGKRZSA-N 1 2 280.393 2.214 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000299220291 263235552 /nfs/dbraw/zinc/23/55/52/263235552.db2.gz IKDMNUZQMOQVBF-LBPRGKRZSA-N 1 2 280.393 2.214 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CC#N)cc1)C1CC1 ZINC000341722750 263347736 /nfs/dbraw/zinc/34/77/36/263347736.db2.gz VWZVGGKKFJPPRD-OAHLLOKOSA-N 1 2 294.358 2.367 20 30 CEEDLO C=CC[NH+](CC=C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000341838443 263357481 /nfs/dbraw/zinc/35/74/81/263357481.db2.gz ZFLKXJJGNHUQKD-UHFFFAOYSA-N 1 2 265.378 2.264 20 30 CEEDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341991701 263382349 /nfs/dbraw/zinc/38/23/49/263382349.db2.gz OQGDSHFGFAYAIK-CYBMUJFWSA-N 1 2 296.411 2.359 20 30 CEEDLO C#C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000874864134 649858775 /nfs/dbraw/zinc/85/87/75/649858775.db2.gz UWVCCUXDZYAYNT-JOCQHMNTSA-N 1 2 267.332 2.256 20 30 CEEDLO COc1cc(C(=O)Nc2c(C)cc[nH+]c2C)nn1C ZINC000331232796 264172852 /nfs/dbraw/zinc/17/28/52/264172852.db2.gz AZHNTKVXIDWAOW-UHFFFAOYSA-N 1 2 260.297 2.077 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000331320194 264188862 /nfs/dbraw/zinc/18/88/62/264188862.db2.gz DWGBNELOYKIGKP-ZWNOBZJWSA-N 1 2 261.300 2.046 20 30 CEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2=CCCCC2)C1 ZINC000331341794 264195577 /nfs/dbraw/zinc/19/55/77/264195577.db2.gz KLXQKWWZOZTHKD-CYBMUJFWSA-N 1 2 294.395 2.328 20 30 CEEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2=CCCCC2)C1 ZINC000331341794 264195580 /nfs/dbraw/zinc/19/55/80/264195580.db2.gz KLXQKWWZOZTHKD-CYBMUJFWSA-N 1 2 294.395 2.328 20 30 CEEDLO COc1ccc(OC(F)F)c(C[NH2+]CCC#N)c1 ZINC000425979773 264263539 /nfs/dbraw/zinc/26/35/39/264263539.db2.gz LSSFEDYSQNJASX-UHFFFAOYSA-N 1 2 256.252 2.300 20 30 CEEDLO Cc1occc1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000055057837 264349981 /nfs/dbraw/zinc/34/99/81/264349981.db2.gz TWAPZLCEMJRRRJ-UHFFFAOYSA-N 1 2 289.379 2.363 20 30 CEEDLO Cc1occc1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000055057837 264349982 /nfs/dbraw/zinc/34/99/82/264349982.db2.gz TWAPZLCEMJRRRJ-UHFFFAOYSA-N 1 2 289.379 2.363 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000132578695 264397334 /nfs/dbraw/zinc/39/73/34/264397334.db2.gz QHYFKGDVMJLLBF-IOASZLSFSA-N 1 2 286.379 2.034 20 30 CEEDLO C#CC[C@@H]([NH2+]Cc1nccnc1OC)c1ccccc1 ZINC000294091114 265007172 /nfs/dbraw/zinc/00/71/72/265007172.db2.gz BEAVCXVKJLMWDH-CQSZACIVSA-N 1 2 267.332 2.339 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000361110992 266786500 /nfs/dbraw/zinc/78/65/00/266786500.db2.gz IOINDWZEXALGCJ-JYJNAYRXSA-N 1 2 289.375 2.124 20 30 CEEDLO C=CCN(CC=C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363146959 267076723 /nfs/dbraw/zinc/07/67/23/267076723.db2.gz KUPRHVKPRUOMQP-UHFFFAOYSA-N 1 2 297.362 2.151 20 30 CEEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1[C@H]1CCCO1 ZINC000368581593 267187546 /nfs/dbraw/zinc/18/75/46/267187546.db2.gz BVPFNPHHCUYRHO-BFHYXJOUSA-N 1 2 261.369 2.319 20 30 CEEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1[C@H]1CCCO1 ZINC000368581593 267187548 /nfs/dbraw/zinc/18/75/48/267187548.db2.gz BVPFNPHHCUYRHO-BFHYXJOUSA-N 1 2 261.369 2.319 20 30 CEEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)[C@H]1[C@@H]1CCCO1 ZINC000368581594 267189056 /nfs/dbraw/zinc/18/90/56/267189056.db2.gz BVPFNPHHCUYRHO-IHRRRGAJSA-N 1 2 261.369 2.319 20 30 CEEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)[C@H]1[C@@H]1CCCO1 ZINC000368581594 267189058 /nfs/dbraw/zinc/18/90/58/267189058.db2.gz BVPFNPHHCUYRHO-IHRRRGAJSA-N 1 2 261.369 2.319 20 30 CEEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000505614113 267232896 /nfs/dbraw/zinc/23/28/96/267232896.db2.gz VUUKMRMTABADNR-JSGCOSHPSA-N 1 2 284.363 2.205 20 30 CEEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000505614113 267232898 /nfs/dbraw/zinc/23/28/98/267232898.db2.gz VUUKMRMTABADNR-JSGCOSHPSA-N 1 2 284.363 2.205 20 30 CEEDLO CC(C)(O)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369295702 267233542 /nfs/dbraw/zinc/23/35/42/267233542.db2.gz YDUGMYKVFSKPMI-DZGCQCFKSA-N 1 2 266.385 2.075 20 30 CEEDLO CC(C)(O)CC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369295702 267233546 /nfs/dbraw/zinc/23/35/46/267233546.db2.gz YDUGMYKVFSKPMI-DZGCQCFKSA-N 1 2 266.385 2.075 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000492451597 267256382 /nfs/dbraw/zinc/25/63/82/267256382.db2.gz ZKZDRJMKZAAYBG-CMDGGOBGSA-N 1 2 294.358 2.446 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C#N)oc1C ZINC000456372633 267257831 /nfs/dbraw/zinc/25/78/31/267257831.db2.gz ZKTOZUCJBROALZ-SECBINFHSA-N 1 2 272.308 2.167 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CNc1cccc(C#N)c1 ZINC000456352260 267258177 /nfs/dbraw/zinc/25/81/77/267258177.db2.gz LLMSDZDTNXBZJD-LBPRGKRZSA-N 1 2 297.362 2.064 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000450826496 267259126 /nfs/dbraw/zinc/25/91/26/267259126.db2.gz GCSVVUUJRCOGGX-VIFPVBQESA-N 1 2 286.295 2.251 20 30 CEEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370505635 267325480 /nfs/dbraw/zinc/32/54/80/267325480.db2.gz WMVSSNSGVFWJQY-STQMWFEESA-N 1 2 279.384 2.486 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370505635 267325483 /nfs/dbraw/zinc/32/54/83/267325483.db2.gz WMVSSNSGVFWJQY-STQMWFEESA-N 1 2 279.384 2.486 20 30 CEEDLO CCOC(=O)c1coc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418137595 267371664 /nfs/dbraw/zinc/37/16/64/267371664.db2.gz FAKNWZYNEXCGEM-UHFFFAOYSA-N 1 2 262.309 2.240 20 30 CEEDLO C#CC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000371373854 267395868 /nfs/dbraw/zinc/39/58/68/267395868.db2.gz BRHFFVYHCIXGPL-CYBMUJFWSA-N 1 2 267.275 2.295 20 30 CEEDLO C#CC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000371373854 267395874 /nfs/dbraw/zinc/39/58/74/267395874.db2.gz BRHFFVYHCIXGPL-CYBMUJFWSA-N 1 2 267.275 2.295 20 30 CEEDLO Cc1nnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000442689873 268076096 /nfs/dbraw/zinc/07/60/96/268076096.db2.gz IDPMJVXMZDJLIN-SNVBAGLBSA-N 1 2 255.325 2.178 20 30 CEEDLO Cc1nnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000442689873 268076098 /nfs/dbraw/zinc/07/60/98/268076098.db2.gz IDPMJVXMZDJLIN-SNVBAGLBSA-N 1 2 255.325 2.178 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000436119027 268103232 /nfs/dbraw/zinc/10/32/32/268103232.db2.gz BYKVRIKRPOVEIW-UHFFFAOYSA-N 1 2 270.292 2.173 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000428944930 268163682 /nfs/dbraw/zinc/16/36/82/268163682.db2.gz VXBMVDSJIZUXOQ-UHFFFAOYSA-N 1 2 299.349 2.477 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000428944930 268163683 /nfs/dbraw/zinc/16/36/83/268163683.db2.gz VXBMVDSJIZUXOQ-UHFFFAOYSA-N 1 2 299.349 2.477 20 30 CEEDLO N#Cc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1F ZINC000450903498 268225435 /nfs/dbraw/zinc/22/54/35/268225435.db2.gz CXQZRZULZFOQIB-UHFFFAOYSA-N 1 2 268.295 2.399 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1F ZINC000336277797 270336324 /nfs/dbraw/zinc/33/63/24/270336324.db2.gz VDAYILIOMMJWEJ-CABCVRRESA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1F ZINC000336277797 270336326 /nfs/dbraw/zinc/33/63/26/270336326.db2.gz VDAYILIOMMJWEJ-CABCVRRESA-N 1 2 260.312 2.451 20 30 CEEDLO CCC[C@H](CNc1cc(C)[nH+]cc1C#N)C(=O)OCC ZINC000425253654 271147918 /nfs/dbraw/zinc/14/79/18/271147918.db2.gz CVMQRFLYSRDLON-GFCCVEGCSA-N 1 2 275.352 2.075 20 30 CEEDLO C[C@H](CNC(=O)/C=C\c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000255310510 280486091 /nfs/dbraw/zinc/48/60/91/280486091.db2.gz GQFCVJQIDQKVNC-GEXIGZQTSA-N 1 2 294.358 2.220 20 30 CEEDLO Cc1cc(N2CCCN(c3ccccc3C#N)CC2)nc[nH+]1 ZINC000301284957 280549788 /nfs/dbraw/zinc/54/97/88/280549788.db2.gz YVYKAQOKUXIHEY-UHFFFAOYSA-N 1 2 293.374 2.373 20 30 CEEDLO C[C@@H]1[C@H](C)SCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329625539 289024919 /nfs/dbraw/zinc/02/49/19/289024919.db2.gz SVFLPUUWLVIMAQ-OUAUKWLOSA-N 1 2 294.424 2.007 20 30 CEEDLO C[C@@H]1[C@H](C)SCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329625539 289024921 /nfs/dbraw/zinc/02/49/21/289024921.db2.gz SVFLPUUWLVIMAQ-OUAUKWLOSA-N 1 2 294.424 2.007 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000156064306 289188219 /nfs/dbraw/zinc/18/82/19/289188219.db2.gz AISADDZNKUCXAL-SWLSCSKDSA-N 1 2 294.358 2.195 20 30 CEEDLO N#CC1(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)CCCCC1 ZINC000329325507 303138209 /nfs/dbraw/zinc/13/82/09/303138209.db2.gz WDTUTTMHFIDDIW-UHFFFAOYSA-N 1 2 291.395 2.282 20 30 CEEDLO N#CC1(NC(=O)C[N@H+]2CCOCC3(CC3)C2)CCCCC1 ZINC000329325507 303138211 /nfs/dbraw/zinc/13/82/11/303138211.db2.gz WDTUTTMHFIDDIW-UHFFFAOYSA-N 1 2 291.395 2.282 20 30 CEEDLO CNC(=O)COc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185746703 327843963 /nfs/dbraw/zinc/84/39/63/327843963.db2.gz LHNOJBRUWBDWNQ-TZMCWYRMSA-N 1 2 287.363 2.306 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000531835038 328041677 /nfs/dbraw/zinc/04/16/77/328041677.db2.gz ZRIUXTNFRLRTKB-WJEHIRDRSA-N 1 2 286.379 2.232 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CC#N)CC1 ZINC000541024761 328042234 /nfs/dbraw/zinc/04/22/34/328042234.db2.gz PSUQKGKKOVUEBE-INIZCTEOSA-N 1 2 297.358 2.398 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC1(CS(C)(=O)=O)CC1 ZINC000339867784 328081309 /nfs/dbraw/zinc/08/13/09/328081309.db2.gz UUJPAIFMGFAKMW-UHFFFAOYSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC1(CS(C)(=O)=O)CC1 ZINC000339867784 328081310 /nfs/dbraw/zinc/08/13/10/328081310.db2.gz UUJPAIFMGFAKMW-UHFFFAOYSA-N 1 2 286.441 2.073 20 30 CEEDLO CC[N@H+](CC(=O)NC[C@@H](C)C#N)Cc1ccccc1Cl ZINC000571073917 328084294 /nfs/dbraw/zinc/08/42/94/328084294.db2.gz MVOTYEKHGJSHFP-LBPRGKRZSA-N 1 2 293.798 2.438 20 30 CEEDLO CC[N@@H+](CC(=O)NC[C@@H](C)C#N)Cc1ccccc1Cl ZINC000571073917 328084296 /nfs/dbraw/zinc/08/42/96/328084296.db2.gz MVOTYEKHGJSHFP-LBPRGKRZSA-N 1 2 293.798 2.438 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412042705 328102697 /nfs/dbraw/zinc/10/26/97/328102697.db2.gz OYMMOCODABBXBL-MNOVXSKESA-N 1 2 282.413 2.002 20 30 CEEDLO Cc1cc(NC(=O)Nc2cc[nH+]c(C)c2)nn1CCC#N ZINC000275839740 328216446 /nfs/dbraw/zinc/21/64/46/328216446.db2.gz ZLJIVIQIWDPVRE-UHFFFAOYSA-N 1 2 284.323 2.453 20 30 CEEDLO NC(=[NH+]OCc1ccc(F)c(Cl)c1)[C@H]1CCCO1 ZINC000284449736 328245892 /nfs/dbraw/zinc/24/58/92/328245892.db2.gz PWSYIGIKVZCBAI-LLVKDONJSA-N 1 2 272.707 2.447 20 30 CEEDLO N#CCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000292407253 328270073 /nfs/dbraw/zinc/27/00/73/328270073.db2.gz SGOSHFOXENJFPN-UHFFFAOYSA-N 1 2 286.310 2.321 20 30 CEEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293170635 328274601 /nfs/dbraw/zinc/27/46/01/328274601.db2.gz RWXBFULTSNAEPS-UONOGXRCSA-N 1 2 292.404 2.214 20 30 CEEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293170635 328274602 /nfs/dbraw/zinc/27/46/02/328274602.db2.gz RWXBFULTSNAEPS-UONOGXRCSA-N 1 2 292.404 2.214 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049315971 328354579 /nfs/dbraw/zinc/35/45/79/328354579.db2.gz JHJKWARABWMQAC-NSHDSACASA-N 1 2 263.341 2.067 20 30 CEEDLO C=C1CC[NH+](CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000340811247 328401122 /nfs/dbraw/zinc/40/11/22/328401122.db2.gz DGSGMBLFBNIXPW-UHFFFAOYSA-N 1 2 295.404 2.121 20 30 CEEDLO CC#CCN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312652 328454018 /nfs/dbraw/zinc/45/40/18/328454018.db2.gz KGGAKVXRFQFTIS-HNNXBMFYSA-N 1 2 281.359 2.413 20 30 CEEDLO C=C(C)COCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331055182 328476558 /nfs/dbraw/zinc/47/65/58/328476558.db2.gz KIRCBUHKPKVKIR-CYBMUJFWSA-N 1 2 292.383 2.096 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000154800673 327387001 /nfs/dbraw/zinc/38/70/01/327387001.db2.gz APSBLCKVJCXJNT-CYBMUJFWSA-N 1 2 269.385 2.169 20 30 CEEDLO O[C@H](C[NH2+]Cc1c(F)cc(F)c(F)c1F)C(F)(F)F ZINC000569687500 327535482 /nfs/dbraw/zinc/53/54/82/327535482.db2.gz WMPHUBMCIFDNLR-SSDOTTSWSA-N 1 2 291.166 2.256 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000358765887 328894139 /nfs/dbraw/zinc/89/41/39/328894139.db2.gz MCCYXFWKNJCXGZ-HOCLYGCPSA-N 1 2 299.374 2.240 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363095229 328931630 /nfs/dbraw/zinc/93/16/30/328931630.db2.gz XFMFEJGFNUBZKS-KBPBESRZSA-N 1 2 286.379 2.059 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583821123 329483651 /nfs/dbraw/zinc/48/36/51/329483651.db2.gz AKQHLHYNQWZZGC-NSHDSACASA-N 1 2 270.336 2.265 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC ZINC000584478342 329498408 /nfs/dbraw/zinc/49/84/08/329498408.db2.gz PKQLOPSDGGJUQT-RYUDHWBXSA-N 1 2 275.352 2.304 20 30 CEEDLO C[S@](=O)C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000248565715 329892023 /nfs/dbraw/zinc/89/20/23/329892023.db2.gz KSODPMNNXUCREF-RCDCFZSISA-N 1 2 289.404 2.139 20 30 CEEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(CCOC)c1C)C1CC1 ZINC000274183772 330103304 /nfs/dbraw/zinc/10/33/04/330103304.db2.gz PFDUWQZFWGIIJJ-UHFFFAOYSA-N 1 2 288.391 2.032 20 30 CEEDLO C#CC[N@H+](CC(=O)c1cc(C)n(CCOC)c1C)C1CC1 ZINC000274183772 330103305 /nfs/dbraw/zinc/10/33/05/330103305.db2.gz PFDUWQZFWGIIJJ-UHFFFAOYSA-N 1 2 288.391 2.032 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)C1CC1 ZINC000274238683 330104263 /nfs/dbraw/zinc/10/42/63/330104263.db2.gz XPWPKYSMITVMQW-UHFFFAOYSA-N 1 2 294.301 2.324 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)C1CC1 ZINC000274238683 330104265 /nfs/dbraw/zinc/10/42/65/330104265.db2.gz XPWPKYSMITVMQW-UHFFFAOYSA-N 1 2 294.301 2.324 20 30 CEEDLO N/C(=N/O)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000079812695 330338034 /nfs/dbraw/zinc/33/80/34/330338034.db2.gz OPJRAWFVNMBMRF-GFCCVEGCSA-N 1 2 267.760 2.441 20 30 CEEDLO N/C(=N/O)[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000079812695 330338035 /nfs/dbraw/zinc/33/80/35/330338035.db2.gz OPJRAWFVNMBMRF-GFCCVEGCSA-N 1 2 267.760 2.441 20 30 CEEDLO CC#CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000121244273 330398429 /nfs/dbraw/zinc/39/84/29/330398429.db2.gz IZGRTZQVQZLYFW-RMKNXTFCSA-N 1 2 265.316 2.025 20 30 CEEDLO CN(C)c1nc(N2CCC(C#N)CC2)[nH+]c2ccccc21 ZINC000450290888 330971054 /nfs/dbraw/zinc/97/10/54/330971054.db2.gz RXQHIWOLJANROI-UHFFFAOYSA-N 1 2 281.363 2.436 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452352270 331062887 /nfs/dbraw/zinc/06/28/87/331062887.db2.gz HDPUZLVIBBUWHD-JTQLQIEISA-N 1 2 268.320 2.399 20 30 CEEDLO C=CCSCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454431466 331146025 /nfs/dbraw/zinc/14/60/25/331146025.db2.gz MSPKMUULFRBIKL-MNOVXSKESA-N 1 2 280.397 2.107 20 30 CEEDLO C=C(CC)CNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000454703644 331151896 /nfs/dbraw/zinc/15/18/96/331151896.db2.gz VCCMXVFUBHGWKT-GFCCVEGCSA-N 1 2 262.357 2.026 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457284914 331218103 /nfs/dbraw/zinc/21/81/03/331218103.db2.gz FVZGMISWTOVQOZ-JTQLQIEISA-N 1 2 283.397 2.124 20 30 CEEDLO C#CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000490671040 332101734 /nfs/dbraw/zinc/10/17/34/332101734.db2.gz PKWBGBLOZKKZRN-UHFFFAOYSA-N 1 2 253.305 2.014 20 30 CEEDLO C#CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490714821 332107664 /nfs/dbraw/zinc/10/76/64/332107664.db2.gz RGXMOZLOMSFUQH-LLVKDONJSA-N 1 2 273.380 2.166 20 30 CEEDLO C#CC(C)(C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490714821 332107666 /nfs/dbraw/zinc/10/76/66/332107666.db2.gz RGXMOZLOMSFUQH-LLVKDONJSA-N 1 2 273.380 2.166 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000490838740 332119064 /nfs/dbraw/zinc/11/90/64/332119064.db2.gz DHGUHKOTYFHLKJ-UHFFFAOYSA-N 1 2 299.418 2.489 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000490838740 332119065 /nfs/dbraw/zinc/11/90/65/332119065.db2.gz DHGUHKOTYFHLKJ-UHFFFAOYSA-N 1 2 299.418 2.489 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491274965 332178571 /nfs/dbraw/zinc/17/85/71/332178571.db2.gz BQGGVXNIOXPDGK-UONOGXRCSA-N 1 2 288.395 2.170 20 30 CEEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(F)cc1 ZINC000491288249 332182020 /nfs/dbraw/zinc/18/20/20/332182020.db2.gz QJSMQQBCDZPZFT-KBPBESRZSA-N 1 2 297.333 2.459 20 30 CEEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccc(F)cc1 ZINC000491288249 332182021 /nfs/dbraw/zinc/18/20/21/332182021.db2.gz QJSMQQBCDZPZFT-KBPBESRZSA-N 1 2 297.333 2.459 20 30 CEEDLO C#C[C@@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C(C)C ZINC000491326597 332190615 /nfs/dbraw/zinc/19/06/15/332190615.db2.gz OKDIVHOKYSFXQL-CQSZACIVSA-N 1 2 297.362 2.106 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccoc2C)n1 ZINC000491555984 332237908 /nfs/dbraw/zinc/23/79/08/332237908.db2.gz UXXRGDPJVUVLRC-UHFFFAOYSA-N 1 2 287.363 2.066 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccoc2C)n1 ZINC000491555984 332237909 /nfs/dbraw/zinc/23/79/09/332237909.db2.gz UXXRGDPJVUVLRC-UHFFFAOYSA-N 1 2 287.363 2.066 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491567049 332239178 /nfs/dbraw/zinc/23/91/78/332239178.db2.gz JJAWHHGDADYTKA-CQSZACIVSA-N 1 2 281.359 2.250 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491567049 332239179 /nfs/dbraw/zinc/23/91/79/332239179.db2.gz JJAWHHGDADYTKA-CQSZACIVSA-N 1 2 281.359 2.250 20 30 CEEDLO C#CC[N@@H+](Cc1ncnn1CCF)C1CCCCC1 ZINC000491659687 332270260 /nfs/dbraw/zinc/27/02/60/332270260.db2.gz CSMNZJNMZYHDJT-UHFFFAOYSA-N 1 2 264.348 2.016 20 30 CEEDLO C#CC[N@H+](Cc1ncnn1CCF)C1CCCCC1 ZINC000491659687 332270261 /nfs/dbraw/zinc/27/02/61/332270261.db2.gz CSMNZJNMZYHDJT-UHFFFAOYSA-N 1 2 264.348 2.016 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000491662419 332272047 /nfs/dbraw/zinc/27/20/47/332272047.db2.gz BURKYJLKHJSLGI-SNVBAGLBSA-N 1 2 282.746 2.049 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000491662419 332272048 /nfs/dbraw/zinc/27/20/48/332272048.db2.gz BURKYJLKHJSLGI-SNVBAGLBSA-N 1 2 282.746 2.049 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000491726015 332309735 /nfs/dbraw/zinc/30/97/35/332309735.db2.gz ITPZAAGZBYYXEM-SNVBAGLBSA-N 1 2 262.740 2.207 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000491726015 332309736 /nfs/dbraw/zinc/30/97/36/332309736.db2.gz ITPZAAGZBYYXEM-SNVBAGLBSA-N 1 2 262.740 2.207 20 30 CEEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1c[nH+]cn1CC ZINC000491728679 332311417 /nfs/dbraw/zinc/31/14/17/332311417.db2.gz BGSBSLNUGSMJKL-OAHLLOKOSA-N 1 2 280.331 2.103 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC(C)C)C(C)(C)C ZINC000491740553 332319653 /nfs/dbraw/zinc/31/96/53/332319653.db2.gz HUCVKHQWWSTZEH-CYBMUJFWSA-N 1 2 290.411 2.386 20 30 CEEDLO C#C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC000491786793 332349392 /nfs/dbraw/zinc/34/93/92/332349392.db2.gz PHBPNCJVEAHTIZ-AWEZNQCLSA-N 1 2 283.375 2.349 20 30 CEEDLO C#C[C@H](CCC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491789794 332351565 /nfs/dbraw/zinc/35/15/65/332351565.db2.gz ZIJNBNSIPHYEQF-LLVKDONJSA-N 1 2 256.309 2.258 20 30 CEEDLO C#CCOc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492854427 332416077 /nfs/dbraw/zinc/41/60/77/332416077.db2.gz DOTZNWWRJMWQLM-BQYQJAHWSA-N 1 2 267.288 2.074 20 30 CEEDLO C#CC[C@@H](CC(F)(F)F)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493799262 332454624 /nfs/dbraw/zinc/45/46/24/332454624.db2.gz XOTLYZPGJHTUJQ-ZADCQDASSA-N 1 2 299.296 2.377 20 30 CEEDLO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1nncn1C ZINC000494783835 332485484 /nfs/dbraw/zinc/48/54/84/332485484.db2.gz TYLCNGLJOGQBJN-LLVKDONJSA-N 1 2 274.755 2.171 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cc(F)ccc2o1 ZINC000568753277 334839258 /nfs/dbraw/zinc/83/92/58/334839258.db2.gz MMJGMHBZLAOJSD-HNNXBMFYSA-N 1 2 289.310 2.146 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000192226417 333232730 /nfs/dbraw/zinc/23/27/30/333232730.db2.gz VMHYEHLTVIRVJA-ZIAGYGMSSA-N 1 2 270.376 2.308 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000192226417 333232732 /nfs/dbraw/zinc/23/27/32/333232732.db2.gz VMHYEHLTVIRVJA-ZIAGYGMSSA-N 1 2 270.376 2.308 20 30 CEEDLO C#CC[N@@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000192227943 333232932 /nfs/dbraw/zinc/23/29/32/333232932.db2.gz MAYUNKVQWZNUHV-UHFFFAOYSA-N 1 2 256.305 2.415 20 30 CEEDLO C#CC[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000192227943 333232934 /nfs/dbraw/zinc/23/29/34/333232934.db2.gz MAYUNKVQWZNUHV-UHFFFAOYSA-N 1 2 256.305 2.415 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000192234812 333233585 /nfs/dbraw/zinc/23/35/85/333233585.db2.gz HHMCQHWDTFBINM-QGZVFWFLSA-N 1 2 288.391 2.074 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000192234812 333233586 /nfs/dbraw/zinc/23/35/86/333233586.db2.gz HHMCQHWDTFBINM-QGZVFWFLSA-N 1 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/nfs/dbraw/zinc/88/51/68/333885168.db2.gz IISOCUBDIIDXMP-SECBINFHSA-N 1 2 277.397 2.472 20 30 CEEDLO C#CC[NH+]1CCN(Cn2cc(-c3ccc(C)cc3)cn2)CC1 ZINC000133010203 334013216 /nfs/dbraw/zinc/01/32/16/334013216.db2.gz RUZQIHWMKGMTNO-UHFFFAOYSA-N 1 2 294.402 2.067 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000134944109 334109133 /nfs/dbraw/zinc/10/91/33/334109133.db2.gz NXWUANNADTVWRY-HNNXBMFYSA-N 1 2 261.369 2.366 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062783 334177940 /nfs/dbraw/zinc/17/79/40/334177940.db2.gz NOEZRSGZSJMRQS-HIFRSBDPSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062783 334177941 /nfs/dbraw/zinc/17/79/41/334177941.db2.gz NOEZRSGZSJMRQS-HIFRSBDPSA-N 1 2 277.412 2.307 20 30 CEEDLO CCn1cc[nH+]c1CN(CCC#N)Cc1ccco1 ZINC000081517554 334193815 /nfs/dbraw/zinc/19/38/15/334193815.db2.gz ILNZLCSSIARCEI-UHFFFAOYSA-N 1 2 258.325 2.412 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 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/nfs/dbraw/zinc/07/80/65/521078065.db2.gz YEZKLUWKIAYGKT-MRXNPFEDSA-N 1 2 272.348 2.301 20 30 CEEDLO C=CCOCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000354605737 526724087 /nfs/dbraw/zinc/72/40/87/526724087.db2.gz WFQBWYJBXWGKAU-UHFFFAOYSA-N 1 2 257.293 2.013 20 30 CEEDLO C#CCOc1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000108519587 527122982 /nfs/dbraw/zinc/12/29/82/527122982.db2.gz KVXJXEMDCGHWSZ-UHFFFAOYSA-N 1 2 298.346 2.107 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccco1 ZINC000353681820 527449063 /nfs/dbraw/zinc/44/90/63/527449063.db2.gz CAAODVZZRVAXQD-CYBMUJFWSA-N 1 2 287.367 2.473 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000344100917 527608279 /nfs/dbraw/zinc/60/82/79/527608279.db2.gz IFSBUBKJLJBBLM-IUODEOHRSA-N 1 2 261.369 2.338 20 30 CEEDLO CC(C)C1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330313294 527645813 /nfs/dbraw/zinc/64/58/13/527645813.db2.gz XCFYWUPDRLCVNC-CQSZACIVSA-N 1 2 290.411 2.480 20 30 CEEDLO CCC[N@H+](CC(=O)OC)Cc1cc(C#N)cs1 ZINC000178870549 527905699 /nfs/dbraw/zinc/90/56/99/527905699.db2.gz WVUIYDBZQLJBKO-UHFFFAOYSA-N 1 2 252.339 2.005 20 30 CEEDLO CCC[N@@H+](CC(=O)OC)Cc1cc(C#N)cs1 ZINC000178870549 527905708 /nfs/dbraw/zinc/90/57/08/527905708.db2.gz WVUIYDBZQLJBKO-UHFFFAOYSA-N 1 2 252.339 2.005 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000332363807 527928580 /nfs/dbraw/zinc/92/85/80/527928580.db2.gz BTNWENMKVDDKLM-HOCLYGCPSA-N 1 2 288.395 2.206 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000332363807 527928583 /nfs/dbraw/zinc/92/85/83/527928583.db2.gz BTNWENMKVDDKLM-HOCLYGCPSA-N 1 2 288.395 2.206 20 30 CEEDLO CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)C[C@@H](C)C#N ZINC000347604692 528768434 /nfs/dbraw/zinc/76/84/34/528768434.db2.gz DODBGWKQFCTUBP-NSHDSACASA-N 1 2 278.352 2.391 20 30 CEEDLO CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)C[C@@H](C)C#N ZINC000347604692 528768436 /nfs/dbraw/zinc/76/84/36/528768436.db2.gz DODBGWKQFCTUBP-NSHDSACASA-N 1 2 278.352 2.391 20 30 CEEDLO CC1(C)C(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000329984972 528871707 /nfs/dbraw/zinc/87/17/07/528871707.db2.gz CSRAQJUVDQNLLG-NSHDSACASA-N 1 2 290.411 2.384 20 30 CEEDLO CC1(C)C(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000329984972 528871712 /nfs/dbraw/zinc/87/17/12/528871712.db2.gz CSRAQJUVDQNLLG-NSHDSACASA-N 1 2 290.411 2.384 20 30 CEEDLO CC[C@H](C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(=O)OC ZINC000348017250 529257442 /nfs/dbraw/zinc/25/74/42/529257442.db2.gz VGTJRSXJBULAJB-WFASDCNBSA-N 1 2 274.364 2.430 20 30 CEEDLO CC[C@@H]1CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330211914 529327926 /nfs/dbraw/zinc/32/79/26/529327926.db2.gz JPQPSBYFKFAWQX-NWDGAFQWSA-N 1 2 262.357 2.159 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(F)F)cc2)CC1 ZINC000726629849 574428150 /nfs/dbraw/zinc/42/81/50/574428150.db2.gz UUBQGDKAQQBVRK-UHFFFAOYSA-N 1 2 278.302 2.015 20 30 CEEDLO C#Cc1ccc(C(=O)OCc2cn3cc(C)ccc3[nH+]2)nc1 ZINC000729007424 574475835 /nfs/dbraw/zinc/47/58/35/574475835.db2.gz 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ZINC000743359310 575050981 /nfs/dbraw/zinc/05/09/81/575050981.db2.gz ZQIKBNUNPVGFBC-CZUORRHYSA-N 1 2 283.375 2.399 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)C/C=C\c2cccc(F)c2)CC1 ZINC000749390662 575217683 /nfs/dbraw/zinc/21/76/83/575217683.db2.gz VKBRTGMDTKUJSH-XQRVVYSFSA-N 1 2 286.350 2.006 20 30 CEEDLO Cc1ccc(NC(=O)NCCCCC#N)c(N(C)C)[nH+]1 ZINC000750405574 575261847 /nfs/dbraw/zinc/26/18/47/575261847.db2.gz KGYSZSILSCUBIY-UHFFFAOYSA-N 1 2 275.356 2.271 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000752090925 575305302 /nfs/dbraw/zinc/30/53/02/575305302.db2.gz DXBLABMIUKMWTD-QWHCGFSZSA-N 1 2 258.793 2.460 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000752090925 575305303 /nfs/dbraw/zinc/30/53/03/575305303.db2.gz DXBLABMIUKMWTD-QWHCGFSZSA-N 1 2 258.793 2.460 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000753110329 575319881 /nfs/dbraw/zinc/31/98/81/575319881.db2.gz MDFOBAFCITYBIB-JTQLQIEISA-N 1 2 267.402 2.073 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000753110329 575319883 /nfs/dbraw/zinc/31/98/83/575319883.db2.gz MDFOBAFCITYBIB-JTQLQIEISA-N 1 2 267.402 2.073 20 30 CEEDLO C[C@]1(C#N)CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000753165156 575321312 /nfs/dbraw/zinc/32/13/12/575321312.db2.gz XOQYAWBYCIYAFW-MRXNPFEDSA-N 1 2 295.346 2.033 20 30 CEEDLO CCCCCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000875765014 649953277 /nfs/dbraw/zinc/95/32/77/649953277.db2.gz YYDZHIYDLKLQPW-UHFFFAOYSA-N 1 2 264.373 2.379 20 30 CEEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824255800 608496901 /nfs/dbraw/zinc/49/69/01/608496901.db2.gz YMIWCZKCXAPVBO-UHFFFAOYSA-N 1 2 290.396 2.300 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824255800 608496903 /nfs/dbraw/zinc/49/69/03/608496903.db2.gz YMIWCZKCXAPVBO-UHFFFAOYSA-N 1 2 290.396 2.300 20 30 CEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981242796 613367675 /nfs/dbraw/zinc/36/76/75/613367675.db2.gz RGMBRDNUPUFWJR-UHFFFAOYSA-N 1 2 276.783 2.269 20 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C#Cc1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1 ZINC000809652913 632122593 /nfs/dbraw/zinc/12/25/93/632122593.db2.gz PQTOATLWKRMAIB-MCBXIFIFSA-N 1 2 261.390 2.009 20 30 CEEDLO CC[N@H+](Cn1nc(CC#N)n(C)c1=S)C1CC(C)(C)C1 ZINC000840183368 632125726 /nfs/dbraw/zinc/12/57/26/632125726.db2.gz FWKYXTSKSYEYEG-UHFFFAOYSA-N 1 2 293.440 2.485 20 30 CEEDLO CC[N@@H+](Cn1nc(CC#N)n(C)c1=S)C1CC(C)(C)C1 ZINC000840183368 632125729 /nfs/dbraw/zinc/12/57/29/632125729.db2.gz FWKYXTSKSYEYEG-UHFFFAOYSA-N 1 2 293.440 2.485 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nnnn1C1CC1 ZINC000810238815 632196671 /nfs/dbraw/zinc/19/66/71/632196671.db2.gz NSLHHVWPIUSMLS-ZUZCIYMTSA-N 1 2 294.362 2.218 20 30 CEEDLO C#CCOc1ccccc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000810289990 632202393 /nfs/dbraw/zinc/20/23/93/632202393.db2.gz MMDLLDYRUNQNEU-UHFFFAOYSA-N 1 2 294.314 2.073 20 30 CEEDLO C#C[C@H](C)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810594504 632234945 /nfs/dbraw/zinc/23/49/45/632234945.db2.gz GNUXUEZLFORKLQ-ZDUSSCGKSA-N 1 2 268.316 2.039 20 30 CEEDLO Cc1cccc(F)c1N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811647657 632412549 /nfs/dbraw/zinc/41/25/49/632412549.db2.gz VQWCUNMDZMDOGE-UHFFFAOYSA-N 1 2 275.331 2.380 20 30 CEEDLO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000927022438 632419881 /nfs/dbraw/zinc/41/98/81/632419881.db2.gz RIDQQEGTYOIBPQ-WCQYABFASA-N 1 2 262.353 2.466 20 30 CEEDLO COC1(C)C[NH+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000813331167 632669429 /nfs/dbraw/zinc/66/94/29/632669429.db2.gz GEYUKJLQGFOFNE-GFCCVEGCSA-N 1 2 260.337 2.198 20 30 CEEDLO C=CCCCS(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000813660929 632721880 /nfs/dbraw/zinc/72/18/80/632721880.db2.gz VJSLRGBSZOSCSC-UHFFFAOYSA-N 1 2 298.408 2.093 20 30 CEEDLO Nc1ccc(/C=C\C(=O)c2ccnn2C2CCC2)c[nH+]1 ZINC000899397697 632824148 /nfs/dbraw/zinc/82/41/48/632824148.db2.gz UFPPCBPZSGSZBK-XQRVVYSFSA-N 1 2 268.320 2.481 20 30 CEEDLO COC(=O)c1ccccc1N[NH+]=C(C)c1ccc(N)nc1 ZINC000814894670 632916748 /nfs/dbraw/zinc/91/67/48/632916748.db2.gz PCXOKIPQBFSHNE-UHFFFAOYSA-N 1 2 284.319 2.287 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000899900097 633081683 /nfs/dbraw/zinc/08/16/83/633081683.db2.gz ILONMLFAZLLMQU-GFCCVEGCSA-N 1 2 267.756 2.260 20 30 CEEDLO CC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000902872907 634865930 /nfs/dbraw/zinc/86/59/30/634865930.db2.gz QYTVLWRRGGDPPC-CQSZACIVSA-N 1 2 282.351 2.121 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900616141 633784103 /nfs/dbraw/zinc/78/41/03/633784103.db2.gz HRCPAXOXCXSRPG-UHFFFAOYSA-N 1 2 285.395 2.255 20 30 CEEDLO C[C@@H]1CC2(CC(=[NH+]n3cc(Br)cn3)C2)CO1 ZINC000901208176 633989001 /nfs/dbraw/zinc/98/90/01/633989001.db2.gz VRTIRBSFGNFNOD-RZZZFEHKSA-N 1 2 284.157 2.439 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901337549 634052610 /nfs/dbraw/zinc/05/26/10/634052610.db2.gz PHVWXGHOEQPHAA-OKFGHLOFSA-N 1 2 280.412 2.126 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2cccnc21 ZINC000901618009 634213372 /nfs/dbraw/zinc/21/33/72/634213372.db2.gz AILHKIVLXAONPR-OCCSQVGLSA-N 1 2 254.337 2.492 20 30 CEEDLO CC[C@H]([NH2+]Cc1nc(COC)n[nH]1)c1cccc(C#N)c1 ZINC000903048928 634954616 /nfs/dbraw/zinc/95/46/16/634954616.db2.gz YSVFLIQBBRERCM-ZDUSSCGKSA-N 1 2 285.351 2.064 20 30 CEEDLO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903105670 634972588 /nfs/dbraw/zinc/97/25/88/634972588.db2.gz HMVCFCJJFKPDCS-CYBMUJFWSA-N 1 2 292.404 2.051 20 30 CEEDLO C#C[C@@](C)(CC)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000823254889 635114205 /nfs/dbraw/zinc/11/42/05/635114205.db2.gz HGDFBJSPOZMLIY-INIZCTEOSA-N 1 2 283.331 2.110 20 30 CEEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000823317318 635135980 /nfs/dbraw/zinc/13/59/80/635135980.db2.gz MPODJOMGXVSXDA-LBPRGKRZSA-N 1 2 282.347 2.434 20 30 CEEDLO C[C@H](CC#N)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000824246335 635386723 /nfs/dbraw/zinc/38/67/23/635386723.db2.gz XGWLEZPGDUNDJF-GFCCVEGCSA-N 1 2 268.320 2.038 20 30 CEEDLO C#CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)C1CC1 ZINC000825519399 635651927 /nfs/dbraw/zinc/65/19/27/635651927.db2.gz FDIZXFNBKDXFFF-UHFFFAOYSA-N 1 2 257.259 2.037 20 30 CEEDLO C#CC[N@H+](Cc1cc(C(F)(F)F)nn1C)C1CC1 ZINC000825519399 635651930 /nfs/dbraw/zinc/65/19/30/635651930.db2.gz FDIZXFNBKDXFFF-UHFFFAOYSA-N 1 2 257.259 2.037 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CC[C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000905002398 635773188 /nfs/dbraw/zinc/77/31/88/635773188.db2.gz NVIWCWDQXFWLAC-HJPCULJESA-N 1 2 290.363 2.078 20 30 CEEDLO C=CC[C@@H]([NH2+]CCCn1cnc2ccccc21)C(=O)OC ZINC000905747095 636408021 /nfs/dbraw/zinc/40/80/21/636408021.db2.gz IUUTWOXSDNUKKN-CQSZACIVSA-N 1 2 287.363 2.134 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000905746755 636408468 /nfs/dbraw/zinc/40/84/68/636408468.db2.gz DCISMBCNNCXPJU-HUUCEWRRSA-N 1 2 259.349 2.251 20 30 CEEDLO C=CC[C@H]([NH2+]CCCN1CCc2ccccc21)C(=O)OC ZINC000905750959 636412259 /nfs/dbraw/zinc/41/22/59/636412259.db2.gz PGMWFTVLXANIHJ-HNNXBMFYSA-N 1 2 288.391 2.147 20 30 CEEDLO C=CC[C@@H]([NH2+][C@H]1CCc2cnn(C(C)C)c2C1)C(=O)OC ZINC000905762739 636449028 /nfs/dbraw/zinc/44/90/28/636449028.db2.gz KIPLTVDLAGZEEP-UONOGXRCSA-N 1 2 291.395 2.029 20 30 CEEDLO C=CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)C(=O)OC ZINC000905762912 636449635 /nfs/dbraw/zinc/44/96/35/636449635.db2.gz OXNMDEVXBBCHFI-QWRGUYRKSA-N 1 2 259.415 2.471 20 30 CEEDLO N#CCC[C@H](C#N)C[NH+]1CC(CC2CCOCC2)C1 ZINC000905976375 636544754 /nfs/dbraw/zinc/54/47/54/636544754.db2.gz CRYDBKVUJHNIBU-CQSZACIVSA-N 1 2 261.369 2.178 20 30 CEEDLO N#C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CC2CCC1CC2 ZINC000906433848 636732025 /nfs/dbraw/zinc/73/20/25/636732025.db2.gz ZQTMPPHRQBKPDG-KVULBXGLSA-N 1 2 287.407 2.013 20 30 CEEDLO CC(C)C#CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000829154510 636789503 /nfs/dbraw/zinc/78/95/03/636789503.db2.gz LNKHYYXFISCPJD-MRXNPFEDSA-N 1 2 295.386 2.480 20 30 CEEDLO C=CCC1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000829695408 636911710 /nfs/dbraw/zinc/91/17/10/636911710.db2.gz FVHLDOCDCKFKAW-UHFFFAOYSA-N 1 2 285.347 2.106 20 30 CEEDLO N#C[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC2CCC1CC2 ZINC000907525212 637041024 /nfs/dbraw/zinc/04/10/24/637041024.db2.gz HRPVKHGJIGBJQN-GROLMSMHSA-N 1 2 298.390 2.034 20 30 CEEDLO CC[N@H+](CCSC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000830999875 637214293 /nfs/dbraw/zinc/21/42/93/637214293.db2.gz XXELJTMQNXVGEU-AWEZNQCLSA-N 1 2 292.404 2.457 20 30 CEEDLO CC[N@@H+](CCSC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000830999875 637214297 /nfs/dbraw/zinc/21/42/97/637214297.db2.gz XXELJTMQNXVGEU-AWEZNQCLSA-N 1 2 292.404 2.457 20 30 CEEDLO C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC000831232673 637261850 /nfs/dbraw/zinc/26/18/50/637261850.db2.gz UZIOFRNXOXVHNS-OAGGEKHMSA-N 1 2 293.370 2.404 20 30 CEEDLO Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C#N ZINC000831784698 637432738 /nfs/dbraw/zinc/43/27/38/637432738.db2.gz JNTSZORTSJLXJI-CYBMUJFWSA-N 1 2 282.347 2.331 20 30 CEEDLO C[C@H](NN=Cc1c[nH+]ccc1N(C)C)C(F)(F)F ZINC000834997920 638012400 /nfs/dbraw/zinc/01/24/00/638012400.db2.gz NDADPDSQWVHXET-QMMMGPOBSA-N 1 2 260.263 2.022 20 30 CEEDLO C[C@H](N[NH+]=Cc1cnccc1N(C)C)C(F)(F)F ZINC000834997920 638012406 /nfs/dbraw/zinc/01/24/06/638012406.db2.gz NDADPDSQWVHXET-QMMMGPOBSA-N 1 2 260.263 2.022 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]NCc1ccccc1F ZINC000835010974 638019396 /nfs/dbraw/zinc/01/93/96/638019396.db2.gz LSDLLTJUUABORV-UHFFFAOYSA-N 1 2 285.326 2.028 20 30 CEEDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876763358 650424747 /nfs/dbraw/zinc/42/47/47/650424747.db2.gz DODMACCMZPQMBQ-LBPRGKRZSA-N 1 2 293.754 2.134 20 30 CEEDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876763358 650424749 /nfs/dbraw/zinc/42/47/49/650424749.db2.gz DODMACCMZPQMBQ-LBPRGKRZSA-N 1 2 293.754 2.134 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000912390169 638675773 /nfs/dbraw/zinc/67/57/73/638675773.db2.gz XOEMYQKLPJCRDN-STTHAQSSSA-N 1 2 292.423 2.080 20 30 CEEDLO Cc1ccc(NC(=O)c2cc(C)c(C#N)cn2)c(N(C)C)[nH+]1 ZINC000837489505 639251677 /nfs/dbraw/zinc/25/16/77/639251677.db2.gz GFQXZVWDXZGISB-UHFFFAOYSA-N 1 2 295.346 2.283 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC000837584146 639294325 /nfs/dbraw/zinc/29/43/25/639294325.db2.gz QXHWEATVLVLTRM-CYBMUJFWSA-N 1 2 273.380 2.176 20 30 CEEDLO CCCCC[C@H](C)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906425 639468237 /nfs/dbraw/zinc/46/82/37/639468237.db2.gz KDNIJBURAFDYQL-ZDUSSCGKSA-N 1 2 265.401 2.307 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1ccn(CC)n1 ZINC000840956457 639600096 /nfs/dbraw/zinc/60/00/96/639600096.db2.gz RJSJPMNELKDDTC-UHFFFAOYSA-N 1 2 269.348 2.205 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000923594967 639737769 /nfs/dbraw/zinc/73/77/69/639737769.db2.gz PEVQHSVDBJVEJU-SNVBAGLBSA-N 1 2 282.290 2.045 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000923594967 639737774 /nfs/dbraw/zinc/73/77/74/639737774.db2.gz PEVQHSVDBJVEJU-SNVBAGLBSA-N 1 2 282.290 2.045 20 30 CEEDLO CCOCCO[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814907600 640014021 /nfs/dbraw/zinc/01/40/21/640014021.db2.gz QDGFQGHFLVKFKT-UHFFFAOYSA-N 1 2 258.268 2.324 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843425410 640425348 /nfs/dbraw/zinc/42/53/48/640425348.db2.gz NQGHRBPEEOFKGU-ZDUSSCGKSA-N 1 2 284.718 2.035 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843425410 640425356 /nfs/dbraw/zinc/42/53/56/640425356.db2.gz NQGHRBPEEOFKGU-ZDUSSCGKSA-N 1 2 284.718 2.035 20 30 CEEDLO C=C[C@H](C)ONC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000844574039 640771151 /nfs/dbraw/zinc/77/11/51/640771151.db2.gz YYTLNFSUNCFNLJ-JTQLQIEISA-N 1 2 264.329 2.084 20 30 CEEDLO C[C@H](CC(=O)Oc1cccc(OCC#N)c1)n1cc[nH+]c1 ZINC000844580028 640773015 /nfs/dbraw/zinc/77/30/15/640773015.db2.gz WPPIXPODNQUNJY-GFCCVEGCSA-N 1 2 285.303 2.342 20 30 CEEDLO C=CCN(C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000154309909 640864215 /nfs/dbraw/zinc/86/42/15/640864215.db2.gz DHJKEOPNRRCOHK-UHFFFAOYSA-N 1 2 263.341 2.034 20 30 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810924406 /nfs/dbraw/zinc/92/44/06/810924406.db2.gz GNPWPRQTQBSGDT-ZDUSSCGKSA-N 1 2 276.767 2.086 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038825236 810924413 /nfs/dbraw/zinc/92/44/13/810924413.db2.gz GNPWPRQTQBSGDT-ZDUSSCGKSA-N 1 2 276.767 2.086 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038827111 810925165 /nfs/dbraw/zinc/92/51/65/810925165.db2.gz PROZEITZQACEFD-CYBMUJFWSA-N 1 2 290.794 2.476 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038827111 810925170 /nfs/dbraw/zinc/92/51/70/810925170.db2.gz PROZEITZQACEFD-CYBMUJFWSA-N 1 2 290.794 2.476 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1Cl ZINC001085838752 810934986 /nfs/dbraw/zinc/93/49/86/810934986.db2.gz QZRHPTBFWKXANB-GFCCVEGCSA-N 1 2 294.757 2.259 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1Cl ZINC001085838752 810934992 /nfs/dbraw/zinc/93/49/92/810934992.db2.gz QZRHPTBFWKXANB-GFCCVEGCSA-N 1 2 294.757 2.259 20 30 CEEDLO 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GFKXXAWUDAINLE-SECBINFHSA-N 1 2 270.279 2.207 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001038994669 810964297 /nfs/dbraw/zinc/96/42/97/810964297.db2.gz CXVYQJIEZOWYNU-ZDUSSCGKSA-N 1 2 290.432 2.446 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(CC)s1 ZINC001038994669 810964299 /nfs/dbraw/zinc/96/42/99/810964299.db2.gz CXVYQJIEZOWYNU-ZDUSSCGKSA-N 1 2 290.432 2.446 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085949592 810979160 /nfs/dbraw/zinc/97/91/60/810979160.db2.gz KAJWLENVGFGENH-LLVKDONJSA-N 1 2 296.317 2.387 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085949592 810979166 /nfs/dbraw/zinc/97/91/66/810979166.db2.gz KAJWLENVGFGENH-LLVKDONJSA-N 1 2 296.317 2.387 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C(F)F ZINC001085949957 810980248 /nfs/dbraw/zinc/98/02/48/810980248.db2.gz SLUBSNNNKXIOBQ-SNVBAGLBSA-N 1 2 298.358 2.465 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C(F)F ZINC001085949957 810980252 /nfs/dbraw/zinc/98/02/52/810980252.db2.gz SLUBSNNNKXIOBQ-SNVBAGLBSA-N 1 2 298.358 2.465 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccccc21 ZINC001085955974 810982533 /nfs/dbraw/zinc/98/25/33/810982533.db2.gz PRUYIQGGMNTIPD-CYBMUJFWSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccccc21 ZINC001085955974 810982538 /nfs/dbraw/zinc/98/25/38/810982538.db2.gz PRUYIQGGMNTIPD-CYBMUJFWSA-N 1 2 298.390 2.285 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962706 810983707 /nfs/dbraw/zinc/98/37/07/810983707.db2.gz NOZUXGRVDKNVOB-GFCCVEGCSA-N 1 2 279.409 2.092 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962706 810983711 /nfs/dbraw/zinc/98/37/11/810983711.db2.gz NOZUXGRVDKNVOB-GFCCVEGCSA-N 1 2 279.409 2.092 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001085997334 810999473 /nfs/dbraw/zinc/99/94/73/810999473.db2.gz OKJSHHXBYNGLJW-LLVKDONJSA-N 1 2 280.368 2.057 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)s1 ZINC001085997334 810999478 /nfs/dbraw/zinc/99/94/78/810999478.db2.gz OKJSHHXBYNGLJW-LLVKDONJSA-N 1 2 280.368 2.057 20 30 CEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108234771 811013003 /nfs/dbraw/zinc/01/30/03/811013003.db2.gz OFQQDCQFWWBGFS-QGZVFWFLSA-N 1 2 294.439 2.043 20 30 CEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108234771 811013009 /nfs/dbraw/zinc/01/30/09/811013009.db2.gz OFQQDCQFWWBGFS-QGZVFWFLSA-N 1 2 294.439 2.043 20 30 CEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC(C)(C)C)C1 ZINC001108289476 811193927 /nfs/dbraw/zinc/19/39/27/811193927.db2.gz KDYHMFZVHVTGMM-KRWDZBQOSA-N 1 2 294.439 2.043 20 30 CEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC(C)(C)C)C1 ZINC001108289476 811193930 /nfs/dbraw/zinc/19/39/30/811193930.db2.gz KDYHMFZVHVTGMM-KRWDZBQOSA-N 1 2 294.439 2.043 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890903 811206718 /nfs/dbraw/zinc/20/67/18/811206718.db2.gz KUZPSBPJHYRVAR-MNOVXSKESA-N 1 2 292.757 2.317 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890903 811206720 /nfs/dbraw/zinc/20/67/20/811206720.db2.gz KUZPSBPJHYRVAR-MNOVXSKESA-N 1 2 292.757 2.317 20 30 CEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(CC)CC)C1 ZINC001108306962 811219114 /nfs/dbraw/zinc/21/91/14/811219114.db2.gz SNWQYKQFGHPTJO-KRWDZBQOSA-N 1 2 294.439 2.043 20 30 CEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(CC)CC)C1 ZINC001108306962 811219121 /nfs/dbraw/zinc/21/91/21/811219121.db2.gz SNWQYKQFGHPTJO-KRWDZBQOSA-N 1 2 294.439 2.043 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)cc2)C1 ZINC001108362162 811235980 /nfs/dbraw/zinc/23/59/80/811235980.db2.gz KUSUGJPYHVWWPN-KRWDZBQOSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)cc2)C1 ZINC001108362162 811235989 /nfs/dbraw/zinc/23/59/89/811235989.db2.gz KUSUGJPYHVWWPN-KRWDZBQOSA-N 1 2 288.391 2.002 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@H](C)CCCC#N)[C@@H](C)OC(C)(C)C ZINC001172483506 815434364 /nfs/dbraw/zinc/43/43/64/815434364.db2.gz RMXPSTHJNDVENY-UPJWGTAASA-N 1 2 284.400 2.404 20 30 CEEDLO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168870304 811274050 /nfs/dbraw/zinc/27/40/50/811274050.db2.gz AGMUEXREDPNYPG-JHJVBQTASA-N 1 2 279.384 2.230 20 30 CEEDLO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168870304 811274058 /nfs/dbraw/zinc/27/40/58/811274058.db2.gz AGMUEXREDPNYPG-JHJVBQTASA-N 1 2 279.384 2.230 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001042874080 811334608 /nfs/dbraw/zinc/33/46/08/811334608.db2.gz HUXBHXTVFQFSPM-GDBMZVCRSA-N 1 2 294.439 2.300 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001043062308 811345382 /nfs/dbraw/zinc/34/53/82/811345382.db2.gz DDDMZIIREUGJDH-AWEZNQCLSA-N 1 2 262.397 2.452 20 30 CEEDLO C=CCOc1ccccc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001043116979 811352021 /nfs/dbraw/zinc/35/20/21/811352021.db2.gz BDOFLAIZRWECMI-UHFFFAOYSA-N 1 2 274.364 2.028 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2sc(C)nc2C)C1 ZINC001043400784 811371705 /nfs/dbraw/zinc/37/17/05/811371705.db2.gz HUJGBWYBOLUDOM-UHFFFAOYSA-N 1 2 293.436 2.021 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001043419414 811371865 /nfs/dbraw/zinc/37/18/65/811371865.db2.gz INXYHMIBABKTPM-HOTGVXAUSA-N 1 2 292.423 2.053 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)nc2C2CC2)C1 ZINC001043492296 811378317 /nfs/dbraw/zinc/37/83/17/811378317.db2.gz YECUTUXJYWZEGT-UHFFFAOYSA-N 1 2 297.402 2.047 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)c(Cl)c2)C1 ZINC001043697080 811397765 /nfs/dbraw/zinc/39/77/65/811397765.db2.gz XJFSINJMGKSKJE-UHFFFAOYSA-N 1 2 294.757 2.259 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)cc2Cl)C1 ZINC001043952024 811416944 /nfs/dbraw/zinc/41/69/44/811416944.db2.gz GVVKAMURIFNGAN-UHFFFAOYSA-N 1 2 290.794 2.428 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccn2C2CCCC2)C1 ZINC001044105117 811438080 /nfs/dbraw/zinc/43/80/80/811438080.db2.gz HSRLNEGQYSFDDS-UHFFFAOYSA-N 1 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C=CCOc1ccccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001139029525 815946877 /nfs/dbraw/zinc/94/68/77/815946877.db2.gz BWNCKBAKPDWGID-HNNXBMFYSA-N 1 2 290.382 2.479 20 30 CEEDLO C=CCOc1ccccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001139029525 815946881 /nfs/dbraw/zinc/94/68/81/815946881.db2.gz BWNCKBAKPDWGID-HNNXBMFYSA-N 1 2 290.382 2.479 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001139029525 815946888 /nfs/dbraw/zinc/94/68/88/815946888.db2.gz BWNCKBAKPDWGID-HNNXBMFYSA-N 1 2 290.382 2.479 20 30 CEEDLO Cn1cc(Nc2ccc(N3CCCCC3)[nH+]c2)c(C#N)n1 ZINC001174523352 816035094 /nfs/dbraw/zinc/03/50/94/816035094.db2.gz YZQSRCHZNKGDGX-UHFFFAOYSA-N 1 2 282.351 2.421 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)nc1 ZINC001139839860 816125875 /nfs/dbraw/zinc/12/58/75/816125875.db2.gz WSUULWCQHPASNJ-CYBMUJFWSA-N 1 2 260.362 2.164 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)nc1 ZINC001139839860 816125880 /nfs/dbraw/zinc/12/58/80/816125880.db2.gz WSUULWCQHPASNJ-CYBMUJFWSA-N 1 2 260.362 2.164 20 30 CEEDLO C#CC[N@@H+](Cc1nccnc1N)[C@@H]1CCc2ccccc21 ZINC001140015705 816166347 /nfs/dbraw/zinc/16/63/47/816166347.db2.gz KTVVFHHGOMMLBG-MRXNPFEDSA-N 1 2 278.359 2.182 20 30 CEEDLO C#CC[N@H+](Cc1nccnc1N)[C@@H]1CCc2ccccc21 ZINC001140015705 816166352 /nfs/dbraw/zinc/16/63/52/816166352.db2.gz KTVVFHHGOMMLBG-MRXNPFEDSA-N 1 2 278.359 2.182 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1=O ZINC001140110693 816192138 /nfs/dbraw/zinc/19/21/38/816192138.db2.gz QOARNMOZJOYECN-LLVKDONJSA-N 1 2 267.332 2.450 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1=O ZINC001140110693 816192141 /nfs/dbraw/zinc/19/21/41/816192141.db2.gz QOARNMOZJOYECN-LLVKDONJSA-N 1 2 267.332 2.450 20 30 CEEDLO C=CC[NH+](CC=C)Cc1cnc(Cl)nc1NC ZINC001142491366 816675859 /nfs/dbraw/zinc/67/58/59/816675859.db2.gz LYKPHCHPOCNFDZ-UHFFFAOYSA-N 1 2 252.749 2.346 20 30 CEEDLO N#Cc1ccc2c(C[NH+]3CCC(=O)CC3)c[nH]c2c1 ZINC001142911688 816754041 /nfs/dbraw/zinc/75/40/41/816754041.db2.gz FOURQYPCFVDOLR-UHFFFAOYSA-N 1 2 253.305 2.204 20 30 CEEDLO C#Cc1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000121243611 365540623 /nfs/dbraw/zinc/54/06/23/365540623.db2.gz REUJEOZNDAMLBR-UHFFFAOYSA-N 1 2 282.347 2.418 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)c1cccc(C#N)c1C ZINC000337843914 214283319 /nfs/dbraw/zinc/28/33/19/214283319.db2.gz CHYNUDOSGCATDB-UHFFFAOYSA-N 1 2 251.289 2.244 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](CC)C1 ZINC000125578829 187191492 /nfs/dbraw/zinc/19/14/92/187191492.db2.gz PRRGJXYHHWPKNX-OAHLLOKOSA-N 1 2 259.349 2.309 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](CC)C1 ZINC000125578829 187191493 /nfs/dbraw/zinc/19/14/93/187191493.db2.gz PRRGJXYHHWPKNX-OAHLLOKOSA-N 1 2 259.349 2.309 20 30 CEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC(=O)NC1 ZINC000328824269 539185581 /nfs/dbraw/zinc/18/55/81/539185581.db2.gz IPFGLAKZVUUAQU-SNVBAGLBSA-N 1 2 276.340 2.042 20 30 CEEDLO COCC#CC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000677133167 539190074 /nfs/dbraw/zinc/19/00/74/539190074.db2.gz KTWBMIMXFWMVGN-ZBFHGGJFSA-N 1 2 259.349 2.098 20 30 CEEDLO COCC#CC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000677133167 539190075 /nfs/dbraw/zinc/19/00/75/539190075.db2.gz KTWBMIMXFWMVGN-ZBFHGGJFSA-N 1 2 259.349 2.098 20 30 CEEDLO O=C(NO)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000671996699 539197789 /nfs/dbraw/zinc/19/77/89/539197789.db2.gz WSQDTKZZZAXNIP-LLVKDONJSA-N 1 2 299.168 2.091 20 30 CEEDLO Cc1cccn2cc(CC(=O)N(C)[C@@H]3CCC[C@@H]3C#N)[nH+]c12 ZINC000601808174 346904228 /nfs/dbraw/zinc/90/42/28/346904228.db2.gz KECAXRQQWXXIAE-UKRRQHHQSA-N 1 2 296.374 2.336 20 30 CEEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000329380928 539238232 /nfs/dbraw/zinc/23/82/32/539238232.db2.gz NRVSQTUXEKUSAS-LLVKDONJSA-N 1 2 263.341 2.401 20 30 CEEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000329380928 539238234 /nfs/dbraw/zinc/23/82/34/539238234.db2.gz NRVSQTUXEKUSAS-LLVKDONJSA-N 1 2 263.341 2.401 20 30 CEEDLO [O-]C(N[C@@H]1CCCC(F)(F)C1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329633913 539244786 /nfs/dbraw/zinc/24/47/86/539244786.db2.gz WWWCAQLUGAUYDL-NXEZZACHSA-N 1 2 298.337 2.349 20 30 CEEDLO CCc1ccc(C#CC(=O)NCc2[nH+]ccn2CC)cc1 ZINC000296772634 529590117 /nfs/dbraw/zinc/59/01/17/529590117.db2.gz CPNOXAKZECBINE-UHFFFAOYSA-N 1 2 281.359 2.133 20 30 CEEDLO O=C(N[C@H]1CCc2ccccc2C1)N1CCn2cc[nH+]c2C1 ZINC000329831115 539254768 /nfs/dbraw/zinc/25/47/68/539254768.db2.gz JZUYRYRGBFCTPN-HNNXBMFYSA-N 1 2 296.374 2.170 20 30 CEEDLO N#Cc1ccc2ncc(C[NH2+]Cc3ncccc3F)n2c1 ZINC000126373064 365708204 /nfs/dbraw/zinc/70/82/04/365708204.db2.gz HWMDEXQAGKTOOA-UHFFFAOYSA-N 1 2 281.294 2.030 20 30 CEEDLO CC[NH+]1CCC(/N=C/c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000005291127 343353932 /nfs/dbraw/zinc/35/39/32/343353932.db2.gz ZXRSBVBOZHZPAB-XNTDXEJSSA-N 1 2 277.324 2.204 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(OC)cc1OC ZINC000046438280 362182218 /nfs/dbraw/zinc/18/22/18/362182218.db2.gz LQPKWAZUXBLZIV-UHFFFAOYSA-N 1 2 290.363 2.316 20 30 CEEDLO N#CC1(C(=O)NCCc2cn3ccccc3[nH+]2)CCCC1 ZINC000032614131 343414270 /nfs/dbraw/zinc/41/42/70/343414270.db2.gz RFXQLHJVZNBRFI-UHFFFAOYSA-N 1 2 282.347 2.077 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000041487873 343441790 /nfs/dbraw/zinc/44/17/90/343441790.db2.gz YDMIBXYGRCAOEP-OLZOCXBDSA-N 1 2 297.362 2.204 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000127673007 365757663 /nfs/dbraw/zinc/75/76/63/365757663.db2.gz KSZXDAGVQYIHRA-QGZVFWFLSA-N 1 2 250.367 2.160 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000127673007 365757671 /nfs/dbraw/zinc/75/76/71/365757671.db2.gz KSZXDAGVQYIHRA-QGZVFWFLSA-N 1 2 250.367 2.160 20 30 CEEDLO CCN(CCC#N)C(=O)CSc1[nH+]cc2ccccn21 ZINC000048597237 343531220 /nfs/dbraw/zinc/53/12/20/343531220.db2.gz YXLZGJQQOWICCN-UHFFFAOYSA-N 1 2 288.376 2.189 20 30 CEEDLO CCc1nnc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000046529103 343501466 /nfs/dbraw/zinc/50/14/66/343501466.db2.gz PTYCUUDGCNKCNJ-UHFFFAOYSA-N 1 2 256.309 2.136 20 30 CEEDLO CCc1nnc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000046529103 343501468 /nfs/dbraw/zinc/50/14/68/343501468.db2.gz PTYCUUDGCNKCNJ-UHFFFAOYSA-N 1 2 256.309 2.136 20 30 CEEDLO Cc1ccc[nH+]c1CCCNc1nccnc1C#N ZINC000295017354 199302004 /nfs/dbraw/zinc/30/20/04/199302004.db2.gz QCYNMMRVLDWQCO-UHFFFAOYSA-N 1 2 253.309 2.096 20 30 CEEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000127880165 365765842 /nfs/dbraw/zinc/76/58/42/365765842.db2.gz QBEGBDACVJZCTO-UONOGXRCSA-N 1 2 288.395 2.314 20 30 CEEDLO N#Cc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000058860025 343649648 /nfs/dbraw/zinc/64/96/48/343649648.db2.gz GWEWUWWTTNKKIC-UHFFFAOYSA-N 1 2 289.726 2.230 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)c(Cl)c1 ZINC000067407235 343736313 /nfs/dbraw/zinc/73/63/13/343736313.db2.gz NYBJIJJJOYGUMI-JTQLQIEISA-N 1 2 265.744 2.479 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)C[C@@H](C)C#N ZINC000067978573 343751061 /nfs/dbraw/zinc/75/10/61/343751061.db2.gz XRIHDLJARFVETK-ZDUSSCGKSA-N 1 2 291.370 2.266 20 30 CEEDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1F)C[C@@H](C)C#N ZINC000067978573 343751063 /nfs/dbraw/zinc/75/10/63/343751063.db2.gz XRIHDLJARFVETK-ZDUSSCGKSA-N 1 2 291.370 2.266 20 30 CEEDLO Cc1cn2ccc(C(=O)N3CCC[C@@](C)(C#N)C3)cc2[nH+]1 ZINC000602135898 346980610 /nfs/dbraw/zinc/98/06/10/346980610.db2.gz MSSUBNZTTIWKDS-INIZCTEOSA-N 1 2 282.347 2.409 20 30 CEEDLO CC(C)C[C@H](C(=O)NCC1(C#N)CCC1)n1cc[nH+]c1 ZINC000602165724 346986211 /nfs/dbraw/zinc/98/62/11/346986211.db2.gz TVZLSOIMVLZHEV-CYBMUJFWSA-N 1 2 274.368 2.280 20 30 CEEDLO Cc1cn2ccc(C(=O)N3CCC[C@H](CC#N)C3)cc2[nH+]1 ZINC000602177252 346989064 /nfs/dbraw/zinc/98/90/64/346989064.db2.gz FYHQBLWEXAJNGN-CYBMUJFWSA-N 1 2 282.347 2.409 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075555989 343857506 /nfs/dbraw/zinc/85/75/06/343857506.db2.gz YOKZNWGGHGXMSV-AWEZNQCLSA-N 1 2 280.331 2.301 20 30 CEEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000622824206 349889561 /nfs/dbraw/zinc/88/95/61/349889561.db2.gz VDEACFFKWFDGCJ-CQSZACIVSA-N 1 2 275.352 2.108 20 30 CEEDLO C=CC[N@@H+](Cc1n[nH]c(=O)[nH]1)CC1CCCCC1 ZINC000091576434 344167238 /nfs/dbraw/zinc/16/72/38/344167238.db2.gz MXVARBWKETUPTD-UHFFFAOYSA-N 1 2 250.346 2.079 20 30 CEEDLO C=CC[N@H+](Cc1n[nH]c(=O)[nH]1)CC1CCCCC1 ZINC000091576434 344167240 /nfs/dbraw/zinc/16/72/40/344167240.db2.gz MXVARBWKETUPTD-UHFFFAOYSA-N 1 2 250.346 2.079 20 30 CEEDLO N#Cc1ccncc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000091740408 344171993 /nfs/dbraw/zinc/17/19/93/344171993.db2.gz HTQMAIZXQMMNBT-CQSZACIVSA-N 1 2 266.304 2.006 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc(COC)cc1 ZINC000093100018 344213989 /nfs/dbraw/zinc/21/39/89/344213989.db2.gz IWIVSWYNKLZYOY-UHFFFAOYSA-N 1 2 262.353 2.195 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(COC)cc1 ZINC000093100018 344213991 /nfs/dbraw/zinc/21/39/91/344213991.db2.gz IWIVSWYNKLZYOY-UHFFFAOYSA-N 1 2 262.353 2.195 20 30 CEEDLO N#CC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000119288182 344294322 /nfs/dbraw/zinc/29/43/22/344294322.db2.gz QBYUBCOINRIJSC-UHFFFAOYSA-N 1 2 299.374 2.151 20 30 CEEDLO C[N@H+](Cc1cnc2cnccn12)Cc1cc(C#N)ccc1F ZINC000156510106 344442548 /nfs/dbraw/zinc/44/25/48/344442548.db2.gz LJVSNNFUEHMCGW-UHFFFAOYSA-N 1 2 295.321 2.372 20 30 CEEDLO C[N@@H+](Cc1cnc2cnccn12)Cc1cc(C#N)ccc1F ZINC000156510106 344442551 /nfs/dbraw/zinc/44/25/51/344442551.db2.gz LJVSNNFUEHMCGW-UHFFFAOYSA-N 1 2 295.321 2.372 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000052129673 362468696 /nfs/dbraw/zinc/46/86/96/362468696.db2.gz VUJZWNFXFCGKTC-UHFFFAOYSA-N 1 2 262.328 2.078 20 30 CEEDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000397616352 344851718 /nfs/dbraw/zinc/85/17/18/344851718.db2.gz QMCAMMSZFGNYQJ-CYBMUJFWSA-N 1 2 287.363 2.259 20 30 CEEDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000397616352 344851720 /nfs/dbraw/zinc/85/17/20/344851720.db2.gz QMCAMMSZFGNYQJ-CYBMUJFWSA-N 1 2 287.363 2.259 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000491812803 344914860 /nfs/dbraw/zinc/91/48/60/344914860.db2.gz JBCYSDVEDNMHGG-AWEZNQCLSA-N 1 2 279.405 2.112 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000491812803 344914862 /nfs/dbraw/zinc/91/48/62/344914862.db2.gz JBCYSDVEDNMHGG-AWEZNQCLSA-N 1 2 279.405 2.112 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000569499886 344944559 /nfs/dbraw/zinc/94/45/59/344944559.db2.gz HBJCFORAJGJIOG-GXTWGEPZSA-N 1 2 257.337 2.222 20 30 CEEDLO N#Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1Cl ZINC000588731983 345053820 /nfs/dbraw/zinc/05/38/20/345053820.db2.gz IREYJVYWVVUGHB-UHFFFAOYSA-N 1 2 288.738 2.184 20 30 CEEDLO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1c(F)cncc1F ZINC000586786937 345021721 /nfs/dbraw/zinc/02/17/21/345021721.db2.gz XWFDTXLBZBFPPD-VIFPVBQESA-N 1 2 274.274 2.477 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000586792389 345022828 /nfs/dbraw/zinc/02/28/28/345022828.db2.gz SYPKSHSJNQCEHY-INIZCTEOSA-N 1 2 284.363 2.241 20 30 CEEDLO Cc1cc(C#N)cc(NCCc2ccc(C)[nH+]c2)n1 ZINC000587975294 345032434 /nfs/dbraw/zinc/03/24/34/345032434.db2.gz 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/nfs/dbraw/zinc/22/36/62/345223662.db2.gz IDEZYQRUXVYESE-JTQLQIEISA-N 1 2 281.319 2.326 20 30 CEEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)C(C)(C)CO1 ZINC000592069893 345318726 /nfs/dbraw/zinc/31/87/26/345318726.db2.gz YCXPOAGNMYWKHT-UHFFFAOYSA-N 1 2 259.353 2.343 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)C(C)(C)CO1 ZINC000592069893 345318729 /nfs/dbraw/zinc/31/87/29/345318729.db2.gz YCXPOAGNMYWKHT-UHFFFAOYSA-N 1 2 259.353 2.343 20 30 CEEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccncc1C#N ZINC000592083698 345319658 /nfs/dbraw/zinc/31/96/58/345319658.db2.gz FJARAVWUWXTPAX-OAHLLOKOSA-N 1 2 281.363 2.196 20 30 CEEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccncc1C#N ZINC000592083698 345319659 /nfs/dbraw/zinc/31/96/59/345319659.db2.gz FJARAVWUWXTPAX-OAHLLOKOSA-N 1 2 281.363 2.196 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(F)c(Cl)c1 ZINC000591771766 345279968 /nfs/dbraw/zinc/27/99/68/345279968.db2.gz MAGWFNAKVSGMEC-LLVKDONJSA-N 1 2 285.750 2.097 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(F)c(Cl)c1 ZINC000591771766 345279971 /nfs/dbraw/zinc/27/99/71/345279971.db2.gz MAGWFNAKVSGMEC-LLVKDONJSA-N 1 2 285.750 2.097 20 30 CEEDLO Cc1cc(NC[C@H]2OCCc3ccccc32)c(C#N)c[nH+]1 ZINC000591820293 345284727 /nfs/dbraw/zinc/28/47/27/345284727.db2.gz PKLZUTQPBVQKML-QGZVFWFLSA-N 1 2 279.343 2.410 20 30 CEEDLO Cc1cc(N2CC(C3CCOCC3)C2)c(C#N)c[nH+]1 ZINC000591824909 345286107 /nfs/dbraw/zinc/28/61/07/345286107.db2.gz JMPLCDFZBDMZBT-UHFFFAOYSA-N 1 2 257.337 2.125 20 30 CEEDLO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CC2(CCCC2)O1 ZINC000592189823 345335676 /nfs/dbraw/zinc/33/56/76/345335676.db2.gz XDZMYRMOHBQUAD-KBPBESRZSA-N 1 2 261.369 2.463 20 30 CEEDLO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC2(CCCC2)O1 ZINC000592189823 345335679 /nfs/dbraw/zinc/33/56/79/345335679.db2.gz XDZMYRMOHBQUAD-KBPBESRZSA-N 1 2 261.369 2.463 20 30 CEEDLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148642 345330405 /nfs/dbraw/zinc/33/04/05/345330405.db2.gz YJBJHXWSLIJCPE-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1ccc(Cl)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148642 345330408 /nfs/dbraw/zinc/33/04/08/345330408.db2.gz YJBJHXWSLIJCPE-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000068481669 260256363 /nfs/dbraw/zinc/25/63/63/260256363.db2.gz AYASAKMNDGITRK-GHMZBOCLSA-N 1 2 266.366 2.043 20 30 CEEDLO CC(C)O[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000593054616 345429921 /nfs/dbraw/zinc/42/99/21/345429921.db2.gz XHTUXAYWRGHGBB-LBPRGKRZSA-N 1 2 265.382 2.404 20 30 CEEDLO CC(C)O[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000593054616 345429922 /nfs/dbraw/zinc/42/99/22/345429922.db2.gz XHTUXAYWRGHGBB-LBPRGKRZSA-N 1 2 265.382 2.404 20 30 CEEDLO CCC[C@H](CC(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153657 345448012 /nfs/dbraw/zinc/44/80/12/345448012.db2.gz ZYEQIMCXNLHHRG-HIFRSBDPSA-N 1 2 267.417 2.409 20 30 CEEDLO N#Cc1ccc(CNC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000057780965 362595922 /nfs/dbraw/zinc/59/59/22/362595922.db2.gz LNZDSGWZLZYKGG-UHFFFAOYSA-N 1 2 276.299 2.136 20 30 CEEDLO COc1cc(OC)c(C[NH2+]CC(C)(C)C#N)cc1F ZINC000593615184 345513901 /nfs/dbraw/zinc/51/39/01/345513901.db2.gz NAHDYYUABPAEQI-UHFFFAOYSA-N 1 2 266.316 2.482 20 30 CEEDLO CC(C)(CCC#N)C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593661611 345517937 /nfs/dbraw/zinc/51/79/37/345517937.db2.gz SDFFOTSFEHKGGT-UHFFFAOYSA-N 1 2 287.411 2.376 20 30 CEEDLO CC(C)(CCC#N)C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593661611 345517938 /nfs/dbraw/zinc/51/79/38/345517938.db2.gz SDFFOTSFEHKGGT-UHFFFAOYSA-N 1 2 287.411 2.376 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594254350 345605755 /nfs/dbraw/zinc/60/57/55/345605755.db2.gz RQMSGPRGTCYWAH-UHFFFAOYSA-N 1 2 295.346 2.000 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C#N)CC(C)C)ccn12 ZINC000594284573 345608383 /nfs/dbraw/zinc/60/83/83/345608383.db2.gz CIPBADLRZXZYBP-CYBMUJFWSA-N 1 2 270.336 2.311 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCCCC#N ZINC000594297765 345609711 /nfs/dbraw/zinc/60/97/11/345609711.db2.gz FATBDXOGGIILKC-UHFFFAOYSA-N 1 2 262.357 2.239 20 30 CEEDLO N#CCCCCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000594360946 345616540 /nfs/dbraw/zinc/61/65/40/345616540.db2.gz BTTINJIXDHGKAE-UHFFFAOYSA-N 1 2 287.354 2.164 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C#N)CC2)[C@@H]1C ZINC000057907332 362601376 /nfs/dbraw/zinc/60/13/76/362601376.db2.gz CMPBOISRYSNIIH-NFAWXSAZSA-N 1 2 277.412 2.163 20 30 CEEDLO N#CC1(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CCCCC1 ZINC000594716608 345678069 /nfs/dbraw/zinc/67/80/69/345678069.db2.gz CCDUPOPEHLGNLC-AWEZNQCLSA-N 1 2 289.354 2.416 20 30 CEEDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ncnn21 ZINC000594957554 345716742 /nfs/dbraw/zinc/71/67/42/345716742.db2.gz RTHJPSRMQWLCPI-GZMMTYOYSA-N 1 2 259.338 2.007 20 30 CEEDLO N#Cc1cccc(C2([NH2+]Cc3cocn3)CCOCC2)c1 ZINC000594981032 345721489 /nfs/dbraw/zinc/72/14/89/345721489.db2.gz SLHCUAPXSKKGEP-UHFFFAOYSA-N 1 2 283.331 2.342 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nnc2n1CCCCC2 ZINC000595431376 345780932 /nfs/dbraw/zinc/78/09/32/345780932.db2.gz BEKGVVJIWIVCRS-GFCCVEGCSA-N 1 2 296.378 2.122 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595680461 345847311 /nfs/dbraw/zinc/84/73/11/345847311.db2.gz HLLIFTPZFHMRSB-ZDUSSCGKSA-N 1 2 299.374 2.140 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595680461 345847317 /nfs/dbraw/zinc/84/73/17/345847317.db2.gz HLLIFTPZFHMRSB-ZDUSSCGKSA-N 1 2 299.374 2.140 20 30 CEEDLO COC(=O)c1occc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610757 345826855 /nfs/dbraw/zinc/82/68/55/345826855.db2.gz BQVSAYFLTRNAGW-NSHDSACASA-N 1 2 262.309 2.192 20 30 CEEDLO COC(=O)c1occc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610757 345826857 /nfs/dbraw/zinc/82/68/57/345826857.db2.gz BQVSAYFLTRNAGW-NSHDSACASA-N 1 2 262.309 2.192 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595614695 345828205 /nfs/dbraw/zinc/82/82/05/345828205.db2.gz MPZMGQWINOTREM-NEPJUHHUSA-N 1 2 278.356 2.293 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595614695 345828207 /nfs/dbraw/zinc/82/82/07/345828207.db2.gz MPZMGQWINOTREM-NEPJUHHUSA-N 1 2 278.356 2.293 20 30 CEEDLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619558 345829752 /nfs/dbraw/zinc/82/97/52/345829752.db2.gz DEBMNTPTIWFIEQ-ZDUSSCGKSA-N 1 2 261.373 2.122 20 30 CEEDLO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619558 345829753 /nfs/dbraw/zinc/82/97/53/345829753.db2.gz DEBMNTPTIWFIEQ-ZDUSSCGKSA-N 1 2 261.373 2.122 20 30 CEEDLO CCN(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595833546 345890184 /nfs/dbraw/zinc/89/01/84/345890184.db2.gz DHJPHGLWSRTRFF-MRXNPFEDSA-N 1 2 277.412 2.403 20 30 CEEDLO CCN(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595833546 345890187 /nfs/dbraw/zinc/89/01/87/345890187.db2.gz DHJPHGLWSRTRFF-MRXNPFEDSA-N 1 2 277.412 2.403 20 30 CEEDLO CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834434 345891097 /nfs/dbraw/zinc/89/10/97/345891097.db2.gz LEJJICXDJBCFJB-SFHVURJKSA-N 1 2 299.418 2.443 20 30 CEEDLO CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834434 345891101 /nfs/dbraw/zinc/89/11/01/345891101.db2.gz LEJJICXDJBCFJB-SFHVURJKSA-N 1 2 299.418 2.443 20 30 CEEDLO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000595836356 345892416 /nfs/dbraw/zinc/89/24/16/345892416.db2.gz YMEPTFYAPWYIPQ-ZFWWWQNUSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000595836356 345892417 /nfs/dbraw/zinc/89/24/17/345892417.db2.gz YMEPTFYAPWYIPQ-ZFWWWQNUSA-N 1 2 265.401 2.256 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835631 345892519 /nfs/dbraw/zinc/89/25/19/345892519.db2.gz SKQZQTXLTXTGRE-KQTLUZQSSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835631 345892521 /nfs/dbraw/zinc/89/25/21/345892521.db2.gz SKQZQTXLTXTGRE-KQTLUZQSSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000595839169 345893723 /nfs/dbraw/zinc/89/37/23/345893723.db2.gz CJKMNLLYEDBEPK-NVXWUHKLSA-N 1 2 283.375 2.242 20 30 CEEDLO C[C@]1(C#N)CC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000595839169 345893726 /nfs/dbraw/zinc/89/37/26/345893726.db2.gz CJKMNLLYEDBEPK-NVXWUHKLSA-N 1 2 283.375 2.242 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844392 345896878 /nfs/dbraw/zinc/89/68/78/345896878.db2.gz SMISLUAQXXAFPQ-OAHLLOKOSA-N 1 2 255.321 2.302 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)c(C#N)c1C ZINC000595805670 345879578 /nfs/dbraw/zinc/87/95/78/345879578.db2.gz AMYRUKJXTPOUTJ-RYUDHWBXSA-N 1 2 273.336 2.048 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)c(C#N)c1C ZINC000595805670 345879580 /nfs/dbraw/zinc/87/95/80/345879580.db2.gz AMYRUKJXTPOUTJ-RYUDHWBXSA-N 1 2 273.336 2.048 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844392 345896881 /nfs/dbraw/zinc/89/68/81/345896881.db2.gz SMISLUAQXXAFPQ-OAHLLOKOSA-N 1 2 255.321 2.302 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000595881101 345905615 /nfs/dbraw/zinc/90/56/15/345905615.db2.gz PZERFMKOEGOTGB-UKRRQHHQSA-N 1 2 259.349 2.376 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000595881101 345905617 /nfs/dbraw/zinc/90/56/17/345905617.db2.gz PZERFMKOEGOTGB-UKRRQHHQSA-N 1 2 259.349 2.376 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](CC(F)(F)F)C2)C1 ZINC000595884961 345906173 /nfs/dbraw/zinc/90/61/73/345906173.db2.gz CRVJDMUMLDZPOT-VWYCJHECSA-N 1 2 262.275 2.332 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](CC(F)(F)F)C2)C1 ZINC000595884961 345906175 /nfs/dbraw/zinc/90/61/75/345906175.db2.gz CRVJDMUMLDZPOT-VWYCJHECSA-N 1 2 262.275 2.332 20 30 CEEDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](CCC#N)C2)s1 ZINC000595914833 345911893 /nfs/dbraw/zinc/91/18/93/345911893.db2.gz OZJUXJDYMFSYJN-SNVBAGLBSA-N 1 2 279.365 2.023 20 30 CEEDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCC#N)C2)s1 ZINC000595914833 345911894 /nfs/dbraw/zinc/91/18/94/345911894.db2.gz OZJUXJDYMFSYJN-SNVBAGLBSA-N 1 2 279.365 2.023 20 30 CEEDLO Cc1ccc(C#N)nc1NCc1ccc(N(C)C)[nH+]c1 ZINC000596075027 345933473 /nfs/dbraw/zinc/93/34/73/345933473.db2.gz XHQKHKLKUZINSU-UHFFFAOYSA-N 1 2 267.336 2.335 20 30 CEEDLO N#Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)sc1Cl ZINC000596077377 345934124 /nfs/dbraw/zinc/93/41/24/345934124.db2.gz VLPGDAQKADYYJL-WCBMZHEXSA-N 1 2 282.800 2.129 20 30 CEEDLO N#Cc1nc(N[C@H]2CC[N@H+]3CCCC[C@H]23)sc1Cl ZINC000596077377 345934128 /nfs/dbraw/zinc/93/41/28/345934128.db2.gz VLPGDAQKADYYJL-WCBMZHEXSA-N 1 2 282.800 2.129 20 30 CEEDLO CCc1cc(N2CC(CC#N)C2)nc(-c2ccncc2)[nH+]1 ZINC000596432980 346022673 /nfs/dbraw/zinc/02/26/73/346022673.db2.gz MPTNRDUDZJAWDE-UHFFFAOYSA-N 1 2 279.347 2.451 20 30 CEEDLO Cc1cc(NC[C@H](C)c2ccccn2)c(C#N)c[nH+]1 ZINC000596314356 345997117 /nfs/dbraw/zinc/99/71/17/345997117.db2.gz XIAFPVRVWQPQNI-NSHDSACASA-N 1 2 252.321 2.294 20 30 CEEDLO CC(C)(C)[N@@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596336610 346003399 /nfs/dbraw/zinc/00/33/99/346003399.db2.gz QRBMTIMIDKPDAW-MRVPVSSYSA-N 1 2 284.816 2.375 20 30 CEEDLO CC(C)(C)[N@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596336610 346003403 /nfs/dbraw/zinc/00/34/03/346003403.db2.gz QRBMTIMIDKPDAW-MRVPVSSYSA-N 1 2 284.816 2.375 20 30 CEEDLO C[C@H]1C[N@H+](CCNc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000596434027 346023345 /nfs/dbraw/zinc/02/33/45/346023345.db2.gz WQQKLDPQVXQJSQ-RYUDHWBXSA-N 1 2 277.343 2.218 20 30 CEEDLO C[C@H]1C[N@@H+](CCNc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000596434027 346023346 /nfs/dbraw/zinc/02/33/46/346023346.db2.gz WQQKLDPQVXQJSQ-RYUDHWBXSA-N 1 2 277.343 2.218 20 30 CEEDLO Cc1cc(C#N)cc(NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000596357980 346006745 /nfs/dbraw/zinc/00/67/45/346006745.db2.gz WQGGLEGYXCEHPC-UHFFFAOYSA-N 1 2 293.374 2.291 20 30 CEEDLO Cc1ccc(NCc2ccc[nH+]c2N2CCCC2)nc1C#N ZINC000596358035 346006877 /nfs/dbraw/zinc/00/68/77/346006877.db2.gz WVMVMQJIYCGGPM-UHFFFAOYSA-N 1 2 293.374 2.291 20 30 CEEDLO CC(=O)c1ccc(C#N)c(N(C)Cc2[nH+]ccn2C)c1 ZINC000273269300 192094200 /nfs/dbraw/zinc/09/42/00/192094200.db2.gz ZNZBDTGOLWVZIX-UHFFFAOYSA-N 1 2 268.320 2.131 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000596740177 346082720 /nfs/dbraw/zinc/08/27/20/346082720.db2.gz CZVHBORWFKUGKW-SMDDNHRTSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000596740177 346082722 /nfs/dbraw/zinc/08/27/22/346082722.db2.gz CZVHBORWFKUGKW-SMDDNHRTSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CC1(C#N)CCCCC1 ZINC000596811400 346092718 /nfs/dbraw/zinc/09/27/18/346092718.db2.gz DAOGMBVQIYEBBL-CYBMUJFWSA-N 1 2 274.368 2.252 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)cc1F ZINC000596594219 346061996 /nfs/dbraw/zinc/06/19/96/346061996.db2.gz QMDIVQGWJGRIAD-UHFFFAOYSA-N 1 2 270.311 2.369 20 30 CEEDLO C[C@]1(C2CC2)C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000597178093 346142100 /nfs/dbraw/zinc/14/21/00/346142100.db2.gz ALORYHKCGXYHMY-QGZVFWFLSA-N 1 2 296.374 2.207 20 30 CEEDLO C[C@]1(C2CC2)C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000597178093 346142102 /nfs/dbraw/zinc/14/21/02/346142102.db2.gz ALORYHKCGXYHMY-QGZVFWFLSA-N 1 2 296.374 2.207 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596992070 346112429 /nfs/dbraw/zinc/11/24/29/346112429.db2.gz PSMZIJIQBQSEDW-CJNGLKHVSA-N 1 2 274.364 2.446 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596992070 346112432 /nfs/dbraw/zinc/11/24/32/346112432.db2.gz PSMZIJIQBQSEDW-CJNGLKHVSA-N 1 2 274.364 2.446 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000597813801 346235135 /nfs/dbraw/zinc/23/51/35/346235135.db2.gz APMNAGNGSLQBPC-HIFRSBDPSA-N 1 2 296.374 2.370 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000597855388 346238975 /nfs/dbraw/zinc/23/89/75/346238975.db2.gz ATGSHXHNXUZYOS-CQSZACIVSA-N 1 2 282.347 2.456 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000597855388 346238978 /nfs/dbraw/zinc/23/89/78/346238978.db2.gz ATGSHXHNXUZYOS-CQSZACIVSA-N 1 2 282.347 2.456 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@](C)(C#N)C3)ccn12 ZINC000598418659 346353163 /nfs/dbraw/zinc/35/31/63/346353163.db2.gz BVUPHVKROLMZIC-OAHLLOKOSA-N 1 2 268.320 2.019 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465356 346361248 /nfs/dbraw/zinc/36/12/48/346361248.db2.gz QNXUJOPUJDHECQ-LLVKDONJSA-N 1 2 268.320 2.091 20 30 CEEDLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598836935 346425719 /nfs/dbraw/zinc/42/57/19/346425719.db2.gz SFNJGYJPDDNNKE-ZMSDIMECSA-N 1 2 285.391 2.059 20 30 CEEDLO CN1c2ccccc2C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000598948111 346436434 /nfs/dbraw/zinc/43/64/34/346436434.db2.gz PMBFAJMMOCGADZ-TZMCWYRMSA-N 1 2 269.348 2.157 20 30 CEEDLO CN1c2ccccc2C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000598948111 346436435 /nfs/dbraw/zinc/43/64/35/346436435.db2.gz PMBFAJMMOCGADZ-TZMCWYRMSA-N 1 2 269.348 2.157 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1ccncc1Br ZINC000602608344 347099038 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CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602609653 347100302 /nfs/dbraw/zinc/10/03/02/347100302.db2.gz FDCKOBKLFJQYLB-LLVKDONJSA-N 1 2 292.383 2.157 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623286775 349974611 /nfs/dbraw/zinc/97/46/11/349974611.db2.gz CBDMHAZWEYZLRG-ZDUSSCGKSA-N 1 2 297.196 2.139 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286775 349974614 /nfs/dbraw/zinc/97/46/14/349974614.db2.gz CBDMHAZWEYZLRG-ZDUSSCGKSA-N 1 2 297.196 2.139 20 30 CEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000129167233 365832091 /nfs/dbraw/zinc/83/20/91/365832091.db2.gz SQTMCRRATXHEBU-AWEZNQCLSA-N 1 2 273.380 2.391 20 30 CEEDLO C=CCC[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OCC ZINC000600170085 346613091 /nfs/dbraw/zinc/61/30/91/346613091.db2.gz WBRQRUDZWQELRA-GFCCVEGCSA-N 1 2 265.357 2.014 20 30 CEEDLO COc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ccc1C#N ZINC000600205450 346622871 /nfs/dbraw/zinc/62/28/71/346622871.db2.gz RIUUAJOXFBGEQO-CQSZACIVSA-N 1 2 278.327 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Cc1[nH]c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c[nH+]1 ZINC000335930118 365175198 /nfs/dbraw/zinc/17/51/98/365175198.db2.gz HFAQGZKGEYVYAP-SECBINFHSA-N 1 2 254.293 2.081 20 30 CEEDLO C=CCN(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000275343111 193006660 /nfs/dbraw/zinc/00/66/60/193006660.db2.gz XQVURVFUUDDOQK-UHFFFAOYSA-N 1 2 284.363 2.259 20 30 CEEDLO COC(=O)C1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000118862866 365187254 /nfs/dbraw/zinc/18/72/54/365187254.db2.gz TVIRYZFEIGHARL-UHFFFAOYSA-N 1 2 258.321 2.134 20 30 CEEDLO COc1cccc([C@@H]2C[N@H+](CCCC#N)CCO2)c1 ZINC000119473705 365278527 /nfs/dbraw/zinc/27/85/27/365278527.db2.gz DSWQTLKVNCDMTB-HNNXBMFYSA-N 1 2 260.337 2.372 20 30 CEEDLO COc1cccc([C@@H]2C[N@@H+](CCCC#N)CCO2)c1 ZINC000119473705 365278528 /nfs/dbraw/zinc/27/85/28/365278528.db2.gz DSWQTLKVNCDMTB-HNNXBMFYSA-N 1 2 260.337 2.372 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOCC1(C)C ZINC000120707524 365463649 /nfs/dbraw/zinc/46/36/49/365463649.db2.gz ZMEPHCDNDOEVOB-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCOCC1(C)C ZINC000120707524 365463653 /nfs/dbraw/zinc/46/36/53/365463653.db2.gz ZMEPHCDNDOEVOB-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000275785652 193127905 /nfs/dbraw/zinc/12/79/05/193127905.db2.gz NBPWSLOUNKHMHW-CZUORRHYSA-N 1 2 291.395 2.345 20 30 CEEDLO CC(C)S(=O)(=O)CCC[N@H+](CCC#N)CC(C)(C)C ZINC000120657934 365457542 /nfs/dbraw/zinc/45/75/42/365457542.db2.gz FMLMNEAZCHEFEO-UHFFFAOYSA-N 1 2 288.457 2.461 20 30 CEEDLO CC(C)S(=O)(=O)CCC[N@@H+](CCC#N)CC(C)(C)C ZINC000120657934 365457545 /nfs/dbraw/zinc/45/75/45/365457545.db2.gz FMLMNEAZCHEFEO-UHFFFAOYSA-N 1 2 288.457 2.461 20 30 CEEDLO COc1cc(F)c(C[NH2+]C[C@@H](C)C#N)cc1OC ZINC000582305965 366892770 /nfs/dbraw/zinc/89/27/70/366892770.db2.gz WCMCQBXGBFRANX-VIFPVBQESA-N 1 2 252.289 2.092 20 30 CEEDLO CC(C)(CCC#N)CNc1nc(N)c2ccccc2[nH+]1 ZINC000582381949 366903174 /nfs/dbraw/zinc/90/31/74/366903174.db2.gz MQQSCDBCODWJAK-UHFFFAOYSA-N 1 2 269.352 2.206 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000583218973 367018676 /nfs/dbraw/zinc/01/86/76/367018676.db2.gz PJGYFXXXTUHUQV-CYBMUJFWSA-N 1 2 295.346 2.352 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000583266368 367023742 /nfs/dbraw/zinc/02/37/42/367023742.db2.gz HSADFNLAYDADAS-RDTXWAMCSA-N 1 2 299.418 2.142 20 30 CEEDLO Cc1oc2ccccc2c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583634264 367075981 /nfs/dbraw/zinc/07/59/81/367075981.db2.gz POLCUQYVEQLACD-QGZVFWFLSA-N 1 2 299.374 2.244 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000584404999 367153593 /nfs/dbraw/zinc/15/35/93/367153593.db2.gz HKKUXJDNMZIWIB-JFGNBEQYSA-N 1 2 273.365 2.237 20 30 CEEDLO N#C[C@]1(F)CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000615638252 367231198 /nfs/dbraw/zinc/23/11/98/367231198.db2.gz MRGFIRGFZVSCNA-MRXNPFEDSA-N 1 2 284.338 2.369 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccccc1F ZINC000171632314 367582071 /nfs/dbraw/zinc/58/20/71/367582071.db2.gz 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/nfs/dbraw/zinc/93/56/46/367935646.db2.gz LRTMBGBRKRQTBK-UHFFFAOYSA-N 1 2 295.408 2.052 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)C(C)C)C2 ZINC000343654250 367941571 /nfs/dbraw/zinc/94/15/71/367941571.db2.gz HUZAVMBKURHFJQ-SMDDNHRTSA-N 1 2 288.395 2.302 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)C(C)C)CC2 ZINC000343654250 367941576 /nfs/dbraw/zinc/94/15/76/367941576.db2.gz HUZAVMBKURHFJQ-SMDDNHRTSA-N 1 2 288.395 2.302 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C#N)C(C)C ZINC000343664320 367944616 /nfs/dbraw/zinc/94/46/16/367944616.db2.gz MPCKQBQNFDDKFC-AWEZNQCLSA-N 1 2 284.363 2.399 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000633965397 368475937 /nfs/dbraw/zinc/47/59/37/368475937.db2.gz RJZVMHUXPRNTFI-AWEZNQCLSA-N 1 2 292.427 2.131 20 30 CEEDLO CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nccs1 ZINC000185062798 368741921 /nfs/dbraw/zinc/74/19/21/368741921.db2.gz UWMFBJZTMXVTRZ-BXUZGUMPSA-N 1 2 294.424 2.238 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)c2cnc(C#N)cn2)c1C ZINC000185292781 368781740 /nfs/dbraw/zinc/78/17/40/368781740.db2.gz XUYCISGHEAOATQ-UHFFFAOYSA-N 1 2 283.335 2.005 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000346712538 368784161 /nfs/dbraw/zinc/78/41/61/368784161.db2.gz DKDGCUJGFUBUNJ-LLVKDONJSA-N 1 2 297.314 2.368 20 30 CEEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000186004554 368904150 /nfs/dbraw/zinc/90/41/50/368904150.db2.gz ICQSQKAQRDASLU-OLZOCXBDSA-N 1 2 291.420 2.158 20 30 CEEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(OCC(N)=O)cc2)C1 ZINC000185724668 368849709 /nfs/dbraw/zinc/84/97/09/368849709.db2.gz CVOWKMLPAUIXOJ-WCQYABFASA-N 1 2 273.336 2.045 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cnn(C)c1 ZINC000348312996 368997265 /nfs/dbraw/zinc/99/72/65/368997265.db2.gz FLDMQQIQFGBRRS-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1)C1CC1 ZINC000348528064 369070942 /nfs/dbraw/zinc/07/09/42/369070942.db2.gz 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369166024 /nfs/dbraw/zinc/16/60/24/369166024.db2.gz CCHNYFPWDLJCGR-XTZNXHDOSA-N 1 2 284.812 2.410 20 30 CEEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187480264 369166028 /nfs/dbraw/zinc/16/60/28/369166028.db2.gz CCHNYFPWDLJCGR-XTZNXHDOSA-N 1 2 284.812 2.410 20 30 CEEDLO CCc1ccc([C@H]2C[N@H+](CC#CCOC)CCO2)cc1 ZINC000683037575 541756341 /nfs/dbraw/zinc/75/63/41/541756341.db2.gz ZJMPUXVZBPQUCY-QGZVFWFLSA-N 1 2 273.376 2.272 20 30 CEEDLO CCc1ccc([C@H]2C[N@@H+](CC#CCOC)CCO2)cc1 ZINC000683037575 541756345 /nfs/dbraw/zinc/75/63/45/541756345.db2.gz ZJMPUXVZBPQUCY-QGZVFWFLSA-N 1 2 273.376 2.272 20 30 CEEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccon2)c(C#N)c1C ZINC000349238519 369274672 /nfs/dbraw/zinc/27/46/72/369274672.db2.gz KEDFHUSPVGENQA-SECBINFHSA-N 1 2 288.307 2.045 20 30 CEEDLO C=CCCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635871626 369384928 /nfs/dbraw/zinc/38/49/28/369384928.db2.gz GOSGOQZLWOKSOU-INIZCTEOSA-N 1 2 288.391 2.352 20 30 CEEDLO 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C[C@]1(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCC(=O)NC1 ZINC000328832926 376905645 /nfs/dbraw/zinc/90/56/45/376905645.db2.gz RRFCBFIOPXVJEL-ABAIWWIYSA-N 1 2 290.367 2.474 20 30 CEEDLO C[C@@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCOC1 ZINC000329678064 376990500 /nfs/dbraw/zinc/99/05/00/376990500.db2.gz QDVLVEJQHHLJPF-OAHLLOKOSA-N 1 2 277.368 2.145 20 30 CEEDLO COCC[N@H+](Cc1ccno1)Cc1ccc(C#N)cc1 ZINC000264702086 190129480 /nfs/dbraw/zinc/12/94/80/190129480.db2.gz KDHWGVWGVIAFNG-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO COCC[N@@H+](Cc1ccno1)Cc1ccc(C#N)cc1 ZINC000264702086 190129481 /nfs/dbraw/zinc/12/94/81/190129481.db2.gz KDHWGVWGVIAFNG-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO C#CCCOc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000291459973 377194509 /nfs/dbraw/zinc/19/45/09/377194509.db2.gz DAVJTVWNAWBJEF-UHFFFAOYSA-N 1 2 281.359 2.301 20 30 CEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1Cl ZINC000563220571 377133988 /nfs/dbraw/zinc/13/39/88/377133988.db2.gz RFTOBFMSKFTIIY-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO CC(C)(C)c1ccc(CC[NH+]2CC(O)(CC#N)C2)cc1 ZINC000428288273 377489237 /nfs/dbraw/zinc/48/92/37/377489237.db2.gz PVVCKIPPSKKRNM-UHFFFAOYSA-N 1 2 272.392 2.487 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1O ZINC000332387024 377586427 /nfs/dbraw/zinc/58/64/27/377586427.db2.gz ZZVLGOGNARIUFN-CYBMUJFWSA-N 1 2 296.330 2.007 20 30 CEEDLO C=CCCCCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000565783859 377696113 /nfs/dbraw/zinc/69/61/13/377696113.db2.gz NWHMOPJFYBRZIF-UHFFFAOYSA-N 1 2 264.373 2.308 20 30 CEEDLO C[N@H+](CCOc1ccccc1C#N)Cc1ccon1 ZINC000265833355 190211339 /nfs/dbraw/zinc/21/13/39/190211339.db2.gz UXKINFNBSZCGDX-UHFFFAOYSA-N 1 2 257.293 2.057 20 30 CEEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1ccon1 ZINC000265833355 190211340 /nfs/dbraw/zinc/21/13/40/190211340.db2.gz UXKINFNBSZCGDX-UHFFFAOYSA-N 1 2 257.293 2.057 20 30 CEEDLO Cn1nnc2cc(CNc3cc(CC#N)cc[nH+]3)ccc21 ZINC000566889407 377780622 /nfs/dbraw/zinc/78/06/22/377780622.db2.gz OIYVRGDDRPKHEE-UHFFFAOYSA-N 1 2 278.319 2.041 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)[C@@H]1C ZINC000433298622 377784778 /nfs/dbraw/zinc/78/47/78/377784778.db2.gz OYMGQARCZCTFHV-MCIONIFRSA-N 1 2 279.428 2.409 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)[C@@H]1C ZINC000433298622 377784790 /nfs/dbraw/zinc/78/47/90/377784790.db2.gz OYMGQARCZCTFHV-MCIONIFRSA-N 1 2 279.428 2.409 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000435582813 377806885 /nfs/dbraw/zinc/80/68/85/377806885.db2.gz BWNUWMYDLGOPSB-DGCLKSJQSA-N 1 2 272.352 2.081 20 30 CEEDLO CCCN(CC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433304821 377788008 /nfs/dbraw/zinc/78/80/08/377788008.db2.gz LRTPJKQCBLELCJ-UHFFFAOYSA-N 1 2 296.374 2.236 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433320035 377789776 /nfs/dbraw/zinc/78/97/76/377789776.db2.gz SMPTZJSIHXPJTN-RYUDHWBXSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433320035 377789781 /nfs/dbraw/zinc/78/97/81/377789781.db2.gz 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C#CCOc1ccccc1NC(=O)NCc1[nH+]ccn1CC ZINC000297000646 378662068 /nfs/dbraw/zinc/66/20/68/378662068.db2.gz UZMMDCFXKRKJEV-UHFFFAOYSA-N 1 2 298.346 2.237 20 30 CEEDLO Cc1nc(C[NH+]2CCN(c3ccnc(C#N)c3)CC2)cs1 ZINC000299688648 379107471 /nfs/dbraw/zinc/10/74/71/379107471.db2.gz UAGKYKIZNUVJME-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000266951785 190293120 /nfs/dbraw/zinc/29/31/20/190293120.db2.gz UQDKPUYENOUZPL-UHFFFAOYSA-N 1 2 291.351 2.329 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000266951785 190293121 /nfs/dbraw/zinc/29/31/21/190293121.db2.gz UQDKPUYENOUZPL-UHFFFAOYSA-N 1 2 291.351 2.329 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccsc2C1 ZINC000527297719 379743981 /nfs/dbraw/zinc/74/39/81/379743981.db2.gz DZLCNVURUJTGIC-NSHDSACASA-N 1 2 289.404 2.057 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccsc2C1 ZINC000527297719 379743989 /nfs/dbraw/zinc/74/39/89/379743989.db2.gz DZLCNVURUJTGIC-NSHDSACASA-N 1 2 289.404 2.057 20 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2.215 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000542690137 380307711 /nfs/dbraw/zinc/30/77/11/380307711.db2.gz IBJZAELBQUMILT-GFCCVEGCSA-N 1 2 252.321 2.393 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccs2)n1 ZINC000491362203 380310948 /nfs/dbraw/zinc/31/09/48/380310948.db2.gz PWNUCRILRXANGE-UHFFFAOYSA-N 1 2 289.404 2.226 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccs2)n1 ZINC000491362203 380310953 /nfs/dbraw/zinc/31/09/53/380310953.db2.gz PWNUCRILRXANGE-UHFFFAOYSA-N 1 2 289.404 2.226 20 30 CEEDLO Cc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c(C)c[nH+]1 ZINC000551721143 380652305 /nfs/dbraw/zinc/65/23/05/380652305.db2.gz FYNGPSMOQSEGII-UHFFFAOYSA-N 1 2 294.358 2.310 20 30 CEEDLO N#CCc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492976560 380748878 /nfs/dbraw/zinc/74/88/78/380748878.db2.gz YLXAHNHTNLNTDU-WAYWQWQTSA-N 1 2 252.277 2.128 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)cs2)c2[nH+]ccn21 ZINC000334752644 207019153 /nfs/dbraw/zinc/01/91/53/207019153.db2.gz QQFBIKDJZMFQJB-SCZZXKLOSA-N 1 2 272.333 2.252 20 30 CEEDLO C[C@H]1C[N@H+](CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493982464 381151999 /nfs/dbraw/zinc/15/19/99/381151999.db2.gz SATMKXWJEMFVGI-NWDGAFQWSA-N 1 2 267.373 2.135 20 30 CEEDLO C[C@H]1C[N@@H+](CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493982464 381152007 /nfs/dbraw/zinc/15/20/07/381152007.db2.gz SATMKXWJEMFVGI-NWDGAFQWSA-N 1 2 267.373 2.135 20 30 CEEDLO CCC[N@H+](CC#N)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496127710 381200161 /nfs/dbraw/zinc/20/01/61/381200161.db2.gz YEGBUGIPNVRIGH-BBRMVZONSA-N 1 2 293.411 2.479 20 30 CEEDLO CCC[N@@H+](CC#N)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496127710 381200166 /nfs/dbraw/zinc/20/01/66/381200166.db2.gz YEGBUGIPNVRIGH-BBRMVZONSA-N 1 2 293.411 2.479 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000574769472 335046379 /nfs/dbraw/zinc/04/63/79/335046379.db2.gz YMBITOCSGORIBQ-KOLCDFICSA-N 1 2 280.759 2.344 20 30 CEEDLO C#CCCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000192164831 533010163 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ZINC000355712936 394511051 /nfs/dbraw/zinc/51/10/51/394511051.db2.gz KLSCVEYEUVGUIE-UHFFFAOYSA-N 1 2 267.332 2.075 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc(C#N)cc1F ZINC000413311619 394523881 /nfs/dbraw/zinc/52/38/81/394523881.db2.gz DZDKAEOTUYJECD-VIFPVBQESA-N 1 2 259.288 2.482 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355761811 394523918 /nfs/dbraw/zinc/52/39/18/394523918.db2.gz CGXWNHYKHCYHOO-GDBMZVCRSA-N 1 2 294.439 2.491 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355761811 394523922 /nfs/dbraw/zinc/52/39/22/394523922.db2.gz CGXWNHYKHCYHOO-GDBMZVCRSA-N 1 2 294.439 2.491 20 30 CEEDLO C=C(CC)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413320195 394525420 /nfs/dbraw/zinc/52/54/20/394525420.db2.gz PETSZOVYHUUSJN-QWHCGFSZSA-N 1 2 276.384 2.062 20 30 CEEDLO C=C(CC)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413320195 394525423 /nfs/dbraw/zinc/52/54/23/394525423.db2.gz PETSZOVYHUUSJN-QWHCGFSZSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(F)cc(F)cc3C2)C1=O ZINC000334188228 394661208 /nfs/dbraw/zinc/66/12/08/394661208.db2.gz HFIMWXCNYPKDOR-HNNXBMFYSA-N 1 2 292.329 2.110 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(F)cc(F)cc3C2)C1=O ZINC000334188228 394661212 /nfs/dbraw/zinc/66/12/12/394661212.db2.gz HFIMWXCNYPKDOR-HNNXBMFYSA-N 1 2 292.329 2.110 20 30 CEEDLO COc1ccc(OCC[N@H+](C)C[C@@H](C)C#N)c([N+](=O)[O-])c1 ZINC000266517669 394665845 /nfs/dbraw/zinc/66/58/45/394665845.db2.gz HJPUJVYNTVXLCK-NSHDSACASA-N 1 2 293.323 2.074 20 30 CEEDLO COc1ccc(OCC[N@@H+](C)C[C@@H](C)C#N)c([N+](=O)[O-])c1 ZINC000266517669 394665851 /nfs/dbraw/zinc/66/58/51/394665851.db2.gz HJPUJVYNTVXLCK-NSHDSACASA-N 1 2 293.323 2.074 20 30 CEEDLO COc1ccc(OCC[N@H+](C)C[C@H](C)C#N)c([N+](=O)[O-])c1 ZINC000266517665 394666155 /nfs/dbraw/zinc/66/61/55/394666155.db2.gz HJPUJVYNTVXLCK-LLVKDONJSA-N 1 2 293.323 2.074 20 30 CEEDLO COc1ccc(OCC[N@@H+](C)C[C@H](C)C#N)c([N+](=O)[O-])c1 ZINC000266517665 394666156 /nfs/dbraw/zinc/66/61/56/394666156.db2.gz HJPUJVYNTVXLCK-LLVKDONJSA-N 1 2 293.323 2.074 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000266961910 394671233 /nfs/dbraw/zinc/67/12/33/394671233.db2.gz WZMZFPVDHXQEHD-CYBMUJFWSA-N 1 2 291.370 2.108 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000266961910 394671235 /nfs/dbraw/zinc/67/12/35/394671235.db2.gz WZMZFPVDHXQEHD-CYBMUJFWSA-N 1 2 291.370 2.108 20 30 CEEDLO COc1cc(OC)cc(N2CCC[N@H+](CCC#N)CC2)c1 ZINC000268189834 394691197 /nfs/dbraw/zinc/69/11/97/394691197.db2.gz VRSJZBIURNOPAA-UHFFFAOYSA-N 1 2 289.379 2.130 20 30 CEEDLO COc1cc(OC)cc(N2CCC[N@@H+](CCC#N)CC2)c1 ZINC000268189834 394691203 /nfs/dbraw/zinc/69/12/03/394691203.db2.gz VRSJZBIURNOPAA-UHFFFAOYSA-N 1 2 289.379 2.130 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000268856571 394701154 /nfs/dbraw/zinc/70/11/54/394701154.db2.gz ILFAKPUIOIOHDT-UHFFFAOYSA-N 1 2 298.346 2.064 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000269558794 394718626 /nfs/dbraw/zinc/71/86/26/394718626.db2.gz KFCKARHXOIVQNC-UONOGXRCSA-N 1 2 285.391 2.051 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000269558794 394718629 /nfs/dbraw/zinc/71/86/29/394718629.db2.gz KFCKARHXOIVQNC-UONOGXRCSA-N 1 2 285.391 2.051 20 30 CEEDLO CC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)C[C@@H](C)C#N ZINC000358534176 394723738 /nfs/dbraw/zinc/72/37/38/394723738.db2.gz XXMXVUOZWYLBAB-NSHDSACASA-N 1 2 293.333 2.267 20 30 CEEDLO CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)C[C@@H](C)C#N ZINC000358534176 394723743 /nfs/dbraw/zinc/72/37/43/394723743.db2.gz XXMXVUOZWYLBAB-NSHDSACASA-N 1 2 293.333 2.267 20 30 CEEDLO COc1cc(C)nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000271210214 394752592 /nfs/dbraw/zinc/75/25/92/394752592.db2.gz LNMUYGRLGMYKCG-LBPRGKRZSA-N 1 2 295.383 2.249 20 30 CEEDLO C[C@H]1C[C@H](C/[NH+]=C/c2ccc(O)c(O)c2O)CCO1 ZINC000271457752 394756839 /nfs/dbraw/zinc/75/68/39/394756839.db2.gz WJDRGECTEARYHB-ASRRJBDCSA-N 1 2 265.309 2.037 20 30 CEEDLO N#CC1(C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000359629302 394766151 /nfs/dbraw/zinc/76/61/51/394766151.db2.gz VZRMLSQUGWAFSD-LBPRGKRZSA-N 1 2 295.180 2.376 20 30 CEEDLO CC(C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000273233201 394786479 /nfs/dbraw/zinc/78/64/79/394786479.db2.gz ABYCHTIHHSYYRY-AWEZNQCLSA-N 1 2 285.391 2.419 20 30 CEEDLO Cc1cc(Nc2cnc(C#N)cn2)ccc1[NH+](C)C ZINC000121495618 394799382 /nfs/dbraw/zinc/79/93/82/394799382.db2.gz KTRNNFWJFSNDOF-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361071954 394813562 /nfs/dbraw/zinc/81/35/62/394813562.db2.gz CMUVNKNYQZYOBN-ZDUSSCGKSA-N 1 2 271.364 2.325 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361071954 394813565 /nfs/dbraw/zinc/81/35/65/394813565.db2.gz CMUVNKNYQZYOBN-ZDUSSCGKSA-N 1 2 271.364 2.325 20 30 CEEDLO C=C(Cl)C[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363709209 394883630 /nfs/dbraw/zinc/88/36/30/394883630.db2.gz BVOZYMGAAQQZTP-LLVKDONJSA-N 1 2 289.759 2.386 20 30 CEEDLO C#CCCCCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000362272791 394851923 /nfs/dbraw/zinc/85/19/23/394851923.db2.gz JRJOZBNXHHTTNZ-CQSZACIVSA-N 1 2 273.380 2.379 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000366799320 394952396 /nfs/dbraw/zinc/95/23/96/394952396.db2.gz ZAYRJGBPMCOKDV-AGIUHOORSA-N 1 2 259.777 2.397 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000366799320 394952399 /nfs/dbraw/zinc/95/23/99/394952399.db2.gz ZAYRJGBPMCOKDV-AGIUHOORSA-N 1 2 259.777 2.397 20 30 CEEDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(C#N)cs1 ZINC000153724665 395015419 /nfs/dbraw/zinc/01/54/19/395015419.db2.gz BRXLEQOOIFSLLZ-LBPRGKRZSA-N 1 2 287.392 2.398 20 30 CEEDLO C=C(Br)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000285436121 394957679 /nfs/dbraw/zinc/95/76/79/394957679.db2.gz RNGJBCKQQQWLCE-VIFPVBQESA-N 1 2 273.178 2.010 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@H](C)CC)Cc1ccccc1 ZINC000285779807 394963909 /nfs/dbraw/zinc/96/39/09/394963909.db2.gz SNCQLPBHOFEBON-CQSZACIVSA-N 1 2 258.365 2.037 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@H](C)CC)Cc1ccccc1 ZINC000285779807 394963913 /nfs/dbraw/zinc/96/39/13/394963913.db2.gz SNCQLPBHOFEBON-CQSZACIVSA-N 1 2 258.365 2.037 20 30 CEEDLO CC#CC[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000339755866 394969842 /nfs/dbraw/zinc/96/98/42/394969842.db2.gz ZKUHQILSGNVHLA-UHFFFAOYSA-N 1 2 259.309 2.402 20 30 CEEDLO CC#CC[N@@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000339755866 394969844 /nfs/dbraw/zinc/96/98/44/394969844.db2.gz ZKUHQILSGNVHLA-UHFFFAOYSA-N 1 2 259.309 2.402 20 30 CEEDLO C=C(CNC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC000288355766 395058169 /nfs/dbraw/zinc/05/81/69/395058169.db2.gz WKCUEEKASRAUPA-UHFFFAOYSA-N 1 2 269.348 2.182 20 30 CEEDLO C=CCCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373591075 395063444 /nfs/dbraw/zinc/06/34/44/395063444.db2.gz DIFIBEPVTLVJRM-HNNXBMFYSA-N 1 2 280.412 2.102 20 30 CEEDLO C=CCCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373591075 395063447 /nfs/dbraw/zinc/06/34/47/395063447.db2.gz DIFIBEPVTLVJRM-HNNXBMFYSA-N 1 2 280.412 2.102 20 30 CEEDLO C=CCSCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289111246 395070420 /nfs/dbraw/zinc/07/04/20/395070420.db2.gz CUFQANLFYTYYJO-CYBMUJFWSA-N 1 2 274.393 2.403 20 30 CEEDLO CC(C)Cn1cc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348711007 395149840 /nfs/dbraw/zinc/14/98/40/395149840.db2.gz PQHQJWCXIKQEFZ-UHFFFAOYSA-N 1 2 264.348 2.367 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000293037120 395216980 /nfs/dbraw/zinc/21/69/80/395216980.db2.gz GSCDTDUNFXXOKA-UHFFFAOYSA-N 1 2 285.391 2.180 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000293037120 395216984 /nfs/dbraw/zinc/21/69/84/395216984.db2.gz GSCDTDUNFXXOKA-UHFFFAOYSA-N 1 2 285.391 2.180 20 30 CEEDLO N#CC1(CC[N@@H+]2CCN(C3CC3)C(=O)C2)CCCCC1 ZINC000411333620 395326669 /nfs/dbraw/zinc/32/66/69/395326669.db2.gz OSUZKHKTONTFAT-UHFFFAOYSA-N 1 2 275.396 2.157 20 30 CEEDLO N#CC1(CC[N@H+]2CCN(C3CC3)C(=O)C2)CCCCC1 ZINC000411333620 395326672 /nfs/dbraw/zinc/32/66/72/395326672.db2.gz OSUZKHKTONTFAT-UHFFFAOYSA-N 1 2 275.396 2.157 20 30 CEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484288 395260377 /nfs/dbraw/zinc/26/03/77/395260377.db2.gz NKJPQOBSZMOCLV-ZDUSSCGKSA-N 1 2 289.354 2.366 20 30 CEEDLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C#N)CC1 ZINC000191973329 395367887 /nfs/dbraw/zinc/36/78/87/395367887.db2.gz SEFPMOJJVXBSKU-LBPRGKRZSA-N 1 2 252.358 2.342 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411482595 395328738 /nfs/dbraw/zinc/32/87/38/395328738.db2.gz SXGUVACHWAWUQO-SNVBAGLBSA-N 1 2 260.297 2.040 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411482595 395328741 /nfs/dbraw/zinc/32/87/41/395328741.db2.gz SXGUVACHWAWUQO-SNVBAGLBSA-N 1 2 260.297 2.040 20 30 CEEDLO C=CCCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411483607 395328994 /nfs/dbraw/zinc/32/89/94/395328994.db2.gz NFDBYVYACAKNOI-UHFFFAOYSA-N 1 2 275.352 2.028 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000411750099 395337219 /nfs/dbraw/zinc/33/72/19/395337219.db2.gz XPNQJRNRBWENRO-LLVKDONJSA-N 1 2 275.308 2.481 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000411750099 395337221 /nfs/dbraw/zinc/33/72/21/395337221.db2.gz XPNQJRNRBWENRO-LLVKDONJSA-N 1 2 275.308 2.481 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCCC#N)C1CC1 ZINC000411903532 395341181 /nfs/dbraw/zinc/34/11/81/395341181.db2.gz JQZDUTULPZRPGW-NSHDSACASA-N 1 2 252.358 2.485 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCCC#N)C1CC1 ZINC000411903532 395341185 /nfs/dbraw/zinc/34/11/85/395341185.db2.gz JQZDUTULPZRPGW-NSHDSACASA-N 1 2 252.358 2.485 20 30 CEEDLO Cc1cc(NC(=O)Cc2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000534299643 395462858 /nfs/dbraw/zinc/46/28/58/395462858.db2.gz BIWAFCLSRFLSFK-UHFFFAOYSA-N 1 2 265.316 2.173 20 30 CEEDLO Cn1c(C[NH+]2CCC(C#N)CC2)nnc1-c1ccccc1 ZINC000195515437 395467636 /nfs/dbraw/zinc/46/76/36/395467636.db2.gz XRQSFGPEFORNLV-UHFFFAOYSA-N 1 2 281.363 2.218 20 30 CEEDLO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC000193256491 395404510 /nfs/dbraw/zinc/40/45/10/395404510.db2.gz URCDAMMOXLEGMG-ZDUSSCGKSA-N 1 2 288.738 2.377 20 30 CEEDLO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000193256491 395404513 /nfs/dbraw/zinc/40/45/13/395404513.db2.gz URCDAMMOXLEGMG-ZDUSSCGKSA-N 1 2 288.738 2.377 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2s1 ZINC000568344574 395554775 /nfs/dbraw/zinc/55/47/75/395554775.db2.gz HDCNJRMNLAISFN-OAHLLOKOSA-N 1 2 287.388 2.475 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000568607056 395563458 /nfs/dbraw/zinc/56/34/58/395563458.db2.gz IOGCYZFFWDPUKH-AWEZNQCLSA-N 1 2 252.402 2.273 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000568607056 395563461 /nfs/dbraw/zinc/56/34/61/395563461.db2.gz IOGCYZFFWDPUKH-AWEZNQCLSA-N 1 2 252.402 2.273 20 30 CEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC(C)(F)F ZINC000573913292 395622351 /nfs/dbraw/zinc/62/23/51/395622351.db2.gz CGQIUBRPZZRGJF-ZDUSSCGKSA-N 1 2 285.334 2.400 20 30 CEEDLO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000459341932 395665997 /nfs/dbraw/zinc/66/59/97/395665997.db2.gz GFDXFDVPDKLJAB-LLVKDONJSA-N 1 2 277.324 2.058 20 30 CEEDLO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000459341932 395665998 /nfs/dbraw/zinc/66/59/98/395665998.db2.gz GFDXFDVPDKLJAB-LLVKDONJSA-N 1 2 277.324 2.058 20 30 CEEDLO CC1(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000459452060 395666157 /nfs/dbraw/zinc/66/61/57/395666157.db2.gz YIHKHQCZUMRBSD-AWEZNQCLSA-N 1 2 289.335 2.059 20 30 CEEDLO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000459452060 395666158 /nfs/dbraw/zinc/66/61/58/395666158.db2.gz YIHKHQCZUMRBSD-AWEZNQCLSA-N 1 2 289.335 2.059 20 30 CEEDLO Cc1cc(C[N@@H+](C)Cc2nccn2C)ccc1C#N ZINC000488106638 395668207 /nfs/dbraw/zinc/66/82/07/395668207.db2.gz XNOLYZPGQJZOPR-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1cc(C[N@H+](C)Cc2nccn2C)ccc1C#N ZINC000488106638 395668208 /nfs/dbraw/zinc/66/82/08/395668208.db2.gz XNOLYZPGQJZOPR-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000491629377 395670152 /nfs/dbraw/zinc/67/01/52/395670152.db2.gz OCPGDQGITANHIH-ZDUSSCGKSA-N 1 2 273.380 2.383 20 30 CEEDLO C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000491629377 395670153 /nfs/dbraw/zinc/67/01/53/395670153.db2.gz OCPGDQGITANHIH-ZDUSSCGKSA-N 1 2 273.380 2.383 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)C1CC1 ZINC000491726355 395670437 /nfs/dbraw/zinc/67/04/37/395670437.db2.gz JDYCIMFHYQJGLX-UHFFFAOYSA-N 1 2 262.397 2.264 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)C1CC1 ZINC000491726355 395670438 /nfs/dbraw/zinc/67/04/38/395670438.db2.gz JDYCIMFHYQJGLX-UHFFFAOYSA-N 1 2 262.397 2.264 20 30 CEEDLO N#Cc1ccc(/C=C/C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000491887427 395670823 /nfs/dbraw/zinc/67/08/23/395670823.db2.gz QOHCFYBVNNJTIO-BQYQJAHWSA-N 1 2 294.358 2.365 20 30 CEEDLO C=CCn1c(C)cc(C(=O)CN2CCn3c[nH+]cc3C2)c1C ZINC000647939595 395780216 /nfs/dbraw/zinc/78/02/16/395780216.db2.gz TYAWMUOXHPPCCU-UHFFFAOYSA-N 1 2 298.390 2.186 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000649333538 396123086 /nfs/dbraw/zinc/12/30/86/396123086.db2.gz PGQDGQYZDLKWBQ-CHWSQXEVSA-N 1 2 297.399 2.172 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000649333538 396123088 /nfs/dbraw/zinc/12/30/88/396123088.db2.gz PGQDGQYZDLKWBQ-CHWSQXEVSA-N 1 2 297.399 2.172 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647121249 396413382 /nfs/dbraw/zinc/41/33/82/396413382.db2.gz XYZYUPXRKVXVRA-GFCCVEGCSA-N 1 2 261.369 2.164 20 30 CEEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)o1)c1ccncc1 ZINC000191904579 153198629 /nfs/dbraw/zinc/19/86/29/153198629.db2.gz ZUEUSLBQLTZGPZ-MRXNPFEDSA-N 1 2 299.330 2.114 20 30 CEEDLO Cc1nc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311191 154220355 /nfs/dbraw/zinc/22/03/55/154220355.db2.gz LYKMUXDHNJOGPM-IAQYHMDHSA-N 1 2 298.346 2.384 20 30 CEEDLO Cc1nc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311191 154220361 /nfs/dbraw/zinc/22/03/61/154220361.db2.gz LYKMUXDHNJOGPM-IAQYHMDHSA-N 1 2 298.346 2.384 20 30 CEEDLO N#Cc1cccc(OCCCCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000359691447 155115217 /nfs/dbraw/zinc/11/52/17/155115217.db2.gz JKVGVIPSOOOPPU-UHFFFAOYSA-N 1 2 298.346 2.147 20 30 CEEDLO N#Cc1cccc(OCCCCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000359691447 155115219 /nfs/dbraw/zinc/11/52/19/155115219.db2.gz JKVGVIPSOOOPPU-UHFFFAOYSA-N 1 2 298.346 2.147 20 30 CEEDLO Cc1nsc(N(C)Cc2cn3c([nH+]2)CCCC3)c1C#N ZINC000376385089 157215137 /nfs/dbraw/zinc/21/51/37/157215137.db2.gz RHEBRXUKRFCUBH-UHFFFAOYSA-N 1 2 287.392 2.492 20 30 CEEDLO N#Cc1c[nH]c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000175399303 165134134 /nfs/dbraw/zinc/13/41/34/165134134.db2.gz SNVRLTZQWXQCOL-UHFFFAOYSA-N 1 2 277.287 2.324 20 30 CEEDLO C=CCCC(C)(C)NC(=O)NCCCn1cc[nH+]c1 ZINC000663243071 414893368 /nfs/dbraw/zinc/89/33/68/414893368.db2.gz WAAZOZWBWJEDGS-UHFFFAOYSA-N 1 2 264.373 2.317 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccncc2OC)nn1 ZINC000653634790 415059769 /nfs/dbraw/zinc/05/97/69/415059769.db2.gz JDPWLBBEWLZURN-LBPRGKRZSA-N 1 2 287.367 2.109 20 30 CEEDLO C=CCCC(C)(C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000663900222 415082640 /nfs/dbraw/zinc/08/26/40/415082640.db2.gz RTZNODAGKFFYDM-UHFFFAOYSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC(C)(C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000663900222 415082642 /nfs/dbraw/zinc/08/26/42/415082642.db2.gz RTZNODAGKFFYDM-UHFFFAOYSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)nn1 ZINC000653541363 415026754 /nfs/dbraw/zinc/02/67/54/415026754.db2.gz NAZQKSBGOGRNNE-INIZCTEOSA-N 1 2 286.379 2.020 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)[C@@H](CO)c2ccccc2)nn1 ZINC000653541363 415026759 /nfs/dbraw/zinc/02/67/59/415026759.db2.gz NAZQKSBGOGRNNE-INIZCTEOSA-N 1 2 286.379 2.020 20 30 CEEDLO C=CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655247041 415157262 /nfs/dbraw/zinc/15/72/62/415157262.db2.gz XIYFTLNIROECBR-ZDUSSCGKSA-N 1 2 261.369 2.308 20 30 CEEDLO CC#CC[C@@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000664055411 415145133 /nfs/dbraw/zinc/14/51/33/415145133.db2.gz BSWUDYXEADUCQB-JTQLQIEISA-N 1 2 298.184 2.042 20 30 CEEDLO C=CC[C@H]1CCC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000661381523 415233158 /nfs/dbraw/zinc/23/31/58/415233158.db2.gz MQURFXUBFMANMH-NSHDSACASA-N 1 2 266.414 2.392 20 30 CEEDLO C=CC[C@H]1CCC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000661381523 415233161 /nfs/dbraw/zinc/23/31/61/415233161.db2.gz MQURFXUBFMANMH-NSHDSACASA-N 1 2 266.414 2.392 20 30 CEEDLO C=CC1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000662094594 415627111 /nfs/dbraw/zinc/62/71/11/415627111.db2.gz KIXSPQYRRANIHO-NSHDSACASA-N 1 2 262.357 2.089 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662167374 415668557 /nfs/dbraw/zinc/66/85/57/415668557.db2.gz BZUJXAWZRHKYAG-DGCLKSJQSA-N 1 2 273.336 2.243 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1C ZINC000071230870 176092107 /nfs/dbraw/zinc/09/21/07/176092107.db2.gz UDWRCMJSEAPTQY-UHFFFAOYSA-N 1 2 277.324 2.265 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1C ZINC000071230870 176092109 /nfs/dbraw/zinc/09/21/09/176092109.db2.gz UDWRCMJSEAPTQY-UHFFFAOYSA-N 1 2 277.324 2.265 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000656544709 415755936 /nfs/dbraw/zinc/75/59/36/415755936.db2.gz UCPJAZOYDKYLRJ-UONOGXRCSA-N 1 2 276.384 2.269 20 30 CEEDLO Cc1cccc(CCCNc2cnc(C#N)cn2)[nH+]1 ZINC000286540081 196635600 /nfs/dbraw/zinc/63/56/00/196635600.db2.gz ITQFFDKZRSBVOI-UHFFFAOYSA-N 1 2 253.309 2.096 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C#N)CCC#N ZINC000078542158 177351914 /nfs/dbraw/zinc/35/19/14/177351914.db2.gz FHOMHRJAMDRJLD-OAHLLOKOSA-N 1 2 252.321 2.434 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C#N)CCC#N ZINC000078542158 177351915 /nfs/dbraw/zinc/35/19/15/177351915.db2.gz FHOMHRJAMDRJLD-OAHLLOKOSA-N 1 2 252.321 2.434 20 30 CEEDLO COc1cc[nH+]c(CN(C[C@H](C)C#N)C2CC2)c1OC ZINC000354708078 227079099 /nfs/dbraw/zinc/07/90/99/227079099.db2.gz AVHMOIWUUZBDKH-LLVKDONJSA-N 1 2 275.352 2.223 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000575195396 335079354 /nfs/dbraw/zinc/07/93/54/335079354.db2.gz WNLMTZIIGDOBTI-UHFFFAOYSA-N 1 2 252.321 2.266 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CCCO1 ZINC000330073676 228032781 /nfs/dbraw/zinc/03/27/81/228032781.db2.gz FEZJYZDKQRWAEZ-QEJZJMRPSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CCCO1 ZINC000330073676 228032783 /nfs/dbraw/zinc/03/27/83/228032783.db2.gz FEZJYZDKQRWAEZ-QEJZJMRPSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)N1CCc2ccccc21 ZINC000331685353 228118762 /nfs/dbraw/zinc/11/87/62/228118762.db2.gz UZQOVQGJDXRWJE-CFVMTHIKSA-N 1 2 283.375 2.246 20 30 CEEDLO O=C(C[C@H]1CCOC1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330197071 228062174 /nfs/dbraw/zinc/06/21/74/228062174.db2.gz RHNCHLUWXODZIV-NEPJUHHUSA-N 1 2 263.341 2.144 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000352087493 228181390 /nfs/dbraw/zinc/18/13/90/228181390.db2.gz NXJHROFQSSVBBF-APPDUMDISA-N 1 2 250.367 2.015 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000352087493 228181391 /nfs/dbraw/zinc/18/13/91/228181391.db2.gz NXJHROFQSSVBBF-APPDUMDISA-N 1 2 250.367 2.015 20 30 CEEDLO N#C[C@]1(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC12CCCC2 ZINC000333563957 228204907 /nfs/dbraw/zinc/20/49/07/228204907.db2.gz OMOPWIVVVGRYDE-GUYCJALGSA-N 1 2 298.390 2.351 20 30 CEEDLO C#CC[NH+](CC#C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000299184423 260174122 /nfs/dbraw/zinc/17/41/22/260174122.db2.gz BRYWFASXIFRNNJ-PBHICJAKSA-N 1 2 298.361 2.056 20 30 CEEDLO COC(=O)c1ccc(NCCc2cc[nH+]cc2C)c(C#N)n1 ZINC000521645638 260198576 /nfs/dbraw/zinc/19/85/76/260198576.db2.gz JYDBDSQKXDXPRU-UHFFFAOYSA-N 1 2 296.330 2.098 20 30 CEEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OCCCO ZINC000127390847 260797958 /nfs/dbraw/zinc/79/79/58/260797958.db2.gz ZEAMYSNTPYBIDZ-UHFFFAOYSA-N 1 2 293.150 2.043 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000104678454 261297286 /nfs/dbraw/zinc/29/72/86/261297286.db2.gz VDVJMDMZTJUOGO-ZYHUDNBSSA-N 1 2 293.333 2.314 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104678454 261297287 /nfs/dbraw/zinc/29/72/87/261297287.db2.gz VDVJMDMZTJUOGO-ZYHUDNBSSA-N 1 2 293.333 2.314 20 30 CEEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)CC2)s1 ZINC000163271010 261310929 /nfs/dbraw/zinc/31/09/29/261310929.db2.gz ULRUFACJCRFOHS-UHFFFAOYSA-N 1 2 264.350 2.270 20 30 CEEDLO C#CCC(C)(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000364068081 262136378 /nfs/dbraw/zinc/13/63/78/262136378.db2.gz RHSVPROESBZURU-ZDUSSCGKSA-N 1 2 273.380 2.235 20 30 CEEDLO C=CC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000336809623 262396437 /nfs/dbraw/zinc/39/64/37/262396437.db2.gz WCMKGCLVOZALQQ-UHFFFAOYSA-N 1 2 279.405 2.488 20 30 CEEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000365692841 262448802 /nfs/dbraw/zinc/44/88/02/262448802.db2.gz VMJAPORDQIJWID-SJORKVTESA-N 1 2 297.402 2.379 20 30 CEEDLO CN(C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000365692841 262448803 /nfs/dbraw/zinc/44/88/03/262448803.db2.gz VMJAPORDQIJWID-SJORKVTESA-N 1 2 297.402 2.379 20 30 CEEDLO Cc1cc(C)c(C#N)c(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000527558882 269911325 /nfs/dbraw/zinc/91/13/25/269911325.db2.gz VXCLYVJTUGKFTP-UHFFFAOYSA-N 1 2 283.335 2.186 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000411398577 262691491 /nfs/dbraw/zinc/69/14/91/262691491.db2.gz CQAKQKMSAOENIT-IGCXYCKISA-N 1 2 294.358 2.024 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000411398577 262691492 /nfs/dbraw/zinc/69/14/92/262691492.db2.gz CQAKQKMSAOENIT-IGCXYCKISA-N 1 2 294.358 2.024 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(C)(C#N)CC1 ZINC000272520792 263005625 /nfs/dbraw/zinc/00/56/25/263005625.db2.gz HHDZUTOJJGMQAT-JTQLQIEISA-N 1 2 278.381 2.096 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000276331342 263036331 /nfs/dbraw/zinc/03/63/31/263036331.db2.gz RAHYCBDYXLYXDQ-GFCCVEGCSA-N 1 2 277.393 2.198 20 30 CEEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000276554890 263037154 /nfs/dbraw/zinc/03/71/54/263037154.db2.gz IKZFWKCLTPBEDX-KTRBRXNASA-N 1 2 258.325 2.012 20 30 CEEDLO CCc1cc(N)nc(SCCCSCC#N)[nH+]1 ZINC000279129007 263053246 /nfs/dbraw/zinc/05/32/46/263053246.db2.gz VUXJBCBABSBMDC-UHFFFAOYSA-N 1 2 268.411 2.360 20 30 CEEDLO CC[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000369534122 263075764 /nfs/dbraw/zinc/07/57/64/263075764.db2.gz YCAQTLODKPHTCE-XHSDSOJGSA-N 1 2 291.395 2.090 20 30 CEEDLO CC[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000369534122 263075765 /nfs/dbraw/zinc/07/57/65/263075765.db2.gz YCAQTLODKPHTCE-XHSDSOJGSA-N 1 2 291.395 2.090 20 30 CEEDLO NC(=[NH+]OCc1cc(Cl)ccc1F)[C@@H]1CCCO1 ZINC000284482349 263087231 /nfs/dbraw/zinc/08/72/31/263087231.db2.gz RYXCOSSKTXGAKI-NSHDSACASA-N 1 2 272.707 2.447 20 30 CEEDLO NC(=[NH+]OCc1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000284530210 263087407 /nfs/dbraw/zinc/08/74/07/263087407.db2.gz UZUAKEPPSQRZDG-LLVKDONJSA-N 1 2 286.278 2.256 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000285323558 263091943 /nfs/dbraw/zinc/09/19/43/263091943.db2.gz FTQPHUVORVDMLK-MRXNPFEDSA-N 1 2 286.379 2.238 20 30 CEEDLO Cn1cnnc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000286905114 263100275 /nfs/dbraw/zinc/10/02/75/263100275.db2.gz JHMRBFIQKQOLTE-UHFFFAOYSA-N 1 2 283.379 2.248 20 30 CEEDLO Cn1cnnc1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000286905114 263100276 /nfs/dbraw/zinc/10/02/76/263100276.db2.gz JHMRBFIQKQOLTE-UHFFFAOYSA-N 1 2 283.379 2.248 20 30 CEEDLO C=CCOCCCC(=O)OCc1c[nH+]ccc1OC ZINC000287246151 263101389 /nfs/dbraw/zinc/10/13/89/263101389.db2.gz QNCXFNKPVGRFIV-UHFFFAOYSA-N 1 2 265.309 2.116 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC000291123945 263120201 /nfs/dbraw/zinc/12/02/01/263120201.db2.gz NQNVAPGOCCWUGW-CQSZACIVSA-N 1 2 292.383 2.197 20 30 CEEDLO N#CCCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000291471668 263122914 /nfs/dbraw/zinc/12/29/14/263122914.db2.gz KFAYQPVRIDGVHI-UHFFFAOYSA-N 1 2 287.363 2.151 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000292825884 263135237 /nfs/dbraw/zinc/13/52/37/263135237.db2.gz OKRNGDPBLGGTII-ZDUSSCGKSA-N 1 2 266.366 2.052 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000292825884 263135238 /nfs/dbraw/zinc/13/52/38/263135238.db2.gz OKRNGDPBLGGTII-ZDUSSCGKSA-N 1 2 266.366 2.052 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+](C)C[C@H](C)C#N)[nH]c1C ZINC000294671079 263165718 /nfs/dbraw/zinc/16/57/18/263165718.db2.gz CRHBYQWRXIBRDJ-SNVBAGLBSA-N 1 2 263.341 2.091 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+](C)C[C@H](C)C#N)[nH]c1C ZINC000294671079 263165719 /nfs/dbraw/zinc/16/57/19/263165719.db2.gz CRHBYQWRXIBRDJ-SNVBAGLBSA-N 1 2 263.341 2.091 20 30 CEEDLO CN1C(=O)C[C@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000298584333 263222841 /nfs/dbraw/zinc/22/28/41/263222841.db2.gz RGQMPCPOOOENAV-GXTWGEPZSA-N 1 2 295.745 2.254 20 30 CEEDLO C=CC[C@H](CO)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000341695417 263346133 /nfs/dbraw/zinc/34/61/33/263346133.db2.gz IBCFASPTKZHIHP-LBPRGKRZSA-N 1 2 263.341 2.005 20 30 CEEDLO C=CCCC1(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000342243277 263405424 /nfs/dbraw/zinc/40/54/24/263405424.db2.gz HSPIXHMZIWCECV-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO CC1(C)C[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328611957 263828687 /nfs/dbraw/zinc/82/86/87/263828687.db2.gz OXTBSROZVWCJBS-NWDGAFQWSA-N 1 2 276.384 2.310 20 30 CEEDLO CC[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330514746 263957334 /nfs/dbraw/zinc/95/73/34/263957334.db2.gz LMMBFYSUIINCKS-MRVPVSSYSA-N 1 2 278.278 2.248 20 30 CEEDLO CCCn1c(C)nnc1C[NH+]1CCC(C)(C#N)CC1 ZINC000330777886 264035161 /nfs/dbraw/zinc/03/51/61/264035161.db2.gz KSDGMIYNUMWKIU-UHFFFAOYSA-N 1 2 261.373 2.122 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000330854939 264069515 /nfs/dbraw/zinc/06/95/15/264069515.db2.gz ROYWVNWIOZKRCZ-LLVKDONJSA-N 1 2 277.372 2.367 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000330854939 264069517 /nfs/dbraw/zinc/06/95/17/264069517.db2.gz ROYWVNWIOZKRCZ-LLVKDONJSA-N 1 2 277.372 2.367 20 30 CEEDLO CC[C@H](C)C[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000330933616 264097366 /nfs/dbraw/zinc/09/73/66/264097366.db2.gz DTGPOPZWUGKYJQ-WDEREUQCSA-N 1 2 252.362 2.248 20 30 CEEDLO Cc1ccc(NC(=O)NCC[C@H](C)[S@@](C)=O)c(C)[nH+]1 ZINC000331164402 264143916 /nfs/dbraw/zinc/14/39/16/264143916.db2.gz LVUQALIBIWBXPK-APBUJDDRSA-N 1 2 283.397 2.181 20 30 CEEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000391895253 265024133 /nfs/dbraw/zinc/02/41/33/265024133.db2.gz GRNMVKCGEDZWKO-GFCCVEGCSA-N 1 2 272.352 2.231 20 30 CEEDLO C=C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356368076 266102860 /nfs/dbraw/zinc/10/28/60/266102860.db2.gz NAVZRWCWWHFEHR-WDEREUQCSA-N 1 2 261.369 2.329 20 30 CEEDLO C=C[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356368076 266102862 /nfs/dbraw/zinc/10/28/62/266102862.db2.gz NAVZRWCWWHFEHR-WDEREUQCSA-N 1 2 261.369 2.329 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000356467637 266119385 /nfs/dbraw/zinc/11/93/85/266119385.db2.gz BOWDYMSRECVSJF-ZIAGYGMSSA-N 1 2 285.391 2.446 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000356467637 266119386 /nfs/dbraw/zinc/11/93/86/266119386.db2.gz BOWDYMSRECVSJF-ZIAGYGMSSA-N 1 2 285.391 2.446 20 30 CEEDLO CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C[C@@H](C)C#N ZINC000356477732 266121866 /nfs/dbraw/zinc/12/18/66/266121866.db2.gz PHIHPUQDGLGYPU-BFHYXJOUSA-N 1 2 265.401 2.257 20 30 CEEDLO CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C[C@@H](C)C#N ZINC000356477732 266121869 /nfs/dbraw/zinc/12/18/69/266121869.db2.gz PHIHPUQDGLGYPU-BFHYXJOUSA-N 1 2 265.401 2.257 20 30 CEEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356781610 266173983 /nfs/dbraw/zinc/17/39/83/266173983.db2.gz TXOMXXSXQDTSSM-NWDGAFQWSA-N 1 2 288.395 2.446 20 30 CEEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356781610 266173984 /nfs/dbraw/zinc/17/39/84/266173984.db2.gz TXOMXXSXQDTSSM-NWDGAFQWSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357127313 266252540 /nfs/dbraw/zinc/25/25/40/266252540.db2.gz LXYUZLXLTMIKDJ-NEPJUHHUSA-N 1 2 263.341 2.054 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357127316 266252826 /nfs/dbraw/zinc/25/28/26/266252826.db2.gz LXYUZLXLTMIKDJ-VXGBXAGGSA-N 1 2 263.341 2.054 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000357548188 266320259 /nfs/dbraw/zinc/32/02/59/266320259.db2.gz BGUQQCPGFGVTDW-UHFFFAOYSA-N 1 2 261.247 2.325 20 30 CEEDLO C=CC[N@H+](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000357548188 266320262 /nfs/dbraw/zinc/32/02/62/266320262.db2.gz BGUQQCPGFGVTDW-UHFFFAOYSA-N 1 2 261.247 2.325 20 30 CEEDLO CCCNc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1C ZINC000517724134 267025219 /nfs/dbraw/zinc/02/52/19/267025219.db2.gz VGKJWPGWJFNDDH-UHFFFAOYSA-N 1 2 297.362 2.295 20 30 CEEDLO CC(C)(O)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000369295711 267233011 /nfs/dbraw/zinc/23/30/11/267233011.db2.gz YDUGMYKVFSKPMI-UKRRQHHQSA-N 1 2 266.385 2.075 20 30 CEEDLO CC(C)(O)CC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000369295711 267233015 /nfs/dbraw/zinc/23/30/15/267233015.db2.gz YDUGMYKVFSKPMI-UKRRQHHQSA-N 1 2 266.385 2.075 20 30 CEEDLO CCn1nnc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000449010745 267265284 /nfs/dbraw/zinc/26/52/84/267265284.db2.gz NGLCPDOITTZDNE-UHFFFAOYSA-N 1 2 269.352 2.110 20 30 CEEDLO CCn1nnc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000449010745 267265288 /nfs/dbraw/zinc/26/52/88/267265288.db2.gz NGLCPDOITTZDNE-UHFFFAOYSA-N 1 2 269.352 2.110 20 30 CEEDLO N#CC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000120070393 267356373 /nfs/dbraw/zinc/35/63/73/267356373.db2.gz YDMYSAGPFCAZEQ-UHFFFAOYSA-N 1 2 294.358 2.241 20 30 CEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCSCC#N ZINC000371310175 267386907 /nfs/dbraw/zinc/38/69/07/267386907.db2.gz HJTJWQXVFXYXFR-ZDUSSCGKSA-N 1 2 294.424 2.047 20 30 CEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCSCC#N ZINC000371310175 267386911 /nfs/dbraw/zinc/38/69/11/267386911.db2.gz HJTJWQXVFXYXFR-ZDUSSCGKSA-N 1 2 294.424 2.047 20 30 CEEDLO C[C@@H](CNC(=O)/C=C/c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000492085324 267696685 /nfs/dbraw/zinc/69/66/85/267696685.db2.gz DDCKQKLHRSFAAY-UZYOAWRESA-N 1 2 294.358 2.220 20 30 CEEDLO C=CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375230499 267841197 /nfs/dbraw/zinc/84/11/97/267841197.db2.gz UXNHJHJMTZXZOE-UHFFFAOYSA-N 1 2 299.378 2.423 20 30 CEEDLO Cc1cc(N[C@@H](C)CCC(=O)OC(C)C)c(C#N)c[nH+]1 ZINC000425252650 267952685 /nfs/dbraw/zinc/95/26/85/267952685.db2.gz BMXDRVGCCUTNON-NSHDSACASA-N 1 2 275.352 2.216 20 30 CEEDLO Cn1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1C#N ZINC000459608561 268127369 /nfs/dbraw/zinc/12/73/69/268127369.db2.gz HZYIGXZUGDIFKA-UHFFFAOYSA-N 1 2 292.342 2.032 20 30 CEEDLO Cn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C#N ZINC000519575336 268127463 /nfs/dbraw/zinc/12/74/63/268127463.db2.gz NGVBEVAWGDRRDD-UHFFFAOYSA-N 1 2 296.330 2.363 20 30 CEEDLO Cn1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C#N ZINC000519575336 268127465 /nfs/dbraw/zinc/12/74/65/268127465.db2.gz NGVBEVAWGDRRDD-UHFFFAOYSA-N 1 2 296.330 2.363 20 30 CEEDLO CCN1CCN(c2ccc(F)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480628 269656038 /nfs/dbraw/zinc/65/60/38/269656038.db2.gz AZMOKPJHNWKOBA-OAHLLOKOSA-N 1 2 299.353 2.304 20 30 CEEDLO COc1ccc(CCNc2cc(C)[nH+]cc2C#N)c(OC)c1 ZINC000425232844 271141942 /nfs/dbraw/zinc/14/19/42/271141942.db2.gz XJYRGWGIJGOCSB-UHFFFAOYSA-N 1 2 297.358 2.355 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1(C)COC1)C2 ZINC000329281407 277270484 /nfs/dbraw/zinc/27/04/84/277270484.db2.gz DYXOVCKIGMVNOC-NSHDSACASA-N 1 2 291.395 2.488 20 30 CEEDLO CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329039869 277272531 /nfs/dbraw/zinc/27/25/31/277272531.db2.gz HWARRUKWXYALRT-SNVBAGLBSA-N 1 2 287.367 2.223 20 30 CEEDLO C#CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000128280022 277691726 /nfs/dbraw/zinc/69/17/26/277691726.db2.gz JQHXLCPUVVZPBL-JKSUJKDBSA-N 1 2 294.358 2.044 20 30 CEEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330302825 278393981 /nfs/dbraw/zinc/39/39/81/278393981.db2.gz JOUKSCBYWKHFIL-IINYFYTJSA-N 1 2 258.325 2.094 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000135150831 280038366 /nfs/dbraw/zinc/03/83/66/280038366.db2.gz LPJXAKZHZINJCS-UHFFFAOYSA-N 1 2 257.249 2.349 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCOC2)O1 ZINC000376670323 288210817 /nfs/dbraw/zinc/21/08/17/288210817.db2.gz GRKSKLQVFNVEDW-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@]2(CCOC2)O1 ZINC000376670323 288210821 /nfs/dbraw/zinc/21/08/21/288210821.db2.gz GRKSKLQVFNVEDW-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H](O)CN1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000246384596 290116576 /nfs/dbraw/zinc/11/65/76/290116576.db2.gz NOMLKWABNXQNLP-ILXRZTDVSA-N 1 2 287.407 2.006 20 30 CEEDLO C[C@H](O)CN1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000246384596 290116577 /nfs/dbraw/zinc/11/65/77/290116577.db2.gz NOMLKWABNXQNLP-ILXRZTDVSA-N 1 2 287.407 2.006 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1N(Cc2nc(C#N)cs2)CC1(C)C ZINC000560152750 298635400 /nfs/dbraw/zinc/63/54/00/298635400.db2.gz PYWKHYOSZMMILR-GFCCVEGCSA-N 1 2 287.392 2.331 20 30 CEEDLO N#CC1(NC(=O)C[N@@H+]2CCCc3occc3C2)CCC1 ZINC000329628250 303138254 /nfs/dbraw/zinc/13/82/54/303138254.db2.gz HFCIRAPOQUMCRL-UHFFFAOYSA-N 1 2 273.336 2.431 20 30 CEEDLO N#CC1(NC(=O)C[N@H+]2CCCc3occc3C2)CCC1 ZINC000329628250 303138256 /nfs/dbraw/zinc/13/82/56/303138256.db2.gz HFCIRAPOQUMCRL-UHFFFAOYSA-N 1 2 273.336 2.431 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548320269 313559395 /nfs/dbraw/zinc/55/93/95/313559395.db2.gz ACBPTIJFBYDIHQ-CYBMUJFWSA-N 1 2 295.346 2.200 20 30 CEEDLO N#Cc1csc(CSCCn2cc[nH+]c2)n1 ZINC000568491828 313960641 /nfs/dbraw/zinc/96/06/41/313960641.db2.gz NYBFTTIQAOXIFQ-UHFFFAOYSA-N 1 2 250.352 2.145 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000364735540 327889961 /nfs/dbraw/zinc/88/99/61/327889961.db2.gz BUQDCSSGRUNIIR-ZDUSSCGKSA-N 1 2 277.368 2.066 20 30 CEEDLO C=C(C)CN(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364859650 327891571 /nfs/dbraw/zinc/89/15/71/327891571.db2.gz MEBVMEHBXLEKJZ-CQSZACIVSA-N 1 2 273.380 2.333 20 30 CEEDLO CCc1ccccc1NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000563363713 328059287 /nfs/dbraw/zinc/05/92/87/328059287.db2.gz ABSJJYWOZRFWPR-ZDUSSCGKSA-N 1 2 259.353 2.469 20 30 CEEDLO COC(=O)c1occc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272651107 328200403 /nfs/dbraw/zinc/20/04/03/328200403.db2.gz ZHJOCXACWTZWPS-UHFFFAOYSA-N 1 2 262.309 2.192 20 30 CEEDLO N#CCCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340226114 328249479 /nfs/dbraw/zinc/24/94/79/328249479.db2.gz BQZBVNSHICZWDU-LLVKDONJSA-N 1 2 261.354 2.239 20 30 CEEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293170636 328274707 /nfs/dbraw/zinc/27/47/07/328274707.db2.gz RWXBFULTSNAEPS-ZIAGYGMSSA-N 1 2 292.404 2.214 20 30 CEEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293170636 328274708 /nfs/dbraw/zinc/27/47/08/328274708.db2.gz RWXBFULTSNAEPS-ZIAGYGMSSA-N 1 2 292.404 2.214 20 30 CEEDLO N#CCSCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000049276132 328353562 /nfs/dbraw/zinc/35/35/62/328353562.db2.gz ALBHHJNCZIVURB-UHFFFAOYSA-N 1 2 272.333 2.272 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000292698902 328538210 /nfs/dbraw/zinc/53/82/10/328538210.db2.gz HHOSMKXHVMBOQH-ZDUSSCGKSA-N 1 2 273.380 2.379 20 30 CEEDLO CC#CCCCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457319988 328540341 /nfs/dbraw/zinc/54/03/41/328540341.db2.gz ZELXKYQGSYJOHP-UHFFFAOYSA-N 1 2 265.382 2.337 20 30 CEEDLO Cc1csc(NC(=O)NCCCn2cc[nH+]c2)c1C#N ZINC000583972964 326821483 /nfs/dbraw/zinc/82/14/83/326821483.db2.gz QQOBWJZJQCGUAS-UHFFFAOYSA-N 1 2 289.364 2.337 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(C(=O)OC)o1 ZINC000565783357 327011726 /nfs/dbraw/zinc/01/17/26/327011726.db2.gz NWVFEQNXMCAOMX-UWVGGRQHSA-N 1 2 250.298 2.409 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)ccc1F ZINC000564623667 327019731 /nfs/dbraw/zinc/01/97/31/327019731.db2.gz BFRNHZKVMBSNCH-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000560227124 327291278 /nfs/dbraw/zinc/29/12/78/327291278.db2.gz KPIKCWAQGIWUES-OLZOCXBDSA-N 1 2 270.336 2.188 20 30 CEEDLO CC#CC[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000157487970 327431782 /nfs/dbraw/zinc/43/17/82/327431782.db2.gz GCXQTARHEYCBGH-UHFFFAOYSA-N 1 2 272.396 2.054 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000562537314 327490481 /nfs/dbraw/zinc/49/04/81/327490481.db2.gz OGELTHXUCYUYBV-CABCVRRESA-N 1 2 296.374 2.278 20 30 CEEDLO Cc1ccn2c(c1)nnc2C1CC[NH+](CCC#N)CC1 ZINC000372557506 328965451 /nfs/dbraw/zinc/96/54/51/328965451.db2.gz NCLFZYCWKAHZRZ-UHFFFAOYSA-N 1 2 269.352 2.131 20 30 CEEDLO COc1cc(C[NH2+]Cc2nnc(C)s2)ccc1C#N ZINC000391894660 328981593 /nfs/dbraw/zinc/98/15/93/328981593.db2.gz GIALJNKUCOVQES-UHFFFAOYSA-N 1 2 274.349 2.017 20 30 CEEDLO C=C(CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377347563 329012328 /nfs/dbraw/zinc/01/23/28/329012328.db2.gz TYRPFAIYBWIULQ-AWEZNQCLSA-N 1 2 296.374 2.280 20 30 CEEDLO C=C(CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377347563 329012329 /nfs/dbraw/zinc/01/23/29/329012329.db2.gz TYRPFAIYBWIULQ-AWEZNQCLSA-N 1 2 296.374 2.280 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378410821 329049563 /nfs/dbraw/zinc/04/95/63/329049563.db2.gz SFXSWGKYFSBSRQ-GFCCVEGCSA-N 1 2 263.341 2.056 20 30 CEEDLO CN(CC#N)C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000378524824 329054146 /nfs/dbraw/zinc/05/41/46/329054146.db2.gz YQDTXCADPKKXJS-CQSZACIVSA-N 1 2 294.358 2.094 20 30 CEEDLO CC(C)C[C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582549938 329105910 /nfs/dbraw/zinc/10/59/10/329105910.db2.gz KVWFGQCIHNKJBO-JSGCOSHPSA-N 1 2 253.390 2.019 20 30 CEEDLO Cc1cc2[nH+]cn(CC(=O)N[C@](C)(C#N)C3CC3)c2cc1C ZINC000189441913 329382430 /nfs/dbraw/zinc/38/24/30/329382430.db2.gz LAVRFUMJYQXBBU-QGZVFWFLSA-N 1 2 296.374 2.462 20 30 CEEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(-c2cccnc2)[nH+]1 ZINC000425270822 329653443 /nfs/dbraw/zinc/65/34/43/329653443.db2.gz HBZFHZLSDAUZDC-GXTWGEPZSA-N 1 2 279.347 2.373 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000268520903 330065983 /nfs/dbraw/zinc/06/59/83/330065983.db2.gz FQSXPGNUKZLABY-MRXNPFEDSA-N 1 2 291.391 2.379 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000268520903 330065985 /nfs/dbraw/zinc/06/59/85/330065985.db2.gz FQSXPGNUKZLABY-MRXNPFEDSA-N 1 2 291.391 2.379 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ncccc2CC)nn1 ZINC000424291704 330334926 /nfs/dbraw/zinc/33/49/26/330334926.db2.gz FFNQHDBCCPRAQE-GFCCVEGCSA-N 1 2 271.368 2.272 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3ccccc32)nn1 ZINC000424296778 330336244 /nfs/dbraw/zinc/33/62/44/330336244.db2.gz PIZJTMQVFBYHBC-HNNXBMFYSA-N 1 2 284.363 2.468 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)OCC ZINC000449654067 330942171 /nfs/dbraw/zinc/94/21/71/330942171.db2.gz DEQSYRNMSRPMAK-FVCCEPFGSA-N 1 2 255.358 2.040 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000450202612 330965527 /nfs/dbraw/zinc/96/55/27/330965527.db2.gz UNRDVNZTHAWDKN-GFCCVEGCSA-N 1 2 261.369 2.397 20 30 CEEDLO O=C1N=NC([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC000450904803 331006164 /nfs/dbraw/zinc/00/61/64/331006164.db2.gz NFCYISOQYUMWNJ-AWEZNQCLSA-N 1 2 283.331 2.006 20 30 CEEDLO O=C1N=NC([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC000450904803 331006165 /nfs/dbraw/zinc/00/61/65/331006165.db2.gz NFCYISOQYUMWNJ-AWEZNQCLSA-N 1 2 283.331 2.006 20 30 CEEDLO O=c1[nH]nc([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC000450904803 331006166 /nfs/dbraw/zinc/00/61/66/331006166.db2.gz NFCYISOQYUMWNJ-AWEZNQCLSA-N 1 2 283.331 2.006 20 30 CEEDLO O=c1[nH]nc([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC000450904803 331006167 /nfs/dbraw/zinc/00/61/67/331006167.db2.gz NFCYISOQYUMWNJ-AWEZNQCLSA-N 1 2 283.331 2.006 20 30 CEEDLO C=C(CC)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000450904473 331006176 /nfs/dbraw/zinc/00/61/76/331006176.db2.gz AXVHZRQKGCFUEI-UHFFFAOYSA-N 1 2 264.398 2.408 20 30 CEEDLO C=C(CC)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000450904473 331006177 /nfs/dbraw/zinc/00/61/77/331006177.db2.gz AXVHZRQKGCFUEI-UHFFFAOYSA-N 1 2 264.398 2.408 20 30 CEEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000450918282 331007256 /nfs/dbraw/zinc/00/72/56/331007256.db2.gz VEFRWCYSCTUTRZ-FMKPAKJESA-N 1 2 278.396 2.339 20 30 CEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000450918282 331007257 /nfs/dbraw/zinc/00/72/57/331007257.db2.gz VEFRWCYSCTUTRZ-FMKPAKJESA-N 1 2 278.396 2.339 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451121481 331016386 /nfs/dbraw/zinc/01/63/86/331016386.db2.gz OIRNNVCREYKPJV-CQSZACIVSA-N 1 2 256.365 2.235 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451121481 331016387 /nfs/dbraw/zinc/01/63/87/331016387.db2.gz OIRNNVCREYKPJV-CQSZACIVSA-N 1 2 256.365 2.235 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793010 331042166 /nfs/dbraw/zinc/04/21/66/331042166.db2.gz AUCIZTPUDYCGGG-HNNXBMFYSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451793010 331042167 /nfs/dbraw/zinc/04/21/67/331042167.db2.gz AUCIZTPUDYCGGG-HNNXBMFYSA-N 1 2 265.328 2.402 20 30 CEEDLO N#CCCOCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451806689 331042990 /nfs/dbraw/zinc/04/29/90/331042990.db2.gz ZOCOUFVVVLDPAU-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CCCOCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451806689 331042991 /nfs/dbraw/zinc/04/29/91/331042991.db2.gz ZOCOUFVVVLDPAU-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO C=CC(C)(C)CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455387985 331168352 /nfs/dbraw/zinc/16/83/52/331168352.db2.gz QUWVXEXOSSUEAF-MNOVXSKESA-N 1 2 262.357 2.400 20 30 CEEDLO C[C@H](C#N)C[N@H+](CCn1cc(Cl)cn1)C1CC1 ZINC000459370905 331278682 /nfs/dbraw/zinc/27/86/82/331278682.db2.gz HSWMYSMVLMGRLK-SNVBAGLBSA-N 1 2 252.749 2.161 20 30 CEEDLO C[C@H](C#N)C[N@@H+](CCn1cc(Cl)cn1)C1CC1 ZINC000459370905 331278683 /nfs/dbraw/zinc/27/86/83/331278683.db2.gz HSWMYSMVLMGRLK-SNVBAGLBSA-N 1 2 252.749 2.161 20 30 CEEDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000459467169 331283172 /nfs/dbraw/zinc/28/31/72/331283172.db2.gz PFMBFUZINSNWHA-WHOFXGATSA-N 1 2 299.374 2.498 20 30 CEEDLO COc1ccc(C[NH+]2CC(OC)C2)cc1OCCCC#N ZINC000459582248 331289257 /nfs/dbraw/zinc/28/92/57/331289257.db2.gz MUCOUAOYRXBDJY-UHFFFAOYSA-N 1 2 290.363 2.208 20 30 CEEDLO C#CC[N@H+](CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000490851019 332120335 /nfs/dbraw/zinc/12/03/35/332120335.db2.gz DYXMVTCPOGOGNH-CYBMUJFWSA-N 1 2 258.365 2.121 20 30 CEEDLO C#CC[N@@H+](CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000490851019 332120336 /nfs/dbraw/zinc/12/03/36/332120336.db2.gz DYXMVTCPOGOGNH-CYBMUJFWSA-N 1 2 258.365 2.121 20 30 CEEDLO C#CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490866751 332122151 /nfs/dbraw/zinc/12/21/51/332122151.db2.gz SWVPDTGRNGEFIG-MRXNPFEDSA-N 1 2 296.374 2.174 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1c(C)nn(CCC)c1C ZINC000490914277 332128305 /nfs/dbraw/zinc/12/83/05/332128305.db2.gz HBCSIBFNCMJYIZ-UHFFFAOYSA-N 1 2 257.381 2.368 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1c(C)nn(CCC)c1C ZINC000490914277 332128306 /nfs/dbraw/zinc/12/83/06/332128306.db2.gz HBCSIBFNCMJYIZ-UHFFFAOYSA-N 1 2 257.381 2.368 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(OC)c1OC ZINC000490926042 332130261 /nfs/dbraw/zinc/13/02/61/332130261.db2.gz ZKVMBKFCMCLWNH-UHFFFAOYSA-N 1 2 287.359 2.171 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(OC)c1OC ZINC000490926042 332130262 /nfs/dbraw/zinc/13/02/62/332130262.db2.gz ZKVMBKFCMCLWNH-UHFFFAOYSA-N 1 2 287.359 2.171 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491288008 332182046 /nfs/dbraw/zinc/18/20/46/332182046.db2.gz PDODWVMRANSHIF-VIFPVBQESA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491288008 332182047 /nfs/dbraw/zinc/18/20/47/332182047.db2.gz PDODWVMRANSHIF-VIFPVBQESA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000491395034 332203995 /nfs/dbraw/zinc/20/39/95/332203995.db2.gz QIERKOVWOLQBBO-CABCVRRESA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000491395034 332203996 /nfs/dbraw/zinc/20/39/96/332203996.db2.gz QIERKOVWOLQBBO-CABCVRRESA-N 1 2 270.376 2.222 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491395244 332204026 /nfs/dbraw/zinc/20/40/26/332204026.db2.gz RHYITORZFHODFJ-OAHLLOKOSA-N 1 2 281.359 2.496 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)C1CC1 ZINC000491508052 332225753 /nfs/dbraw/zinc/22/57/53/332225753.db2.gz YHUYNNWZTSJYKA-UHFFFAOYSA-N 1 2 286.375 2.177 20 30 CEEDLO C#CC[N@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)C1CC1 ZINC000491508052 332225754 /nfs/dbraw/zinc/22/57/54/332225754.db2.gz YHUYNNWZTSJYKA-UHFFFAOYSA-N 1 2 286.375 2.177 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1nc(CC)c(C)s1)C1CC1 ZINC000491624431 332248276 /nfs/dbraw/zinc/24/82/76/332248276.db2.gz QPXOJVLZUWCVCW-UHFFFAOYSA-N 1 2 277.393 2.050 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1nc(CC)c(C)s1)C1CC1 ZINC000491624431 332248277 /nfs/dbraw/zinc/24/82/77/332248277.db2.gz QPXOJVLZUWCVCW-UHFFFAOYSA-N 1 2 277.393 2.050 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000491659382 332270094 /nfs/dbraw/zinc/27/00/94/332270094.db2.gz MGDVOJMVCQEEIX-GFCCVEGCSA-N 1 2 257.312 2.465 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000491659382 332270095 /nfs/dbraw/zinc/27/00/95/332270095.db2.gz MGDVOJMVCQEEIX-GFCCVEGCSA-N 1 2 257.312 2.465 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C#N)cs2)n1 ZINC000491728797 332311404 /nfs/dbraw/zinc/31/14/04/332311404.db2.gz IAYQSQQDKVOIGQ-UHFFFAOYSA-N 1 2 284.388 2.472 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C#N)cs2)n1 ZINC000491728797 332311405 /nfs/dbraw/zinc/31/14/05/332311405.db2.gz IAYQSQQDKVOIGQ-UHFFFAOYSA-N 1 2 284.388 2.472 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](Cc2cccc(F)c2)OC1=O ZINC000491738328 332318005 /nfs/dbraw/zinc/31/80/05/332318005.db2.gz CGIYTCPFPZWTHX-DOMZBBRYSA-N 1 2 290.338 2.100 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](Cc2cccc(F)c2)OC1=O ZINC000491738328 332318006 /nfs/dbraw/zinc/31/80/06/332318006.db2.gz CGIYTCPFPZWTHX-DOMZBBRYSA-N 1 2 290.338 2.100 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000491740333 332319277 /nfs/dbraw/zinc/31/92/77/332319277.db2.gz DQUWVYBWVFCWGI-VIFPVBQESA-N 1 2 264.712 2.159 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000491740333 332319278 /nfs/dbraw/zinc/31/92/78/332319278.db2.gz DQUWVYBWVFCWGI-VIFPVBQESA-N 1 2 264.712 2.159 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000491779060 332343751 /nfs/dbraw/zinc/34/37/51/332343751.db2.gz YXRZKFHWVZRVAE-JTQLQIEISA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000491779060 332343752 /nfs/dbraw/zinc/34/37/52/332343752.db2.gz YXRZKFHWVZRVAE-JTQLQIEISA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000491780658 332344926 /nfs/dbraw/zinc/34/49/26/332344926.db2.gz MAUMUTHMNUELMG-GFCCVEGCSA-N 1 2 274.389 2.079 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000491780658 332344928 /nfs/dbraw/zinc/34/49/28/332344928.db2.gz MAUMUTHMNUELMG-GFCCVEGCSA-N 1 2 274.389 2.079 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC000522011503 333230162 /nfs/dbraw/zinc/23/01/62/333230162.db2.gz NWFZTVDXOPJAMG-LBPRGKRZSA-N 1 2 264.300 2.394 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000192220657 333232822 /nfs/dbraw/zinc/23/28/22/333232822.db2.gz RDEQGJGRCKAWRN-SNVBAGLBSA-N 1 2 287.388 2.000 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000192220657 333232823 /nfs/dbraw/zinc/23/28/23/333232823.db2.gz RDEQGJGRCKAWRN-SNVBAGLBSA-N 1 2 287.388 2.000 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000192226865 333233110 /nfs/dbraw/zinc/23/31/10/333233110.db2.gz YIIOOVHFESODDU-UHFFFAOYSA-N 1 2 283.375 2.115 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000192226865 333233112 /nfs/dbraw/zinc/23/31/12/333233112.db2.gz YIIOOVHFESODDU-UHFFFAOYSA-N 1 2 283.375 2.115 20 30 CEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)o1 ZINC000541688831 333786914 /nfs/dbraw/zinc/78/69/14/333786914.db2.gz AOAGWEMYNGUJNH-JTQLQIEISA-N 1 2 256.309 2.295 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCCC1(C)C ZINC000576230450 335174750 /nfs/dbraw/zinc/17/47/50/335174750.db2.gz AMAGWHJIGGAILF-SWLSCSKDSA-N 1 2 265.401 2.163 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000134930042 334108868 /nfs/dbraw/zinc/10/88/68/334108868.db2.gz UTWHMPJGYRQYND-INIZCTEOSA-N 1 2 275.396 2.480 20 30 CEEDLO CCCC[N@H+](CC#Cc1ccccc1Cl)CC(N)=O ZINC000134992074 334111299 /nfs/dbraw/zinc/11/12/99/334111299.db2.gz QXTIBHMFGOEIDX-UHFFFAOYSA-N 1 2 278.783 2.279 20 30 CEEDLO CCCC[N@@H+](CC#Cc1ccccc1Cl)CC(N)=O ZINC000134992074 334111300 /nfs/dbraw/zinc/11/13/00/334111300.db2.gz QXTIBHMFGOEIDX-UHFFFAOYSA-N 1 2 278.783 2.279 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000136167721 334148395 /nfs/dbraw/zinc/14/83/95/334148395.db2.gz RXLQAFKXAVQFSH-QGZVFWFLSA-N 1 2 285.391 2.271 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](C#N)CCC#N ZINC000554551448 334437429 /nfs/dbraw/zinc/43/74/29/334437429.db2.gz FQPWLRNWQZSJKF-INIZCTEOSA-N 1 2 298.390 2.068 20 30 CEEDLO CCCC[C@@H](CC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576470369 335208343 /nfs/dbraw/zinc/20/83/43/335208343.db2.gz XHSUBZXQXWRPIU-OCCSQVGLSA-N 1 2 253.390 2.163 20 30 CEEDLO C=CCCCCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000577623028 335380395 /nfs/dbraw/zinc/38/03/95/335380395.db2.gz BLTHVOQHUNVZRZ-ZDUSSCGKSA-N 1 2 264.373 2.317 20 30 CEEDLO C#CC[N@@H+](C)Cc1ccc(C(=O)OC)cc1Br ZINC000383698469 336116795 /nfs/dbraw/zinc/11/67/95/336116795.db2.gz GREDSYKXZCRPSG-UHFFFAOYSA-N 1 2 296.164 2.301 20 30 CEEDLO C#CC[N@H+](C)Cc1ccc(C(=O)OC)cc1Br ZINC000383698469 336116796 /nfs/dbraw/zinc/11/67/96/336116796.db2.gz GREDSYKXZCRPSG-UHFFFAOYSA-N 1 2 296.164 2.301 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345450275 517326469 /nfs/dbraw/zinc/32/64/69/517326469.db2.gz PWBVQGFRLWJHEQ-ZFWWWQNUSA-N 1 2 290.363 2.043 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000186056732 518629382 /nfs/dbraw/zinc/62/93/82/518629382.db2.gz MDLNOAXQRDTAPN-CYBMUJFWSA-N 1 2 288.395 2.036 20 30 CEEDLO C=CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184868286 518904258 /nfs/dbraw/zinc/90/42/58/518904258.db2.gz YXJLQURCPMQHSW-LBPRGKRZSA-N 1 2 279.409 2.322 20 30 CEEDLO CCOC(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000069402443 520576858 /nfs/dbraw/zinc/57/68/58/520576858.db2.gz NYAOOVMYBOXIJF-UHFFFAOYSA-N 1 2 290.338 2.472 20 30 CEEDLO N#CC1(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000336006751 534550317 /nfs/dbraw/zinc/55/03/17/534550317.db2.gz YBSCBGWTXGPOED-NSHDSACASA-N 1 2 250.733 2.087 20 30 CEEDLO N#CC1(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000336006751 534550320 /nfs/dbraw/zinc/55/03/20/534550320.db2.gz YBSCBGWTXGPOED-NSHDSACASA-N 1 2 250.733 2.087 20 30 CEEDLO N#CCc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000336443961 534715755 /nfs/dbraw/zinc/71/57/55/534715755.db2.gz VGYQRABLPSIQOJ-AWEZNQCLSA-N 1 2 280.331 2.453 20 30 CEEDLO N#CCc1cccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000336443638 534727490 /nfs/dbraw/zinc/72/74/90/534727490.db2.gz FDSFKIIMIGZOGH-AWEZNQCLSA-N 1 2 280.331 2.453 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000110941728 527071191 /nfs/dbraw/zinc/07/11/91/527071191.db2.gz PSHOYKLUEYYOIW-UHFFFAOYSA-N 1 2 279.409 2.062 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000336102095 527596282 /nfs/dbraw/zinc/59/62/82/527596282.db2.gz XOWCLQTYOPCARL-ZDUSSCGKSA-N 1 2 287.363 2.204 20 30 CEEDLO CC1(C)C[S@](=O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336627875 527771961 /nfs/dbraw/zinc/77/19/61/527771961.db2.gz GPPFXJKVBMMGNA-LJQANCHMSA-N 1 2 276.405 2.096 20 30 CEEDLO CC1(C)C[S@](=O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000336627875 527771963 /nfs/dbraw/zinc/77/19/63/527771963.db2.gz GPPFXJKVBMMGNA-LJQANCHMSA-N 1 2 276.405 2.096 20 30 CEEDLO CC[C@H]1CCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330180611 529239449 /nfs/dbraw/zinc/23/94/49/529239449.db2.gz NKFSORWSWYGDIP-ZDUSSCGKSA-N 1 2 276.384 2.160 20 30 CEEDLO CC(C)N(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000726532294 574427261 /nfs/dbraw/zinc/42/72/61/574427261.db2.gz DXZXLDRSBCKVGQ-UHFFFAOYSA-N 1 2 283.335 2.032 20 30 CEEDLO O=C1/C(=C/c2ncc[nH]2)CCC/C1=C\c1[nH]cc[nH+]1 ZINC000731156060 574590409 /nfs/dbraw/zinc/59/04/09/574590409.db2.gz ZJHKTEAMAVSKGF-GFULKKFKSA-N 1 2 254.293 2.353 20 30 CEEDLO COc1cccc2c1OC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000731159375 574590735 /nfs/dbraw/zinc/59/07/35/574590735.db2.gz PHIGHJMDVBYYEK-VQHVLOKHSA-N 1 2 256.261 2.077 20 30 CEEDLO Nc1[nH+]cccc1CN=Nc1ncnc2ccsc21 ZINC000764835527 574604045 /nfs/dbraw/zinc/60/40/45/574604045.db2.gz NXXBHVWENKWFES-UHFFFAOYSA-N 1 2 270.321 2.115 20 30 CEEDLO Cc1cc(N=NCc2ccc(-n3cc[nH+]c3)cc2)ncn1 ZINC000731935732 574607505 /nfs/dbraw/zinc/60/75/05/574607505.db2.gz ODOWGOAPESVVEW-UHFFFAOYSA-N 1 2 278.319 2.417 20 30 CEEDLO CCCCCCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000732149060 574613577 /nfs/dbraw/zinc/61/35/77/574613577.db2.gz BZYCQMLRPYQIEJ-OAHLLOKOSA-N 1 2 283.460 2.099 20 30 CEEDLO CCCCCCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000732149060 574613578 /nfs/dbraw/zinc/61/35/78/574613578.db2.gz BZYCQMLRPYQIEJ-OAHLLOKOSA-N 1 2 283.460 2.099 20 30 CEEDLO C#CCOc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC000733325609 574664075 /nfs/dbraw/zinc/66/40/75/574664075.db2.gz MXBHVZJCYKZWDC-UHFFFAOYSA-N 1 2 256.305 2.285 20 30 CEEDLO C#CCCOc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000733900235 574690127 /nfs/dbraw/zinc/69/01/27/574690127.db2.gz LPFZYICQVJJXHI-UHFFFAOYSA-N 1 2 255.321 2.102 20 30 CEEDLO N#Cc1ccc(C(F)(F)F)nc1-n1c[nH+]c(CCCO)c1 ZINC000734479422 574714673 /nfs/dbraw/zinc/71/46/73/574714673.db2.gz QKLFSQZLRIGBOR-UHFFFAOYSA-N 1 2 296.252 2.083 20 30 CEEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnccn1 ZINC000734748242 574729084 /nfs/dbraw/zinc/72/90/84/574729084.db2.gz KQUQFLJADCHCOE-UHFFFAOYSA-N 1 2 263.304 2.283 20 30 CEEDLO CCON=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735612899 574763187 /nfs/dbraw/zinc/76/31/87/574763187.db2.gz QSRWABYALZJPHK-HNNXBMFYSA-N 1 2 262.353 2.300 20 30 CEEDLO CCON=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735612899 574763188 /nfs/dbraw/zinc/76/31/88/574763188.db2.gz QSRWABYALZJPHK-HNNXBMFYSA-N 1 2 262.353 2.300 20 30 CEEDLO C=C(C)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741380958 574983550 /nfs/dbraw/zinc/98/35/50/574983550.db2.gz ATBPRPRUWKOBTA-OAHLLOKOSA-N 1 2 275.348 2.007 20 30 CEEDLO C=C(C)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741380958 574983552 /nfs/dbraw/zinc/98/35/52/574983552.db2.gz ATBPRPRUWKOBTA-OAHLLOKOSA-N 1 2 275.348 2.007 20 30 CEEDLO C=CCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741379952 574983612 /nfs/dbraw/zinc/98/36/12/574983612.db2.gz AZMYAVDIDOMWPE-INIZCTEOSA-N 1 2 289.375 2.397 20 30 CEEDLO C=CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741379952 574983615 /nfs/dbraw/zinc/98/36/15/574983615.db2.gz AZMYAVDIDOMWPE-INIZCTEOSA-N 1 2 289.375 2.397 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]\C2CCN(C(C)=O)CC2)c1 ZINC000743334169 575049299 /nfs/dbraw/zinc/04/92/99/575049299.db2.gz PJOLVNHLNHADQF-BOPFTXTBSA-N 1 2 290.363 2.221 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC(C)C)CC(C)C ZINC000743852278 575110874 /nfs/dbraw/zinc/11/08/74/575110874.db2.gz JMIKLVHRPCXHKT-UHFFFAOYSA-N 1 2 276.424 2.086 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC(C)C)CC(C)C ZINC000743852278 575110875 /nfs/dbraw/zinc/11/08/75/575110875.db2.gz JMIKLVHRPCXHKT-UHFFFAOYSA-N 1 2 276.424 2.086 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000744409740 575120966 /nfs/dbraw/zinc/12/09/66/575120966.db2.gz GLEUUPHAKADCNV-UHFFFAOYSA-N 1 2 295.338 2.266 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000744409740 575120967 /nfs/dbraw/zinc/12/09/67/575120967.db2.gz GLEUUPHAKADCNV-UHFFFAOYSA-N 1 2 295.338 2.266 20 30 CEEDLO C=CC[NH+]1CCC([NH2+]Cc2cccc(C(=O)[O-])c2)CC1 ZINC000819713460 598203608 /nfs/dbraw/zinc/20/36/08/598203608.db2.gz NQBVYTSBYFFEBO-UHFFFAOYSA-N 1 2 274.364 2.125 20 30 CEEDLO C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000833369291 605089924 /nfs/dbraw/zinc/08/99/24/605089924.db2.gz PJAXAWFQQKXOMK-UHFFFAOYSA-N 1 2 292.379 2.416 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC000957445214 613294422 /nfs/dbraw/zinc/29/44/22/613294422.db2.gz JCDXJNSHKUWBOZ-CVEARBPZSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC000957445215 613294863 /nfs/dbraw/zinc/29/48/63/613294863.db2.gz JCDXJNSHKUWBOZ-HOTGVXAUSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)sn2)C1 ZINC000949981687 613295843 /nfs/dbraw/zinc/29/58/43/613295843.db2.gz VDXVOBYOTYUCAE-UHFFFAOYSA-N 1 2 279.409 2.174 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000969936462 613371630 /nfs/dbraw/zinc/37/16/30/613371630.db2.gz QBUKXMLXPIVUER-KOLCDFICSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccncc2C)C1 ZINC000969610157 613371756 /nfs/dbraw/zinc/37/17/56/613371756.db2.gz ZFCNVGBAYWBXDP-GFCCVEGCSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncccc2C)C1 ZINC000969451920 613372664 /nfs/dbraw/zinc/37/26/64/613372664.db2.gz HQZYBKQAHMVNBA-LBPRGKRZSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000965932357 613375644 /nfs/dbraw/zinc/37/56/44/613375644.db2.gz WUMRLECRISHIAD-RISCZKNCSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccoc2)C1 ZINC000965932357 613375645 /nfs/dbraw/zinc/37/56/45/613375645.db2.gz WUMRLECRISHIAD-RISCZKNCSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccncc2)C(C)(C)C1 ZINC000972751061 613380039 /nfs/dbraw/zinc/38/00/39/613380039.db2.gz QIZWAAYWKZQBIS-CYBMUJFWSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccncc2)C(C)(C)C1 ZINC000972751061 613380040 /nfs/dbraw/zinc/38/00/40/613380040.db2.gz QIZWAAYWKZQBIS-CYBMUJFWSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000972247749 613502892 /nfs/dbraw/zinc/50/28/92/613502892.db2.gz VUOOBZKOVZCTBT-GDBMZVCRSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000972247749 613502896 /nfs/dbraw/zinc/50/28/96/613502896.db2.gz VUOOBZKOVZCTBT-GDBMZVCRSA-N 1 2 291.395 2.310 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)c2cccc(F)c2)CC1 ZINC000950462567 613707130 /nfs/dbraw/zinc/70/71/30/613707130.db2.gz VRCAMPCFZCEDIR-UHFFFAOYSA-N 1 2 290.382 2.434 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC000949201180 613707475 /nfs/dbraw/zinc/70/74/75/613707475.db2.gz GVMMFGRDAFVKHI-UHFFFAOYSA-N 1 2 272.392 2.258 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 ZINC000957060569 613717396 /nfs/dbraw/zinc/71/73/96/613717396.db2.gz ZMADVPJRIOUFQN-UHFFFAOYSA-N 1 2 299.296 2.044 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000972436432 613723572 /nfs/dbraw/zinc/72/35/72/613723572.db2.gz XKIZIECCELSMFJ-YOEHRIQHSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000972436432 613723574 /nfs/dbraw/zinc/72/35/74/613723574.db2.gz XKIZIECCELSMFJ-YOEHRIQHSA-N 1 2 294.439 2.158 20 30 CEEDLO Cc1nsc(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC000891425032 623622767 /nfs/dbraw/zinc/62/27/67/623622767.db2.gz WGARUTSVFVSTPC-SECBINFHSA-N 1 2 289.364 2.134 20 30 CEEDLO NC(=[NH+]OCCCOCC(F)(F)F)c1ccccc1 ZINC000077238339 623678724 /nfs/dbraw/zinc/67/87/24/623678724.db2.gz ANCAKPYUDFYBQM-UHFFFAOYSA-N 1 2 276.258 2.293 20 30 CEEDLO Cc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)no1 ZINC000044692807 624466311 /nfs/dbraw/zinc/46/63/11/624466311.db2.gz CKUDCUSPGXKXEQ-UHFFFAOYSA-N 1 2 257.293 2.175 20 30 CEEDLO C=C(C)COCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162108320 625061264 /nfs/dbraw/zinc/06/12/64/625061264.db2.gz SNCKACLYEPNLKT-UHFFFAOYSA-N 1 2 292.383 2.170 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000931142928 628373203 /nfs/dbraw/zinc/37/32/03/628373203.db2.gz ATEVKCJRZOTTKY-UHFFFAOYSA-N 1 2 288.372 2.363 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581017 628495200 /nfs/dbraw/zinc/49/52/00/628495200.db2.gz BZDLHHVALYQWDD-SMDDNHRTSA-N 1 2 277.324 2.110 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581017 628495204 /nfs/dbraw/zinc/49/52/04/628495204.db2.gz BZDLHHVALYQWDD-SMDDNHRTSA-N 1 2 277.324 2.110 20 30 CEEDLO CC[C@H]([NH2+]CCc1cnccn1)c1cccc(C#N)c1O ZINC000925688364 628498170 /nfs/dbraw/zinc/49/81/70/628498170.db2.gz DZGAQKOXZOYKBW-HNNXBMFYSA-N 1 2 282.347 2.337 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093090747 628585286 /nfs/dbraw/zinc/58/52/86/628585286.db2.gz NHARMIPFBIEJKZ-CYBMUJFWSA-N 1 2 291.370 2.396 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093090747 628585289 /nfs/dbraw/zinc/58/52/89/628585289.db2.gz NHARMIPFBIEJKZ-CYBMUJFWSA-N 1 2 291.370 2.396 20 30 CEEDLO COC[C@H](C)NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000777893906 628638301 /nfs/dbraw/zinc/63/83/01/628638301.db2.gz DDHBVIUQMVIIDE-LBPRGKRZSA-N 1 2 272.352 2.221 20 30 CEEDLO C=CCC1(O)CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000931749909 628826427 /nfs/dbraw/zinc/82/64/27/628826427.db2.gz DEUKANMEJLPFLI-UHFFFAOYSA-N 1 2 268.307 2.263 20 30 CEEDLO N#CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893983518 629076312 /nfs/dbraw/zinc/07/63/12/629076312.db2.gz CTADCWCXZUMBPM-UHFFFAOYSA-N 1 2 252.264 2.406 20 30 CEEDLO C=C(C)CCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894053109 629105140 /nfs/dbraw/zinc/10/51/40/629105140.db2.gz IHUOAOLGWDDJSG-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO C=C(C)CCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894053109 629105142 /nfs/dbraw/zinc/10/51/42/629105142.db2.gz IHUOAOLGWDDJSG-NSHDSACASA-N 1 2 250.346 2.038 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1cnc(C(=O)OCC)s1 ZINC000878513623 629230127 /nfs/dbraw/zinc/23/01/27/629230127.db2.gz DYQBZTWNCGSTLP-UHFFFAOYSA-N 1 2 266.366 2.163 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1cnc(C(=O)OCC)s1 ZINC000878513623 629230133 /nfs/dbraw/zinc/23/01/33/629230133.db2.gz DYQBZTWNCGSTLP-UHFFFAOYSA-N 1 2 266.366 2.163 20 30 CEEDLO COCCCON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000795041760 629415469 /nfs/dbraw/zinc/41/54/69/629415469.db2.gz IXUIKRWMULZGSA-UHFFFAOYSA-N 1 2 265.338 2.321 20 30 CEEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)c(F)c1OC ZINC000894454028 629467568 /nfs/dbraw/zinc/46/75/68/629467568.db2.gz MBZFKTYPPPZGHP-UHFFFAOYSA-N 1 2 266.316 2.482 20 30 CEEDLO C=CC[C@H]1CCCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000894523201 629510500 /nfs/dbraw/zinc/51/05/00/629510500.db2.gz VGXCGPQXBVQHSW-KBPBESRZSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC[C@H]1CCCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)C1 ZINC000894523201 629510508 /nfs/dbraw/zinc/51/05/08/629510508.db2.gz VGXCGPQXBVQHSW-KBPBESRZSA-N 1 2 290.411 2.452 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]CCC#N)c(C(F)(F)F)c1 ZINC000894579771 629543675 /nfs/dbraw/zinc/54/36/75/629543675.db2.gz OGRBXNANTQIAOK-UHFFFAOYSA-N 1 2 286.253 2.495 20 30 CEEDLO Cn1ncc2c1CCC[N@H+](Cc1csc(C#N)c1)C2 ZINC000894887734 629724809 /nfs/dbraw/zinc/72/48/09/629724809.db2.gz KFTHTWMVUCBKEW-UHFFFAOYSA-N 1 2 272.377 2.302 20 30 CEEDLO Cn1ncc2c1CCC[N@@H+](Cc1csc(C#N)c1)C2 ZINC000894887734 629724812 /nfs/dbraw/zinc/72/48/12/629724812.db2.gz KFTHTWMVUCBKEW-UHFFFAOYSA-N 1 2 272.377 2.302 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000801925744 634768227 /nfs/dbraw/zinc/76/82/27/634768227.db2.gz ILKXNDYLSPNSEY-SNVBAGLBSA-N 1 2 266.291 2.252 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000801925744 634768229 /nfs/dbraw/zinc/76/82/29/634768229.db2.gz ILKXNDYLSPNSEY-SNVBAGLBSA-N 1 2 266.291 2.252 20 30 CEEDLO Cc1cc[nH+]c(N)c1CN1Cc2cccc(C#N)c2C1 ZINC000895151274 629968011 /nfs/dbraw/zinc/96/80/11/629968011.db2.gz SKKKHNUXFTYCLJ-UHFFFAOYSA-N 1 2 264.332 2.360 20 30 CEEDLO COC/C(C)=C\CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000902699945 634779480 /nfs/dbraw/zinc/77/94/80/634779480.db2.gz WUKXICPCVDVUSV-POHAHGRESA-N 1 2 266.316 2.364 20 30 CEEDLO N#Cc1cccnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895353246 630133052 /nfs/dbraw/zinc/13/30/52/630133052.db2.gz RXNWJTGDKVCPOC-UHFFFAOYSA-N 1 2 279.347 2.429 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C(=O)OCC ZINC000895591791 630268528 /nfs/dbraw/zinc/26/85/28/630268528.db2.gz GPEWIKGYJWXPKA-MELADBBJSA-N 1 2 269.385 2.432 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C[C@@](C)(CC)OC)C(=O)OCC ZINC000895593304 630269264 /nfs/dbraw/zinc/26/92/64/630269264.db2.gz ZSYLVNWRJNLJOX-TZMCWYRMSA-N 1 2 257.374 2.289 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC000895723089 630315376 /nfs/dbraw/zinc/31/53/76/630315376.db2.gz QOBMFVKQWZUOPN-UHFFFAOYSA-N 1 2 293.370 2.437 20 30 CEEDLO C#CCCOc1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC000895723089 630315378 /nfs/dbraw/zinc/31/53/78/630315378.db2.gz QOBMFVKQWZUOPN-UHFFFAOYSA-N 1 2 293.370 2.437 20 30 CEEDLO Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(CCC#N)CC1 ZINC000895843750 630368058 /nfs/dbraw/zinc/36/80/58/630368058.db2.gz CISKGEPZMOLKNY-UHFFFAOYSA-N 1 2 289.427 2.112 20 30 CEEDLO Cc1ccc(CNc2cc(NC[C@H](C)O)[nH+]cn2)cc1C#N ZINC000896117624 630469388 /nfs/dbraw/zinc/46/93/88/630469388.db2.gz KGUWCGUBGRPBBA-LBPRGKRZSA-N 1 2 297.362 2.062 20 30 CEEDLO Cc1ccc(CNc2cc(NC[C@H](C)O)nc[nH+]2)cc1C#N ZINC000896117624 630469391 /nfs/dbraw/zinc/46/93/91/630469391.db2.gz KGUWCGUBGRPBBA-LBPRGKRZSA-N 1 2 297.362 2.062 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc(Cl)c(C#N)n1)C2 ZINC000896659965 630623493 /nfs/dbraw/zinc/62/34/93/630623493.db2.gz PQNGQYKEXVKGOT-UHFFFAOYSA-N 1 2 287.754 2.386 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc(C)c(C#N)n1)C2 ZINC000896660726 630624327 /nfs/dbraw/zinc/62/43/27/630624327.db2.gz SEAHDOONWNIEFE-UHFFFAOYSA-N 1 2 267.336 2.041 20 30 CEEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCOC[C@@H]2OC)c(O)c1 ZINC000840707520 630763373 /nfs/dbraw/zinc/76/33/73/630763373.db2.gz PJVNPQBYJXBEMM-CCFPZIGBSA-N 1 2 293.363 2.261 20 30 CEEDLO COc1cc(F)ccc1N[NH2+]C1=CC(=O)N2CCCC[C@H]12 ZINC000799485556 631032175 /nfs/dbraw/zinc/03/21/75/631032175.db2.gz LBALYRGEOOECOG-CYBMUJFWSA-N 1 2 291.326 2.387 20 30 CEEDLO C=C(C)C[N@@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985443499 631082017 /nfs/dbraw/zinc/08/20/17/631082017.db2.gz VNRODCXZJJYNHK-NSHDSACASA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985443499 631082021 /nfs/dbraw/zinc/08/20/21/631082021.db2.gz VNRODCXZJJYNHK-NSHDSACASA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000985443499 631082029 /nfs/dbraw/zinc/08/20/29/631082029.db2.gz VNRODCXZJJYNHK-NSHDSACASA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000985443499 631082034 /nfs/dbraw/zinc/08/20/34/631082034.db2.gz VNRODCXZJJYNHK-NSHDSACASA-N 1 2 296.308 2.386 20 30 CEEDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(CC#N)CC1 ZINC000801539045 631285882 /nfs/dbraw/zinc/28/58/82/631285882.db2.gz UCIJFBXRZAGENZ-UHFFFAOYSA-N 1 2 293.802 2.322 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)C1CC1 ZINC000840040412 631664706 /nfs/dbraw/zinc/66/47/06/631664706.db2.gz CVLCMIPDRPHVNC-OAHLLOKOSA-N 1 2 290.407 2.012 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)C1CC1 ZINC000840040412 631664713 /nfs/dbraw/zinc/66/47/13/631664713.db2.gz CVLCMIPDRPHVNC-OAHLLOKOSA-N 1 2 290.407 2.012 20 30 CEEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000840043211 631668492 /nfs/dbraw/zinc/66/84/92/631668492.db2.gz RPPPJYNNHKPCQR-LSDHHAIUSA-N 1 2 287.407 2.217 20 30 CEEDLO C=CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccncc1 ZINC000806864399 631783146 /nfs/dbraw/zinc/78/31/46/631783146.db2.gz CIACHMCYZRTPRH-CYBMUJFWSA-N 1 2 270.336 2.171 20 30 CEEDLO Nc1ccc(C=[NH+]Nc2ccnc(Br)c2)cn1 ZINC000807986045 631898105 /nfs/dbraw/zinc/89/81/05/631898105.db2.gz QAMROTMLAWYXQH-UHFFFAOYSA-N 1 2 292.140 2.267 20 30 CEEDLO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898191516 632106248 /nfs/dbraw/zinc/10/62/48/632106248.db2.gz CUTNISUUXBFFDL-JKSUJKDBSA-N 1 2 292.354 2.274 20 30 CEEDLO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898191516 632106253 /nfs/dbraw/zinc/10/62/53/632106253.db2.gz CUTNISUUXBFFDL-JKSUJKDBSA-N 1 2 292.354 2.274 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1OC ZINC000898195097 632109246 /nfs/dbraw/zinc/10/92/46/632109246.db2.gz UMGJKCIUIQWKLP-KGLIPLIRSA-N 1 2 295.354 2.165 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1OC ZINC000898195097 632109250 /nfs/dbraw/zinc/10/92/50/632109250.db2.gz UMGJKCIUIQWKLP-KGLIPLIRSA-N 1 2 295.354 2.165 20 30 CEEDLO N#C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000810602347 632236566 /nfs/dbraw/zinc/23/65/66/632236566.db2.gz PAUBVBQJDQPFDL-MRXNPFEDSA-N 1 2 295.342 2.319 20 30 CEEDLO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1C#N ZINC000926962781 632389917 /nfs/dbraw/zinc/38/99/17/632389917.db2.gz MUAZXHVMXLDQKD-RISCZKNCSA-N 1 2 267.336 2.254 20 30 CEEDLO CC[C@@H]([NH2+]Cc1nncn1CC)c1cccc(C#N)c1O ZINC000924685027 632419077 /nfs/dbraw/zinc/41/90/77/632419077.db2.gz NLHDFSAYVUFDOK-CYBMUJFWSA-N 1 2 285.351 2.116 20 30 CEEDLO CCC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000927022426 632419763 /nfs/dbraw/zinc/41/97/63/632419763.db2.gz RIDQQEGTYOIBPQ-AAEUAGOBSA-N 1 2 262.353 2.466 20 30 CEEDLO Cn1c(Cl)cnc1CNc1cc(CC#N)cc[nH+]1 ZINC000811835793 632452379 /nfs/dbraw/zinc/45/23/79/632452379.db2.gz OMMLGBDFFQMIPH-UHFFFAOYSA-N 1 2 261.716 2.147 20 30 CEEDLO CC(C)(CNC(=O)c1cccc(CC#N)c1)n1cc[nH+]c1 ZINC000898902265 632638632 /nfs/dbraw/zinc/63/86/32/632638632.db2.gz UKNCIDHQGFOUOS-UHFFFAOYSA-N 1 2 282.347 2.114 20 30 CEEDLO C=CCC1(C(=O)NCC(C)(C)n2cc[nH+]c2)CCOCC1 ZINC000898910580 632643345 /nfs/dbraw/zinc/64/33/45/632643345.db2.gz UDAWWMYEBOJXMB-UHFFFAOYSA-N 1 2 291.395 2.107 20 30 CEEDLO S=C(N[NH+]=C1CC[C@H]2CNc3cccc1c32)NC1CC1 ZINC000814734596 632889479 /nfs/dbraw/zinc/88/94/79/632889479.db2.gz NYNIZAMTGCXSNR-VIFPVBQESA-N 1 2 286.404 2.320 20 30 CEEDLO Cn1ncc(C=[NH+]Nc2ccc(C(F)(F)F)cc2)c1N ZINC000814882632 632913557 /nfs/dbraw/zinc/91/35/57/632913557.db2.gz TVHINWSWCBHCJU-UHFFFAOYSA-N 1 2 283.257 2.467 20 30 CEEDLO CC(=[NH+]NCCc1ccncc1)c1cc(F)c(N)c(F)c1 ZINC000814924590 632929678 /nfs/dbraw/zinc/92/96/78/632929678.db2.gz UBGDUROBRBIBOS-UHFFFAOYSA-N 1 2 290.317 2.498 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H](C)N1CC#N ZINC000878772016 651182936 /nfs/dbraw/zinc/18/29/36/651182936.db2.gz CJYLVAUTTQOMHU-RYUDHWBXSA-N 1 2 274.393 2.038 20 30 CEEDLO C=CCC(F)(F)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000815716189 633052704 /nfs/dbraw/zinc/05/27/04/633052704.db2.gz LMDZOMADYIBLAL-UHFFFAOYSA-N 1 2 296.308 2.386 20 30 CEEDLO C=CCC(F)(F)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000815716189 633052711 /nfs/dbraw/zinc/05/27/11/633052711.db2.gz LMDZOMADYIBLAL-UHFFFAOYSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C1C[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000899900764 633084302 /nfs/dbraw/zinc/08/43/02/633084302.db2.gz UTMBKZAAMSNRRD-GFCCVEGCSA-N 1 2 271.282 2.481 20 30 CEEDLO C=CCC(F)(F)C(=O)OCCCc1[nH+]ccn1C ZINC000816033379 633105849 /nfs/dbraw/zinc/10/58/49/633105849.db2.gz KMCMFCMIOTWBQX-UHFFFAOYSA-N 1 2 258.268 2.107 20 30 CEEDLO C#CC[N@@H+](Cc1cnn(C)c1Cl)C1CCCC1 ZINC000816517475 633406699 /nfs/dbraw/zinc/40/66/99/633406699.db2.gz QYBUXFQVWCAEAO-UHFFFAOYSA-N 1 2 251.761 2.451 20 30 CEEDLO C#CC[N@H+](Cc1cnn(C)c1Cl)C1CCCC1 ZINC000816517475 633406704 /nfs/dbraw/zinc/40/67/04/633406704.db2.gz 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/nfs/dbraw/zinc/04/81/84/634048184.db2.gz RAZWUWMQTBBMIP-NEPJUHHUSA-N 1 2 262.357 2.196 20 30 CEEDLO CCOCc1nc(Cl)cc(N=NCc2[nH]c[nH+]c2C)n1 ZINC000901313733 634058510 /nfs/dbraw/zinc/05/85/10/634058510.db2.gz SVKKFFCUILDOQO-UHFFFAOYSA-N 1 2 294.746 2.144 20 30 CEEDLO Cc1c(C(=O)/C=C/c2c[nH+]cn2C)cnn1C(C)C ZINC000901495442 634144446 /nfs/dbraw/zinc/14/44/46/634144446.db2.gz HABOKFJDCAOYAJ-AATRIKPKSA-N 1 2 258.325 2.402 20 30 CEEDLO CC(C)n1c[nH+]cc1CN=Nc1ncccc1[N+](=O)[O-] ZINC000819809548 634268989 /nfs/dbraw/zinc/26/89/89/634268989.db2.gz UOURZGSYQQTVQZ-UHFFFAOYSA-N 1 2 274.284 2.213 20 30 CEEDLO C[C@H]1CC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)=NO1 ZINC000819916468 634280283 /nfs/dbraw/zinc/28/02/83/634280283.db2.gz XIPQBFLUGPDOQR-WCQYABFASA-N 1 2 298.346 2.170 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823255486 635114502 /nfs/dbraw/zinc/11/45/02/635114502.db2.gz YIPHJZRWESRQKV-ZYHUDNBSSA-N 1 2 287.285 2.295 20 30 CEEDLO C#CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 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C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000877917005 650946666 /nfs/dbraw/zinc/94/66/66/650946666.db2.gz NAWWIECWCILSQD-CQSZACIVSA-N 1 2 258.321 2.108 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000757641893 644829609 /nfs/dbraw/zinc/82/96/09/644829609.db2.gz ILAMZTLMEAJAGM-SNVBAGLBSA-N 1 2 270.174 2.118 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000757641893 644829612 /nfs/dbraw/zinc/82/96/12/644829612.db2.gz ILAMZTLMEAJAGM-SNVBAGLBSA-N 1 2 270.174 2.118 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000877955615 650957511 /nfs/dbraw/zinc/95/75/11/650957511.db2.gz MRVZHJQXVIVIPG-ZDUSSCGKSA-N 1 2 291.347 2.355 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000877955615 650957512 /nfs/dbraw/zinc/95/75/12/650957512.db2.gz MRVZHJQXVIVIPG-ZDUSSCGKSA-N 1 2 291.347 2.355 20 30 CEEDLO C#CCCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000758608621 644944400 /nfs/dbraw/zinc/94/44/00/644944400.db2.gz XRLPLFRRBUYERK-UHFFFAOYSA-N 1 2 256.309 2.259 20 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/nfs/dbraw/zinc/65/13/02/645651302.db2.gz BUULTOPCKJMIIK-OAHLLOKOSA-N 1 2 278.327 2.149 20 30 CEEDLO CC#CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000764579095 645659253 /nfs/dbraw/zinc/65/92/53/645659253.db2.gz UQPQHHYNVRNYDA-UHFFFAOYSA-N 1 2 285.391 2.170 20 30 CEEDLO C#CCC(C)(C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767648944 646018414 /nfs/dbraw/zinc/01/84/14/646018414.db2.gz FRXDCSCHKJZFFU-UHFFFAOYSA-N 1 2 260.337 2.240 20 30 CEEDLO CC#CCCCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000768196915 646094970 /nfs/dbraw/zinc/09/49/70/646094970.db2.gz VITNKNDRNMXMNW-UHFFFAOYSA-N 1 2 286.366 2.368 20 30 CEEDLO CC#CCCCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000768196915 646094974 /nfs/dbraw/zinc/09/49/74/646094974.db2.gz VITNKNDRNMXMNW-UHFFFAOYSA-N 1 2 286.366 2.368 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000769960919 646340782 /nfs/dbraw/zinc/34/07/82/646340782.db2.gz DMAUDSXGGYRJLK-CQSZACIVSA-N 1 2 285.391 2.179 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000769960919 646340787 /nfs/dbraw/zinc/34/07/87/646340787.db2.gz DMAUDSXGGYRJLK-CQSZACIVSA-N 1 2 285.391 2.179 20 30 CEEDLO C#C[C@@H](C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000773596559 646761669 /nfs/dbraw/zinc/76/16/69/646761669.db2.gz DLOAVACEMIPVGC-HIFRSBDPSA-N 1 2 296.374 2.025 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000775795844 646994026 /nfs/dbraw/zinc/99/40/26/646994026.db2.gz PTVGBLNLUXQUFV-KGLIPLIRSA-N 1 2 299.399 2.476 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)o1 ZINC000776221570 647038116 /nfs/dbraw/zinc/03/81/16/647038116.db2.gz XTVDGWACMRXVJL-UHFFFAOYSA-N 1 2 288.278 2.367 20 30 CEEDLO Cn1cc(C[NH2+]Cc2ccon2)c(-c2ccc(C#N)cc2)n1 ZINC000778096823 647199956 /nfs/dbraw/zinc/19/99/56/647199956.db2.gz RYRDTJXUOPZHAS-UHFFFAOYSA-N 1 2 293.330 2.237 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000780170410 647395529 /nfs/dbraw/zinc/39/55/29/647395529.db2.gz UDIAPUSNUWQKNW-GFCCVEGCSA-N 1 2 284.319 2.203 20 30 CEEDLO CC[N@H+](C)[C@@H](C(=O)OC[C@H](C)C#N)c1ccccc1 ZINC000780446328 647428850 /nfs/dbraw/zinc/42/88/50/647428850.db2.gz DKRBOZQMEPKHHI-TZMCWYRMSA-N 1 2 260.337 2.382 20 30 CEEDLO CC[N@@H+](C)[C@@H](C(=O)OC[C@H](C)C#N)c1ccccc1 ZINC000780446328 647428852 /nfs/dbraw/zinc/42/88/52/647428852.db2.gz DKRBOZQMEPKHHI-TZMCWYRMSA-N 1 2 260.337 2.382 20 30 CEEDLO Cn1c[nH+]c(CCNc2cc(C(F)(F)F)cc(C#N)n2)c1 ZINC000865867404 647511834 /nfs/dbraw/zinc/51/18/34/647511834.db2.gz AGTXHKWAHBFNKC-UHFFFAOYSA-N 1 2 295.268 2.360 20 30 CEEDLO Nc1ncc(C=[NH+]Nc2cccc3cnccc32)cn1 ZINC000781592655 647542132 /nfs/dbraw/zinc/54/21/32/647542132.db2.gz GKFADHGIEFDZKO-UHFFFAOYSA-N 1 2 264.292 2.053 20 30 CEEDLO C[C@H](CNC(=O)c1sccc1CC#N)Cn1cc[nH+]c1 ZINC000866001972 647568449 /nfs/dbraw/zinc/56/84/49/647568449.db2.gz KYKDWHZWIKLYIY-LLVKDONJSA-N 1 2 288.376 2.077 20 30 CEEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781989104 647577734 /nfs/dbraw/zinc/57/77/34/647577734.db2.gz REWLIFGFHLDXLX-CYBMUJFWSA-N 1 2 266.385 2.197 20 30 CEEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781989104 647577737 /nfs/dbraw/zinc/57/77/37/647577737.db2.gz REWLIFGFHLDXLX-CYBMUJFWSA-N 1 2 266.385 2.197 20 30 CEEDLO OC[C@@]12C[C@@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000782626630 647646248 /nfs/dbraw/zinc/64/62/48/647646248.db2.gz OBJUPWPDFKKKGT-HIFRSBDPSA-N 1 2 261.752 2.006 20 30 CEEDLO OC[C@@]12C[C@@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000782626630 647646249 /nfs/dbraw/zinc/64/62/49/647646249.db2.gz OBJUPWPDFKKKGT-HIFRSBDPSA-N 1 2 261.752 2.006 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(C#N)c1O ZINC000866228141 647681772 /nfs/dbraw/zinc/68/17/72/647681772.db2.gz GEFXAXXEABQVFH-NWDGAFQWSA-N 1 2 270.336 2.200 20 30 CEEDLO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000866264998 647703865 /nfs/dbraw/zinc/70/38/65/647703865.db2.gz WHWZRSIUIQFROK-BMIGLBTASA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(C#N)c1O ZINC000866285812 647717350 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C=CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC000786985554 648063736 /nfs/dbraw/zinc/06/37/36/648063736.db2.gz WXDBBOCUQFXNJW-GJZGRUSLSA-N 1 2 296.374 2.274 20 30 CEEDLO Nc1ccc(CCC(=O)OCC#Cc2ccccc2)c[nH+]1 ZINC000791424117 648522139 /nfs/dbraw/zinc/52/21/39/648522139.db2.gz MEEMQNIIUPOWAG-UHFFFAOYSA-N 1 2 280.327 2.191 20 30 CEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NNc1cccc(Cl)[nH+]1 ZINC000793181534 648719664 /nfs/dbraw/zinc/71/96/64/648719664.db2.gz UDKKBTNWZIYROO-UHFFFAOYSA-N 1 2 293.714 2.081 20 30 CEEDLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000871722839 649157279 /nfs/dbraw/zinc/15/72/79/649157279.db2.gz SCZOBNNZQISCKT-ONGXEEELSA-N 1 2 268.744 2.402 20 30 CEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccnn1C ZINC000873151882 649571192 /nfs/dbraw/zinc/57/11/92/649571192.db2.gz CEYLZHIULHCHAW-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO C[C@@H](CC(=O)OCc1ccc(C#N)o1)n1cc[nH+]c1 ZINC000873403115 649669283 /nfs/dbraw/zinc/66/92/83/649669283.db2.gz CKMYVQZQZBCZOH-JTQLQIEISA-N 1 2 259.265 2.042 20 30 CEEDLO C#CCCCCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000878526515 651120989 /nfs/dbraw/zinc/12/09/89/651120989.db2.gz LBWVGWOXMKTJMU-UHFFFAOYSA-N 1 2 270.327 2.169 20 30 CEEDLO C#CCCCCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000878526515 651120991 /nfs/dbraw/zinc/12/09/91/651120991.db2.gz LBWVGWOXMKTJMU-UHFFFAOYSA-N 1 2 270.327 2.169 20 30 CEEDLO CN(C)c1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)ccn1 ZINC000879311823 651282023 /nfs/dbraw/zinc/28/20/23/651282023.db2.gz WMSYYIDQJZUIHX-KGLIPLIRSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ccn1 ZINC000879311823 651282024 /nfs/dbraw/zinc/28/20/24/651282024.db2.gz WMSYYIDQJZUIHX-KGLIPLIRSA-N 1 2 258.369 2.272 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879631685 651333700 /nfs/dbraw/zinc/33/37/00/651333700.db2.gz VAZQVZVGJOGOIT-GOEBONIOSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879631685 651333701 /nfs/dbraw/zinc/33/37/01/651333701.db2.gz VAZQVZVGJOGOIT-GOEBONIOSA-N 1 2 277.364 2.006 20 30 CEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](CF)C2)c(C#N)c1C ZINC000880296555 651418341 /nfs/dbraw/zinc/41/83/41/651418341.db2.gz CYNUWERQCTYAJS-LLVKDONJSA-N 1 2 295.383 2.467 20 30 CEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](CF)C2)c(C#N)c1C ZINC000880296555 651418343 /nfs/dbraw/zinc/41/83/43/651418343.db2.gz CYNUWERQCTYAJS-LLVKDONJSA-N 1 2 295.383 2.467 20 30 CEEDLO C#CC[C@@H]1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000884594464 652934506 /nfs/dbraw/zinc/93/45/06/652934506.db2.gz JMQBWWXANAUBCT-GFCCVEGCSA-N 1 2 283.379 2.431 20 30 CEEDLO C=CC[NH+]1CCN(c2cc(Cl)ncc2F)CC1 ZINC001165031816 721866552 /nfs/dbraw/zinc/86/65/52/721866552.db2.gz WSJUQRKASJZUFW-UHFFFAOYSA-N 1 2 255.724 2.182 20 30 CEEDLO C=C(C)C(=O)OCCNc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001168070968 806049960 /nfs/dbraw/zinc/04/99/60/806049960.db2.gz UXBHBYHFJAOPAK-UHFFFAOYSA-N 1 2 289.257 2.214 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@H]1C ZINC001088445416 806227614 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CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001266335636 802453532 /nfs/dbraw/zinc/45/35/32/802453532.db2.gz BIHRVYJFXKJFSQ-ZDUSSCGKSA-N 1 2 291.420 2.027 20 30 CEEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001266335636 802453536 /nfs/dbraw/zinc/45/35/36/802453536.db2.gz BIHRVYJFXKJFSQ-ZDUSSCGKSA-N 1 2 291.420 2.027 20 30 CEEDLO C=C(Cl)C[N@@H+](CCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001266592755 802751960 /nfs/dbraw/zinc/75/19/60/802751960.db2.gz ZMORBCNCXLZIMY-UHFFFAOYSA-N 1 2 282.815 2.369 20 30 CEEDLO C=C(Cl)C[N@H+](CCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001266592755 802751963 /nfs/dbraw/zinc/75/19/63/802751963.db2.gz ZMORBCNCXLZIMY-UHFFFAOYSA-N 1 2 282.815 2.369 20 30 CEEDLO CC#Cc1cncc([NH+]=C(NO)c2ccccc2N)c1 ZINC001211062151 802770412 /nfs/dbraw/zinc/77/04/12/802770412.db2.gz OJQIMMCNLZPUEC-UHFFFAOYSA-N 1 2 266.304 2.092 20 30 CEEDLO C#Cc1cc(Nc2c(SC)ccnc2OC)cc[nH+]1 ZINC001215926853 802891286 /nfs/dbraw/zinc/89/12/86/802891286.db2.gz NDMLQRXDWDPDHK-UHFFFAOYSA-N 1 2 271.345 2.354 20 30 CEEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)C(C)(C)C#N ZINC001143398976 802928226 /nfs/dbraw/zinc/92/82/26/802928226.db2.gz GBAUGUKIXICDGZ-UHFFFAOYSA-N 1 2 282.347 2.380 20 30 CEEDLO C=CCCCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098570285 803207064 /nfs/dbraw/zinc/20/70/64/803207064.db2.gz HOAGDTAMPNMBTD-CQSZACIVSA-N 1 2 288.395 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)COCCCC ZINC001267263432 803306710 /nfs/dbraw/zinc/30/67/10/803306710.db2.gz JROAZRUMKYTLKU-CYBMUJFWSA-N 1 2 288.819 2.136 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)COCCCC ZINC001267263432 803306716 /nfs/dbraw/zinc/30/67/16/803306716.db2.gz JROAZRUMKYTLKU-CYBMUJFWSA-N 1 2 288.819 2.136 20 30 CEEDLO C=CCCC(=O)N(C)CC[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001267352887 803402346 /nfs/dbraw/zinc/40/23/46/803402346.db2.gz CCZHCNILZLEGAW-GFCCVEGCSA-N 1 2 294.399 2.268 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038315086 803529930 /nfs/dbraw/zinc/52/99/30/803529930.db2.gz FTLLGTFDKCEJKU-KRWDZBQOSA-N 1 2 282.387 2.391 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038315086 803529935 /nfs/dbraw/zinc/52/99/35/803529935.db2.gz FTLLGTFDKCEJKU-KRWDZBQOSA-N 1 2 282.387 2.391 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001093509610 814945544 /nfs/dbraw/zinc/94/55/44/814945544.db2.gz RBVNKUVPWKIMBO-AWEZNQCLSA-N 1 2 294.439 2.300 20 30 CEEDLO Fc1c(F)c(F)c(O[C@@H]2C[NH2+]CC2(F)F)c(F)c1F ZINC001218231641 803561841 /nfs/dbraw/zinc/56/18/41/803561841.db2.gz LPLNCZYUELEYJY-GSVOUGTGSA-N 1 2 289.150 2.368 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCCCC2 ZINC001038374264 803838921 /nfs/dbraw/zinc/83/89/21/803838921.db2.gz OAOJQFICJNGGJA-MRXNPFEDSA-N 1 2 296.414 2.393 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCCCC2 ZINC001038374264 803838929 /nfs/dbraw/zinc/83/89/29/803838929.db2.gz OAOJQFICJNGGJA-MRXNPFEDSA-N 1 2 296.414 2.393 20 30 CEEDLO Cc1nsc(NCc2nc(C[NH+](C)C)cs2)c1C#N ZINC000722386296 804411563 /nfs/dbraw/zinc/41/15/63/804411563.db2.gz SJXXEQWQRYUUHA-UHFFFAOYSA-N 1 2 293.421 2.453 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001028163671 804507026 /nfs/dbraw/zinc/50/70/26/804507026.db2.gz XOADGORJESOCKU-NEPJUHHUSA-N 1 2 268.788 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001028163671 804507029 /nfs/dbraw/zinc/50/70/29/804507029.db2.gz XOADGORJESOCKU-NEPJUHHUSA-N 1 2 268.788 2.120 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001269269355 805106027 /nfs/dbraw/zinc/10/60/27/805106027.db2.gz YVBPBSNVBVSVFK-ZFWWWQNUSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001269269355 805106030 /nfs/dbraw/zinc/10/60/30/805106030.db2.gz YVBPBSNVBVSVFK-ZFWWWQNUSA-N 1 2 291.395 2.310 20 30 CEEDLO C=CC(C)(C)C(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001094060990 815055350 /nfs/dbraw/zinc/05/53/50/815055350.db2.gz XBFBOQAKYVNMLM-UHFFFAOYSA-N 1 2 288.395 2.403 20 30 CEEDLO C=CCOC(=O)[C@@H](N/C(C)=C/C=C/[NH3+])[C@@H](C)CC 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C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001031351134 807925804 /nfs/dbraw/zinc/92/58/04/807925804.db2.gz ZHXRRKRNQWQTGM-UHFFFAOYSA-N 1 2 288.391 2.004 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001031365295 807934973 /nfs/dbraw/zinc/93/49/73/807934973.db2.gz WHHYFGUMFBPTKJ-UHFFFAOYSA-N 1 2 280.371 2.369 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001031410493 807950105 /nfs/dbraw/zinc/95/01/05/807950105.db2.gz HCHVHQGSMZKQMJ-LLVKDONJSA-N 1 2 294.345 2.445 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001031414900 807950848 /nfs/dbraw/zinc/95/08/48/807950848.db2.gz RYHMAWOMULCRSU-NSHDSACASA-N 1 2 294.345 2.445 20 30 CEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)C2CC=CC2)C1 ZINC001031590113 808012952 /nfs/dbraw/zinc/01/29/52/808012952.db2.gz VUAMXTRMFJMHKO-UHFFFAOYSA-N 1 2 295.386 2.072 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001031717914 808081065 /nfs/dbraw/zinc/08/10/65/808081065.db2.gz NULHJXSBJZVHHC-NSHDSACASA-N 1 2 292.757 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001031766489 808127074 /nfs/dbraw/zinc/12/70/74/808127074.db2.gz JUSHFMFHSCUEBT-ZDUSSCGKSA-N 1 2 282.815 2.367 20 30 CEEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001272707994 808227516 /nfs/dbraw/zinc/22/75/16/808227516.db2.gz ZJBBFJJHMQGDHS-HUUCEWRRSA-N 1 2 286.366 2.327 20 30 CEEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001272707994 808227519 /nfs/dbraw/zinc/22/75/19/808227519.db2.gz ZJBBFJJHMQGDHS-HUUCEWRRSA-N 1 2 286.366 2.327 20 30 CEEDLO O=C(CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032245195 808359450 /nfs/dbraw/zinc/35/94/50/808359450.db2.gz XQKSYRDECSPMNX-ROUUACIJSA-N 1 2 294.398 2.123 20 30 CEEDLO O=C(CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032245195 808359460 /nfs/dbraw/zinc/35/94/60/808359460.db2.gz XQKSYRDECSPMNX-ROUUACIJSA-N 1 2 294.398 2.123 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107462271 808445520 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C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1F ZINC001032599672 808722557 /nfs/dbraw/zinc/72/25/57/808722557.db2.gz JBJAPIDRQKXDGM-QWRGUYRKSA-N 1 2 292.741 2.011 20 30 CEEDLO C=CCO[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC001116556985 808838096 /nfs/dbraw/zinc/83/80/96/808838096.db2.gz WDLFKJVJFFZLCY-MRXNPFEDSA-N 1 2 284.363 2.044 20 30 CEEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC001116556985 808838103 /nfs/dbraw/zinc/83/81/03/808838103.db2.gz WDLFKJVJFFZLCY-MRXNPFEDSA-N 1 2 284.363 2.044 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2C=CCCC2)C1 ZINC001108020381 808842436 /nfs/dbraw/zinc/84/24/36/808842436.db2.gz NHHCWIABYDRBSO-DOTOQJQBSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2C=CCCC2)C1 ZINC001108020381 808842441 /nfs/dbraw/zinc/84/24/41/808842441.db2.gz NHHCWIABYDRBSO-DOTOQJQBSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001060957419 808878568 /nfs/dbraw/zinc/87/85/68/808878568.db2.gz NDXDERJRSLMHDG-ZDUSSCGKSA-N 1 2 288.395 2.258 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001032793611 808880021 /nfs/dbraw/zinc/88/00/21/808880021.db2.gz HIENQQBBTVSMEU-ZOBUZTSGSA-N 1 2 272.392 2.041 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001032793611 808880027 /nfs/dbraw/zinc/88/00/27/808880027.db2.gz HIENQQBBTVSMEU-ZOBUZTSGSA-N 1 2 272.392 2.041 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001033006907 809142749 /nfs/dbraw/zinc/14/27/49/809142749.db2.gz AFGAKMIJCGAWJI-KBPBESRZSA-N 1 2 295.814 2.334 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001033006907 809142752 /nfs/dbraw/zinc/14/27/52/809142752.db2.gz AFGAKMIJCGAWJI-KBPBESRZSA-N 1 2 295.814 2.334 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033013107 809143777 /nfs/dbraw/zinc/14/37/77/809143777.db2.gz BPXFXBKDGDOJRX-RYUDHWBXSA-N 1 2 270.804 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033013107 809143778 /nfs/dbraw/zinc/14/37/78/809143778.db2.gz BPXFXBKDGDOJRX-RYUDHWBXSA-N 1 2 270.804 2.318 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001108139681 809660504 /nfs/dbraw/zinc/66/05/04/809660504.db2.gz DICUFDGYXQOPLX-INIZCTEOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001108139681 809660507 /nfs/dbraw/zinc/66/05/07/809660507.db2.gz DICUFDGYXQOPLX-INIZCTEOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001035380390 809782530 /nfs/dbraw/zinc/78/25/30/809782530.db2.gz AUTXABZQUHNRTB-JKSUJKDBSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001035380390 809782533 /nfs/dbraw/zinc/78/25/33/809782533.db2.gz AUTXABZQUHNRTB-JKSUJKDBSA-N 1 2 292.423 2.126 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001035496040 809788331 /nfs/dbraw/zinc/78/83/31/809788331.db2.gz KEPZVVRFORHAJQ-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001035496040 809788334 /nfs/dbraw/zinc/78/83/34/809788334.db2.gz KEPZVVRFORHAJQ-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C#N)cc(C)n3)ccn12 ZINC001129269384 810035791 /nfs/dbraw/zinc/03/57/91/810035791.db2.gz NTURRNWXNAZAFF-UHFFFAOYSA-N 1 2 291.314 2.470 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001079389672 810206308 /nfs/dbraw/zinc/20/63/08/810206308.db2.gz XUWWMUABFVUUFS-BXKDBHETSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001079389672 810206312 /nfs/dbraw/zinc/20/63/12/810206312.db2.gz XUWWMUABFVUUFS-BXKDBHETSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001079584672 810222087 /nfs/dbraw/zinc/22/20/87/810222087.db2.gz BYDBFHHRNIUOOD-YUSALJHKSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001079584672 810222088 /nfs/dbraw/zinc/22/20/88/810222088.db2.gz BYDBFHHRNIUOOD-YUSALJHKSA-N 1 2 270.804 2.222 20 30 CEEDLO C=CCO[C@@H]1CCN(c2cc(NCCC)[nH+]cn2)C1 ZINC001118926670 810386848 /nfs/dbraw/zinc/38/68/48/810386848.db2.gz UIDNKDMQLIOIOG-GFCCVEGCSA-N 1 2 262.357 2.080 20 30 CEEDLO C=CCO[C@@H]1CCN(c2cc(NCCC)nc[nH+]2)C1 ZINC001118926670 810386852 /nfs/dbraw/zinc/38/68/52/810386852.db2.gz UIDNKDMQLIOIOG-GFCCVEGCSA-N 1 2 262.357 2.080 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172289869 815382007 /nfs/dbraw/zinc/38/20/07/815382007.db2.gz JEHSGLAELFEGRU-OLZOCXBDSA-N 1 2 274.364 2.419 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001017578695 810534038 /nfs/dbraw/zinc/53/40/38/810534038.db2.gz UISRSBYKMVTVRS-YESZJQIVSA-N 1 2 286.419 2.431 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001017578695 810534042 /nfs/dbraw/zinc/53/40/42/810534042.db2.gz UISRSBYKMVTVRS-YESZJQIVSA-N 1 2 286.419 2.431 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CC=CCC1 ZINC001017578737 810534799 /nfs/dbraw/zinc/53/47/99/810534799.db2.gz VQHBYUCLOBQLHC-UXLLHSPISA-N 1 2 272.392 2.041 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CC=CCC1 ZINC001017578737 810534806 /nfs/dbraw/zinc/53/48/06/810534806.db2.gz VQHBYUCLOBQLHC-UXLLHSPISA-N 1 2 272.392 2.041 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCC1(F)F ZINC001017765760 810551134 /nfs/dbraw/zinc/55/11/34/810551134.db2.gz LHNYMQICVCMLTP-MJBXVCDLSA-N 1 2 296.361 2.120 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCC1(F)F ZINC001017765760 810551140 /nfs/dbraw/zinc/55/11/40/810551140.db2.gz LHNYMQICVCMLTP-MJBXVCDLSA-N 1 2 296.361 2.120 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CCC ZINC001018174408 810592622 /nfs/dbraw/zinc/59/26/22/810592622.db2.gz COFFNAKYGFLXQX-OKILXGFUSA-N 1 2 286.375 2.154 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CCC ZINC001018174408 810592624 /nfs/dbraw/zinc/59/26/24/810592624.db2.gz COFFNAKYGFLXQX-OKILXGFUSA-N 1 2 286.375 2.154 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018190946 810593408 /nfs/dbraw/zinc/59/34/08/810593408.db2.gz QTUFTTOATHLQED-OIISXLGYSA-N 1 2 282.387 2.099 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018190946 810593410 /nfs/dbraw/zinc/59/34/10/810593410.db2.gz QTUFTTOATHLQED-OIISXLGYSA-N 1 2 282.387 2.099 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001018220654 810596950 /nfs/dbraw/zinc/59/69/50/810596950.db2.gz XDZMGSCGGIYLJD-BETUJISGSA-N 1 2 298.377 2.366 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001018220654 810596955 /nfs/dbraw/zinc/59/69/55/810596955.db2.gz XDZMGSCGGIYLJD-BETUJISGSA-N 1 2 298.377 2.366 20 30 CEEDLO CC1(C)C[C@H]([NH+]2CC(Oc3ccccc3C#N)C2)CO1 ZINC001172295318 815386704 /nfs/dbraw/zinc/38/67/04/815386704.db2.gz RSXYGFDPMSTRRK-ZDUSSCGKSA-N 1 2 272.348 2.189 20 30 CEEDLO Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)n(C)n1 ZINC001240860242 810800562 /nfs/dbraw/zinc/80/05/62/810800562.db2.gz ZCRDQKAWXGPDQM-LICLKQGHSA-N 1 2 267.336 2.489 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc2cc(F)ccc12 ZINC001038436029 810838994 /nfs/dbraw/zinc/83/89/94/810838994.db2.gz PBPDYLAXCWOGOR-LBPRGKRZSA-N 1 2 286.306 2.009 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2cc(F)ccc12 ZINC001038436029 810839001 /nfs/dbraw/zinc/83/90/01/810839001.db2.gz PBPDYLAXCWOGOR-LBPRGKRZSA-N 1 2 286.306 2.009 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001038586525 810867561 /nfs/dbraw/zinc/86/75/61/810867561.db2.gz QLBGIOYSRYTVGB-CQSZACIVSA-N 1 2 295.386 2.222 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001038586525 810867569 /nfs/dbraw/zinc/86/75/69/810867569.db2.gz QLBGIOYSRYTVGB-CQSZACIVSA-N 1 2 295.386 2.222 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085677312 810875172 /nfs/dbraw/zinc/87/51/72/810875172.db2.gz JRENAKPXLXSQCB-ZDUSSCGKSA-N 1 2 274.364 2.012 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085677312 810875177 /nfs/dbraw/zinc/87/51/77/810875177.db2.gz JRENAKPXLXSQCB-ZDUSSCGKSA-N 1 2 274.364 2.012 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1F ZINC001085707180 810882872 /nfs/dbraw/zinc/88/28/72/810882872.db2.gz FTWYEKGOSPABIM-GFCCVEGCSA-N 1 2 294.757 2.259 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1F ZINC001085707180 810882879 /nfs/dbraw/zinc/88/28/79/810882879.db2.gz FTWYEKGOSPABIM-GFCCVEGCSA-N 1 2 294.757 2.259 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1CC ZINC001038708279 810896882 /nfs/dbraw/zinc/89/68/82/810896882.db2.gz NUHZUMHRSPJBJU-CQSZACIVSA-N 1 2 299.418 2.205 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1CC ZINC001038708279 810896889 /nfs/dbraw/zinc/89/68/89/810896889.db2.gz NUHZUMHRSPJBJU-CQSZACIVSA-N 1 2 299.418 2.205 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038731230 810900825 /nfs/dbraw/zinc/90/08/25/810900825.db2.gz MWJCGVBUWULAME-CYBMUJFWSA-N 1 2 290.794 2.476 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038731230 810900829 /nfs/dbraw/zinc/90/08/29/810900829.db2.gz MWJCGVBUWULAME-CYBMUJFWSA-N 1 2 290.794 2.476 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001038791865 810916121 /nfs/dbraw/zinc/91/61/21/810916121.db2.gz RBPUNCKEFCOVNH-SWKXRBFHSA-N 1 2 288.435 2.417 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001038791865 810916124 /nfs/dbraw/zinc/91/61/24/810916124.db2.gz RBPUNCKEFCOVNH-SWKXRBFHSA-N 1 2 288.435 2.417 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1C(F)F ZINC001038968331 810959959 /nfs/dbraw/zinc/95/99/59/810959959.db2.gz PKBRAHISPHZRMR-SECBINFHSA-N 1 2 284.331 2.123 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1C(F)F ZINC001038968331 810959968 /nfs/dbraw/zinc/95/99/68/810959968.db2.gz PKBRAHISPHZRMR-SECBINFHSA-N 1 2 284.331 2.123 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085902221 810961460 /nfs/dbraw/zinc/96/14/60/810961460.db2.gz XDVBUPDGMNZIOD-AWEZNQCLSA-N 1 2 288.391 2.491 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085902221 810961456 /nfs/dbraw/zinc/96/14/56/810961456.db2.gz XDVBUPDGMNZIOD-AWEZNQCLSA-N 1 2 288.391 2.491 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921461 810969348 /nfs/dbraw/zinc/96/93/48/810969348.db2.gz DKRJGQQNMDXSDM-AWEZNQCLSA-N 1 2 288.391 2.320 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921461 810969357 /nfs/dbraw/zinc/96/93/57/810969357.db2.gz DKRJGQQNMDXSDM-AWEZNQCLSA-N 1 2 288.391 2.320 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2[nH]ccc2s1 ZINC001085947535 810980176 /nfs/dbraw/zinc/98/01/76/810980176.db2.gz LMYYZCXVLWHUSW-NSHDSACASA-N 1 2 287.388 2.009 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2[nH]ccc2s1 ZINC001085947535 810980179 /nfs/dbraw/zinc/98/01/79/810980179.db2.gz LMYYZCXVLWHUSW-NSHDSACASA-N 1 2 287.388 2.009 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001039074516 810982719 /nfs/dbraw/zinc/98/27/19/810982719.db2.gz RVHMFZSUARFSAD-LLVKDONJSA-N 1 2 279.409 2.086 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001039074516 810982726 /nfs/dbraw/zinc/98/27/26/810982726.db2.gz RVHMFZSUARFSAD-LLVKDONJSA-N 1 2 279.409 2.086 20 30 CEEDLO COc1cc2[nH+]ccn2cc1-c1ccc(C#N)nc1 ZINC001241434492 811082878 /nfs/dbraw/zinc/08/28/78/811082878.db2.gz WGGCSXGVQSQSMX-UHFFFAOYSA-N 1 2 250.261 2.277 20 30 CEEDLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+][C@H](C)CCCC#N ZINC001172485061 815434823 /nfs/dbraw/zinc/43/48/23/815434823.db2.gz LHMXZRKGQBPAOG-UKRRQHHQSA-N 1 2 289.379 2.228 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(F)cc2)C1 ZINC001042413531 811284669 /nfs/dbraw/zinc/28/46/69/811284669.db2.gz BFXXEEJXDMIKAK-UHFFFAOYSA-N 1 2 262.328 2.158 20 30 CEEDLO N#CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168975997 811305646 /nfs/dbraw/zinc/30/56/46/811305646.db2.gz YEABTKZERLUPKU-VXGBXAGGSA-N 1 2 251.330 2.248 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc(C)c2C)C1 ZINC001042785116 811329715 /nfs/dbraw/zinc/32/97/15/811329715.db2.gz NZXNRWJAERYCDI-UHFFFAOYSA-N 1 2 276.405 2.144 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)c(F)cc2F)C1 ZINC001043044094 811344041 /nfs/dbraw/zinc/34/40/41/811344041.db2.gz MAHKQKQPWQGKRP-UHFFFAOYSA-N 1 2 292.329 2.053 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001043248614 811360569 /nfs/dbraw/zinc/36/05/69/811360569.db2.gz KFPFQYDINQJJFW-UHFFFAOYSA-N 1 2 289.423 2.457 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001043248532 811361387 /nfs/dbraw/zinc/36/13/87/811361387.db2.gz IMSXBDGPNMMHSW-UHFFFAOYSA-N 1 2 272.392 2.256 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001043650174 811391521 /nfs/dbraw/zinc/39/15/21/811391521.db2.gz SKSZZCCZLRSIOG-UHFFFAOYSA-N 1 2 274.364 2.489 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C1 ZINC001043652719 811392754 /nfs/dbraw/zinc/39/27/54/811392754.db2.gz FDHNMZPGNDIMII-MNOVXSKESA-N 1 2 290.329 2.294 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001043752942 811403150 /nfs/dbraw/zinc/40/31/50/811403150.db2.gz XVTGDCSYGZAJJL-UHFFFAOYSA-N 1 2 262.397 2.452 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCC(F)CC2)C1 ZINC001043760106 811404992 /nfs/dbraw/zinc/40/49/92/811404992.db2.gz PYBJFPDKVGBSGV-UHFFFAOYSA-N 1 2 268.376 2.233 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H](C)CCOCC(C)C)C(=O)OC ZINC001172460276 815446436 /nfs/dbraw/zinc/44/64/36/815446436.db2.gz QFUGAJCRBVDIBL-STQMWFEESA-N 1 2 257.374 2.145 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001044201152 811453622 /nfs/dbraw/zinc/45/36/22/811453622.db2.gz DWQXWRKCVHFLPM-UHFFFAOYSA-N 1 2 298.430 2.439 20 30 CEEDLO C[C@H](CCCC#N)[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001172491970 815451870 /nfs/dbraw/zinc/45/18/70/815451870.db2.gz INXSIUGDVUBPIF-SECBINFHSA-N 1 2 287.289 2.195 20 30 CEEDLO C[C@H](CCCC#N)[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001172491970 815451872 /nfs/dbraw/zinc/45/18/72/815451872.db2.gz INXSIUGDVUBPIF-SECBINFHSA-N 1 2 287.289 2.195 20 30 CEEDLO Cc1ccc(C(=NO)Nc2cc[nH+]cc2C(F)(F)F)nc1 ZINC001169408500 811500651 /nfs/dbraw/zinc/50/06/51/811500651.db2.gz PWZVUCJUJBAZKR-UHFFFAOYSA-N 1 2 296.252 2.474 20 30 CEEDLO C[C@@H](CCCC#N)[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001172500738 815455231 /nfs/dbraw/zinc/45/52/31/815455231.db2.gz OKPXKAAPHIEKJD-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H](CCCC#N)[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001172500738 815455233 /nfs/dbraw/zinc/45/52/33/815455233.db2.gz OKPXKAAPHIEKJD-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO C#C[C@](C)(CC)Nc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001169690250 811622772 /nfs/dbraw/zinc/62/27/72/811622772.db2.gz VDILTIMXDHGRIV-CQSZACIVSA-N 1 2 260.341 2.273 20 30 CEEDLO C=CCCC1(C(=O)N2CC[NH+](CC(=C)C)CC2)CC1 ZINC001113305297 812214080 /nfs/dbraw/zinc/21/40/80/812214080.db2.gz JYDHFIHFTAFYLB-UHFFFAOYSA-N 1 2 262.397 2.453 20 30 CEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097091239 812325230 /nfs/dbraw/zinc/32/52/30/812325230.db2.gz XVUNZCAWTFTCOQ-HBJVGIJOSA-N 1 2 288.395 2.302 20 30 CEEDLO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001170213864 812339576 /nfs/dbraw/zinc/33/95/76/812339576.db2.gz KMQWWUIREIIRMP-YNEHKIRRSA-N 1 2 267.394 2.218 20 30 CEEDLO CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001170213864 812339586 /nfs/dbraw/zinc/33/95/86/812339586.db2.gz KMQWWUIREIIRMP-YNEHKIRRSA-N 1 2 267.394 2.218 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113817713 812359600 /nfs/dbraw/zinc/35/96/00/812359600.db2.gz PMVHVNDUUFNXLF-LBPRGKRZSA-N 1 2 290.411 2.328 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113822667 812364237 /nfs/dbraw/zinc/36/42/37/812364237.db2.gz SFYAXBPTBPJULM-CHWSQXEVSA-N 1 2 290.411 2.328 20 30 CEEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172789712 815523462 /nfs/dbraw/zinc/52/34/62/815523462.db2.gz GDIRBIVPWDRVNR-OUCADQQQSA-N 1 2 252.358 2.390 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC1CCCC1)CO2 ZINC001053726757 812512014 /nfs/dbraw/zinc/51/20/14/812512014.db2.gz MGLWWAXBNIHZQU-HNNXBMFYSA-N 1 2 292.423 2.102 20 30 CEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1=CCCC1 ZINC001054037851 812522957 /nfs/dbraw/zinc/52/29/57/812522957.db2.gz PWIMNOXNNASACR-SFHVURJKSA-N 1 2 294.398 2.273 20 30 CEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1=CCCC1 ZINC001054037851 812522961 /nfs/dbraw/zinc/52/29/61/812522961.db2.gz PWIMNOXNNASACR-SFHVURJKSA-N 1 2 294.398 2.273 20 30 CEEDLO Cc1c(CN2CC[C@@](C)(C#N)C2)[nH+]c2ccccn12 ZINC001137275600 812564891 /nfs/dbraw/zinc/56/48/91/812564891.db2.gz CYXDSDROWWBEAZ-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C)c(C#N)cn3)ccn12 ZINC001130503945 812573604 /nfs/dbraw/zinc/57/36/04/812573604.db2.gz LLHYQZBTQVAZCS-UHFFFAOYSA-N 1 2 291.314 2.470 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCF)CC[C@@H]1C ZINC001132231559 812807569 /nfs/dbraw/zinc/80/75/69/812807569.db2.gz IFNQJJCHKPVOMG-RYUDHWBXSA-N 1 2 276.783 2.458 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCF)CC[C@@H]1C ZINC001132231559 812807579 /nfs/dbraw/zinc/80/75/79/812807579.db2.gz IFNQJJCHKPVOMG-RYUDHWBXSA-N 1 2 276.783 2.458 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001050804856 812865542 /nfs/dbraw/zinc/86/55/42/812865542.db2.gz ZCOFKJLEVLWTEJ-MRXNPFEDSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001050804856 812865554 /nfs/dbraw/zinc/86/55/54/812865554.db2.gz ZCOFKJLEVLWTEJ-MRXNPFEDSA-N 1 2 288.391 2.002 20 30 CEEDLO N#Cc1ccc(F)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC001137460903 813060483 /nfs/dbraw/zinc/06/04/83/813060483.db2.gz PETUAFLOYNJFCX-UHFFFAOYSA-N 1 2 294.289 2.275 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)CC[C@H]1C ZINC001071363901 813377146 /nfs/dbraw/zinc/37/71/46/813377146.db2.gz SNCWSAOHXHILAQ-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)CC[C@H]1C ZINC001071363901 813377152 /nfs/dbraw/zinc/37/71/52/813377152.db2.gz SNCWSAOHXHILAQ-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2C)CC[C@H]1C ZINC001071720566 813470486 /nfs/dbraw/zinc/47/04/86/813470486.db2.gz CSQPFHWUAGRNSN-ZYHUDNBSSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2C)CC[C@H]1C ZINC001071720566 813470490 /nfs/dbraw/zinc/47/04/90/813470490.db2.gz CSQPFHWUAGRNSN-ZYHUDNBSSA-N 1 2 296.802 2.053 20 30 CEEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC001136226722 813653187 /nfs/dbraw/zinc/65/31/87/813653187.db2.gz JVCOEVDQCZDDKO-HSBSLETESA-N 1 2 297.358 2.135 20 30 CEEDLO CC[C@@H](C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001136270328 813659531 /nfs/dbraw/zinc/65/95/31/813659531.db2.gz PNWBAEWAXGPIEC-NSHDSACASA-N 1 2 254.293 2.361 20 30 CEEDLO C=CCCCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001090810551 813812123 /nfs/dbraw/zinc/81/21/23/813812123.db2.gz BWAPEXLVWWARCO-TZMCWYRMSA-N 1 2 288.395 2.082 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323244 813822791 /nfs/dbraw/zinc/82/27/91/813822791.db2.gz BLMKDJAYSORPLG-HUUCEWRRSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323244 813822797 /nfs/dbraw/zinc/82/27/97/813822797.db2.gz BLMKDJAYSORPLG-HUUCEWRRSA-N 1 2 294.439 2.300 20 30 CEEDLO CN(C)C(=O)CC[N@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731147 813867780 /nfs/dbraw/zinc/86/77/80/813867780.db2.gz MJOXCENIBCRDSB-UHFFFAOYSA-N 1 2 279.771 2.122 20 30 CEEDLO CN(C)C(=O)CC[N@@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731147 813867784 /nfs/dbraw/zinc/86/77/84/813867784.db2.gz MJOXCENIBCRDSB-UHFFFAOYSA-N 1 2 279.771 2.122 20 30 CEEDLO Cc1ccc(C[N@@H+](C)Cc2cncc(C#N)c2)cn1 ZINC001144084629 813953452 /nfs/dbraw/zinc/95/34/52/813953452.db2.gz KAQNHAQPRFJGDR-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO Cc1ccc(C[N@H+](C)Cc2cncc(C#N)c2)cn1 ZINC001144084629 813953457 /nfs/dbraw/zinc/95/34/57/813953457.db2.gz KAQNHAQPRFJGDR-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO C=C(C(=O)Nc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC001144202052 813983836 /nfs/dbraw/zinc/98/38/36/813983836.db2.gz YBECVVBSYNXEKU-UHFFFAOYSA-N 1 2 255.199 2.391 20 30 CEEDLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171191587 814082920 /nfs/dbraw/zinc/08/29/20/814082920.db2.gz BRJDSSRVDKFKAO-WFASDCNBSA-N 1 2 274.364 2.421 20 30 CEEDLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171191586 814083323 /nfs/dbraw/zinc/08/33/23/814083323.db2.gz BRJDSSRVDKFKAO-SWLSCSKDSA-N 1 2 274.364 2.421 20 30 CEEDLO CCC[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171191816 814083340 /nfs/dbraw/zinc/08/33/40/814083340.db2.gz GFUVENHOQOWNTG-DOMZBBRYSA-N 1 2 274.364 2.421 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCc3onc(COC)c3C2)cc1 ZINC001144571785 814119312 /nfs/dbraw/zinc/11/93/12/814119312.db2.gz IEOLCQLORCYBAZ-UHFFFAOYSA-N 1 2 282.343 2.361 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCc3onc(COC)c3C2)cc1 ZINC001144571785 814119316 /nfs/dbraw/zinc/11/93/16/814119316.db2.gz IEOLCQLORCYBAZ-UHFFFAOYSA-N 1 2 282.343 2.361 20 30 CEEDLO C=CCCCC(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001101045870 814216372 /nfs/dbraw/zinc/21/63/72/814216372.db2.gz WGSQIDMFJKKCJG-CQSZACIVSA-N 1 2 288.395 2.084 20 30 CEEDLO C=CCCC(=O)NCCN(CCC)c1cc[nH+]c(C)n1 ZINC001101110396 814223075 /nfs/dbraw/zinc/22/30/75/814223075.db2.gz OHMJULHRDDAHFS-UHFFFAOYSA-N 1 2 276.384 2.084 20 30 CEEDLO FC(F)CON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000758900630 814244303 /nfs/dbraw/zinc/24/43/03/814244303.db2.gz YNFIKEONXQZUSC-UHFFFAOYSA-N 1 2 251.236 2.488 20 30 CEEDLO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987622 814350626 /nfs/dbraw/zinc/35/06/26/814350626.db2.gz APXOEWAVXXYOMK-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987622 814350633 /nfs/dbraw/zinc/35/06/33/814350633.db2.gz APXOEWAVXXYOMK-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987622 814350640 /nfs/dbraw/zinc/35/06/40/814350640.db2.gz APXOEWAVXXYOMK-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987622 814350645 /nfs/dbraw/zinc/35/06/45/814350645.db2.gz APXOEWAVXXYOMK-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO COc1cccc2c1C[C@@H]([N@@H+]1CC[C@](C)(C#N)C1)CO2 ZINC001173168421 815620148 /nfs/dbraw/zinc/62/01/48/815620148.db2.gz PEBORWUKLAONSE-MLGOLLRUSA-N 1 2 272.348 2.234 20 30 CEEDLO COc1cccc2c1C[C@@H]([N@H+]1CC[C@](C)(C#N)C1)CO2 ZINC001173168421 815620150 /nfs/dbraw/zinc/62/01/50/815620150.db2.gz PEBORWUKLAONSE-MLGOLLRUSA-N 1 2 272.348 2.234 20 30 CEEDLO CCn1cc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cn1 ZINC001117391814 814919476 /nfs/dbraw/zinc/91/94/76/814919476.db2.gz MOTACAMDTHNMPE-BQYQJAHWSA-N 1 2 270.336 2.260 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H]1COc2cccc(OC)c2C1 ZINC001173162148 815612291 /nfs/dbraw/zinc/61/22/91/815612291.db2.gz UBLGFXUNCHCTHT-LBPRGKRZSA-N 1 2 260.337 2.234 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H]1COc2cccc(OC)c2C1 ZINC001173162148 815612296 /nfs/dbraw/zinc/61/22/96/815612296.db2.gz UBLGFXUNCHCTHT-LBPRGKRZSA-N 1 2 260.337 2.234 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC001137744007 815674705 /nfs/dbraw/zinc/67/47/05/815674705.db2.gz JSJVWSHRNYUJCW-ZDUSSCGKSA-N 1 2 293.342 2.097 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC001137744007 815674710 /nfs/dbraw/zinc/67/47/10/815674710.db2.gz JSJVWSHRNYUJCW-ZDUSSCGKSA-N 1 2 293.342 2.097 20 30 CEEDLO N#CC1([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CCCCCC1 ZINC001173733385 815804932 /nfs/dbraw/zinc/80/49/32/815804932.db2.gz IXQBYVBNRFSVLL-KBPBESRZSA-N 1 2 288.399 2.363 20 30 CEEDLO C#CC[N@@H+](C)Cc1cccnc1NC(=O)C(C)(C)C ZINC001138546164 815825345 /nfs/dbraw/zinc/82/53/45/815825345.db2.gz FOTJBTHZYIKZMU-UHFFFAOYSA-N 1 2 259.353 2.131 20 30 CEEDLO C#CC[N@H+](C)Cc1cccnc1NC(=O)C(C)(C)C ZINC001138546164 815825353 /nfs/dbraw/zinc/82/53/53/815825353.db2.gz FOTJBTHZYIKZMU-UHFFFAOYSA-N 1 2 259.353 2.131 20 30 CEEDLO C=CCN1CC[NH+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138951213 815934580 /nfs/dbraw/zinc/93/45/80/815934580.db2.gz RNYOJJNDQHXULI-UHFFFAOYSA-N 1 2 290.798 2.472 20 30 CEEDLO C#CC[NH+]1CCN(Cc2[nH]c(CCCC)nc2Cl)CC1 ZINC001139179429 815978938 /nfs/dbraw/zinc/97/89/38/815978938.db2.gz SLIMNRRBFZMDNN-UHFFFAOYSA-N 1 2 294.830 2.157 20 30 CEEDLO COCC[NH+](CCOC)Cc1cccc(Cl)c1C#N ZINC001139690190 816085262 /nfs/dbraw/zinc/08/52/62/816085262.db2.gz SCDHNYOVZSVWQX-UHFFFAOYSA-N 1 2 282.771 2.306 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139729308 816096878 /nfs/dbraw/zinc/09/68/78/816096878.db2.gz UMKPLFYJSJJUST-VNQPRFMTSA-N 1 2 284.359 2.393 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139729308 816096885 /nfs/dbraw/zinc/09/68/85/816096885.db2.gz UMKPLFYJSJJUST-VNQPRFMTSA-N 1 2 284.359 2.393 20 30 CEEDLO Cn1cnc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347392 816169281 /nfs/dbraw/zinc/16/92/81/816169281.db2.gz LJZAYQOMNLMTFK-UHFFFAOYSA-N 1 2 268.324 2.031 20 30 CEEDLO C=CC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140344890 816239394 /nfs/dbraw/zinc/23/93/94/816239394.db2.gz NOYYGEPLJNWMOW-UHFFFAOYSA-N 1 2 266.772 2.349 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)nc2)C[C@@]1(O)C(F)(F)F ZINC001140540236 816282161 /nfs/dbraw/zinc/28/21/61/816282161.db2.gz NTXZTNUJHNCKTR-MFKMUULPSA-N 1 2 299.296 2.088 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)nc2)C[C@@]1(O)C(F)(F)F ZINC001140540236 816282165 /nfs/dbraw/zinc/28/21/65/816282165.db2.gz NTXZTNUJHNCKTR-MFKMUULPSA-N 1 2 299.296 2.088 20 30 CEEDLO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001140619229 816305517 /nfs/dbraw/zinc/30/55/17/816305517.db2.gz QMZGBSSYEPZYQK-AWEZNQCLSA-N 1 2 271.364 2.170 20 30 CEEDLO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001140619229 816305523 /nfs/dbraw/zinc/30/55/23/816305523.db2.gz QMZGBSSYEPZYQK-AWEZNQCLSA-N 1 2 271.364 2.170 20 30 CEEDLO C=CCn1cc(-n2c(C)[nH+]c3ccc(N)cc32)cn1 ZINC001176544994 816429941 /nfs/dbraw/zinc/42/99/41/816429941.db2.gz OQBLEKNYPOJJRK-UHFFFAOYSA-N 1 2 253.309 2.299 20 30 CEEDLO Cn1cc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)n1 ZINC001176750580 816465717 /nfs/dbraw/zinc/46/57/17/816465717.db2.gz ZIHJGCVMAMPGGJ-UHFFFAOYSA-N 1 2 268.324 2.031 20 30 CEEDLO CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141166385 816493533 /nfs/dbraw/zinc/49/35/33/816493533.db2.gz KSFUHCNGBSEAOH-UHFFFAOYSA-N 1 2 289.354 2.188 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)CC1 ZINC001177100857 816521942 /nfs/dbraw/zinc/52/19/42/816521942.db2.gz IQMJNGIFMUOZOM-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)CC1 ZINC001177100857 816521947 /nfs/dbraw/zinc/52/19/47/816521947.db2.gz IQMJNGIFMUOZOM-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO CC(C)(S)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177625829 816593907 /nfs/dbraw/zinc/59/39/07/816593907.db2.gz HMJGUHRPEDYXNC-GFCCVEGCSA-N 1 2 282.409 2.069 20 30 CEEDLO CC(C)(S)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177625829 816593911 /nfs/dbraw/zinc/59/39/11/816593911.db2.gz HMJGUHRPEDYXNC-GFCCVEGCSA-N 1 2 282.409 2.069 20 30 CEEDLO O=C(C#Cc1ccccn1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001177797754 816624215 /nfs/dbraw/zinc/62/42/15/816624215.db2.gz ZGJHVCWYZLPPCE-UHFFFAOYSA-N 1 2 288.310 2.258 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cccc4[nH]cnc43)CC[C@H]2S1 ZINC001142676815 816706597 /nfs/dbraw/zinc/70/65/97/816706597.db2.gz RIYWTFRKUNNPOP-CYBMUJFWSA-N 1 2 285.372 2.337 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cccc4[nH]cnc43)CC[C@H]2S1 ZINC001142676815 816706600 /nfs/dbraw/zinc/70/66/00/816706600.db2.gz RIYWTFRKUNNPOP-CYBMUJFWSA-N 1 2 285.372 2.337 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cccc4nc[nH]c43)CC[C@H]2S1 ZINC001142676815 816706606 /nfs/dbraw/zinc/70/66/06/816706606.db2.gz RIYWTFRKUNNPOP-CYBMUJFWSA-N 1 2 285.372 2.337 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cccc4nc[nH]c43)CC[C@H]2S1 ZINC001142676815 816706611 /nfs/dbraw/zinc/70/66/11/816706611.db2.gz RIYWTFRKUNNPOP-CYBMUJFWSA-N 1 2 285.372 2.337 20 30 CEEDLO C#CCC[NH2+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001178534762 816760106 /nfs/dbraw/zinc/76/01/06/816760106.db2.gz APXSZLNQYYRTEU-LLVKDONJSA-N 1 2 296.308 2.176 20 30 CEEDLO C#CCC[NH2+]CCCCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001178534762 816760109 /nfs/dbraw/zinc/76/01/09/816760109.db2.gz APXSZLNQYYRTEU-LLVKDONJSA-N 1 2 296.308 2.176 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1F ZINC001178697234 816785687 /nfs/dbraw/zinc/78/56/87/816785687.db2.gz UYYKUSDAXREKAK-LBPRGKRZSA-N 1 2 279.290 2.259 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1F ZINC001178697234 816785694 /nfs/dbraw/zinc/78/56/94/816785694.db2.gz UYYKUSDAXREKAK-LBPRGKRZSA-N 1 2 279.290 2.259 20 30 CEEDLO C=CCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178746775 816791748 /nfs/dbraw/zinc/79/17/48/816791748.db2.gz KCUFXJBUQKHUSY-GUBZILKMSA-N 1 2 282.281 2.042 20 30 CEEDLO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001178746775 816791759 /nfs/dbraw/zinc/79/17/59/816791759.db2.gz KCUFXJBUQKHUSY-GUBZILKMSA-N 1 2 282.281 2.042 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(OCC)c(F)c2F)CC1 ZINC001143278474 816823122 /nfs/dbraw/zinc/82/31/22/816823122.db2.gz JDLKQWQEAJXQTK-UHFFFAOYSA-N 1 2 294.345 2.114 20 30 CEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336263063 365540058 /nfs/dbraw/zinc/54/00/58/365540058.db2.gz PHASJYGVEHIDOX-UKRRQHHQSA-N 1 2 287.338 2.097 20 30 CEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336263063 365540064 /nfs/dbraw/zinc/54/00/64/365540064.db2.gz PHASJYGVEHIDOX-UKRRQHHQSA-N 1 2 287.338 2.097 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000121512075 365578728 /nfs/dbraw/zinc/57/87/28/365578728.db2.gz UGEJRBDUGDEAQL-UHFFFAOYSA-N 1 2 278.396 2.442 20 30 CEEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000121512075 365578737 /nfs/dbraw/zinc/57/87/37/365578737.db2.gz UGEJRBDUGDEAQL-UHFFFAOYSA-N 1 2 278.396 2.442 20 30 CEEDLO Cc1cc([NH+](C)C)ccc1Nc1cnc(C#N)cn1 ZINC000121569498 365587106 /nfs/dbraw/zinc/58/71/06/365587106.db2.gz ULLLLXPYYGSBRW-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO N/C(=N/O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000079812545 343990920 /nfs/dbraw/zinc/99/09/20/343990920.db2.gz QYLYNIRWTHOXKM-LBPRGKRZSA-N 1 2 267.760 2.441 20 30 CEEDLO N/C(=N/O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000079812545 343990923 /nfs/dbraw/zinc/99/09/23/343990923.db2.gz QYLYNIRWTHOXKM-LBPRGKRZSA-N 1 2 267.760 2.441 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1)Cc1nccc(N)n1 ZINC000122222849 365626622 /nfs/dbraw/zinc/62/66/22/365626622.db2.gz IAGPQCARKVWSMY-UHFFFAOYSA-N 1 2 254.337 2.247 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nccc(N)n1 ZINC000122222849 365626628 /nfs/dbraw/zinc/62/66/28/365626628.db2.gz IAGPQCARKVWSMY-UHFFFAOYSA-N 1 2 254.337 2.247 20 30 CEEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000092908616 539233349 /nfs/dbraw/zinc/23/33/49/539233349.db2.gz DNWVJXDRAKBTNC-UHFFFAOYSA-N 1 2 272.352 2.012 20 30 CEEDLO C=CCOc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000092908616 539233351 /nfs/dbraw/zinc/23/33/51/539233351.db2.gz DNWVJXDRAKBTNC-UHFFFAOYSA-N 1 2 272.352 2.012 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000329357890 539238029 /nfs/dbraw/zinc/23/80/29/539238029.db2.gz ARIGLBOCOXMMKP-TZMCWYRMSA-N 1 2 276.384 2.308 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@@H](C2CC2)C1 ZINC000329357890 539238030 /nfs/dbraw/zinc/23/80/30/539238030.db2.gz ARIGLBOCOXMMKP-TZMCWYRMSA-N 1 2 276.384 2.308 20 30 CEEDLO NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329442977 539239239 /nfs/dbraw/zinc/23/92/39/539239239.db2.gz LGYJUTWEOYALKE-RTXFEEFZSA-N 1 2 290.367 2.496 20 30 CEEDLO CC1(C)CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)O1 ZINC000329534003 539241537 /nfs/dbraw/zinc/24/15/37/539241537.db2.gz YKRIYZWKDULATJ-LLVKDONJSA-N 1 2 251.330 2.256 20 30 CEEDLO CC1(C)CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC000329534003 539241538 /nfs/dbraw/zinc/24/15/38/539241538.db2.gz YKRIYZWKDULATJ-LLVKDONJSA-N 1 2 251.330 2.256 20 30 CEEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccccc1Cl ZINC000126266083 365703665 /nfs/dbraw/zinc/70/36/65/365703665.db2.gz BZVIRDADNCBPLV-SGTLLEGYSA-N 1 2 283.824 2.390 20 30 CEEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000126266083 365703669 /nfs/dbraw/zinc/70/36/69/365703669.db2.gz BZVIRDADNCBPLV-SGTLLEGYSA-N 1 2 283.824 2.390 20 30 CEEDLO C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)N(C)CCC#N ZINC000601939699 346933976 /nfs/dbraw/zinc/93/39/76/346933976.db2.gz KYPHRNBGIBFXSG-BXUZGUMPSA-N 1 2 295.333 2.186 20 30 CEEDLO C[N@H+](Cc1nnc2ccccn21)Cc1cccc(C#N)c1 ZINC000081009689 344033663 /nfs/dbraw/zinc/03/36/63/344033663.db2.gz PAFDHQWROVRPDF-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO C[N@@H+](Cc1nnc2ccccn21)Cc1cccc(C#N)c1 ZINC000081009689 344033664 /nfs/dbraw/zinc/03/36/64/344033664.db2.gz PAFDHQWROVRPDF-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO C[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000134010840 136390887 /nfs/dbraw/zinc/39/08/87/136390887.db2.gz YTWFLMIGIMDZSC-OCCSQVGLSA-N 1 2 267.336 2.237 20 30 CEEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000051405828 343550555 /nfs/dbraw/zinc/55/05/55/343550555.db2.gz TWNOZPAYGKQVJP-UHFFFAOYSA-N 1 2 293.317 2.026 20 30 CEEDLO CCC[N@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000052922978 343568097 /nfs/dbraw/zinc/56/80/97/343568097.db2.gz QNRAXTVOOMVHHI-CYBMUJFWSA-N 1 2 260.337 2.452 20 30 CEEDLO CCC[N@@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000052922978 343568099 /nfs/dbraw/zinc/56/80/99/343568099.db2.gz QNRAXTVOOMVHHI-CYBMUJFWSA-N 1 2 260.337 2.452 20 30 CEEDLO N#Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056357245 343615648 /nfs/dbraw/zinc/61/56/48/343615648.db2.gz IIHYANIWISXAMZ-UHFFFAOYSA-N 1 2 283.335 2.357 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000066469481 343714985 /nfs/dbraw/zinc/71/49/85/343714985.db2.gz RTYVQQLSVNFMLP-RYUDHWBXSA-N 1 2 291.420 2.113 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000066469481 343714987 /nfs/dbraw/zinc/71/49/87/343714987.db2.gz RTYVQQLSVNFMLP-RYUDHWBXSA-N 1 2 291.420 2.113 20 30 CEEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000066469542 343715105 /nfs/dbraw/zinc/71/51/05/343715105.db2.gz ONUNNZXBWKWGAB-WFASDCNBSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000066469542 343715107 /nfs/dbraw/zinc/71/51/07/343715107.db2.gz ONUNNZXBWKWGAB-WFASDCNBSA-N 1 2 276.380 2.135 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000066470239 343715203 /nfs/dbraw/zinc/71/52/03/343715203.db2.gz RSMDODFXXQSXOD-MELADBBJSA-N 1 2 265.401 2.257 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000066470239 343715206 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N#CC[C@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000595608865 345825762 /nfs/dbraw/zinc/82/57/62/345825762.db2.gz AJGBATHTJJYKRL-LLVKDONJSA-N 1 2 272.308 2.455 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000595608865 345825763 /nfs/dbraw/zinc/82/57/63/345825763.db2.gz AJGBATHTJJYKRL-LLVKDONJSA-N 1 2 272.308 2.455 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000595609476 345825808 /nfs/dbraw/zinc/82/58/08/345825808.db2.gz KOQWYEWWRNFGCN-CQSZACIVSA-N 1 2 292.404 2.086 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000595609476 345825810 /nfs/dbraw/zinc/82/58/10/345825810.db2.gz KOQWYEWWRNFGCN-CQSZACIVSA-N 1 2 292.404 2.086 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615719 345827680 /nfs/dbraw/zinc/82/76/80/345827680.db2.gz NGIBIUHYSMPELA-GHMZBOCLSA-N 1 2 278.381 2.096 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615719 345827682 /nfs/dbraw/zinc/82/76/82/345827682.db2.gz NGIBIUHYSMPELA-GHMZBOCLSA-N 1 2 278.381 2.096 20 30 CEEDLO N#Cc1sccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000595631553 345833190 /nfs/dbraw/zinc/83/31/90/345833190.db2.gz DGMVOWXWXDNFBE-UHFFFAOYSA-N 1 2 284.388 2.337 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000595832316 345889177 /nfs/dbraw/zinc/88/91/77/345889177.db2.gz AOIFAQIIMJQFST-AWEZNQCLSA-N 1 2 288.376 2.184 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000595832316 345889181 /nfs/dbraw/zinc/88/91/81/345889181.db2.gz AOIFAQIIMJQFST-AWEZNQCLSA-N 1 2 288.376 2.184 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834319 345891536 /nfs/dbraw/zinc/89/15/36/345891536.db2.gz IUKUTDNDNBIGNF-HNNXBMFYSA-N 1 2 258.321 2.209 20 30 CEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834319 345891538 /nfs/dbraw/zinc/89/15/38/345891538.db2.gz IUKUTDNDNBIGNF-HNNXBMFYSA-N 1 2 258.321 2.209 20 30 CEEDLO COC(=O)[C@@](C)(CCF)[NH2+]CCCC(C)(C)C#N ZINC000595775660 345873838 /nfs/dbraw/zinc/87/38/38/345873838.db2.gz NVTVNMWYHAIBJL-CYBMUJFWSA-N 1 2 258.337 2.197 20 30 CEEDLO Cc1ccc(C#N)nc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000596214461 345970955 /nfs/dbraw/zinc/97/09/55/345970955.db2.gz HKXXOHSWHZZBFF-OAHLLOKOSA-N 1 2 280.331 2.314 20 30 CEEDLO N#CCC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596434187 346023097 /nfs/dbraw/zinc/02/30/97/346023097.db2.gz VBXAMWCRUXZSNZ-UHFFFAOYSA-N 1 2 268.276 2.493 20 30 CEEDLO CC(C)(C)[N@@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596336611 346003305 /nfs/dbraw/zinc/00/33/05/346003305.db2.gz QRBMTIMIDKPDAW-QMMMGPOBSA-N 1 2 284.816 2.375 20 30 CEEDLO CC(C)(C)[N@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596336611 346003308 /nfs/dbraw/zinc/00/33/08/346003308.db2.gz QRBMTIMIDKPDAW-QMMMGPOBSA-N 1 2 284.816 2.375 20 30 CEEDLO C[C@H](CC#N)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000596590596 346061321 /nfs/dbraw/zinc/06/13/21/346061321.db2.gz PHZQNZQUPQMFNQ-GRYCIOLGSA-N 1 2 276.340 2.013 20 30 CEEDLO C[C@H](CC#N)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000596590596 346061323 /nfs/dbraw/zinc/06/13/23/346061323.db2.gz PHZQNZQUPQMFNQ-GRYCIOLGSA-N 1 2 276.340 2.013 20 30 CEEDLO Cc1cc(N[C@@H]2CCN(C3CCCCC3)C2=O)c(C#N)c[nH+]1 ZINC000596563008 346055418 /nfs/dbraw/zinc/05/54/18/346055418.db2.gz UTGRESDQKAPXTG-OAHLLOKOSA-N 1 2 298.390 2.029 20 30 CEEDLO C[C@H](CC#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000596664574 346075097 /nfs/dbraw/zinc/07/50/97/346075097.db2.gz RRPXGKACJYOXHA-CYBMUJFWSA-N 1 2 287.363 2.007 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596706809 346077671 /nfs/dbraw/zinc/07/76/71/346077671.db2.gz AADYYVONSPLBSI-JTQLQIEISA-N 1 2 299.334 2.183 20 30 CEEDLO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597024408 346116527 /nfs/dbraw/zinc/11/65/27/346116527.db2.gz JEOQVOVXHKSRTD-LBPRGKRZSA-N 1 2 298.346 2.050 20 30 CEEDLO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597024408 346116528 /nfs/dbraw/zinc/11/65/28/346116528.db2.gz JEOQVOVXHKSRTD-LBPRGKRZSA-N 1 2 298.346 2.050 20 30 CEEDLO CC[C@H](C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597040683 346119175 /nfs/dbraw/zinc/11/91/75/346119175.db2.gz XTDZERLZPUIVSF-ZIAGYGMSSA-N 1 2 282.347 2.350 20 30 CEEDLO N#Cc1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000597123742 346131284 /nfs/dbraw/zinc/13/12/84/346131284.db2.gz AQCXRLZCTGCNFL-VIFPVBQESA-N 1 2 284.294 2.164 20 30 CEEDLO N#Cc1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000597123742 346131286 /nfs/dbraw/zinc/13/12/86/346131286.db2.gz AQCXRLZCTGCNFL-VIFPVBQESA-N 1 2 284.294 2.164 20 30 CEEDLO Cc1cn2ccc(NC(=O)N(C)CCC#N)cc2[nH+]1 ZINC000597127667 346131843 /nfs/dbraw/zinc/13/18/43/346131843.db2.gz QQAVQXMIHNXFER-UHFFFAOYSA-N 1 2 257.297 2.020 20 30 CEEDLO C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000597258539 346164049 /nfs/dbraw/zinc/16/40/49/346164049.db2.gz PGAODLHPCBFVMW-VLXAULBPSA-N 1 2 286.379 2.112 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597417003 346183200 /nfs/dbraw/zinc/18/32/00/346183200.db2.gz YQOOYHALTKAQFL-LLVKDONJSA-N 1 2 280.331 2.333 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597417003 346183202 /nfs/dbraw/zinc/18/32/02/346183202.db2.gz YQOOYHALTKAQFL-LLVKDONJSA-N 1 2 280.331 2.333 20 30 CEEDLO C[C@@H](C#N)N(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000598126243 346293562 /nfs/dbraw/zinc/29/35/62/346293562.db2.gz SPTHCRFBYTVLLV-LBPRGKRZSA-N 1 2 280.331 2.389 20 30 CEEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1[nH+]ccn1C ZINC000598463803 346361221 /nfs/dbraw/zinc/36/12/21/346361221.db2.gz CTJNQNMUHAHYPG-GFCCVEGCSA-N 1 2 294.358 2.201 20 30 CEEDLO Cc1cn2ccc(NC(=O)CC3(C#N)CCOCC3)cc2[nH+]1 ZINC000598468837 346361585 /nfs/dbraw/zinc/36/15/85/346361585.db2.gz LLFDEKYIJOYMKT-UHFFFAOYSA-N 1 2 298.346 2.292 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000598701089 346403282 /nfs/dbraw/zinc/40/32/82/346403282.db2.gz JGIYKQGCLTZOSF-CYBMUJFWSA-N 1 2 270.336 2.246 20 30 CEEDLO CC(C)(C(=O)NCC1CCC(C#N)CC1)c1c[nH]c[nH+]1 ZINC000598721764 346407939 /nfs/dbraw/zinc/40/79/39/346407939.db2.gz WKNJYDRVNMXAAL-UHFFFAOYSA-N 1 2 274.368 2.133 20 30 CEEDLO CCCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(C)C ZINC000598836313 346425834 /nfs/dbraw/zinc/42/58/34/346425834.db2.gz FZCWNMPKNAIATO-HIFRSBDPSA-N 1 2 267.417 2.409 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598949298 346436750 /nfs/dbraw/zinc/43/67/50/346436750.db2.gz YAOQEZWNAJXIQG-AWEZNQCLSA-N 1 2 294.358 2.039 20 30 CEEDLO N#C[C@@]1(F)CCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000599069367 346455640 /nfs/dbraw/zinc/45/56/40/346455640.db2.gz XTTRQYZECLVLOI-HNNXBMFYSA-N 1 2 281.294 2.324 20 30 CEEDLO Cc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)cc1C#N ZINC000599342762 346502408 /nfs/dbraw/zinc/50/24/08/346502408.db2.gz VBWIRHWCYYYJDN-HNNXBMFYSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1C#N ZINC000599342762 346502411 /nfs/dbraw/zinc/50/24/11/346502411.db2.gz VBWIRHWCYYYJDN-HNNXBMFYSA-N 1 2 281.363 2.332 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000599361459 346507093 /nfs/dbraw/zinc/50/70/93/346507093.db2.gz HCZAYCUVVVWLOJ-OAHLLOKOSA-N 1 2 262.328 2.444 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000599361459 346507096 /nfs/dbraw/zinc/50/70/96/346507096.db2.gz HCZAYCUVVVWLOJ-OAHLLOKOSA-N 1 2 262.328 2.444 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1C#N ZINC000599275276 346489346 /nfs/dbraw/zinc/48/93/46/346489346.db2.gz ONBKGVZXKFRILQ-UHFFFAOYSA-N 1 2 279.334 2.249 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1C#N ZINC000599310719 346496107 /nfs/dbraw/zinc/49/61/07/346496107.db2.gz AXGZOWYXSJSHDW-HOTGVXAUSA-N 1 2 283.375 2.110 20 30 CEEDLO Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1C#N ZINC000599310719 346496111 /nfs/dbraw/zinc/49/61/11/346496111.db2.gz AXGZOWYXSJSHDW-HOTGVXAUSA-N 1 2 283.375 2.110 20 30 CEEDLO COc1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000602605941 347097120 /nfs/dbraw/zinc/09/71/20/347097120.db2.gz LVUZPTZLWLKHKR-UHFFFAOYSA-N 1 2 251.355 2.277 20 30 CEEDLO CCc1noc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599675023 346561315 /nfs/dbraw/zinc/56/13/15/346561315.db2.gz HAMBSSPUKHDKHQ-UHFFFAOYSA-N 1 2 282.347 2.256 20 30 CEEDLO CCc1noc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599675023 346561317 /nfs/dbraw/zinc/56/13/17/346561317.db2.gz HAMBSSPUKHDKHQ-UHFFFAOYSA-N 1 2 282.347 2.256 20 30 CEEDLO C[C@@H]1C[N@H+](CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599593745 346542947 /nfs/dbraw/zinc/54/29/47/346542947.db2.gz DHYVLSQMQQITPH-VXGBXAGGSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@@H]1C[N@@H+](CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599593745 346542949 /nfs/dbraw/zinc/54/29/49/346542949.db2.gz DHYVLSQMQQITPH-VXGBXAGGSA-N 1 2 252.358 2.200 20 30 CEEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000599702268 346572215 /nfs/dbraw/zinc/57/22/15/346572215.db2.gz KUOMDMFWIOSHQW-MRXNPFEDSA-N 1 2 289.354 2.188 20 30 CEEDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000599702268 346572217 /nfs/dbraw/zinc/57/22/17/346572217.db2.gz KUOMDMFWIOSHQW-MRXNPFEDSA-N 1 2 289.354 2.188 20 30 CEEDLO CCOC(=O)c1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000600120707 346600842 /nfs/dbraw/zinc/60/08/42/346600842.db2.gz MMBYOGBKQZDTLF-GFCCVEGCSA-N 1 2 287.363 2.382 20 30 CEEDLO CCOC(=O)c1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000600120707 346600843 /nfs/dbraw/zinc/60/08/43/346600843.db2.gz MMBYOGBKQZDTLF-GFCCVEGCSA-N 1 2 287.363 2.382 20 30 CEEDLO CC[C@@H](C#N)C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315818 346634065 /nfs/dbraw/zinc/63/40/65/346634065.db2.gz VQWHAXLUBFXVJL-GXFFZTMASA-N 1 2 286.310 2.304 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601026602 346734650 /nfs/dbraw/zinc/73/46/50/346734650.db2.gz PBZQZYROVJRKRV-HNNXBMFYSA-N 1 2 268.320 2.499 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602631616 347113006 /nfs/dbraw/zinc/11/30/06/347113006.db2.gz QYSAFMCTRHESEZ-HNNXBMFYSA-N 1 2 287.363 2.259 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602631616 347113010 /nfs/dbraw/zinc/11/30/10/347113010.db2.gz QYSAFMCTRHESEZ-HNNXBMFYSA-N 1 2 287.363 2.259 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602631617 347113088 /nfs/dbraw/zinc/11/30/88/347113088.db2.gz QYSAFMCTRHESEZ-OAHLLOKOSA-N 1 2 287.363 2.259 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602631617 347113091 /nfs/dbraw/zinc/11/30/91/347113091.db2.gz QYSAFMCTRHESEZ-OAHLLOKOSA-N 1 2 287.363 2.259 20 30 CEEDLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C[C@H](C)CCC#N ZINC000602636568 347117043 /nfs/dbraw/zinc/11/70/43/347117043.db2.gz JNHZOEVNBQQGHB-UKRRQHHQSA-N 1 2 289.379 2.085 20 30 CEEDLO COCCc1ncc(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000602677208 347139435 /nfs/dbraw/zinc/13/94/35/347139435.db2.gz WVGATHNSWKPSID-UHFFFAOYSA-N 1 2 267.398 2.314 20 30 CEEDLO COCCc1ncc(C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000602677208 347139440 /nfs/dbraw/zinc/13/94/40/347139440.db2.gz WVGATHNSWKPSID-UHFFFAOYSA-N 1 2 267.398 2.314 20 30 CEEDLO N#CCC1(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000602768724 347190660 /nfs/dbraw/zinc/19/06/60/347190660.db2.gz SOYGNEXHFOCNNT-UHFFFAOYSA-N 1 2 294.402 2.370 20 30 CEEDLO COC(=O)c1coc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000602807374 347207530 /nfs/dbraw/zinc/20/75/30/347207530.db2.gz SELNGTYWBVUTNG-SNVBAGLBSA-N 1 2 277.324 2.148 20 30 CEEDLO Cc1nc([C@@](C)([NH2+]CC2(CC#N)CC2)C2CC2)no1 ZINC000602832970 347217679 /nfs/dbraw/zinc/21/76/79/347217679.db2.gz UNJHXPYYXGKTRZ-ZDUSSCGKSA-N 1 2 260.341 2.287 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@@H](C)N1CC#N ZINC000602856925 347227326 /nfs/dbraw/zinc/22/73/26/347227326.db2.gz MVUIYZCTLMBBTC-CHWSQXEVSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000602860221 347227876 /nfs/dbraw/zinc/22/78/76/347227876.db2.gz ACUCUOLOWVCTFC-XJKSGUPXSA-N 1 2 285.391 2.414 20 30 CEEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)cc1F ZINC000602862928 347230265 /nfs/dbraw/zinc/23/02/65/347230265.db2.gz MYKPSBANJLLZMS-MNOVXSKESA-N 1 2 263.316 2.353 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000602867486 347231175 /nfs/dbraw/zinc/23/11/75/347231175.db2.gz CPHGRQSJONDLJX-MRVPVSSYSA-N 1 2 269.707 2.309 20 30 CEEDLO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000602866185 347231384 /nfs/dbraw/zinc/23/13/84/347231384.db2.gz ZAAZWTIPMYVGGD-NWDGAFQWSA-N 1 2 259.353 2.468 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000602941161 347253260 /nfs/dbraw/zinc/25/32/60/347253260.db2.gz GNULEPZFDFCMBL-UHFFFAOYSA-N 1 2 297.362 2.050 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000602941161 347253261 /nfs/dbraw/zinc/25/32/61/347253261.db2.gz GNULEPZFDFCMBL-UHFFFAOYSA-N 1 2 297.362 2.050 20 30 CEEDLO C[N@H+](CC(=O)NCC1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602974132 347260581 /nfs/dbraw/zinc/26/05/81/347260581.db2.gz KBCXSGHWAQECLZ-LSDHHAIUSA-N 1 2 277.412 2.307 20 30 CEEDLO C[N@@H+](CC(=O)NCC1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602974132 347260584 /nfs/dbraw/zinc/26/05/84/347260584.db2.gz KBCXSGHWAQECLZ-LSDHHAIUSA-N 1 2 277.412 2.307 20 30 CEEDLO CC(C)CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602977582 347263386 /nfs/dbraw/zinc/26/33/86/347263386.db2.gz DDQFRKMSBFLKPO-DZGCQCFKSA-N 1 2 277.412 2.257 20 30 CEEDLO CC(C)CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602977582 347263391 /nfs/dbraw/zinc/26/33/91/347263391.db2.gz DDQFRKMSBFLKPO-DZGCQCFKSA-N 1 2 277.412 2.257 20 30 CEEDLO CN(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602981616 347264712 /nfs/dbraw/zinc/26/47/12/347264712.db2.gz GVTTUXMMRNDHOZ-KBPBESRZSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602981616 347264715 /nfs/dbraw/zinc/26/47/15/347264715.db2.gz GVTTUXMMRNDHOZ-KBPBESRZSA-N 1 2 258.369 2.272 20 30 CEEDLO N#Cc1c(NCC[NH+]2CCOCC2)cccc1-n1cccc1 ZINC000603269151 347326001 /nfs/dbraw/zinc/32/60/01/347326001.db2.gz XOIZDUMCUMZESK-UHFFFAOYSA-N 1 2 296.374 2.093 20 30 CEEDLO CCC[C@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000608816012 347619688 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CCC[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000611430996 347778353 /nfs/dbraw/zinc/77/83/53/347778353.db2.gz QAOZLOKBQHZYJF-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO CCC[C@@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000611430996 347778358 /nfs/dbraw/zinc/77/83/58/347778358.db2.gz QAOZLOKBQHZYJF-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO CCC[C@@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000611430996 347778363 /nfs/dbraw/zinc/77/83/63/347778363.db2.gz QAOZLOKBQHZYJF-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO CCC[C@@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000611430996 347778367 /nfs/dbraw/zinc/77/83/67/347778367.db2.gz QAOZLOKBQHZYJF-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO COc1ncc(C[N@H+](C)C[C@@H](C)C#N)cc1Cl ZINC000611032501 347734409 /nfs/dbraw/zinc/73/44/09/347734409.db2.gz RJSHHNSFVFFWEL-VIFPVBQESA-N 1 2 253.733 2.335 20 30 CEEDLO COc1ncc(C[N@@H+](C)C[C@@H](C)C#N)cc1Cl ZINC000611032501 347734412 /nfs/dbraw/zinc/73/44/12/347734412.db2.gz RJSHHNSFVFFWEL-VIFPVBQESA-N 1 2 253.733 2.335 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171093 347747368 /nfs/dbraw/zinc/74/73/68/347747368.db2.gz RWNIOLZRHXPRKB-CYBMUJFWSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171093 347747372 /nfs/dbraw/zinc/74/73/72/347747372.db2.gz RWNIOLZRHXPRKB-CYBMUJFWSA-N 1 2 286.441 2.073 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164385 347851831 /nfs/dbraw/zinc/85/18/31/347851831.db2.gz BEKXNQUYZPPVRM-ZBFHGGJFSA-N 1 2 277.412 2.403 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164385 347851832 /nfs/dbraw/zinc/85/18/32/347851832.db2.gz BEKXNQUYZPPVRM-ZBFHGGJFSA-N 1 2 277.412 2.403 20 30 CEEDLO CC[N@@H+](Cc1ccccc1C(=O)OC)C[C@@H](C)C#N ZINC000130221399 365934008 /nfs/dbraw/zinc/93/40/08/365934008.db2.gz LCXWLWRJBNQPNS-LBPRGKRZSA-N 1 2 260.337 2.455 20 30 CEEDLO CC[N@H+](Cc1ccccc1C(=O)OC)C[C@@H](C)C#N ZINC000130221399 365934010 /nfs/dbraw/zinc/93/40/10/365934010.db2.gz LCXWLWRJBNQPNS-LBPRGKRZSA-N 1 2 260.337 2.455 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000613353403 348031180 /nfs/dbraw/zinc/03/11/80/348031180.db2.gz OHTYFQVHVYKYPI-OCCSQVGLSA-N 1 2 289.379 2.254 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614131670 348147091 /nfs/dbraw/zinc/14/70/91/348147091.db2.gz DPTGNNDJXXOIIF-YNEHKIRRSA-N 1 2 259.353 2.091 20 30 CEEDLO N#CC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235967 348165310 /nfs/dbraw/zinc/16/53/10/348165310.db2.gz RZBLVTPODPPKKJ-CYBMUJFWSA-N 1 2 254.337 2.272 20 30 CEEDLO N#CC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235967 348165312 /nfs/dbraw/zinc/16/53/12/348165312.db2.gz RZBLVTPODPPKKJ-CYBMUJFWSA-N 1 2 254.337 2.272 20 30 CEEDLO COC(=O)[C@](C)([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000614403420 348194652 /nfs/dbraw/zinc/19/46/52/348194652.db2.gz XIYRZLIIDUAHBX-MRXNPFEDSA-N 1 2 272.348 2.298 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(OC)cc1 ZINC000066215707 362857314 /nfs/dbraw/zinc/85/73/14/362857314.db2.gz HNSGWOOLQZOETE-UHFFFAOYSA-N 1 2 260.337 2.308 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000066565992 362874356 /nfs/dbraw/zinc/87/43/56/362874356.db2.gz ZOUBUZLXRUIVJA-ZDUSSCGKSA-N 1 2 293.436 2.472 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565992 362874364 /nfs/dbraw/zinc/87/43/64/362874364.db2.gz ZOUBUZLXRUIVJA-ZDUSSCGKSA-N 1 2 293.436 2.472 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000617778353 348788552 /nfs/dbraw/zinc/78/85/52/348788552.db2.gz DTNCGEDJYDXFGE-KBPBESRZSA-N 1 2 273.380 2.260 20 30 CEEDLO N#CCCN1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000618289726 348919852 /nfs/dbraw/zinc/91/98/52/348919852.db2.gz PGUSWDFFQHSRHB-UHFFFAOYSA-N 1 2 298.312 2.132 20 30 CEEDLO CCCn1ncnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000619166446 349133032 /nfs/dbraw/zinc/13/30/32/349133032.db2.gz VJYDEJJLQWRKCB-GFCCVEGCSA-N 1 2 269.352 2.411 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCSC(CC)(CC)C1 ZINC000619721396 349228964 /nfs/dbraw/zinc/22/89/64/349228964.db2.gz XXZACKREZLDQRI-NSHDSACASA-N 1 2 257.399 2.322 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCSC(CC)(CC)C1 ZINC000619721396 349228967 /nfs/dbraw/zinc/22/89/67/349228967.db2.gz XXZACKREZLDQRI-NSHDSACASA-N 1 2 257.399 2.322 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(F)cc1C ZINC000619721965 349229290 /nfs/dbraw/zinc/22/92/90/349229290.db2.gz HQIZGSJNRWVNNL-CYBMUJFWSA-N 1 2 251.301 2.294 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(F)cc1C ZINC000619721965 349229295 /nfs/dbraw/zinc/22/92/95/349229295.db2.gz HQIZGSJNRWVNNL-CYBMUJFWSA-N 1 2 251.301 2.294 20 30 CEEDLO C=CC(C)(C)CCNC(=O)NCCNc1cccc[nH+]1 ZINC000624465136 350292006 /nfs/dbraw/zinc/29/20/06/350292006.db2.gz FIIPRIOZZBIUEC-UHFFFAOYSA-N 1 2 276.384 2.395 20 30 CEEDLO C=CC[N@@H+](CCOc1ccccc1)CC(=O)OCC ZINC000110055299 186284203 /nfs/dbraw/zinc/28/42/03/186284203.db2.gz DAECECDUXOEYAS-UHFFFAOYSA-N 1 2 263.337 2.117 20 30 CEEDLO C=CC[N@H+](CCOc1ccccc1)CC(=O)OCC ZINC000110055299 186284205 /nfs/dbraw/zinc/28/42/05/186284205.db2.gz DAECECDUXOEYAS-UHFFFAOYSA-N 1 2 263.337 2.117 20 30 CEEDLO N#Cc1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)ccc1F ZINC000122079328 187013709 /nfs/dbraw/zinc/01/37/09/187013709.db2.gz GSNGVBFJQWNFDB-UHFFFAOYSA-N 1 2 285.326 2.195 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cnc(C)s2)nn1 ZINC000631225932 352026163 /nfs/dbraw/zinc/02/61/63/352026163.db2.gz DLTNORRJHNMRGX-SNVBAGLBSA-N 1 2 277.397 2.470 20 30 CEEDLO C#CCCCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000154539715 188149111 /nfs/dbraw/zinc/14/91/11/188149111.db2.gz FJFWFZPGKYZYMO-LSDHHAIUSA-N 1 2 288.395 2.279 20 30 CEEDLO N#Cc1ccc(F)c(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000336417608 213276205 /nfs/dbraw/zinc/27/62/05/213276205.db2.gz NGZKHDLRIVMEHI-UHFFFAOYSA-N 1 2 284.281 2.289 20 30 CEEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCC#N ZINC000073987429 363276746 /nfs/dbraw/zinc/27/67/46/363276746.db2.gz JHVGMGOOFOSAIC-GFCCVEGCSA-N 1 2 280.393 2.387 20 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1 2 284.359 2.047 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)NCCNc1cccc[nH+]1 ZINC000338337181 366301677 /nfs/dbraw/zinc/30/16/77/366301677.db2.gz JPMKBFHQQWCDEW-UHFFFAOYSA-N 1 2 280.331 2.104 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)c1sccc1C#N ZINC000336328644 213173718 /nfs/dbraw/zinc/17/37/18/213173718.db2.gz NDSJUMIHJFZRSP-UHFFFAOYSA-N 1 2 257.318 2.251 20 30 CEEDLO COc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1C#N ZINC000134981369 366383098 /nfs/dbraw/zinc/38/30/98/366383098.db2.gz KEZKFFHBNUCXHS-UHFFFAOYSA-N 1 2 271.320 2.495 20 30 CEEDLO COc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1C#N ZINC000134981369 366383102 /nfs/dbraw/zinc/38/31/02/366383102.db2.gz KEZKFFHBNUCXHS-UHFFFAOYSA-N 1 2 271.320 2.495 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC1CCC1)CCC2 ZINC000328660621 538872647 /nfs/dbraw/zinc/87/26/47/538872647.db2.gz VRHFGCHPWSXDDY-CYBMUJFWSA-N 1 2 276.384 2.373 20 30 CEEDLO Cc1cc(C[N@@H+]2CCSC[C@H]2C(N)=O)ccc1C#N ZINC000336205559 213027439 /nfs/dbraw/zinc/02/74/39/213027439.db2.gz CNVKNZLNGLJLKQ-ZDUSSCGKSA-N 1 2 275.377 2.319 20 30 CEEDLO Cc1cc(C[N@H+]2CCSC[C@H]2C(N)=O)ccc1C#N ZINC000336205559 213027441 /nfs/dbraw/zinc/02/74/41/213027441.db2.gz CNVKNZLNGLJLKQ-ZDUSSCGKSA-N 1 2 275.377 2.319 20 30 CEEDLO C=CCn1cccc1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000578019757 366430961 /nfs/dbraw/zinc/43/09/61/366430961.db2.gz FCGXLOMDVZUQLN-UHFFFAOYSA-N 1 2 272.352 2.371 20 30 CEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178937666 283388210 /nfs/dbraw/zinc/38/82/10/283388210.db2.gz VWFJJNNQPREAPO-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178937666 283388218 /nfs/dbraw/zinc/38/82/18/283388218.db2.gz VWFJJNNQPREAPO-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO CN(c1nc(C[NH+]2CCC(C#N)CC2)cs1)C1CC1 ZINC000136901461 366531046 /nfs/dbraw/zinc/53/10/46/366531046.db2.gz OTPLSLHQSPCXEJ-UHFFFAOYSA-N 1 2 276.409 2.477 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000578681628 366533726 /nfs/dbraw/zinc/53/37/26/366533726.db2.gz TYTNYVMEJBMFEE-SNVBAGLBSA-N 1 2 258.350 2.454 20 30 CEEDLO CCCOc1ncccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352837292 219671977 /nfs/dbraw/zinc/67/19/77/219671977.db2.gz ZABQUOCAIDHNIJ-UHFFFAOYSA-N 1 2 288.376 2.488 20 30 CEEDLO N#Cc1ccc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)c1 ZINC000341606030 216031595 /nfs/dbraw/zinc/03/15/95/216031595.db2.gz HKGPPCJURPMCQP-UHFFFAOYSA-N 1 2 283.291 2.385 20 30 CEEDLO C=C(CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000673035503 540651410 /nfs/dbraw/zinc/65/14/10/540651410.db2.gz HQJHQKRJTXOENF-OAHLLOKOSA-N 1 2 296.374 2.211 20 30 CEEDLO CC(C)(C)OC(=O)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000297440644 200191186 /nfs/dbraw/zinc/19/11/86/200191186.db2.gz OETFHCBCNZMQBK-UHFFFAOYSA-N 1 2 272.348 2.332 20 30 CEEDLO C=CCCOCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000144969871 366572696 /nfs/dbraw/zinc/57/26/96/366572696.db2.gz MSNSOFIORJHGNB-MRXNPFEDSA-N 1 2 299.374 2.218 20 30 CEEDLO Cc1cc(=O)[nH]c(C=Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000339115501 366659414 /nfs/dbraw/zinc/65/94/14/366659414.db2.gz BYVKDSMSTYRJKP-ARJAWSKDSA-N 1 2 277.287 2.180 20 30 CEEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(O)c1 ZINC000341810070 216114856 /nfs/dbraw/zinc/11/48/56/216114856.db2.gz KIXRNKXMLBYCQT-BZNIZROVSA-N 1 2 295.342 2.141 20 30 CEEDLO C=CCCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673726984 540692018 /nfs/dbraw/zinc/69/20/18/540692018.db2.gz ONUHXESMMNYSGE-UHFFFAOYSA-N 1 2 257.337 2.268 20 30 CEEDLO C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCSCC1 ZINC000152124692 366690230 /nfs/dbraw/zinc/69/02/30/366690230.db2.gz RJHYRKIOCLANEL-JTQLQIEISA-N 1 2 293.367 2.073 20 30 CEEDLO Cc1cccn2cc(CNC(=O)c3ccc(C#N)o3)[nH+]c12 ZINC000340063434 366760611 /nfs/dbraw/zinc/76/06/11/366760611.db2.gz LZBRORSKFNPAEU-UHFFFAOYSA-N 1 2 280.287 2.037 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000580288600 366775645 /nfs/dbraw/zinc/77/56/45/366775645.db2.gz YPGCUTPCFKDTCK-CVEARBPZSA-N 1 2 297.358 2.336 20 30 CEEDLO COc1cc2c(cc1C[NH2+]CC1(C#N)CC1)O[C@@H](C)C2 ZINC000580509171 366778962 /nfs/dbraw/zinc/77/89/62/366778962.db2.gz CUQJSNCELZGVSY-NSHDSACASA-N 1 2 272.348 2.412 20 30 CEEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)nn1 ZINC000301829552 201223130 /nfs/dbraw/zinc/22/31/30/201223130.db2.gz GXNSCYVCFCEAQM-UHFFFAOYSA-N 1 2 266.308 2.087 20 30 CEEDLO C=CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000678537252 541146959 /nfs/dbraw/zinc/14/69/59/541146959.db2.gz UXGZKBHNNWFPIU-UHFFFAOYSA-N 1 2 255.321 2.486 20 30 CEEDLO C=CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000678537252 541146962 /nfs/dbraw/zinc/14/69/62/541146962.db2.gz UXGZKBHNNWFPIU-UHFFFAOYSA-N 1 2 255.321 2.486 20 30 CEEDLO CN(C)c1[nH+]cccc1CNc1nc2ccccn2c1C#N ZINC000302108491 201343858 /nfs/dbraw/zinc/34/38/58/201343858.db2.gz SQVIJJQEXNBAPS-UHFFFAOYSA-N 1 2 292.346 2.279 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087832715 363871814 /nfs/dbraw/zinc/87/18/14/363871814.db2.gz JUUUWOUDEOHPDV-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087832715 363871818 /nfs/dbraw/zinc/87/18/18/363871818.db2.gz JUUUWOUDEOHPDV-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(C#N)ccc1Cl ZINC000334641015 364120718 /nfs/dbraw/zinc/12/07/18/364120718.db2.gz JEBUDLLWURWKBX-UHFFFAOYSA-N 1 2 288.738 2.217 20 30 CEEDLO COCC1(C)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356429090 370708032 /nfs/dbraw/zinc/70/80/32/370708032.db2.gz PLPKEEUJIMYUNV-UHFFFAOYSA-N 1 2 265.382 2.263 20 30 CEEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000237349553 370713829 /nfs/dbraw/zinc/71/38/29/370713829.db2.gz ZBAQRZVHFYBBMN-CYBMUJFWSA-N 1 2 296.374 2.087 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000334734796 364248675 /nfs/dbraw/zinc/24/86/75/364248675.db2.gz HJTMHANIIILEMH-NHYWBVRUSA-N 1 2 297.362 2.115 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1nc(C(F)(F)F)ccc1C#N ZINC000094335300 364266289 /nfs/dbraw/zinc/26/62/89/364266289.db2.gz NXGIXLGAXCGUGZ-UHFFFAOYSA-N 1 2 295.268 2.342 20 30 CEEDLO N#CC[N@@H+](CCC(=O)N1CCCCC1)C1CCCC1 ZINC000156734758 366837409 /nfs/dbraw/zinc/83/74/09/366837409.db2.gz IIDGWMYALVDHOA-UHFFFAOYSA-N 1 2 263.385 2.157 20 30 CEEDLO N#CC[N@H+](CCC(=O)N1CCCCC1)C1CCCC1 ZINC000156734758 366837414 /nfs/dbraw/zinc/83/74/14/366837414.db2.gz IIDGWMYALVDHOA-UHFFFAOYSA-N 1 2 263.385 2.157 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000335112444 364493393 /nfs/dbraw/zinc/49/33/93/364493393.db2.gz HUZLQTZMQVFGGM-CYBMUJFWSA-N 1 2 280.331 2.264 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000103441974 364654900 /nfs/dbraw/zinc/65/49/00/364654900.db2.gz POBBLOOOYHXAGC-LBPRGKRZSA-N 1 2 268.320 2.246 20 30 CEEDLO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425308 541411759 /nfs/dbraw/zinc/41/17/59/541411759.db2.gz WMYZMIXMNWVEJV-ZWNOBZJWSA-N 1 2 291.326 2.463 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)ccc1C#N ZINC000335786328 364980459 /nfs/dbraw/zinc/98/04/59/364980459.db2.gz LREPCHULHKOIKA-HXPMCKFVSA-N 1 2 276.405 2.067 20 30 CEEDLO Cc1cc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)ccc1C#N ZINC000335786328 364980464 /nfs/dbraw/zinc/98/04/64/364980464.db2.gz LREPCHULHKOIKA-HXPMCKFVSA-N 1 2 276.405 2.067 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CC2(CCC2)O1 ZINC000572300980 299356679 /nfs/dbraw/zinc/35/66/79/299356679.db2.gz UBNZKAZFJXCAEH-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC2(CCC2)O1 ZINC000572300980 299356683 /nfs/dbraw/zinc/35/66/83/299356683.db2.gz UBNZKAZFJXCAEH-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000336112712 365425114 /nfs/dbraw/zinc/42/51/14/365425114.db2.gz VJBXKICDCCCNDY-CQSZACIVSA-N 1 2 297.362 2.470 20 30 CEEDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000160369745 366999278 /nfs/dbraw/zinc/99/92/78/366999278.db2.gz WGFBIWXSQIGZKC-JTQLQIEISA-N 1 2 255.325 2.090 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nccn1C ZINC000160867779 367040169 /nfs/dbraw/zinc/04/01/69/367040169.db2.gz HWQWTSWOJIAWSB-LBPRGKRZSA-N 1 2 254.337 2.485 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nccn1C ZINC000160867779 367040170 /nfs/dbraw/zinc/04/01/70/367040170.db2.gz HWQWTSWOJIAWSB-LBPRGKRZSA-N 1 2 254.337 2.485 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)nc1 ZINC000583638700 367076828 /nfs/dbraw/zinc/07/68/28/367076828.db2.gz HCHYCUUFIPLLCJ-AWEZNQCLSA-N 1 2 253.309 2.013 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)nc1 ZINC000583638700 367076835 /nfs/dbraw/zinc/07/68/35/367076835.db2.gz HCHYCUUFIPLLCJ-AWEZNQCLSA-N 1 2 253.309 2.013 20 30 CEEDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)NCC#N)C2CC2)o1 ZINC000342169524 367391374 /nfs/dbraw/zinc/39/13/74/367391374.db2.gz GOSLFUPRNZLYOA-SMDDNHRTSA-N 1 2 287.363 2.007 20 30 CEEDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)NCC#N)C2CC2)o1 ZINC000342169524 367391381 /nfs/dbraw/zinc/39/13/81/367391381.db2.gz GOSLFUPRNZLYOA-SMDDNHRTSA-N 1 2 287.363 2.007 20 30 CEEDLO C[C@@H](CC#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342557149 367420214 /nfs/dbraw/zinc/42/02/14/367420214.db2.gz NDHXZIDFZLZXOZ-JSGCOSHPSA-N 1 2 282.347 2.350 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)[nH]1 ZINC000342824606 367557619 /nfs/dbraw/zinc/55/76/19/367557619.db2.gz ZVYXFVAGNYBWNO-SECBINFHSA-N 1 2 273.315 2.229 20 30 CEEDLO CCCc1ccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)cc1 ZINC000171820524 367622610 /nfs/dbraw/zinc/62/26/10/367622610.db2.gz QWLODDAPKMOKGR-UHFFFAOYSA-N 1 2 291.395 2.343 20 30 CEEDLO COc1ccc2c(c1)C[N@@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000171988653 367655391 /nfs/dbraw/zinc/65/53/91/367655391.db2.gz DTRLFYSHTDKMRR-CYBMUJFWSA-N 1 2 269.348 2.497 20 30 CEEDLO COc1ccc2c(c1)C[N@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000171988653 367655397 /nfs/dbraw/zinc/65/53/97/367655397.db2.gz DTRLFYSHTDKMRR-CYBMUJFWSA-N 1 2 269.348 2.497 20 30 CEEDLO N#CCc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000172346024 367724398 /nfs/dbraw/zinc/72/43/98/367724398.db2.gz CHEYESXDKWKVLY-UHFFFAOYSA-N 1 2 294.358 2.380 20 30 CEEDLO C=CCCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632798238 367919735 /nfs/dbraw/zinc/91/97/35/367919735.db2.gz SUYNMWPULMXDDM-UHFFFAOYSA-N 1 2 269.348 2.497 20 30 CEEDLO Cc1cc(C)c(NC(=O)c2cc(C#N)cn2C)c(C)[nH+]1 ZINC000176622386 368250115 /nfs/dbraw/zinc/25/01/15/368250115.db2.gz BFFUDJGNOBOCCK-UHFFFAOYSA-N 1 2 268.320 2.469 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181334120 368445494 /nfs/dbraw/zinc/44/54/94/368445494.db2.gz FJYWCGKVXNPOJX-UHFFFAOYSA-N 1 2 287.407 2.471 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181334120 368445503 /nfs/dbraw/zinc/44/55/03/368445503.db2.gz FJYWCGKVXNPOJX-UHFFFAOYSA-N 1 2 287.407 2.471 20 30 CEEDLO COCc1noc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000181515637 368466100 /nfs/dbraw/zinc/46/61/00/368466100.db2.gz YCXHYIAJSDPAEU-NSHDSACASA-N 1 2 286.335 2.281 20 30 CEEDLO COCc1noc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000181515637 368466102 /nfs/dbraw/zinc/46/61/02/368466102.db2.gz YCXHYIAJSDPAEU-NSHDSACASA-N 1 2 286.335 2.281 20 30 CEEDLO COc1cc2c(c(C[NH2+]C[C@@H](C)C#N)c1)O[C@H](C)C2 ZINC000183831648 368653535 /nfs/dbraw/zinc/65/35/35/368653535.db2.gz LLQPQDJYXXUAAW-WDEREUQCSA-N 1 2 260.337 2.268 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185889165 368880924 /nfs/dbraw/zinc/88/09/24/368880924.db2.gz GAYXPJHYTLIRGL-GRYCIOLGSA-N 1 2 252.358 2.389 20 30 CEEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000186004539 368903950 /nfs/dbraw/zinc/90/39/50/368903950.db2.gz ICQSQKAQRDASLU-STQMWFEESA-N 1 2 291.420 2.158 20 30 CEEDLO C#C[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000186012694 368905554 /nfs/dbraw/zinc/90/55/54/368905554.db2.gz AZIPXAVCEAMROM-GFCCVEGCSA-N 1 2 287.388 2.014 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(C#N)c1C ZINC000348274050 368980645 /nfs/dbraw/zinc/98/06/45/368980645.db2.gz AWYCFNGFLGWKJS-UHFFFAOYSA-N 1 2 281.315 2.200 20 30 CEEDLO Cn1nccc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000348404982 369034830 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CCc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1C ZINC000330606433 377194663 /nfs/dbraw/zinc/19/46/63/377194663.db2.gz NRCHUEBSXLLNBG-HNNXBMFYSA-N 1 2 291.395 2.214 20 30 CEEDLO CCc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1C ZINC000330606433 377194672 /nfs/dbraw/zinc/19/46/72/377194672.db2.gz NRCHUEBSXLLNBG-HNNXBMFYSA-N 1 2 291.395 2.214 20 30 CEEDLO C=CCc1cc(C[NH2+]CC(F)F)cc(OC)c1O ZINC000291503365 377196631 /nfs/dbraw/zinc/19/66/31/377196631.db2.gz VUEYKXUOCFEFFX-UHFFFAOYSA-N 1 2 257.280 2.484 20 30 CEEDLO COCC[C@H]1COCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000291350025 377187039 /nfs/dbraw/zinc/18/70/39/377187039.db2.gz XSGUYCYZLYVTSE-HNNXBMFYSA-N 1 2 299.374 2.048 20 30 CEEDLO COCC[C@H]1COCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000291350025 377187044 /nfs/dbraw/zinc/18/70/44/377187044.db2.gz XSGUYCYZLYVTSE-HNNXBMFYSA-N 1 2 299.374 2.048 20 30 CEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000292923185 377352209 /nfs/dbraw/zinc/35/22/09/377352209.db2.gz GHXNKSJXDMCIHP-UHFFFAOYSA-N 1 2 290.338 2.426 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1[N+](=O)[O-] ZINC000428873020 377503340 /nfs/dbraw/zinc/50/33/40/377503340.db2.gz QVEYRKACVIRYPI-UHFFFAOYSA-N 1 2 275.308 2.375 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1[N+](=O)[O-] ZINC000428873020 377503347 /nfs/dbraw/zinc/50/33/47/377503347.db2.gz QVEYRKACVIRYPI-UHFFFAOYSA-N 1 2 275.308 2.375 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000565607338 377679849 /nfs/dbraw/zinc/67/98/49/377679849.db2.gz OIMFGGCXTQVDLN-KBPBESRZSA-N 1 2 259.353 2.098 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccc(C#N)cc1 ZINC000565666156 377685194 /nfs/dbraw/zinc/68/51/94/377685194.db2.gz QPYJKWOPRKHLAB-QWRGUYRKSA-N 1 2 267.336 2.173 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CCCC[C@@H]1O ZINC000566302368 377754647 /nfs/dbraw/zinc/75/46/47/377754647.db2.gz VUORNCUWGPUSTD-ZBFHGGJFSA-N 1 2 273.380 2.348 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CCCC[C@@H]1O ZINC000566302368 377754651 /nfs/dbraw/zinc/75/46/51/377754651.db2.gz VUORNCUWGPUSTD-ZBFHGGJFSA-N 1 2 273.380 2.348 20 30 CEEDLO Cc1cc(C)cc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000566309256 377754797 /nfs/dbraw/zinc/75/47/97/377754797.db2.gz MOGMYGNKZMXAHH-KRWDZBQOSA-N 1 2 287.407 2.196 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000566731847 377766842 /nfs/dbraw/zinc/76/68/42/377766842.db2.gz ICYRLCCTNQLYKM-HUUCEWRRSA-N 1 2 274.364 2.296 20 30 CEEDLO Cc1cc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c(C#N)c[nH+]1 ZINC000333472337 377766731 /nfs/dbraw/zinc/76/67/31/377766731.db2.gz NUSOQPLCKBSMDQ-UMVBOHGHSA-N 1 2 257.337 2.053 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(C)(C)C#N ZINC000433315699 377789667 /nfs/dbraw/zinc/78/96/67/377789667.db2.gz ZBVOOMIPMRSOAU-ZDUSSCGKSA-N 1 2 290.411 2.199 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433315699 377789672 /nfs/dbraw/zinc/78/96/72/377789672.db2.gz ZBVOOMIPMRSOAU-ZDUSSCGKSA-N 1 2 290.411 2.199 20 30 CEEDLO Cc1ccccc1[C@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000567065339 377800616 /nfs/dbraw/zinc/80/06/16/377800616.db2.gz YKWGOMZSUVTNNI-MRXNPFEDSA-N 1 2 274.364 2.299 20 30 CEEDLO Cc1ccccc1[C@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000567065339 377800630 /nfs/dbraw/zinc/80/06/30/377800630.db2.gz YKWGOMZSUVTNNI-MRXNPFEDSA-N 1 2 274.364 2.299 20 30 CEEDLO CC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1[nH]cc[nH+]1 ZINC000442805252 378000885 /nfs/dbraw/zinc/00/08/85/378000885.db2.gz XYVDNIRMKXVGPQ-CYBMUJFWSA-N 1 2 268.320 2.357 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000295354237 378119562 /nfs/dbraw/zinc/11/95/62/378119562.db2.gz IRRHOEGUTZGHGD-UHFFFAOYSA-N 1 2 265.378 2.241 20 30 CEEDLO C=CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000295354237 378119565 /nfs/dbraw/zinc/11/95/65/378119565.db2.gz IRRHOEGUTZGHGD-UHFFFAOYSA-N 1 2 265.378 2.241 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OCC ZINC000449661424 378218222 /nfs/dbraw/zinc/21/82/22/378218222.db2.gz ZVFCJBGHZKNVQN-AVGNSLFASA-N 1 2 250.342 2.166 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)[C@@]2(C#N)C[C@@H]2C)c[nH+]1 ZINC000448715195 378180927 /nfs/dbraw/zinc/18/09/27/378180927.db2.gz CWQIMVBSMVMKGQ-BLLLJJGKSA-N 1 2 286.379 2.094 20 30 CEEDLO C#CCO[C@H](C)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000295994102 378385335 /nfs/dbraw/zinc/38/53/35/378385335.db2.gz NVIQQKZYFNYQGN-LLVKDONJSA-N 1 2 282.303 2.019 20 30 CEEDLO CNc1nc(NCC(C)(C)CCC#N)[nH+]c2ccccc21 ZINC000450528810 378461727 /nfs/dbraw/zinc/46/17/27/378461727.db2.gz QWGIPTUUJBVBDA-UHFFFAOYSA-N 1 2 283.379 2.257 20 30 CEEDLO C=CC[N@@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450768449 378569012 /nfs/dbraw/zinc/56/90/12/378569012.db2.gz WHCNTSIYSUVTIL-UHFFFAOYSA-N 1 2 253.367 2.098 20 30 CEEDLO C=CC[N@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450768449 378569015 /nfs/dbraw/zinc/56/90/15/378569015.db2.gz WHCNTSIYSUVTIL-UHFFFAOYSA-N 1 2 253.367 2.098 20 30 CEEDLO N#Cc1cc2c(nc1NCCNc1cccc[nH+]1)CCC2 ZINC000298733958 378817248 /nfs/dbraw/zinc/81/72/48/378817248.db2.gz PEGLYJOIMBIYOT-UHFFFAOYSA-N 1 2 279.347 2.361 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000353696834 220263929 /nfs/dbraw/zinc/26/39/29/220263929.db2.gz CEBAYAGTXGXGRK-UHFFFAOYSA-N 1 2 298.321 2.077 20 30 CEEDLO CC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(C#N)cc1 ZINC000278778717 194151737 /nfs/dbraw/zinc/15/17/37/194151737.db2.gz PQQYLQYACADNSB-FZMZJTMJSA-N 1 2 269.352 2.489 20 30 CEEDLO Cc1ccc(CCNc2nnc(C)c(C)c2C#N)c[nH+]1 ZINC000301223183 379223237 /nfs/dbraw/zinc/22/32/37/379223237.db2.gz ACFNWKCZSGTZSC-UHFFFAOYSA-N 1 2 267.336 2.323 20 30 CEEDLO Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1C#N ZINC000302648888 379413244 /nfs/dbraw/zinc/41/32/44/379413244.db2.gz MRWUHFIAOMEPJR-CQSZACIVSA-N 1 2 280.331 2.314 20 30 CEEDLO C=C[C@@H](CO)Nc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000488037291 380089818 /nfs/dbraw/zinc/08/98/18/380089818.db2.gz UTMUHGBVWIFVOG-ZDUSSCGKSA-N 1 2 282.347 2.130 20 30 CEEDLO COC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459503813 380063949 /nfs/dbraw/zinc/06/39/49/380063949.db2.gz GCUVEXYYSJGWTR-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO COC[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459503813 380063952 /nfs/dbraw/zinc/06/39/52/380063952.db2.gz GCUVEXYYSJGWTR-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](COCC)C2)c1 ZINC000529662472 380181956 /nfs/dbraw/zinc/18/19/56/380181956.db2.gz QVYHFODKLAARGV-KRWDZBQOSA-N 1 2 291.391 2.489 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](COCC)C2)c1 ZINC000529662472 380181964 /nfs/dbraw/zinc/18/19/64/380181964.db2.gz QVYHFODKLAARGV-KRWDZBQOSA-N 1 2 291.391 2.489 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530277979 380200090 /nfs/dbraw/zinc/20/00/90/380200090.db2.gz KGUKPIQYWJIIQU-RYUDHWBXSA-N 1 2 288.395 2.446 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530277979 380200094 /nfs/dbraw/zinc/20/00/94/380200094.db2.gz KGUKPIQYWJIIQU-RYUDHWBXSA-N 1 2 288.395 2.446 20 30 CEEDLO CCOC(=O)c1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000543807556 380346971 /nfs/dbraw/zinc/34/69/71/380346971.db2.gz JGFSKXXDDKAIBO-UHFFFAOYSA-N 1 2 293.392 2.445 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000544058961 380348744 /nfs/dbraw/zinc/34/87/44/380348744.db2.gz MMPRHYBUXZSOAK-CQSZACIVSA-N 1 2 268.320 2.473 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000544058961 380348748 /nfs/dbraw/zinc/34/87/48/380348748.db2.gz MMPRHYBUXZSOAK-CQSZACIVSA-N 1 2 268.320 2.473 20 30 CEEDLO C#CCCN(CC(F)(F)F)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492571125 380608954 /nfs/dbraw/zinc/60/89/54/380608954.db2.gz YMNKTPXTBPPAJJ-SREVYHEPSA-N 1 2 299.296 2.330 20 30 CEEDLO N#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000492856283 380709601 /nfs/dbraw/zinc/70/96/01/380709601.db2.gz BNMFHRQDWXRJIX-SZZPACECSA-N 1 2 286.722 2.457 20 30 CEEDLO C[C@@](C#N)(NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000555904097 380857593 /nfs/dbraw/zinc/85/75/93/380857593.db2.gz IMKMONSRLMQHHF-HNNXBMFYSA-N 1 2 274.368 2.252 20 30 CEEDLO C=CCCCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000556193055 380881827 /nfs/dbraw/zinc/88/18/27/380881827.db2.gz VSZYEWOIZZBYRF-GFCCVEGCSA-N 1 2 257.399 2.323 20 30 CEEDLO C=CCCCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000556193055 380881831 /nfs/dbraw/zinc/88/18/31/380881831.db2.gz VSZYEWOIZZBYRF-GFCCVEGCSA-N 1 2 257.399 2.323 20 30 CEEDLO C[C@H]1C[N@H+](CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493982465 381151666 /nfs/dbraw/zinc/15/16/66/381151666.db2.gz SATMKXWJEMFVGI-RYUDHWBXSA-N 1 2 267.373 2.135 20 30 CEEDLO C[C@H]1C[N@@H+](CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493982465 381151672 /nfs/dbraw/zinc/15/16/72/381151672.db2.gz SATMKXWJEMFVGI-RYUDHWBXSA-N 1 2 267.373 2.135 20 30 CEEDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495812258 381185141 /nfs/dbraw/zinc/18/51/41/381185141.db2.gz AEBDKSSEUDCOGS-ZDUSSCGKSA-N 1 2 267.373 2.233 20 30 CEEDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495812258 381185150 /nfs/dbraw/zinc/18/51/50/381185150.db2.gz AEBDKSSEUDCOGS-ZDUSSCGKSA-N 1 2 267.373 2.233 20 30 CEEDLO N#CC1(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)CC1 ZINC000497037687 381238400 /nfs/dbraw/zinc/23/84/00/381238400.db2.gz JUKUEXASCAIANS-ZDUSSCGKSA-N 1 2 277.368 2.033 20 30 CEEDLO N#CC1(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)CC1 ZINC000497037687 381238404 /nfs/dbraw/zinc/23/84/04/381238404.db2.gz JUKUEXASCAIANS-ZDUSSCGKSA-N 1 2 277.368 2.033 20 30 CEEDLO Cc1cc(C#N)nc(NCCCCNc2cccc[nH+]2)n1 ZINC000281045411 195082065 /nfs/dbraw/zinc/08/20/65/195082065.db2.gz WCKMOLIIQSQJNK-UHFFFAOYSA-N 1 2 282.351 2.356 20 30 CEEDLO C#CCCCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000192207698 533025518 /nfs/dbraw/zinc/02/55/18/533025518.db2.gz XHYRUPVHRAFCGX-UHFFFAOYSA-N 1 2 286.375 2.261 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CCCOC1 ZINC000336803345 262395844 /nfs/dbraw/zinc/39/58/44/262395844.db2.gz YBWOBEVZLLKPME-CQSZACIVSA-N 1 2 259.353 2.224 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CCCOC1 ZINC000336803345 262395845 /nfs/dbraw/zinc/39/58/45/262395845.db2.gz YBWOBEVZLLKPME-CQSZACIVSA-N 1 2 259.353 2.224 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352741273 533393534 /nfs/dbraw/zinc/39/35/34/533393534.db2.gz WUCDRXXJAMQYKD-LBPRGKRZSA-N 1 2 298.350 2.092 20 30 CEEDLO CC[N@H+](CC[S@](=O)c1ccccc1)C[C@@H](C)C#N ZINC000355434379 394452833 /nfs/dbraw/zinc/45/28/33/394452833.db2.gz ILUPQRJJIZFIIT-UGSOOPFHSA-N 1 2 264.394 2.276 20 30 CEEDLO CC[N@@H+](CC[S@](=O)c1ccccc1)C[C@@H](C)C#N ZINC000355434379 394452839 /nfs/dbraw/zinc/45/28/39/394452839.db2.gz ILUPQRJJIZFIIT-UGSOOPFHSA-N 1 2 264.394 2.276 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCCS1 ZINC000329591416 394575457 /nfs/dbraw/zinc/57/54/57/394575457.db2.gz YXQOILKWDRMRSW-NSHDSACASA-N 1 2 265.382 2.424 20 30 CEEDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329622143 394577771 /nfs/dbraw/zinc/57/77/71/394577771.db2.gz NGXPQCPNJJTJGQ-MCIONIFRSA-N 1 2 289.379 2.360 20 30 CEEDLO Cc1cnc([NH+]=C([O-])N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000329907093 394594121 /nfs/dbraw/zinc/59/41/21/394594121.db2.gz SQOHOOYJWCNEJM-JQWIXIFHSA-N 1 2 289.339 2.308 20 30 CEEDLO Cc1cnc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000329907093 394594123 /nfs/dbraw/zinc/59/41/23/394594123.db2.gz SQOHOOYJWCNEJM-JQWIXIFHSA-N 1 2 289.339 2.308 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1C[C@@]12CCOC2 ZINC000329758193 394583844 /nfs/dbraw/zinc/58/38/44/394583844.db2.gz ZVNHHCNTAWFFRJ-SLEUVZQESA-N 1 2 275.352 2.144 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355761814 394523938 /nfs/dbraw/zinc/52/39/38/394523938.db2.gz CGXWNHYKHCYHOO-ZBFHGGJFSA-N 1 2 294.439 2.491 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355761814 394523943 /nfs/dbraw/zinc/52/39/43/394523943.db2.gz CGXWNHYKHCYHOO-ZBFHGGJFSA-N 1 2 294.439 2.491 20 30 CEEDLO N#CCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000247778327 394535392 /nfs/dbraw/zinc/53/53/92/394535392.db2.gz ZBTPITBVCXCJLM-UHFFFAOYSA-N 1 2 291.782 2.402 20 30 CEEDLO CC1(CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328603191 394554164 /nfs/dbraw/zinc/55/41/64/394554164.db2.gz HOEAPJHOKBXKCL-NSHDSACASA-N 1 2 262.357 2.064 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(F)c1 ZINC000090009106 394654124 /nfs/dbraw/zinc/65/41/24/394654124.db2.gz FUAWBZJUMZTNNC-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(F)c1 ZINC000090009106 394654126 /nfs/dbraw/zinc/65/41/26/394654126.db2.gz FUAWBZJUMZTNNC-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO COc1ccc(C[N@H+](C)CC2(C#N)CC2)cc1OC ZINC000259030829 394600258 /nfs/dbraw/zinc/60/02/58/394600258.db2.gz ZNCIOKAPQYIJKN-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccc(C[N@@H+](C)CC2(C#N)CC2)cc1OC ZINC000259030829 394600262 /nfs/dbraw/zinc/60/02/62/394600262.db2.gz ZNCIOKAPQYIJKN-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000330416189 394607334 /nfs/dbraw/zinc/60/73/34/394607334.db2.gz DHSMBSZSNOFNSK-UTUOFQBUSA-N 1 2 278.356 2.291 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000330416189 394607338 /nfs/dbraw/zinc/60/73/38/394607338.db2.gz DHSMBSZSNOFNSK-UTUOFQBUSA-N 1 2 278.356 2.291 20 30 CEEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000334244964 394668389 /nfs/dbraw/zinc/66/83/89/394668389.db2.gz RKWZMUOKAJLDEL-OLZOCXBDSA-N 1 2 289.354 2.191 20 30 CEEDLO Cc1cc(N2CCC([C@H]3NC(=O)C3(C)C)CC2)c(C#N)c[nH+]1 ZINC000333415786 394645894 /nfs/dbraw/zinc/64/58/94/394645894.db2.gz IAWFNNYHSGLCSH-OAHLLOKOSA-N 1 2 298.390 2.003 20 30 CEEDLO N#CC1(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000334292624 394672100 /nfs/dbraw/zinc/67/21/00/394672100.db2.gz OFETWLMHUPGRAA-UHFFFAOYSA-N 1 2 289.404 2.200 20 30 CEEDLO N#CC1(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000334292624 394672103 /nfs/dbraw/zinc/67/21/03/394672103.db2.gz OFETWLMHUPGRAA-UHFFFAOYSA-N 1 2 289.404 2.200 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268440543 394695066 /nfs/dbraw/zinc/69/50/66/394695066.db2.gz GANXDGXLZINUAC-CHWSQXEVSA-N 1 2 287.363 2.142 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268440543 394695070 /nfs/dbraw/zinc/69/50/70/394695070.db2.gz GANXDGXLZINUAC-CHWSQXEVSA-N 1 2 287.363 2.142 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000271112656 394747438 /nfs/dbraw/zinc/74/74/38/394747438.db2.gz CLVUNTSWNAYTTO-NSHDSACASA-N 1 2 255.325 2.063 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000271112656 394747441 /nfs/dbraw/zinc/74/74/41/394747441.db2.gz CLVUNTSWNAYTTO-NSHDSACASA-N 1 2 255.325 2.063 20 30 CEEDLO N#CCC[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000269645576 394719517 /nfs/dbraw/zinc/71/95/17/394719517.db2.gz XYESYEOPFQGTGK-HNNXBMFYSA-N 1 2 282.347 2.434 20 30 CEEDLO Cn1c[nH+]cc1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000270190263 394728121 /nfs/dbraw/zinc/72/81/21/394728121.db2.gz AFJXPFDWBWPHMW-UHFFFAOYSA-N 1 2 287.367 2.124 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335556669 394774861 /nfs/dbraw/zinc/77/48/61/394774861.db2.gz BITJKNRCJKONJG-CHWSQXEVSA-N 1 2 259.353 2.013 20 30 CEEDLO NC(CCO)=[NH+]OCc1cc(Cl)ccc1Cl ZINC000121326905 394796328 /nfs/dbraw/zinc/79/63/28/394796328.db2.gz HQMDHSGZMJQLCG-UHFFFAOYSA-N 1 2 263.124 2.165 20 30 CEEDLO N#CCCCCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360498192 394802158 /nfs/dbraw/zinc/80/21/58/394802158.db2.gz GBANJZFSAZWWDB-UHFFFAOYSA-N 1 2 297.362 2.365 20 30 CEEDLO CN(C(=O)C(C)(C)C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000363628862 394881981 /nfs/dbraw/zinc/88/19/81/394881981.db2.gz YJRSGKIIYHJSGA-UHFFFAOYSA-N 1 2 286.379 2.059 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](CC)C(=O)OC ZINC000285115561 394953715 /nfs/dbraw/zinc/95/37/15/394953715.db2.gz MWKXACJTUAJMPI-CABCVRRESA-N 1 2 259.349 2.162 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)OCC ZINC000285156722 394954645 /nfs/dbraw/zinc/95/46/45/394954645.db2.gz PRYXKYPIABVKHP-HIFRSBDPSA-N 1 2 259.349 2.162 20 30 CEEDLO C[C@H](C#N)CN(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000338358529 394916444 /nfs/dbraw/zinc/91/64/44/394916444.db2.gz ZBHMDOXDVBCWRW-GFCCVEGCSA-N 1 2 254.337 2.458 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000370782173 395012434 /nfs/dbraw/zinc/01/24/34/395012434.db2.gz JJYNGCIZEGHYQM-NWDGAFQWSA-N 1 2 292.408 2.041 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]1c1nccs1 ZINC000370782173 395012437 /nfs/dbraw/zinc/01/24/37/395012437.db2.gz JJYNGCIZEGHYQM-NWDGAFQWSA-N 1 2 292.408 2.041 20 30 CEEDLO Cc1c[nH+]c(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)n1C ZINC000342856556 395025134 /nfs/dbraw/zinc/02/51/34/395025134.db2.gz ZSLSCROLZKHILT-GDBMZVCRSA-N 1 2 288.395 2.156 20 30 CEEDLO C#CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000371189561 395025798 /nfs/dbraw/zinc/02/57/98/395025798.db2.gz UYYPDPLKMZGSFI-ZDUSSCGKSA-N 1 2 296.292 2.202 20 30 CEEDLO C#CCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000371189561 395025800 /nfs/dbraw/zinc/02/58/00/395025800.db2.gz UYYPDPLKMZGSFI-ZDUSSCGKSA-N 1 2 296.292 2.202 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000339754249 394969813 /nfs/dbraw/zinc/96/98/13/394969813.db2.gz OMZQWKBIWOVAEW-QGZVFWFLSA-N 1 2 284.403 2.478 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000339754249 394969815 /nfs/dbraw/zinc/96/98/15/394969815.db2.gz OMZQWKBIWOVAEW-QGZVFWFLSA-N 1 2 284.403 2.478 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000425121281 395050817 /nfs/dbraw/zinc/05/08/17/395050817.db2.gz BQGPZXNMLHPXDQ-ZDUSSCGKSA-N 1 2 282.347 2.364 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C[C@H](C#N)CCC#N ZINC000372996092 395050881 /nfs/dbraw/zinc/05/08/81/395050881.db2.gz KBNFPSNQKQZUHX-ZDUSSCGKSA-N 1 2 271.368 2.095 20 30 CEEDLO Cc1cc(NCC(C)(C)[C@H](O)C(C)C)c(C#N)c[nH+]1 ZINC000425251904 395054972 /nfs/dbraw/zinc/05/49/72/395054972.db2.gz YLFOPGLKQINSLM-CQSZACIVSA-N 1 2 261.369 2.139 20 30 CEEDLO C#CCCCCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373141407 395055441 /nfs/dbraw/zinc/05/54/41/395055441.db2.gz VGAAOAZDGFGXOC-HNNXBMFYSA-N 1 2 285.391 2.360 20 30 CEEDLO COCc1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425532746 395061388 /nfs/dbraw/zinc/06/13/88/395061388.db2.gz KBFQMEAEIQJDEE-LLVKDONJSA-N 1 2 286.335 2.281 20 30 CEEDLO COCc1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425532746 395061392 /nfs/dbraw/zinc/06/13/92/395061392.db2.gz KBFQMEAEIQJDEE-LLVKDONJSA-N 1 2 286.335 2.281 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)C(C)(C)C ZINC000288508689 395062302 /nfs/dbraw/zinc/06/23/02/395062302.db2.gz BAHZVEXEIKWFNQ-AWEZNQCLSA-N 1 2 298.390 2.490 20 30 CEEDLO C#C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)(C)C ZINC000288716820 395064818 /nfs/dbraw/zinc/06/48/18/395064818.db2.gz YGRNFXYTWVZBCE-CYBMUJFWSA-N 1 2 288.395 2.347 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1csc(N(C(C)=O)C2CC2)n1)C(C)C ZINC000289347342 395075958 /nfs/dbraw/zinc/07/59/58/395075958.db2.gz IRDXMMSOMURRCM-CQSZACIVSA-N 1 2 291.420 2.406 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1ccc(Cl)c(C#N)n1)CC2 ZINC000374716649 395086129 /nfs/dbraw/zinc/08/61/29/395086129.db2.gz LOALMDDDCACXNL-UHFFFAOYSA-N 1 2 273.727 2.132 20 30 CEEDLO C=CCOCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000346081029 395086177 /nfs/dbraw/zinc/08/61/77/395086177.db2.gz GJSJRSOAJZBPBI-UHFFFAOYSA-N 1 2 257.293 2.218 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1 ZINC000289948912 395091285 /nfs/dbraw/zinc/09/12/85/395091285.db2.gz ZXIWFZNYBIYLSS-FZKQIMNGSA-N 1 2 261.390 2.011 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1 ZINC000289948912 395091290 /nfs/dbraw/zinc/09/12/90/395091290.db2.gz ZXIWFZNYBIYLSS-FZKQIMNGSA-N 1 2 261.390 2.011 20 30 CEEDLO COCC1(C#N)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000343137997 395032949 /nfs/dbraw/zinc/03/29/49/395032949.db2.gz GFZCSLHHSKIEOT-UHFFFAOYSA-N 1 2 270.336 2.319 20 30 CEEDLO C=CCCCCCCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000287199780 395035620 /nfs/dbraw/zinc/03/56/20/395035620.db2.gz UTRLIHVJOJFCIB-HNNXBMFYSA-N 1 2 292.427 2.276 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000174221046 395121347 /nfs/dbraw/zinc/12/13/47/395121347.db2.gz NUGYGYPABAVSPN-LBPRGKRZSA-N 1 2 275.352 2.408 20 30 CEEDLO CC(C)(C#N)CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376041980 395108010 /nfs/dbraw/zinc/10/80/10/395108010.db2.gz JJMUZEJMDMBUMW-ZDUSSCGKSA-N 1 2 286.379 2.106 20 30 CEEDLO CC(C)(CCC#N)C[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000348781743 395151019 /nfs/dbraw/zinc/15/10/19/395151019.db2.gz DABMGGAYFZVJPK-UHFFFAOYSA-N 1 2 291.317 2.023 20 30 CEEDLO CC(C)(CCC#N)C[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000348781743 395151023 /nfs/dbraw/zinc/15/10/23/395151023.db2.gz DABMGGAYFZVJPK-UHFFFAOYSA-N 1 2 291.317 2.023 20 30 CEEDLO COCC[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@H]1C ZINC000428985513 395157770 /nfs/dbraw/zinc/15/77/70/395157770.db2.gz VNXXTSMOEVJCMM-LRDDRELGSA-N 1 2 292.354 2.323 20 30 CEEDLO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@H]1C ZINC000428985513 395157775 /nfs/dbraw/zinc/15/77/75/395157775.db2.gz VNXXTSMOEVJCMM-LRDDRELGSA-N 1 2 292.354 2.323 20 30 CEEDLO COc1cc[nH+]cc1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000431489919 395168301 /nfs/dbraw/zinc/16/83/01/395168301.db2.gz IJTNDUKLIPVNNJ-UHFFFAOYSA-N 1 2 284.275 2.482 20 30 CEEDLO COc1ccc(CNc2cccc(CO)[nH+]2)cc1C#N ZINC000432739991 395177373 /nfs/dbraw/zinc/17/73/73/395177373.db2.gz UOWVLBYHXACINX-UHFFFAOYSA-N 1 2 269.304 2.066 20 30 CEEDLO N#CCN1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000349977096 395178143 /nfs/dbraw/zinc/17/81/43/395178143.db2.gz QQWFHYGSEXYKCP-OWOJBTEDSA-N 1 2 277.318 2.119 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000293253624 395225650 /nfs/dbraw/zinc/22/56/50/395225650.db2.gz UBPVXRDHRLNBIO-ZDUSSCGKSA-N 1 2 274.364 2.367 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000293253624 395225655 /nfs/dbraw/zinc/22/56/55/395225655.db2.gz UBPVXRDHRLNBIO-ZDUSSCGKSA-N 1 2 274.364 2.367 20 30 CEEDLO CC1CCC(NC(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352442879 395253745 /nfs/dbraw/zinc/25/37/45/395253745.db2.gz YWFBOQWNSJZLIJ-UHFFFAOYSA-N 1 2 281.375 2.009 20 30 CEEDLO C=CC1CCN(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000519685000 395207716 /nfs/dbraw/zinc/20/77/16/395207716.db2.gz NOSVEWYTJSIFEV-AAEUAGOBSA-N 1 2 274.368 2.497 20 30 CEEDLO Cn1c[nH+]c2cc(Nc3ncc([N+](=O)[O-])cc3C#N)ccc21 ZINC000439701066 395279759 /nfs/dbraw/zinc/27/97/59/395279759.db2.gz VARDEGUQLLAOLR-UHFFFAOYSA-N 1 2 294.274 2.492 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000353067747 395286460 /nfs/dbraw/zinc/28/64/60/395286460.db2.gz ZAZJMAYNKHULJM-MRXNPFEDSA-N 1 2 282.347 2.428 20 30 CEEDLO CN(C(=O)c1ccc2[nH+]ccn2c1)c1ccc(C#N)cc1 ZINC000439918710 395293098 /nfs/dbraw/zinc/29/30/98/395293098.db2.gz CMMXWFLSOAQSOG-UHFFFAOYSA-N 1 2 276.299 2.483 20 30 CEEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1)C[C@H](C)C#N ZINC000353284862 395293505 /nfs/dbraw/zinc/29/35/05/395293505.db2.gz HBRZECDHSAIDLF-GFCCVEGCSA-N 1 2 260.337 2.455 20 30 CEEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1)C[C@H](C)C#N ZINC000353284862 395293507 /nfs/dbraw/zinc/29/35/07/395293507.db2.gz HBRZECDHSAIDLF-GFCCVEGCSA-N 1 2 260.337 2.455 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CC(OCCOC)C1 ZINC000354191319 395319048 /nfs/dbraw/zinc/31/90/48/395319048.db2.gz MXXMYIMYGIPKOR-UHFFFAOYSA-N 1 2 277.364 2.099 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411208101 395321087 /nfs/dbraw/zinc/32/10/87/395321087.db2.gz KORYAZLBVIHIBK-WFASDCNBSA-N 1 2 289.354 2.413 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411208101 395321092 /nfs/dbraw/zinc/32/10/92/395321092.db2.gz KORYAZLBVIHIBK-WFASDCNBSA-N 1 2 289.354 2.413 20 30 CEEDLO C[C@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352481965 395258974 /nfs/dbraw/zinc/25/89/74/395258974.db2.gz FTSJWXXUHYBZJH-ZDUSSCGKSA-N 1 2 289.354 2.191 20 30 CEEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000192223973 395376721 /nfs/dbraw/zinc/37/67/21/395376721.db2.gz LBQMUGQFASFFQP-CYBMUJFWSA-N 1 2 280.730 2.149 20 30 CEEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000192223973 395376722 /nfs/dbraw/zinc/37/67/22/395376722.db2.gz LBQMUGQFASFFQP-CYBMUJFWSA-N 1 2 280.730 2.149 20 30 CEEDLO C#CC[N@@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000192223979 395377050 /nfs/dbraw/zinc/37/70/50/395377050.db2.gz LBQMUGQFASFFQP-ZDUSSCGKSA-N 1 2 280.730 2.149 20 30 CEEDLO C#CC[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000192223979 395377053 /nfs/dbraw/zinc/37/70/53/395377053.db2.gz LBQMUGQFASFFQP-ZDUSSCGKSA-N 1 2 280.730 2.149 20 30 CEEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411740077 395337461 /nfs/dbraw/zinc/33/74/61/395337461.db2.gz OEBUNORDOPTLMM-CQSZACIVSA-N 1 2 294.395 2.114 20 30 CEEDLO COC(=O)C[C@@H]1COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411740077 395337465 /nfs/dbraw/zinc/33/74/65/395337465.db2.gz OEBUNORDOPTLMM-CQSZACIVSA-N 1 2 294.395 2.114 20 30 CEEDLO CC(C)(C)n1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000190971079 395344784 /nfs/dbraw/zinc/34/47/84/395344784.db2.gz QZOKBRKHHBSJNQ-UHFFFAOYSA-N 1 2 287.342 2.334 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000449506945 395551872 /nfs/dbraw/zinc/55/18/72/395551872.db2.gz ZSEIJUAORNHUHA-NSHDSACASA-N 1 2 265.382 2.262 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000449506945 395551875 /nfs/dbraw/zinc/55/18/75/395551875.db2.gz ZSEIJUAORNHUHA-NSHDSACASA-N 1 2 265.382 2.262 20 30 CEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000568646436 395564529 /nfs/dbraw/zinc/56/45/29/395564529.db2.gz GBBCFOGWLJFUDM-OAHLLOKOSA-N 1 2 285.391 2.408 20 30 CEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCC(C)(C)C#N)c1 ZINC000568646436 395564530 /nfs/dbraw/zinc/56/45/30/395564530.db2.gz GBBCFOGWLJFUDM-OAHLLOKOSA-N 1 2 285.391 2.408 20 30 CEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnns1 ZINC000451035086 395582505 /nfs/dbraw/zinc/58/25/05/395582505.db2.gz APHZZAIIJDVVPQ-UHFFFAOYSA-N 1 2 288.376 2.058 20 30 CEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cnns1 ZINC000451035086 395582506 /nfs/dbraw/zinc/58/25/06/395582506.db2.gz APHZZAIIJDVVPQ-UHFFFAOYSA-N 1 2 288.376 2.058 20 30 CEEDLO C=CC(C)(C)CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455389126 395631028 /nfs/dbraw/zinc/63/10/28/395631028.db2.gz SYCDSUZSSFDDAJ-NSHDSACASA-N 1 2 264.373 2.475 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2C#N)c2[nH+]ccn21 ZINC000575223514 395646896 /nfs/dbraw/zinc/64/68/96/395646896.db2.gz DNAXPYZXHQYYLY-RNCFNFMXSA-N 1 2 284.294 2.330 20 30 CEEDLO COC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459283689 395666034 /nfs/dbraw/zinc/66/60/34/395666034.db2.gz RLGAJAZMWQWTGQ-UHFFFAOYSA-N 1 2 275.308 2.077 20 30 CEEDLO N#Cc1ccc(OC2C[NH+](Cc3cccnc3)C2)cc1 ZINC000459604191 395666500 /nfs/dbraw/zinc/66/65/00/395666500.db2.gz BSQGCLKTJIZQTC-UHFFFAOYSA-N 1 2 265.316 2.216 20 30 CEEDLO COCC[N@H+](Cc1cc(C)n(C)n1)Cc1ccc(C#N)cc1 ZINC000487406011 395667276 /nfs/dbraw/zinc/66/72/76/395667276.db2.gz DSOCEAVOOKLNMI-UHFFFAOYSA-N 1 2 298.390 2.249 20 30 CEEDLO COCC[N@@H+](Cc1cc(C)n(C)n1)Cc1ccc(C#N)cc1 ZINC000487406011 395667277 /nfs/dbraw/zinc/66/72/77/395667277.db2.gz DSOCEAVOOKLNMI-UHFFFAOYSA-N 1 2 298.390 2.249 20 30 CEEDLO Cc1cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883955 395667522 /nfs/dbraw/zinc/66/75/22/395667522.db2.gz SZYIZRXDYAFSAL-CHWSQXEVSA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883955 395667523 /nfs/dbraw/zinc/66/75/23/395667523.db2.gz SZYIZRXDYAFSAL-CHWSQXEVSA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@@H]2c2nncn2C)ccc1C#N ZINC000488133006 395668109 /nfs/dbraw/zinc/66/81/09/395668109.db2.gz JZUHAONYVHOQLE-OAHLLOKOSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)ccc1C#N ZINC000488133006 395668110 /nfs/dbraw/zinc/66/81/10/395668110.db2.gz JZUHAONYVHOQLE-OAHLLOKOSA-N 1 2 281.363 2.332 20 30 CEEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000491395164 395669374 /nfs/dbraw/zinc/66/93/74/395669374.db2.gz QZQHNHVCNKQTKN-CQSZACIVSA-N 1 2 268.360 2.144 20 30 CEEDLO CO[C@@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccccc1 ZINC000425271130 400574339 /nfs/dbraw/zinc/57/43/39/400574339.db2.gz UXOJYPQBQCQOJM-MRXNPFEDSA-N 1 2 281.359 2.353 20 30 CEEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)ccc1C#N ZINC000488986380 400587205 /nfs/dbraw/zinc/58/72/05/400587205.db2.gz RVVAKURBZJRFHE-INIZCTEOSA-N 1 2 285.391 2.213 20 30 CEEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)ccc1C#N ZINC000488986380 400587207 /nfs/dbraw/zinc/58/72/07/400587207.db2.gz RVVAKURBZJRFHE-INIZCTEOSA-N 1 2 285.391 2.213 20 30 CEEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000646032106 400718129 /nfs/dbraw/zinc/71/81/29/400718129.db2.gz YWLFKVNLAXSVFO-KRWDZBQOSA-N 1 2 297.358 2.010 20 30 CEEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000646032106 400718134 /nfs/dbraw/zinc/71/81/34/400718134.db2.gz YWLFKVNLAXSVFO-KRWDZBQOSA-N 1 2 297.358 2.010 20 30 CEEDLO N#Cc1ccncc1NCCCNc1cccc[nH+]1 ZINC000359465184 155024802 /nfs/dbraw/zinc/02/48/02/155024802.db2.gz HOMSHDAIYKOUSC-UHFFFAOYSA-N 1 2 253.309 2.262 20 30 CEEDLO CC[C@@H]1CC[C@H](C)N1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329598185 287111110 /nfs/dbraw/zinc/11/11/10/287111110.db2.gz DAELIOKUXHCCHU-SDDRHHMPSA-N 1 2 276.384 2.444 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCn3cccc3[C@H]2C)nn1 ZINC000653484367 415009901 /nfs/dbraw/zinc/00/99/01/415009901.db2.gz DJZYSIPUAIERIS-CYBMUJFWSA-N 1 2 271.368 2.233 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCn3cccc3[C@H]2C)nn1 ZINC000653484367 415009904 /nfs/dbraw/zinc/00/99/04/415009904.db2.gz DJZYSIPUAIERIS-CYBMUJFWSA-N 1 2 271.368 2.233 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2oc(CC)nc2C)nn1 ZINC000657472907 414957546 /nfs/dbraw/zinc/95/75/46/414957546.db2.gz BVSCYMCXSJVFAE-UHFFFAOYSA-N 1 2 275.356 2.003 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)nn1 ZINC000653557113 415032971 /nfs/dbraw/zinc/03/29/71/415032971.db2.gz CIGTXYVMVKFARU-NEPJUHHUSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)nn1 ZINC000653557113 415032976 /nfs/dbraw/zinc/03/29/76/415032976.db2.gz CIGTXYVMVKFARU-NEPJUHHUSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cc(F)ccc1F)[C@H](C)COC ZINC000661243027 415154887 /nfs/dbraw/zinc/15/48/87/415154887.db2.gz IJBCBDNHDCCRGS-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)[C@H](C)COC ZINC000661243027 415154893 /nfs/dbraw/zinc/15/48/93/415154893.db2.gz IJBCBDNHDCCRGS-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661232959 415145814 /nfs/dbraw/zinc/14/58/14/415145814.db2.gz RNEFRCICTOJCBK-UHFFFAOYSA-N 1 2 250.346 2.153 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661232959 415145820 /nfs/dbraw/zinc/14/58/20/415145820.db2.gz RNEFRCICTOJCBK-UHFFFAOYSA-N 1 2 250.346 2.153 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440590 415264225 /nfs/dbraw/zinc/26/42/25/415264225.db2.gz RADZOPALGFUGFE-OAHLLOKOSA-N 1 2 274.364 2.499 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440590 415264232 /nfs/dbraw/zinc/26/42/32/415264232.db2.gz RADZOPALGFUGFE-OAHLLOKOSA-N 1 2 274.364 2.499 20 30 CEEDLO C=CCCCN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662097442 415626884 /nfs/dbraw/zinc/62/68/84/415626884.db2.gz XJJSCXFJZMBDAW-LLVKDONJSA-N 1 2 250.346 2.089 20 30 CEEDLO C=C(Cn1c[nH+]c2cc(F)c(F)cc21)C(=O)OCC ZINC000070381040 175901995 /nfs/dbraw/zinc/90/19/95/175901995.db2.gz SEYFRIXEWRBAEB-UHFFFAOYSA-N 1 2 266.247 2.434 20 30 CEEDLO CC#CC[NH2+]Cc1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000656436910 415701181 /nfs/dbraw/zinc/70/11/81/415701181.db2.gz CXOJWKBYHAIJRZ-UHFFFAOYSA-N 1 2 294.280 2.399 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329083977 227288252 /nfs/dbraw/zinc/28/82/52/227288252.db2.gz SXNYRVPWUVEJIS-CJNGLKHVSA-N 1 2 296.411 2.155 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329083977 227288256 /nfs/dbraw/zinc/28/82/56/227288256.db2.gz SXNYRVPWUVEJIS-CJNGLKHVSA-N 1 2 296.411 2.155 20 30 CEEDLO CCn1cnnc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000329118485 227308658 /nfs/dbraw/zinc/30/86/58/227308658.db2.gz ONDVPVQIYBBXGX-LBPRGKRZSA-N 1 2 299.378 2.333 20 30 CEEDLO CCn1cnnc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000329118485 227308665 /nfs/dbraw/zinc/30/86/65/227308665.db2.gz ONDVPVQIYBBXGX-LBPRGKRZSA-N 1 2 299.378 2.333 20 30 CEEDLO Cc1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nc(C)n1 ZINC000329155807 227330450 /nfs/dbraw/zinc/33/04/50/227330450.db2.gz VKAUOKUTKDKDPX-LBPRGKRZSA-N 1 2 285.351 2.009 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)N1CCc2ccccc21 ZINC000331685354 228118411 /nfs/dbraw/zinc/11/84/11/228118411.db2.gz UZQOVQGJDXRWJE-NWANDNLSSA-N 1 2 283.375 2.246 20 30 CEEDLO C[C@H](C1CC1)N(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330286407 228093350 /nfs/dbraw/zinc/09/33/50/228093350.db2.gz ZVLVNFWXABNJBV-YPMHNXCESA-N 1 2 288.395 2.375 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330286407 228093351 /nfs/dbraw/zinc/09/33/51/228093351.db2.gz ZVLVNFWXABNJBV-YPMHNXCESA-N 1 2 288.395 2.375 20 30 CEEDLO C=CCC1(NC(=O)Nc2cc[nH+]cc2C)CCOCC1 ZINC000666494777 419694332 /nfs/dbraw/zinc/69/43/32/419694332.db2.gz WXACMIFGSMCWGM-UHFFFAOYSA-N 1 2 275.352 2.059 20 30 CEEDLO C=CCCC[NH2+][C@@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000297681468 260131974 /nfs/dbraw/zinc/13/19/74/260131974.db2.gz PHAATRBXDMIJNZ-OAHLLOKOSA-N 1 2 275.348 2.391 20 30 CEEDLO C=CC[NH+](CC=C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000297923763 260138355 /nfs/dbraw/zinc/13/83/55/260138355.db2.gz QRQVPKOMQBYVJK-CYBMUJFWSA-N 1 2 287.388 2.399 20 30 CEEDLO CC#CC[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000298031933 260141081 /nfs/dbraw/zinc/14/10/81/260141081.db2.gz CIXADPJWAQTMNS-UHFFFAOYSA-N 1 2 275.739 2.444 20 30 CEEDLO CC#CC[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000298031933 260141082 /nfs/dbraw/zinc/14/10/82/260141082.db2.gz CIXADPJWAQTMNS-UHFFFAOYSA-N 1 2 275.739 2.444 20 30 CEEDLO C=CCCCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298512675 260156008 /nfs/dbraw/zinc/15/60/08/260156008.db2.gz BHAHASNYCJIMEG-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C=CCCCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298512675 260156010 /nfs/dbraw/zinc/15/60/10/260156010.db2.gz BHAHASNYCJIMEG-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C#CC[C@H](Nc1cc(NC[C@@H](C)O)[nH+]cn1)c1ccccc1 ZINC000298975911 260170216 /nfs/dbraw/zinc/17/02/16/260170216.db2.gz QVAPZWNPUXSTQN-HIFRSBDPSA-N 1 2 296.374 2.446 20 30 CEEDLO C#CC[C@H](Nc1cc(NC[C@@H](C)O)nc[nH+]1)c1ccccc1 ZINC000298975911 260170218 /nfs/dbraw/zinc/17/02/18/260170218.db2.gz QVAPZWNPUXSTQN-HIFRSBDPSA-N 1 2 296.374 2.446 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000517583100 260195100 /nfs/dbraw/zinc/19/51/00/260195100.db2.gz HKEQYHDNRDCGII-GHMZBOCLSA-N 1 2 289.335 2.024 20 30 CEEDLO COC(=O)N1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000066887821 260249631 /nfs/dbraw/zinc/24/96/31/260249631.db2.gz IEQKOQUGBKBJNN-XNTDXEJSSA-N 1 2 262.309 2.042 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000408158965 260317282 /nfs/dbraw/zinc/31/72/82/260317282.db2.gz NJKUFGDPZVNUED-UHFFFAOYSA-N 1 2 277.412 2.309 20 30 CEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000155260514 261099781 /nfs/dbraw/zinc/09/97/81/261099781.db2.gz NLZOUVNLLBGIRI-GOSISDBHSA-N 1 2 292.386 2.464 20 30 CEEDLO N#CCN(C(=O)Cc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000172454711 261501518 /nfs/dbraw/zinc/50/15/18/261501518.db2.gz AQRPBNOLCJHOFD-UHFFFAOYSA-N 1 2 282.347 2.172 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+][C@@H](CC)CC#N)o1 ZINC000184087018 262007954 /nfs/dbraw/zinc/00/79/54/262007954.db2.gz JNOVZCFMFYMHFT-JTQLQIEISA-N 1 2 250.298 2.238 20 30 CEEDLO CCc1nn(C)c(Cl)c1C[NH2+][C@H](CC)CC#N ZINC000184094688 262009406 /nfs/dbraw/zinc/00/94/06/262009406.db2.gz MOELJEUKDWYGIK-SECBINFHSA-N 1 2 254.765 2.418 20 30 CEEDLO C[C@@H]1C[C@H](C=[NH+]n2ccnn2)CCN1C(=O)OC(C)(C)C ZINC000497256785 262125791 /nfs/dbraw/zinc/12/57/91/262125791.db2.gz IRSYTPQGIDDWNZ-VXGBXAGGSA-N 1 2 293.371 2.148 20 30 CEEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365372457 262362274 /nfs/dbraw/zinc/36/22/74/262362274.db2.gz PSCXSVGMJPAFDK-ZIAGYGMSSA-N 1 2 273.380 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20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CCC[C@H]2CCCCO2)c1O ZINC000273797176 263019397 /nfs/dbraw/zinc/01/93/97/263019397.db2.gz XYEGETCDPUQLGN-NGWPFTMJSA-N 1 2 292.379 2.356 20 30 CEEDLO N#CC1CCC(CNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000282888737 263079447 /nfs/dbraw/zinc/07/94/47/263079447.db2.gz ZRCJNFZADJKVGZ-UHFFFAOYSA-N 1 2 296.374 2.323 20 30 CEEDLO NC(=[NH+]OCc1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000284530217 263087388 /nfs/dbraw/zinc/08/73/88/263087388.db2.gz UZUAKEPPSQRZDG-NSHDSACASA-N 1 2 286.278 2.256 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290695619 263118135 /nfs/dbraw/zinc/11/81/35/263118135.db2.gz MZQFJNSFQYYMQO-JTQLQIEISA-N 1 2 257.297 2.100 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1C ZINC000292350079 263131383 /nfs/dbraw/zinc/13/13/83/263131383.db2.gz XJRWXIXAAZUMRP-MRXNPFEDSA-N 1 2 288.391 2.445 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1C ZINC000292350079 263131384 /nfs/dbraw/zinc/13/13/84/263131384.db2.gz XJRWXIXAAZUMRP-MRXNPFEDSA-N 1 2 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/nfs/dbraw/zinc/37/40/34/263374034.db2.gz SSILCLHTXDGSNV-UHFFFAOYSA-N 1 2 287.338 2.450 20 30 CEEDLO C=C(C)CCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000342010618 263377296 /nfs/dbraw/zinc/37/72/96/263377296.db2.gz AHRKDPNMPFQWHK-ZDUSSCGKSA-N 1 2 270.442 2.238 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2csc(C)n2)CC1 ZINC000341989095 263380996 /nfs/dbraw/zinc/38/09/96/263380996.db2.gz LDAXFUICNWSROH-UHFFFAOYSA-N 1 2 265.382 2.204 20 30 CEEDLO C=C(C)CN(CC)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000342404027 263430905 /nfs/dbraw/zinc/43/09/05/263430905.db2.gz GSKGJIDCSQDJJQ-UHFFFAOYSA-N 1 2 274.355 2.388 20 30 CEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330833768 264050309 /nfs/dbraw/zinc/05/03/09/264050309.db2.gz KPPJLOVNPNOAQX-YNEHKIRRSA-N 1 2 289.383 2.073 20 30 CEEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330923405 264094107 /nfs/dbraw/zinc/09/41/07/264094107.db2.gz DFWQJRZZLJODEK-CQSZACIVSA-N 1 2 298.390 2.164 20 30 CEEDLO CC(C)(C)[C@@H](C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 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CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000356467634 266119457 /nfs/dbraw/zinc/11/94/57/266119457.db2.gz BOWDYMSRECVSJF-KBPBESRZSA-N 1 2 285.391 2.446 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000356467634 266119460 /nfs/dbraw/zinc/11/94/60/266119460.db2.gz BOWDYMSRECVSJF-KBPBESRZSA-N 1 2 285.391 2.446 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245722542 266131610 /nfs/dbraw/zinc/13/16/10/266131610.db2.gz AXIZLFOUJWZQBI-BBRMVZONSA-N 1 2 296.374 2.145 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245722542 266131615 /nfs/dbraw/zinc/13/16/15/266131615.db2.gz AXIZLFOUJWZQBI-BBRMVZONSA-N 1 2 296.374 2.145 20 30 CEEDLO Cc1ccc2[nH+]c(CSc3nnc(CC#N)n3C)cn2c1 ZINC000357059138 266239425 /nfs/dbraw/zinc/23/94/25/266239425.db2.gz SMNIQNNZYQVNDF-UHFFFAOYSA-N 1 2 298.375 2.130 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357940895 266387913 /nfs/dbraw/zinc/38/79/13/266387913.db2.gz 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267248971 /nfs/dbraw/zinc/24/89/71/267248971.db2.gz YCAQTLODKPHTCE-ARFHVFGLSA-N 1 2 291.395 2.090 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)Nc1cc(C#N)ccc1OC ZINC000454633499 267257577 /nfs/dbraw/zinc/25/75/77/267257577.db2.gz AWRBVVKQSVGKDI-UHFFFAOYSA-N 1 2 299.334 2.105 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(F)c1C#N ZINC000456365018 267257857 /nfs/dbraw/zinc/25/78/57/267257857.db2.gz VQOOKYNDPBXARE-SNVBAGLBSA-N 1 2 286.310 2.405 20 30 CEEDLO CCOc1ncnc2c1C[N@H+](CCC(C)(C)C#N)CC2 ZINC000371209995 267371541 /nfs/dbraw/zinc/37/15/41/267371541.db2.gz XDUZDAQAALCHON-UHFFFAOYSA-N 1 2 274.368 2.173 20 30 CEEDLO CCOc1ncnc2c1C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000371209995 267371542 /nfs/dbraw/zinc/37/15/42/267371542.db2.gz XDUZDAQAALCHON-UHFFFAOYSA-N 1 2 274.368 2.173 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372180275 267524119 /nfs/dbraw/zinc/52/41/19/267524119.db2.gz IJABUPSLUWPZEU-CYBMUJFWSA-N 1 2 288.395 2.234 20 30 CEEDLO C=CCCOCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000122558262 267869852 /nfs/dbraw/zinc/86/98/52/267869852.db2.gz OFAAXCQJDZBPKI-ZDUSSCGKSA-N 1 2 292.383 2.239 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375631758 267880614 /nfs/dbraw/zinc/88/06/14/267880614.db2.gz YDPHBAPAJXHWOZ-AWEZNQCLSA-N 1 2 299.378 2.421 20 30 CEEDLO CCCN(CC#N)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000376627599 268003805 /nfs/dbraw/zinc/00/38/05/268003805.db2.gz OWQBNDUSRWSZCL-GFCCVEGCSA-N 1 2 288.395 2.400 20 30 CEEDLO CCCN(CC#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000376627599 268003807 /nfs/dbraw/zinc/00/38/07/268003807.db2.gz OWQBNDUSRWSZCL-GFCCVEGCSA-N 1 2 288.395 2.400 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cc(OC)c(OC)c(OC)c1 ZINC000123253709 268019424 /nfs/dbraw/zinc/01/94/24/268019424.db2.gz SYHMDKNVHJLZOS-UHFFFAOYSA-N 1 2 278.352 2.448 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cc(OC)c(OC)c(OC)c1 ZINC000123253709 268019425 /nfs/dbraw/zinc/01/94/25/268019425.db2.gz SYHMDKNVHJLZOS-UHFFFAOYSA-N 1 2 278.352 2.448 20 30 CEEDLO Cc1ccoc1C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429357124 268066137 /nfs/dbraw/zinc/06/61/37/268066137.db2.gz XYIQRNHQIBGRIA-HNNXBMFYSA-N 1 2 283.331 2.118 20 30 CEEDLO Cc1ccoc1C[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429357124 268066138 /nfs/dbraw/zinc/06/61/38/268066138.db2.gz XYIQRNHQIBGRIA-HNNXBMFYSA-N 1 2 283.331 2.118 20 30 CEEDLO Cc1noc(C23CC(C2)C[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC000528622558 268097313 /nfs/dbraw/zinc/09/73/13/268097313.db2.gz NYTCFKDWXJGJGU-UHFFFAOYSA-N 1 2 280.331 2.371 20 30 CEEDLO Cc1noc(C23CC(C2)C[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC000528622558 268097314 /nfs/dbraw/zinc/09/73/14/268097314.db2.gz NYTCFKDWXJGJGU-UHFFFAOYSA-N 1 2 280.331 2.371 20 30 CEEDLO CCOCCOC1C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459470753 269670506 /nfs/dbraw/zinc/67/05/06/269670506.db2.gz VWUOSHOEEBFHNX-UHFFFAOYSA-N 1 2 274.364 2.104 20 30 CEEDLO CCOCCC1(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425244489 271145609 /nfs/dbraw/zinc/14/56/09/271145609.db2.gz HKTYMIBYOGVKIL-UHFFFAOYSA-N 1 2 259.353 2.302 20 30 CEEDLO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000425253605 271147700 /nfs/dbraw/zinc/14/77/00/271147700.db2.gz LIYDXAQNKOYGIK-VXGBXAGGSA-N 1 2 299.296 2.259 20 30 CEEDLO Cc1cc(N2CC[C@](CO)(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425265724 271150008 /nfs/dbraw/zinc/15/00/08/271150008.db2.gz FSWRHJUHTWAERG-SFHVURJKSA-N 1 2 293.370 2.402 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000295962552 277819402 /nfs/dbraw/zinc/81/94/02/277819402.db2.gz VFNAHIJSSLPNDB-UHFFFAOYSA-N 1 2 295.452 2.224 20 30 CEEDLO CC(C)c1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)nn1C ZINC000330314215 278005598 /nfs/dbraw/zinc/00/55/98/278005598.db2.gz PBJVZBOWGZTKLC-LLVKDONJSA-N 1 2 287.367 2.060 20 30 CEEDLO Cc1nnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000134118404 279225415 /nfs/dbraw/zinc/22/54/15/279225415.db2.gz URWWPFOKXDQJJJ-IAQYHMDHSA-N 1 2 296.378 2.249 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)C[C@H](C)S1 ZINC000336621150 288223590 /nfs/dbraw/zinc/22/35/90/288223590.db2.gz BGROITJVEPPXFF-DTORHVGOSA-N 1 2 253.396 2.341 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)C[C@H](C)S1 ZINC000336621150 288223593 /nfs/dbraw/zinc/22/35/93/288223593.db2.gz BGROITJVEPPXFF-DTORHVGOSA-N 1 2 253.396 2.341 20 30 CEEDLO N#Cc1cnccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000545239882 298332269 /nfs/dbraw/zinc/33/22/69/298332269.db2.gz KUOHWLSUBCTCDR-UHFFFAOYSA-N 1 2 283.722 2.288 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572660032 327629084 /nfs/dbraw/zinc/62/90/84/327629084.db2.gz YFJPMROJOMCMTO-QWRGUYRKSA-N 1 2 290.323 2.204 20 30 CEEDLO CC1(C)C[NH+](CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000580326388 327821238 /nfs/dbraw/zinc/82/12/38/327821238.db2.gz GZTPOTAOEWWDFT-ZDUSSCGKSA-N 1 2 291.782 2.363 20 30 CEEDLO CO[C@]1(C)C[C@H](Nc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000575797298 314221480 /nfs/dbraw/zinc/22/14/80/314221480.db2.gz CDLOOKASOJSINX-DZGCQCFKSA-N 1 2 259.353 2.299 20 30 CEEDLO CO[C@]1(C)C[C@@H](Nc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000575797300 314221731 /nfs/dbraw/zinc/22/17/31/314221731.db2.gz CDLOOKASOJSINX-UKRRQHHQSA-N 1 2 259.353 2.299 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000576402578 314272391 /nfs/dbraw/zinc/27/23/91/314272391.db2.gz HUDDGZFSHJUEKK-IJLUTSLNSA-N 1 2 289.335 2.464 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000576402578 314272394 /nfs/dbraw/zinc/27/23/94/314272394.db2.gz HUDDGZFSHJUEKK-IJLUTSLNSA-N 1 2 289.335 2.464 20 30 CEEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000338257934 327972469 /nfs/dbraw/zinc/97/24/69/327972469.db2.gz NAVFZFIQTJBIMI-CQSZACIVSA-N 1 2 294.782 2.016 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264012839 328156954 /nfs/dbraw/zinc/15/69/54/328156954.db2.gz BUSIPHVSQUTWHS-ZDUSSCGKSA-N 1 2 282.347 2.306 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000268336226 328184015 /nfs/dbraw/zinc/18/40/15/328184015.db2.gz YWMOOBAZVDPPOU-NOZJJQNGSA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000268336226 328184016 /nfs/dbraw/zinc/18/40/16/328184016.db2.gz YWMOOBAZVDPPOU-NOZJJQNGSA-N 1 2 254.280 2.232 20 30 CEEDLO CC(C)(C#N)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000278842828 328230921 /nfs/dbraw/zinc/23/09/21/328230921.db2.gz KPEBTBGFNMRGFK-LLVKDONJSA-N 1 2 260.341 2.403 20 30 CEEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000292398745 328269878 /nfs/dbraw/zinc/26/98/78/328269878.db2.gz SZDAXYMXEDHZSL-HNNXBMFYSA-N 1 2 277.368 2.074 20 30 CEEDLO Cc1ccoc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000292398745 328269879 /nfs/dbraw/zinc/26/98/79/328269879.db2.gz SZDAXYMXEDHZSL-HNNXBMFYSA-N 1 2 277.368 2.074 20 30 CEEDLO Cc1noc(C2CCN(c3cc(C)[nH+]cc3C#N)CC2)n1 ZINC000580829904 322347817 /nfs/dbraw/zinc/34/78/17/322347817.db2.gz ZFTRTTOFTDYVRH-UHFFFAOYSA-N 1 2 283.335 2.337 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000583939963 326802841 /nfs/dbraw/zinc/80/28/41/326802841.db2.gz KUHONTQCENYGCC-UHFFFAOYSA-N 1 2 268.320 2.255 20 30 CEEDLO CCC[C@H](C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000530640243 326883534 /nfs/dbraw/zinc/88/35/34/326883534.db2.gz UMFOWNKCVSTGOA-GFCCVEGCSA-N 1 2 270.336 2.153 20 30 CEEDLO N#CCC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000530675528 326885864 /nfs/dbraw/zinc/88/58/64/326885864.db2.gz QQQJOSRKFSZISY-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299632507 326936155 /nfs/dbraw/zinc/93/61/55/326936155.db2.gz GZJJOSACZJOLOL-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000584151738 327050713 /nfs/dbraw/zinc/05/07/13/327050713.db2.gz TWEVFDFFPADWGF-STQMWFEESA-N 1 2 297.362 2.166 20 30 CEEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000584151738 327050715 /nfs/dbraw/zinc/05/07/15/327050715.db2.gz TWEVFDFFPADWGF-STQMWFEESA-N 1 2 297.362 2.166 20 30 CEEDLO NC(=NO)[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000313421558 327128737 /nfs/dbraw/zinc/12/87/37/327128737.db2.gz CGENCNCKKBHDQT-OAHLLOKOSA-N 1 2 284.363 2.336 20 30 CEEDLO NC(=NO)[C@H]1CCCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000313421558 327128739 /nfs/dbraw/zinc/12/87/39/327128739.db2.gz CGENCNCKKBHDQT-OAHLLOKOSA-N 1 2 284.363 2.336 20 30 CEEDLO N#CCCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000566160745 327151082 /nfs/dbraw/zinc/15/10/82/327151082.db2.gz PDJHJZBOFRHDOK-UHFFFAOYSA-N 1 2 265.748 2.232 20 30 CEEDLO N#CCCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000566160745 327151084 /nfs/dbraw/zinc/15/10/84/327151084.db2.gz PDJHJZBOFRHDOK-UHFFFAOYSA-N 1 2 265.748 2.232 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000560232529 327291528 /nfs/dbraw/zinc/29/15/28/327291528.db2.gz AOCMXLCHNJZJKJ-NEPJUHHUSA-N 1 2 260.341 2.054 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000560232529 327291530 /nfs/dbraw/zinc/29/15/30/327291530.db2.gz AOCMXLCHNJZJKJ-NEPJUHHUSA-N 1 2 260.341 2.054 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000583389138 327339326 /nfs/dbraw/zinc/33/93/26/327339326.db2.gz BZVVGHACSSYLRU-YPMHNXCESA-N 1 2 275.327 2.213 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579124928 327356885 /nfs/dbraw/zinc/35/68/85/327356885.db2.gz YKROPEKMPGLJMM-LBPRGKRZSA-N 1 2 258.281 2.248 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 ZINC000566428306 327360993 /nfs/dbraw/zinc/36/09/93/327360993.db2.gz DQBKUNNFMFYFDQ-GXTWGEPZSA-N 1 2 271.364 2.246 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000566428528 327361123 /nfs/dbraw/zinc/36/11/23/327361123.db2.gz HRYUOLNQDZGLAF-RYUDHWBXSA-N 1 2 288.376 2.007 20 30 CEEDLO CC[C@H](CC(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570635798 327607314 /nfs/dbraw/zinc/60/73/14/327607314.db2.gz WNJJHVDWMBSDGP-TZMCWYRMSA-N 1 2 253.390 2.019 20 30 CEEDLO N#CC[C@@H](CC(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000378112747 329040344 /nfs/dbraw/zinc/04/03/44/329040344.db2.gz OVTTYROLYKPGQI-HNNXBMFYSA-N 1 2 294.358 2.313 20 30 CEEDLO Cc1noc(C2(C)CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000378560413 329054883 /nfs/dbraw/zinc/05/48/83/329054883.db2.gz AZEQZWLEMKWVOS-CYBMUJFWSA-N 1 2 287.367 2.175 20 30 CEEDLO C#CCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000173330674 329146009 /nfs/dbraw/zinc/14/60/09/329146009.db2.gz QRAVMCCDQVBVNS-GFCCVEGCSA-N 1 2 260.341 2.060 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000176253379 329172769 /nfs/dbraw/zinc/17/27/69/329172769.db2.gz DJUNDLZFQJAUER-ZDUSSCGKSA-N 1 2 289.423 2.402 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+](CCC#N)CC1CC1)C1CC1 ZINC000176253379 329172770 /nfs/dbraw/zinc/17/27/70/329172770.db2.gz DJUNDLZFQJAUER-ZDUSSCGKSA-N 1 2 289.423 2.402 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000179775932 329212220 /nfs/dbraw/zinc/21/22/20/329212220.db2.gz DHWRSNKVLPDIEH-STQMWFEESA-N 1 2 261.369 2.307 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000180402225 329215817 /nfs/dbraw/zinc/21/58/17/329215817.db2.gz LFHXATFPRCVWIV-OAHLLOKOSA-N 1 2 287.407 2.395 20 30 CEEDLO C=C(C)CN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000180419590 329216450 /nfs/dbraw/zinc/21/64/50/329216450.db2.gz QHOXCDHMCAWZEN-UHFFFAOYSA-N 1 2 288.395 2.399 20 30 CEEDLO CO[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)C12CCC2 ZINC000575603441 329530018 /nfs/dbraw/zinc/53/00/18/329530018.db2.gz AESAMMSHNOITTK-KGLIPLIRSA-N 1 2 257.337 2.053 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)N(C)c1nc2ccccc2s1 ZINC000267227215 330064618 /nfs/dbraw/zinc/06/46/18/330064618.db2.gz BSZAJGUHIFYHEM-UHFFFAOYSA-N 1 2 287.388 2.214 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)N(C)c1nc2ccccc2s1 ZINC000267227215 330064620 /nfs/dbraw/zinc/06/46/20/330064620.db2.gz BSZAJGUHIFYHEM-UHFFFAOYSA-N 1 2 287.388 2.214 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000580424831 330130175 /nfs/dbraw/zinc/13/01/75/330130175.db2.gz DJBHNBAWAPDDQJ-NEPJUHHUSA-N 1 2 289.408 2.134 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000580424831 330130176 /nfs/dbraw/zinc/13/01/76/330130176.db2.gz DJBHNBAWAPDDQJ-NEPJUHHUSA-N 1 2 289.408 2.134 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2nn(CC)c3ccccc23)nn1 ZINC000424166239 330309243 /nfs/dbraw/zinc/30/92/43/330309243.db2.gz AAURAMYGBZHHFJ-UHFFFAOYSA-N 1 2 296.378 2.124 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC)cc2F)nn1 ZINC000424292401 330335118 /nfs/dbraw/zinc/33/51/18/330335118.db2.gz GWFICNBYLNOQNF-NSHDSACASA-N 1 2 290.342 2.463 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cncnc1 ZINC000120526821 330389336 /nfs/dbraw/zinc/38/93/36/330389336.db2.gz NQCUPHWMTKTWMG-UHFFFAOYSA-N 1 2 255.296 2.251 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cncnc1 ZINC000120526821 330389337 /nfs/dbraw/zinc/38/93/37/330389337.db2.gz NQCUPHWMTKTWMG-UHFFFAOYSA-N 1 2 255.296 2.251 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121182614 330397460 /nfs/dbraw/zinc/39/74/60/330397460.db2.gz MONGCEDCSWMSAE-UHFFFAOYSA-N 1 2 263.728 2.268 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121182614 330397461 /nfs/dbraw/zinc/39/74/61/330397461.db2.gz MONGCEDCSWMSAE-UHFFFAOYSA-N 1 2 263.728 2.268 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cc2ccccc2o1 ZINC000520820144 330462190 /nfs/dbraw/zinc/46/21/90/330462190.db2.gz ZSVWMPYTSCOLOL-KRWDZBQOSA-N 1 2 299.374 2.325 20 30 CEEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000450918290 331007283 /nfs/dbraw/zinc/00/72/83/331007283.db2.gz VEFRWCYSCTUTRZ-IIAWOOMASA-N 1 2 278.396 2.339 20 30 CEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000450918290 331007284 /nfs/dbraw/zinc/00/72/84/331007284.db2.gz VEFRWCYSCTUTRZ-IIAWOOMASA-N 1 2 278.396 2.339 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@]1(C#N)C[C@@H]1C ZINC000451192941 331019809 /nfs/dbraw/zinc/01/98/09/331019809.db2.gz WWHFIWKJEYCRNE-BBRMVZONSA-N 1 2 288.395 2.234 20 30 CEEDLO C=CCOc1ccc(C(=O)NCc2[nH+]ccn2CC)cc1 ZINC000452571206 331069401 /nfs/dbraw/zinc/06/94/01/331069401.db2.gz BIENTFDIZVRYAZ-UHFFFAOYSA-N 1 2 285.347 2.398 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452751702 331075118 /nfs/dbraw/zinc/07/51/18/331075118.db2.gz HFVBOZGNZNTBIY-HNNXBMFYSA-N 1 2 277.368 2.387 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000454535695 331148291 /nfs/dbraw/zinc/14/82/91/331148291.db2.gz QJRYVUHGTGBJRN-UHFFFAOYSA-N 1 2 276.384 2.395 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456408920 331192281 /nfs/dbraw/zinc/19/22/81/331192281.db2.gz ZOHSJPWPQUOABI-RYUDHWBXSA-N 1 2 265.357 2.061 20 30 CEEDLO C=CCC[C@H](CO)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000456779012 331203174 /nfs/dbraw/zinc/20/31/74/331203174.db2.gz PBKVFAWQORJXGU-CQSZACIVSA-N 1 2 299.374 2.238 20 30 CEEDLO CC(C)(CC#N)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000457473028 331224047 /nfs/dbraw/zinc/22/40/47/331224047.db2.gz HKXBQWTVZQMODA-UHFFFAOYSA-N 1 2 285.351 2.073 20 30 CEEDLO C=C(CC)CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000459070247 331269072 /nfs/dbraw/zinc/26/90/72/331269072.db2.gz FVRHWENFWRZGJB-CQSZACIVSA-N 1 2 290.411 2.350 20 30 CEEDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459485791 331284410 /nfs/dbraw/zinc/28/44/10/331284410.db2.gz UERODJSFHNUPLZ-ZWNOBZJWSA-N 1 2 275.308 2.385 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cn(C)nc1C(C)(C)C ZINC000490914137 332128067 /nfs/dbraw/zinc/12/80/67/332128067.db2.gz FYZBJLLSOMPXFN-UHFFFAOYSA-N 1 2 257.381 2.176 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cn(C)nc1C(C)(C)C ZINC000490914137 332128068 /nfs/dbraw/zinc/12/80/68/332128068.db2.gz FYZBJLLSOMPXFN-UHFFFAOYSA-N 1 2 257.381 2.176 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1c(C)nn(-c2ccccn2)c1C ZINC000491068270 332145174 /nfs/dbraw/zinc/14/51/74/332145174.db2.gz NLKLACSPYAWDKW-UHFFFAOYSA-N 1 2 292.386 2.343 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1c(C)nn(-c2ccccn2)c1C ZINC000491068270 332145175 /nfs/dbraw/zinc/14/51/75/332145175.db2.gz NLKLACSPYAWDKW-UHFFFAOYSA-N 1 2 292.386 2.343 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000491231489 332170952 /nfs/dbraw/zinc/17/09/52/332170952.db2.gz UEAWWCFWPSGAEC-UHFFFAOYSA-N 1 2 286.419 2.169 20 30 CEEDLO C#CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000491231489 332170953 /nfs/dbraw/zinc/17/09/53/332170953.db2.gz UEAWWCFWPSGAEC-UHFFFAOYSA-N 1 2 286.419 2.169 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491274966 332178628 /nfs/dbraw/zinc/17/86/28/332178628.db2.gz BQGGVXNIOXPDGK-ZIAGYGMSSA-N 1 2 288.395 2.170 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000491288434 332182394 /nfs/dbraw/zinc/18/23/94/332182394.db2.gz RZQRHHYOKLBHDQ-ZDUSSCGKSA-N 1 2 269.348 2.422 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000491288434 332182395 /nfs/dbraw/zinc/18/23/95/332182395.db2.gz RZQRHHYOKLBHDQ-ZDUSSCGKSA-N 1 2 269.348 2.422 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)C1CC1 ZINC000491315359 332188556 /nfs/dbraw/zinc/18/85/56/332188556.db2.gz MZDKDCADRLGBCV-UHFFFAOYSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1F)C1CC1 ZINC000491315359 332188557 /nfs/dbraw/zinc/18/85/57/332188557.db2.gz MZDKDCADRLGBCV-UHFFFAOYSA-N 1 2 260.312 2.170 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000491417733 332208011 /nfs/dbraw/zinc/20/80/11/332208011.db2.gz ONRZKMZDAUBRJF-CYBMUJFWSA-N 1 2 288.395 2.091 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000491451594 332213548 /nfs/dbraw/zinc/21/35/48/332213548.db2.gz GRJZIZYUJDQYJW-DOTOQJQBSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000491451594 332213550 /nfs/dbraw/zinc/21/35/50/332213550.db2.gz GRJZIZYUJDQYJW-DOTOQJQBSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491569428 332240270 /nfs/dbraw/zinc/24/02/70/332240270.db2.gz VYXVHVJIERJYJS-RNVIBTMRSA-N 1 2 279.343 2.366 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cn1nc(C)c(Br)c1C ZINC000491643002 332242465 /nfs/dbraw/zinc/24/24/65/332242465.db2.gz CQTFPCHRCNPNRA-MRVPVSSYSA-N 1 2 270.174 2.173 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cn1nc(C)c(Br)c1C ZINC000491643002 332242466 /nfs/dbraw/zinc/24/24/66/332242466.db2.gz CQTFPCHRCNPNRA-MRVPVSSYSA-N 1 2 270.174 2.173 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)C(C)C ZINC000491654302 332266683 /nfs/dbraw/zinc/26/66/83/332266683.db2.gz FXLNMCWCIFXEEW-CQSZACIVSA-N 1 2 259.353 2.155 20 30 CEEDLO C#C[C@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000491664839 332273739 /nfs/dbraw/zinc/27/37/39/332273739.db2.gz OOOUTDBYWGCMHJ-AWEZNQCLSA-N 1 2 288.395 2.019 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000491708310 332300824 /nfs/dbraw/zinc/30/08/24/332300824.db2.gz HOLGKVAURLLSCK-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000491708310 332300826 /nfs/dbraw/zinc/30/08/26/332300826.db2.gz HOLGKVAURLLSCK-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491723208 332307951 /nfs/dbraw/zinc/30/79/51/332307951.db2.gz APZCDFPVIIFKRI-UKRRQHHQSA-N 1 2 296.374 2.173 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000491727766 332310764 /nfs/dbraw/zinc/31/07/64/332310764.db2.gz LNQJABKPHCHSAM-JTQLQIEISA-N 1 2 282.290 2.180 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000491727766 332310765 /nfs/dbraw/zinc/31/07/65/332310765.db2.gz LNQJABKPHCHSAM-JTQLQIEISA-N 1 2 282.290 2.180 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](Cc2cccc(F)c2)OC1=O ZINC000491738339 332317941 /nfs/dbraw/zinc/31/79/41/332317941.db2.gz CGIYTCPFPZWTHX-WFASDCNBSA-N 1 2 290.338 2.100 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](Cc2cccc(F)c2)OC1=O ZINC000491738339 332317943 /nfs/dbraw/zinc/31/79/43/332317943.db2.gz CGIYTCPFPZWTHX-WFASDCNBSA-N 1 2 290.338 2.100 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCC ZINC000491743037 332321434 /nfs/dbraw/zinc/32/14/34/332321434.db2.gz HKJSOFWWGFMGJD-ZDUSSCGKSA-N 1 2 276.355 2.176 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCC ZINC000491743037 332321436 /nfs/dbraw/zinc/32/14/36/332321436.db2.gz HKJSOFWWGFMGJD-ZDUSSCGKSA-N 1 2 276.355 2.176 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000491743880 332322087 /nfs/dbraw/zinc/32/20/87/332322087.db2.gz LFIVZKIOCVAWCF-LBPRGKRZSA-N 1 2 274.339 2.101 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000491743880 332322088 /nfs/dbraw/zinc/32/20/88/332322088.db2.gz LFIVZKIOCVAWCF-LBPRGKRZSA-N 1 2 274.339 2.101 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC000491746213 332323909 /nfs/dbraw/zinc/32/39/09/332323909.db2.gz YHQOJDGHKPAOCI-UHFFFAOYSA-N 1 2 260.381 2.018 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC000491746213 332323910 /nfs/dbraw/zinc/32/39/10/332323910.db2.gz YHQOJDGHKPAOCI-UHFFFAOYSA-N 1 2 260.381 2.018 20 30 CEEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491790133 332352102 /nfs/dbraw/zinc/35/21/02/332352102.db2.gz XLZXOGPYPUYTAV-HUUCEWRRSA-N 1 2 296.374 2.221 20 30 CEEDLO C#C[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491790131 332352193 /nfs/dbraw/zinc/35/21/93/332352193.db2.gz XLZXOGPYPUYTAV-CABCVRRESA-N 1 2 296.374 2.221 20 30 CEEDLO C[C@H](C[N@H+](C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000492258305 332389677 /nfs/dbraw/zinc/38/96/77/332389677.db2.gz LNWMGUFTYBSLAL-GHMZBOCLSA-N 1 2 255.362 2.134 20 30 CEEDLO C[C@H](C[N@@H+](C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000492258305 332389679 /nfs/dbraw/zinc/38/96/79/332389679.db2.gz LNWMGUFTYBSLAL-GHMZBOCLSA-N 1 2 255.362 2.134 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492870226 332417024 /nfs/dbraw/zinc/41/70/24/332417024.db2.gz VQGHFYFDLGRWGJ-JMEBYUIHSA-N 1 2 282.303 2.352 20 30 CEEDLO N#CC1(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493454186 332440864 /nfs/dbraw/zinc/44/08/64/332440864.db2.gz PWSOYWCPEHTWNK-UTCJRWHESA-N 1 2 292.342 2.305 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000521615500 333180057 /nfs/dbraw/zinc/18/00/57/333180057.db2.gz ZNRKZAJFVIGSMZ-JQWIXIFHSA-N 1 2 260.341 2.054 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000521615500 333180058 /nfs/dbraw/zinc/18/00/58/333180058.db2.gz ZNRKZAJFVIGSMZ-JQWIXIFHSA-N 1 2 260.341 2.054 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H]1CCc2ccccc2NC1=O ZINC000233442613 333352348 /nfs/dbraw/zinc/35/23/48/333352348.db2.gz AKJGHCZXAXAJLM-CQSZACIVSA-N 1 2 257.337 2.175 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H]1CCc2ccccc2NC1=O ZINC000233442613 333352349 /nfs/dbraw/zinc/35/23/49/333352349.db2.gz AKJGHCZXAXAJLM-CQSZACIVSA-N 1 2 257.337 2.175 20 30 CEEDLO COc1cc(F)c(C[NH2+]CC2(C#N)CC2)cc1OC ZINC000575993581 335139523 /nfs/dbraw/zinc/13/95/23/335139523.db2.gz FCRPRPYJNXGRJB-UHFFFAOYSA-N 1 2 264.300 2.236 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000576169896 335164217 /nfs/dbraw/zinc/16/42/17/335164217.db2.gz VQNZPSDUXIONHB-JQWIXIFHSA-N 1 2 288.351 2.377 20 30 CEEDLO Cc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000576230544 335174739 /nfs/dbraw/zinc/17/47/39/335174739.db2.gz GGHNZJNNVFXDKZ-HNNXBMFYSA-N 1 2 293.798 2.151 20 30 CEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000547294036 334076264 /nfs/dbraw/zinc/07/62/64/334076264.db2.gz IICXWDROOWZPGA-CYBMUJFWSA-N 1 2 275.352 2.186 20 30 CEEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000547294036 334076266 /nfs/dbraw/zinc/07/62/66/334076266.db2.gz IICXWDROOWZPGA-CYBMUJFWSA-N 1 2 275.352 2.186 20 30 CEEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1c(F)cncc1F ZINC000552024536 334278033 /nfs/dbraw/zinc/27/80/33/334278033.db2.gz MZBAEFSHVCXMEH-ZJUUUORDSA-N 1 2 264.279 2.454 20 30 CEEDLO C=CCN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000154014361 334685575 /nfs/dbraw/zinc/68/55/75/334685575.db2.gz XBSJSJYKLMVSSO-UHFFFAOYSA-N 1 2 270.336 2.200 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000576409331 335200402 /nfs/dbraw/zinc/20/04/02/335200402.db2.gz PRPUZQZUCISLGH-YPMHNXCESA-N 1 2 270.336 2.167 20 30 CEEDLO N#CCC[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000580543278 335269979 /nfs/dbraw/zinc/26/99/79/335269979.db2.gz ABHZQVVHGMIOSZ-VIFPVBQESA-N 1 2 281.718 2.088 20 30 CEEDLO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]CCC#N)C1=O ZINC000578880464 335684330 /nfs/dbraw/zinc/68/43/30/335684330.db2.gz GYIMTHUWYMLXJC-DOMZBBRYSA-N 1 2 289.354 2.381 20 30 CEEDLO Cc1oncc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000181762483 335783639 /nfs/dbraw/zinc/78/36/39/335783639.db2.gz PECFCVOVZQIOEA-QGZVFWFLSA-N 1 2 296.374 2.366 20 30 CEEDLO CCCOc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000581603653 336110494 /nfs/dbraw/zinc/11/04/94/336110494.db2.gz LSYLRIKOMXJKPX-HNNXBMFYSA-N 1 2 291.395 2.094 20 30 CEEDLO CCCOc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000581603653 336110495 /nfs/dbraw/zinc/11/04/95/336110495.db2.gz LSYLRIKOMXJKPX-HNNXBMFYSA-N 1 2 291.395 2.094 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000874900336 649865453 /nfs/dbraw/zinc/86/54/53/649865453.db2.gz FIOOPBHUQYVSNN-LLVKDONJSA-N 1 2 298.321 2.403 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)N1CCc2ccccc21 ZINC000331685355 533999286 /nfs/dbraw/zinc/99/92/86/533999286.db2.gz UZQOVQGJDXRWJE-QEJZJMRPSA-N 1 2 283.375 2.246 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000046167785 518271537 /nfs/dbraw/zinc/27/15/37/518271537.db2.gz XZQSCTYIMNFRIB-UHFFFAOYSA-N 1 2 299.237 2.261 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000183025345 520161105 /nfs/dbraw/zinc/16/11/05/520161105.db2.gz RSHUOECEVBZAJY-UHFFFAOYSA-N 1 2 298.390 2.288 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000183025345 520161115 /nfs/dbraw/zinc/16/11/15/520161115.db2.gz RSHUOECEVBZAJY-UHFFFAOYSA-N 1 2 298.390 2.288 20 30 CEEDLO CCc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]1 ZINC000184575774 522295810 /nfs/dbraw/zinc/29/58/10/522295810.db2.gz CVHSSMWTAURGPV-UHFFFAOYSA-N 1 2 281.363 2.403 20 30 CEEDLO CCc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]1 ZINC000184575774 522295820 /nfs/dbraw/zinc/29/58/20/522295820.db2.gz CVHSSMWTAURGPV-UHFFFAOYSA-N 1 2 281.363 2.403 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC000336603256 534689718 /nfs/dbraw/zinc/68/97/18/534689718.db2.gz YUJRBSMOXSJOLI-GXTWGEPZSA-N 1 2 296.374 2.495 20 30 CEEDLO C=CC[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345016039 527028135 /nfs/dbraw/zinc/02/81/35/527028135.db2.gz SMSRDECIBVEOAW-PWSUYJOCSA-N 1 2 262.357 2.135 20 30 CEEDLO C=C[C@@H](CO)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000353575207 527443720 /nfs/dbraw/zinc/44/37/20/527443720.db2.gz YVYWGHIGYAWUTL-RQJHMYQMSA-N 1 2 266.288 2.359 20 30 CEEDLO CCC[C@H]([NH2+]CC1(C#N)CC1)c1nnc2ccccn21 ZINC000347628005 528215975 /nfs/dbraw/zinc/21/59/75/528215975.db2.gz YTTGXWGTTSWZKH-LBPRGKRZSA-N 1 2 269.352 2.464 20 30 CEEDLO CCOC(=O)c1coc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000354646152 528326042 /nfs/dbraw/zinc/32/60/42/528326042.db2.gz HOYNMRIBWXYYMH-GXFFZTMASA-N 1 2 262.309 2.238 20 30 CEEDLO CC[C@H](CC#N)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355807804 529297424 /nfs/dbraw/zinc/29/74/24/529297424.db2.gz NBDAMRWSUQRIGK-OAHLLOKOSA-N 1 2 296.374 2.282 20 30 CEEDLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000330278157 529332629 /nfs/dbraw/zinc/33/26/29/529332629.db2.gz PGTZAGMHKCLIDE-LLVKDONJSA-N 1 2 250.346 2.109 20 30 CEEDLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000330278157 529332632 /nfs/dbraw/zinc/33/26/32/529332632.db2.gz PGTZAGMHKCLIDE-LLVKDONJSA-N 1 2 250.346 2.109 20 30 CEEDLO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)O1 ZINC000330322401 529338407 /nfs/dbraw/zinc/33/84/07/529338407.db2.gz SMYWGYZITPLTCV-IJLUTSLNSA-N 1 2 263.341 2.112 20 30 CEEDLO CCCCCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000729385162 574486367 /nfs/dbraw/zinc/48/63/67/574486367.db2.gz ARHBMRWHURPDBD-AWEZNQCLSA-N 1 2 270.417 2.184 20 30 CEEDLO CCCCCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000729385162 574486368 /nfs/dbraw/zinc/48/63/68/574486368.db2.gz ARHBMRWHURPDBD-AWEZNQCLSA-N 1 2 270.417 2.184 20 30 CEEDLO CCCCCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729385163 574486373 /nfs/dbraw/zinc/48/63/73/574486373.db2.gz ARHBMRWHURPDBD-CQSZACIVSA-N 1 2 270.417 2.184 20 30 CEEDLO CCCCCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729385163 574486374 /nfs/dbraw/zinc/48/63/74/574486374.db2.gz ARHBMRWHURPDBD-CQSZACIVSA-N 1 2 270.417 2.184 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1F ZINC000730098489 574501550 /nfs/dbraw/zinc/50/15/50/574501550.db2.gz INQUJESMCMUSMV-LBPRGKRZSA-N 1 2 264.275 2.001 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(F)c1F ZINC000730098489 574501552 /nfs/dbraw/zinc/50/15/52/574501552.db2.gz INQUJESMCMUSMV-LBPRGKRZSA-N 1 2 264.275 2.001 20 30 CEEDLO C[C@@H](C[NH+]1CCN(C)CC1)/N=C\c1cc(Cl)ccc1O ZINC000730148203 574502941 /nfs/dbraw/zinc/50/29/41/574502941.db2.gz ZTMLKWIZMXAWCQ-NJPLLEPOSA-N 1 2 295.814 2.100 20 30 CEEDLO FC(F)(F)c1cccnc1N=NCc1[nH]cc[nH+]1 ZINC000731152164 574589986 /nfs/dbraw/zinc/58/99/86/574589986.db2.gz XJTWVROHESEJEK-UHFFFAOYSA-N 1 2 255.203 2.270 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000763949706 574593448 /nfs/dbraw/zinc/59/34/48/574593448.db2.gz GPHFHDBLZBMELW-ZFWWWQNUSA-N 1 2 262.397 2.121 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000763949706 574593449 /nfs/dbraw/zinc/59/34/49/574593449.db2.gz GPHFHDBLZBMELW-ZFWWWQNUSA-N 1 2 262.397 2.121 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccco3)C2)c1=S ZINC000732180601 574614218 /nfs/dbraw/zinc/61/42/18/574614218.db2.gz ARFOVJMVQYJVJX-NSHDSACASA-N 1 2 291.380 2.035 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccco3)C2)c1=S ZINC000732180601 574614220 /nfs/dbraw/zinc/61/42/20/574614220.db2.gz ARFOVJMVQYJVJX-NSHDSACASA-N 1 2 291.380 2.035 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cc(C)c(C)cc2C)CC1 ZINC000733161364 574647287 /nfs/dbraw/zinc/64/72/87/574647287.db2.gz NYXUMHYFCVMHQC-VOTSOKGWSA-N 1 2 296.414 2.402 20 30 CEEDLO N#CCCCCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000733866736 574688708 /nfs/dbraw/zinc/68/87/08/574688708.db2.gz LRGWHNVVMRYKLX-UHFFFAOYSA-N 1 2 257.293 2.114 20 30 CEEDLO CN1CCCc2cc(C=[NH+]Nc3cccnn3)ccc21 ZINC000735976148 574772890 /nfs/dbraw/zinc/77/28/90/574772890.db2.gz DIJHQARNGRMJLU-UHFFFAOYSA-N 1 2 267.336 2.305 20 30 CEEDLO C#Cc1ccc(C(=O)OCc2[nH+]cc(C)c(OC)c2C)nc1 ZINC000736817925 574797862 /nfs/dbraw/zinc/79/78/62/574797862.db2.gz QNJCHTJVNKTGDQ-UHFFFAOYSA-N 1 2 296.326 2.440 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000748779710 575195410 /nfs/dbraw/zinc/19/54/10/575195410.db2.gz AWKREDVYXHWLIP-QWRGUYRKSA-N 1 2 295.358 2.156 20 30 CEEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)C[C@H](C)C#N ZINC000739839356 574934362 /nfs/dbraw/zinc/93/43/62/574934362.db2.gz CQUGCKFKCCDPAJ-GFCCVEGCSA-N 1 2 294.362 2.174 20 30 CEEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@H](C)C#N ZINC000739839356 574934363 /nfs/dbraw/zinc/93/43/63/574934363.db2.gz CQUGCKFKCCDPAJ-GFCCVEGCSA-N 1 2 294.362 2.174 20 30 CEEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCCC#N)s1 ZINC000741795412 574998866 /nfs/dbraw/zinc/99/88/66/574998866.db2.gz XFFRDTBMKATSOK-LLVKDONJSA-N 1 2 294.424 2.037 20 30 CEEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCCC#N)s1 ZINC000741795412 574998869 /nfs/dbraw/zinc/99/88/69/574998869.db2.gz XFFRDTBMKATSOK-LLVKDONJSA-N 1 2 294.424 2.037 20 30 CEEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCCC#N)s1 ZINC000741795483 574999134 /nfs/dbraw/zinc/99/91/34/574999134.db2.gz XFFRDTBMKATSOK-NSHDSACASA-N 1 2 294.424 2.037 20 30 CEEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCCC#N)s1 ZINC000741795483 574999136 /nfs/dbraw/zinc/99/91/36/574999136.db2.gz XFFRDTBMKATSOK-NSHDSACASA-N 1 2 294.424 2.037 20 30 CEEDLO Cc1nnc([C@H](C)O[NH+]=C(N)c2ccc(Cl)cc2)o1 ZINC000742352856 575015509 /nfs/dbraw/zinc/01/55/09/575015509.db2.gz FNAZOEQHZKNCDS-ZETCQYMHSA-N 1 2 280.715 2.430 20 30 CEEDLO Cc1cccc(F)c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000743484906 575105213 /nfs/dbraw/zinc/10/52/13/575105213.db2.gz TYCIUXLKASMIDR-MRXNPFEDSA-N 1 2 297.333 2.322 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc2ncccc21 ZINC000747633829 575172860 /nfs/dbraw/zinc/17/28/60/575172860.db2.gz XAPREYCTMSXVIK-UHFFFAOYSA-N 1 2 294.318 2.062 20 30 CEEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc3c(c2)CCCN3C)n1 ZINC000748034279 575177707 /nfs/dbraw/zinc/17/77/07/575177707.db2.gz AJWWXEKAFQZNMI-UHFFFAOYSA-N 1 2 297.362 2.319 20 30 CEEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000752076612 575304899 /nfs/dbraw/zinc/30/48/99/575304899.db2.gz JRYXPEMAIVJPFN-INIZCTEOSA-N 1 2 282.387 2.049 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3ccncc3s2)CC1 ZINC000981337499 613158095 /nfs/dbraw/zinc/15/80/95/613158095.db2.gz PQCSSLWTQPTBCF-UHFFFAOYSA-N 1 2 299.399 2.077 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3ccncc3s2)CC1 ZINC000981337499 613158097 /nfs/dbraw/zinc/15/80/97/613158097.db2.gz PQCSSLWTQPTBCF-UHFFFAOYSA-N 1 2 299.399 2.077 20 30 CEEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2n[nH]c3ccccc32)C1 ZINC000970832065 613304413 /nfs/dbraw/zinc/30/44/13/613304413.db2.gz FMOPNPFSDAFTBD-LBPRGKRZSA-N 1 2 298.390 2.189 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000957537050 613317179 /nfs/dbraw/zinc/31/71/79/613317179.db2.gz YMSUJMNNJCZQKA-OAHLLOKOSA-N 1 2 288.391 2.174 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000957401245 613321086 /nfs/dbraw/zinc/32/10/86/613321086.db2.gz QBFDTDZOHWEMAY-UHFFFAOYSA-N 1 2 279.771 2.069 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000949099182 613321242 /nfs/dbraw/zinc/32/12/42/613321242.db2.gz ASNZYTUZBWOZIG-UHFFFAOYSA-N 1 2 285.391 2.293 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2csnc2C)C1 ZINC000969522183 613371913 /nfs/dbraw/zinc/37/19/13/613371913.db2.gz RANYNFCQJDNVHB-SECBINFHSA-N 1 2 299.827 2.254 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000980962504 613373139 /nfs/dbraw/zinc/37/31/39/613373139.db2.gz GGOIGXMCDISJFS-UHFFFAOYSA-N 1 2 268.788 2.384 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000980962504 613373140 /nfs/dbraw/zinc/37/31/40/613373140.db2.gz GGOIGXMCDISJFS-UHFFFAOYSA-N 1 2 268.788 2.384 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC000980917044 613373762 /nfs/dbraw/zinc/37/37/62/613373762.db2.gz YKGAGJGSCCRCIM-GFCCVEGCSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC000980917044 613373763 /nfs/dbraw/zinc/37/37/63/613373763.db2.gz YKGAGJGSCCRCIM-GFCCVEGCSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC000965396336 613375713 /nfs/dbraw/zinc/37/57/13/613375713.db2.gz SLEQPPQNINFYNE-BXUZGUMPSA-N 1 2 298.814 2.260 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC000965396336 613375714 /nfs/dbraw/zinc/37/57/14/613375714.db2.gz SLEQPPQNINFYNE-BXUZGUMPSA-N 1 2 298.814 2.260 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967408737 613375878 /nfs/dbraw/zinc/37/58/78/613375878.db2.gz LTPZBZGRRLDFCJ-NOZJJQNGSA-N 1 2 299.777 2.347 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967408737 613375879 /nfs/dbraw/zinc/37/58/79/613375879.db2.gz LTPZBZGRRLDFCJ-NOZJJQNGSA-N 1 2 299.777 2.347 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000965127040 613378192 /nfs/dbraw/zinc/37/81/92/613378192.db2.gz FGHGFHNIFKBLIK-GXFFZTMASA-N 1 2 282.771 2.472 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000965127040 613378193 /nfs/dbraw/zinc/37/81/93/613378193.db2.gz FGHGFHNIFKBLIK-GXFFZTMASA-N 1 2 282.771 2.472 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC2(F)F)C(C)(C)C1 ZINC000974562962 613381070 /nfs/dbraw/zinc/38/10/70/613381070.db2.gz ZJFFGRXUBCXNGR-UWVGGRQHSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC2(F)F)C(C)(C)C1 ZINC000974562962 613381071 /nfs/dbraw/zinc/38/10/71/613381071.db2.gz ZJFFGRXUBCXNGR-UWVGGRQHSA-N 1 2 292.757 2.221 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@]2(C)CC)C1 ZINC000957068191 613656107 /nfs/dbraw/zinc/65/61/07/613656107.db2.gz QAXLPAJNDGUBLU-HIFRSBDPSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000949732864 613709040 /nfs/dbraw/zinc/70/90/40/613709040.db2.gz ACDBYKCTOJOPLW-UONOGXRCSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000949453460 613709253 /nfs/dbraw/zinc/70/92/53/613709253.db2.gz OXJYYSBDKGWEPD-UHFFFAOYSA-N 1 2 284.403 2.437 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000957570351 613709540 /nfs/dbraw/zinc/70/95/40/613709540.db2.gz XRBZGMSNQMTALT-UHFFFAOYSA-N 1 2 272.392 2.176 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC000951769208 613712178 /nfs/dbraw/zinc/71/21/78/613712178.db2.gz VNSAUQBTEFFHBS-CYBMUJFWSA-N 1 2 276.380 2.330 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000950908824 613712461 /nfs/dbraw/zinc/71/24/61/613712461.db2.gz PNCZZJXXWXKTGR-OAHLLOKOSA-N 1 2 272.392 2.429 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000956973111 613713282 /nfs/dbraw/zinc/71/32/82/613713282.db2.gz BBVBEOVQKKQRFY-GDBMZVCRSA-N 1 2 264.413 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC000949892525 613713561 /nfs/dbraw/zinc/71/35/61/613713561.db2.gz ULCCDINCAVGOFC-NWDGAFQWSA-N 1 2 290.329 2.295 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC000957846155 613713975 /nfs/dbraw/zinc/71/39/75/613713975.db2.gz TWIHJXUHPYFVMU-GOSISDBHSA-N 1 2 284.403 2.221 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)ccn2)CC1 ZINC000957054157 613714737 /nfs/dbraw/zinc/71/47/37/613714737.db2.gz AIFPEWJUAVERAH-UHFFFAOYSA-N 1 2 299.296 2.044 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)sc2C)CC1 ZINC000949150055 613715142 /nfs/dbraw/zinc/71/51/42/613715142.db2.gz YAWUMXDPWCZBAG-UHFFFAOYSA-N 1 2 264.394 2.309 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000950668989 613715217 /nfs/dbraw/zinc/71/52/17/613715217.db2.gz NLUBWUPQFDPQCM-UHFFFAOYSA-N 1 2 284.281 2.048 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cc(C)cn3c2)CC1 ZINC000948671979 613716171 /nfs/dbraw/zinc/71/61/71/613716171.db2.gz YDDRXUXZIONUAV-UHFFFAOYSA-N 1 2 283.375 2.192 20 30 CEEDLO C=CC[C@@H]1CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000890557253 622599607 /nfs/dbraw/zinc/59/96/07/622599607.db2.gz WXVQEKKZUDSMFJ-GFCCVEGCSA-N 1 2 268.320 2.058 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000890654263 622755006 /nfs/dbraw/zinc/75/50/06/622755006.db2.gz ALZMDXAJCAVYRA-CQSZACIVSA-N 1 2 267.332 2.271 20 30 CEEDLO C#CCCNc1nc(C)[nH+]c(C)c1Br ZINC000306478212 622916192 /nfs/dbraw/zinc/91/61/92/622916192.db2.gz AFUIWKGZZPUDIB-UHFFFAOYSA-N 1 2 254.131 2.291 20 30 CEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)C)C1 ZINC000971094372 623421482 /nfs/dbraw/zinc/42/14/82/623421482.db2.gz BBFFOFXHMWKRGB-LLVKDONJSA-N 1 2 289.217 2.084 20 30 CEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)C)C1 ZINC000971094372 623421488 /nfs/dbraw/zinc/42/14/88/623421488.db2.gz BBFFOFXHMWKRGB-LLVKDONJSA-N 1 2 289.217 2.084 20 30 CEEDLO Cc1ccc(C#N)cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933300070 623625734 /nfs/dbraw/zinc/62/57/34/623625734.db2.gz ZKTQSOKJVKALIT-GFCCVEGCSA-N 1 2 282.347 2.129 20 30 CEEDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933780897 624004460 /nfs/dbraw/zinc/00/44/60/624004460.db2.gz XKHJCGNQGXXLFY-NSHDSACASA-N 1 2 279.409 2.212 20 30 CEEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933780897 624004464 /nfs/dbraw/zinc/00/44/64/624004464.db2.gz XKHJCGNQGXXLFY-NSHDSACASA-N 1 2 279.409 2.212 20 30 CEEDLO CCc1[nH]nc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000891851914 624026997 /nfs/dbraw/zinc/02/69/97/624026997.db2.gz DIDBQUKUGPMFKW-UHFFFAOYSA-N 1 2 252.749 2.361 20 30 CEEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(F)cc1F ZINC000092916455 624108480 /nfs/dbraw/zinc/10/84/80/624108480.db2.gz FPMXOKYFBODROS-UHFFFAOYSA-N 1 2 277.274 2.391 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(C(=O)OC)co1 ZINC000934458699 624505557 /nfs/dbraw/zinc/50/55/57/624505557.db2.gz CGYZNVDCOPMZQF-NXEZZACHSA-N 1 2 250.298 2.173 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(C(=O)OC)co1 ZINC000934458699 624505561 /nfs/dbraw/zinc/50/55/61/624505561.db2.gz CGYZNVDCOPMZQF-NXEZZACHSA-N 1 2 250.298 2.173 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000934469545 624515790 /nfs/dbraw/zinc/51/57/90/624515790.db2.gz FBDWREHRLGZKLE-AWEZNQCLSA-N 1 2 283.379 2.430 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000934469545 624515794 /nfs/dbraw/zinc/51/57/94/624515794.db2.gz FBDWREHRLGZKLE-AWEZNQCLSA-N 1 2 283.379 2.430 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000934517749 624556553 /nfs/dbraw/zinc/55/65/53/624556553.db2.gz ALNYXWUUYJEZIJ-ZDUSSCGKSA-N 1 2 283.331 2.430 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000934517749 624556559 /nfs/dbraw/zinc/55/65/59/624556559.db2.gz ALNYXWUUYJEZIJ-ZDUSSCGKSA-N 1 2 283.331 2.430 20 30 CEEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1cccc(Cl)c1 ZINC000743852706 624925587 /nfs/dbraw/zinc/92/55/87/624925587.db2.gz AZJIWDFZMGHCBD-HNNXBMFYSA-N 1 2 261.752 2.332 20 30 CEEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1cccc(Cl)c1 ZINC000743852706 624925588 /nfs/dbraw/zinc/92/55/88/624925588.db2.gz AZJIWDFZMGHCBD-HNNXBMFYSA-N 1 2 261.752 2.332 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)CC ZINC000820644700 634485722 /nfs/dbraw/zinc/48/57/22/634485722.db2.gz GOHUBZYUMPQQKN-HNNXBMFYSA-N 1 2 262.353 2.447 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)C(C)C ZINC000820659428 634491803 /nfs/dbraw/zinc/49/18/03/634491803.db2.gz ZQHXDZKQUZTXLD-UHFFFAOYSA-N 1 2 289.379 2.058 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC[C@@H]1O ZINC000820670021 634497199 /nfs/dbraw/zinc/49/71/99/634497199.db2.gz HSLODJXRFGKOPG-KGLIPLIRSA-N 1 2 274.364 2.447 20 30 CEEDLO C=C(C)C[N@H+](C)CN1Cc2c(c(F)ccc2F)C1=O ZINC000902213991 634518013 /nfs/dbraw/zinc/51/80/13/634518013.db2.gz RXERXODKIINRKY-UHFFFAOYSA-N 1 2 266.291 2.386 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1Cc2c(c(F)ccc2F)C1=O ZINC000902213991 634518017 /nfs/dbraw/zinc/51/80/17/634518017.db2.gz RXERXODKIINRKY-UHFFFAOYSA-N 1 2 266.291 2.386 20 30 CEEDLO C#CCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000820837654 634546720 /nfs/dbraw/zinc/54/67/20/634546720.db2.gz MQAVDQXMYWIOIC-CQSZACIVSA-N 1 2 261.369 2.390 20 30 CEEDLO C=CCC1(O)CC[NH+](CN2Cc3ccccc3C2=O)CC1 ZINC000902373637 634604750 /nfs/dbraw/zinc/60/47/50/634604750.db2.gz FPZFDRHTEQYHOB-UHFFFAOYSA-N 1 2 286.375 2.003 20 30 CEEDLO Nc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000821022732 634605840 /nfs/dbraw/zinc/60/58/40/634605840.db2.gz UEBMHBDYFQUWNT-GQCTYLIASA-N 1 2 269.260 2.468 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)cc1 ZINC000105419926 628788792 /nfs/dbraw/zinc/78/87/92/628788792.db2.gz DRSHGKDHWRYRMP-UHFFFAOYSA-N 1 2 289.342 2.429 20 30 CEEDLO C[N@H+](Cc1ncc(Br)cn1)[C@H]1CC[C@H](C#N)C1 ZINC000931862920 628867475 /nfs/dbraw/zinc/86/74/75/628867475.db2.gz DODBCACFAGUJMY-ONGXEEELSA-N 1 2 295.184 2.363 20 30 CEEDLO C[N@@H+](Cc1ncc(Br)cn1)[C@H]1CC[C@H](C#N)C1 ZINC000931862920 628867480 /nfs/dbraw/zinc/86/74/80/628867480.db2.gz DODBCACFAGUJMY-ONGXEEELSA-N 1 2 295.184 2.363 20 30 CEEDLO Cn1ccc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)n1 ZINC000932141815 628975301 /nfs/dbraw/zinc/97/53/01/628975301.db2.gz WQKSWFYLMCJEEF-UHFFFAOYSA-N 1 2 287.392 2.128 20 30 CEEDLO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932147294 628975723 /nfs/dbraw/zinc/97/57/23/628975723.db2.gz DAGVFKIDTHHLLC-ZDUSSCGKSA-N 1 2 272.348 2.251 20 30 CEEDLO COC(=O)c1ccccc1CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932147294 628975725 /nfs/dbraw/zinc/97/57/25/628975725.db2.gz DAGVFKIDTHHLLC-ZDUSSCGKSA-N 1 2 272.348 2.251 20 30 CEEDLO Cc1cc[nH+]c(N)c1CN(CCC#N)Cc1ccco1 ZINC000893879415 629027513 /nfs/dbraw/zinc/02/75/13/629027513.db2.gz BMPJUFJYDJFFJM-UHFFFAOYSA-N 1 2 270.336 2.481 20 30 CEEDLO CC[C@H](CO)Nc1cc(N[C@H]2CC[C@@H](CC#N)C2)[nH+]cn1 ZINC000894042824 629099638 /nfs/dbraw/zinc/09/96/38/629099638.db2.gz NYKPCVBIHVPGFX-XQQFMLRXSA-N 1 2 289.383 2.154 20 30 CEEDLO CC[C@H](CO)Nc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc[nH+]1 ZINC000894042824 629099641 /nfs/dbraw/zinc/09/96/41/629099641.db2.gz NYKPCVBIHVPGFX-XQQFMLRXSA-N 1 2 289.383 2.154 20 30 CEEDLO Cc1n[nH]c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000894665754 629579409 /nfs/dbraw/zinc/57/94/09/629579409.db2.gz PVVWHJGEVBQALJ-UHFFFAOYSA-N 1 2 295.390 2.479 20 30 CEEDLO CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc(C#N)c1O ZINC000925084780 629670721 /nfs/dbraw/zinc/67/07/21/629670721.db2.gz JNHBAEAEPDDFFU-ZBFHGGJFSA-N 1 2 292.379 2.092 20 30 CEEDLO C=CCOC[C@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC000796015073 629741719 /nfs/dbraw/zinc/74/17/19/629741719.db2.gz LNYQVXKXPYPTJU-AWEZNQCLSA-N 1 2 269.385 2.433 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCC2)c(F)c1 ZINC000894966433 629771959 /nfs/dbraw/zinc/77/19/59/629771959.db2.gz MQVVGZDOZDGKID-UHFFFAOYSA-N 1 2 276.311 2.396 20 30 CEEDLO Cc1nc(N2CCC(c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000895111479 629911172 /nfs/dbraw/zinc/91/11/72/629911172.db2.gz DUZQKOBVCPUIMY-UHFFFAOYSA-N 1 2 279.347 2.436 20 30 CEEDLO CC#CC[C@H](CO)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000895131115 629937768 /nfs/dbraw/zinc/93/77/68/629937768.db2.gz GGKHTJBKNGAZHZ-MRVPVSSYSA-N 1 2 278.299 2.026 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000796748650 629989023 /nfs/dbraw/zinc/98/90/23/629989023.db2.gz WVPLUJKWFJUIQC-AWEZNQCLSA-N 1 2 287.354 2.114 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000796748650 629989027 /nfs/dbraw/zinc/98/90/27/629989027.db2.gz WVPLUJKWFJUIQC-AWEZNQCLSA-N 1 2 287.354 2.114 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000895385836 630157750 /nfs/dbraw/zinc/15/77/50/630157750.db2.gz MFYKJOZJKYYNKY-UHFFFAOYSA-N 1 2 269.266 2.064 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)C1CCOCC1 ZINC000895435865 630188736 /nfs/dbraw/zinc/18/87/36/630188736.db2.gz MZJSCPACLBSVDR-CYBMUJFWSA-N 1 2 276.380 2.490 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OCC ZINC000895598096 630270909 /nfs/dbraw/zinc/27/09/09/630270909.db2.gz MWLYCZLQWMVLCQ-NEPJUHHUSA-N 1 2 257.399 2.370 20 30 CEEDLO C#CC[N@@H+](Cc1cnc(F)c(C)c1)C1CSC1 ZINC000895810442 630351678 /nfs/dbraw/zinc/35/16/78/630351678.db2.gz DOAVLONCABLHLJ-UHFFFAOYSA-N 1 2 250.342 2.080 20 30 CEEDLO C#CC[N@H+](Cc1cnc(F)c(C)c1)C1CSC1 ZINC000895810442 630351679 /nfs/dbraw/zinc/35/16/79/630351679.db2.gz DOAVLONCABLHLJ-UHFFFAOYSA-N 1 2 250.342 2.080 20 30 CEEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nc(C)cc(C)c1C#N ZINC000895804444 630355484 /nfs/dbraw/zinc/35/54/84/630355484.db2.gz SWYJKWWSJLNAEY-AWEZNQCLSA-N 1 2 288.395 2.093 20 30 CEEDLO Cc1nc(N2CCC(c3ccc(C#N)cc3)CC2)nc(N)[nH+]1 ZINC000896864140 630695469 /nfs/dbraw/zinc/69/54/69/630695469.db2.gz DHYYTACPQYXYBF-UHFFFAOYSA-N 1 2 294.362 2.018 20 30 CEEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)cc2C)[nH+]c1C ZINC000896915736 630801315 /nfs/dbraw/zinc/80/13/15/630801315.db2.gz JUINLBXACOSLNU-UHFFFAOYSA-N 1 2 268.320 2.137 20 30 CEEDLO CCCCCCCS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000799762885 631075520 /nfs/dbraw/zinc/07/55/20/631075520.db2.gz QFVSAKSKOZKGTR-CYBMUJFWSA-N 1 2 287.429 2.161 20 30 CEEDLO C=CCOc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1 ZINC000802230963 631406022 /nfs/dbraw/zinc/40/60/22/631406022.db2.gz UKUOMNPKWQIAAU-OAHLLOKOSA-N 1 2 293.338 2.452 20 30 CEEDLO C=CCOc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1 ZINC000802230963 631406025 /nfs/dbraw/zinc/40/60/25/631406025.db2.gz UKUOMNPKWQIAAU-OAHLLOKOSA-N 1 2 293.338 2.452 20 30 CEEDLO C=CCOc1ccccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240471 631411961 /nfs/dbraw/zinc/41/19/61/631411961.db2.gz AOSJUOHKKUASFE-ZDUSSCGKSA-N 1 2 293.338 2.452 20 30 CEEDLO C=CCOc1ccccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240471 631411963 /nfs/dbraw/zinc/41/19/63/631411963.db2.gz AOSJUOHKKUASFE-ZDUSSCGKSA-N 1 2 293.338 2.452 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CCC(C)(C)C1=O ZINC000839959169 631416129 /nfs/dbraw/zinc/41/61/29/631416129.db2.gz JQGHBMRRKZLQNE-UHFFFAOYSA-N 1 2 271.364 2.206 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CCC(C)(C)C1=O ZINC000839959169 631416132 /nfs/dbraw/zinc/41/61/32/631416132.db2.gz JQGHBMRRKZLQNE-UHFFFAOYSA-N 1 2 271.364 2.206 20 30 CEEDLO NC(=[NH+]OCCC1CCOCC1)c1ccc(F)cc1 ZINC000842019043 631546332 /nfs/dbraw/zinc/54/63/32/631546332.db2.gz FWBNLTPATLIXAK-UHFFFAOYSA-N 1 2 266.316 2.279 20 30 CEEDLO C#CC[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804340456 631667034 /nfs/dbraw/zinc/66/70/34/631667034.db2.gz YHFVUCFJVWFALF-UHFFFAOYSA-N 1 2 279.727 2.003 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1CC[C@@H](C)C1=O ZINC000840042750 631668021 /nfs/dbraw/zinc/66/80/21/631668021.db2.gz PNHHJIZZVLTIKT-CYBMUJFWSA-N 1 2 262.353 2.136 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1CC[C@@H](C)C1=O ZINC000840042750 631668024 /nfs/dbraw/zinc/66/80/24/631668024.db2.gz PNHHJIZZVLTIKT-CYBMUJFWSA-N 1 2 262.353 2.136 20 30 CEEDLO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)cnc1F ZINC000897626104 631833608 /nfs/dbraw/zinc/83/36/08/631833608.db2.gz MTOBYADTELNVMC-UHFFFAOYSA-N 1 2 262.313 2.147 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2CC)CC1 ZINC000989728371 632232281 /nfs/dbraw/zinc/23/22/81/632232281.db2.gz HSQVVAWNGBEODU-UHFFFAOYSA-N 1 2 276.405 2.092 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2CC)CC1 ZINC000989728371 632232283 /nfs/dbraw/zinc/23/22/83/632232283.db2.gz HSQVVAWNGBEODU-UHFFFAOYSA-N 1 2 276.405 2.092 20 30 CEEDLO CC[C@H]([NH2+]Cc1nnc2n1CCC2)c1cccc(C#N)c1O ZINC000924626102 632351544 /nfs/dbraw/zinc/35/15/44/632351544.db2.gz SAUUGTZSXPIPQV-ZDUSSCGKSA-N 1 2 297.362 2.042 20 30 CEEDLO Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000899330962 632791448 /nfs/dbraw/zinc/79/14/48/632791448.db2.gz DKJDSECMQMVCSM-ZDUSSCGKSA-N 1 2 280.331 2.246 20 30 CEEDLO Cn1c[nH+]cc1/C=C/C(=O)c1cnn(CC2CCC2)c1 ZINC000899423131 632847496 /nfs/dbraw/zinc/84/74/96/632847496.db2.gz XYMMOLZELQHYSL-AATRIKPKSA-N 1 2 270.336 2.313 20 30 CEEDLO C[N@H+](Cc1cc(=O)oc2cc(O)ccc12)CC(C)(C)C#N ZINC000814670284 632877728 /nfs/dbraw/zinc/87/77/28/632877728.db2.gz PNYROTGOHDSQRE-UHFFFAOYSA-N 1 2 286.331 2.480 20 30 CEEDLO C[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)CC(C)(C)C#N ZINC000814670284 632877742 /nfs/dbraw/zinc/87/77/42/632877742.db2.gz PNYROTGOHDSQRE-UHFFFAOYSA-N 1 2 286.331 2.480 20 30 CEEDLO CCCNC(=S)N[NH+]=C(CC)c1cccc(N)c1 ZINC000814761455 632892062 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633999549 /nfs/dbraw/zinc/99/95/49/633999549.db2.gz KBYVOBPLZCJLGV-SNVBAGLBSA-N 1 2 256.309 2.190 20 30 CEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCSC1 ZINC000826990489 636168811 /nfs/dbraw/zinc/16/88/11/636168811.db2.gz HBGXZJUNOBJNIV-LBPRGKRZSA-N 1 2 269.410 2.016 20 30 CEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCSC1 ZINC000826990489 636168834 /nfs/dbraw/zinc/16/88/34/636168834.db2.gz HBGXZJUNOBJNIV-LBPRGKRZSA-N 1 2 269.410 2.016 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822398627 634910805 /nfs/dbraw/zinc/91/08/05/634910805.db2.gz ZIRWOURHDAYAAR-KBPBESRZSA-N 1 2 261.369 2.388 20 30 CEEDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000823943733 635310163 /nfs/dbraw/zinc/31/01/63/635310163.db2.gz MDYNWVOMCSCOEB-LLVKDONJSA-N 1 2 269.352 2.329 20 30 CEEDLO C=CCCOCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257914 635543290 /nfs/dbraw/zinc/54/32/90/635543290.db2.gz GEXDMZKWAKGLRJ-UHFFFAOYSA-N 1 2 260.297 2.115 20 30 CEEDLO C#CCN(Cc1c[nH+]c2n1CCC2)Cc1ccccc1 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CC1(C)OC[C@@H](CC[N@@H+](CC#N)C2CCCC2)O1 ZINC000851780657 643158626 /nfs/dbraw/zinc/15/86/26/643158626.db2.gz YTQWGFWLXTXHHV-CYBMUJFWSA-N 1 2 252.358 2.296 20 30 CEEDLO C#CCOCC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000851883903 643207676 /nfs/dbraw/zinc/20/76/76/643207676.db2.gz ZMBZSEJTIDNLOP-INIZCTEOSA-N 1 2 277.339 2.157 20 30 CEEDLO C#CCOCC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000851883903 643207681 /nfs/dbraw/zinc/20/76/81/643207681.db2.gz ZMBZSEJTIDNLOP-INIZCTEOSA-N 1 2 277.339 2.157 20 30 CEEDLO CCn1nccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877643104 650831522 /nfs/dbraw/zinc/83/15/22/650831522.db2.gz DNOOLRIONDDLGY-UHFFFAOYSA-N 1 2 275.743 2.113 20 30 CEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C=C2CCC2)CC1 ZINC001004417249 643287936 /nfs/dbraw/zinc/28/79/36/643287936.db2.gz DHMICLYSZYYKIG-INIZCTEOSA-N 1 2 287.407 2.323 20 30 CEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C=C2CCC2)CC1 ZINC001004417249 643287943 /nfs/dbraw/zinc/28/79/43/643287943.db2.gz DHMICLYSZYYKIG-INIZCTEOSA-N 1 2 287.407 2.323 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C#CC[N@H+](C)Cc1ccc(OC)c(OC)c1Cl ZINC001139118245 812045243 /nfs/dbraw/zinc/04/52/43/812045243.db2.gz PMHGTKRULZFQDS-UHFFFAOYSA-N 1 2 253.729 2.422 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001113283094 812205931 /nfs/dbraw/zinc/20/59/31/812205931.db2.gz AIEFZKMOJVNHNL-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001113307697 812212970 /nfs/dbraw/zinc/21/29/70/812212970.db2.gz MOCAGFPJWJBNLS-WBVHZDCISA-N 1 2 294.439 2.160 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn1C)C2 ZINC001096814535 812283846 /nfs/dbraw/zinc/28/38/46/812283846.db2.gz CBMVZDWYCUHWDZ-UPJWGTAASA-N 1 2 293.798 2.113 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn1C)C2 ZINC001096814535 812283852 /nfs/dbraw/zinc/28/38/52/812283852.db2.gz CBMVZDWYCUHWDZ-UPJWGTAASA-N 1 2 293.798 2.113 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCCOc2ccccc2)CC1 ZINC001113606594 812285876 /nfs/dbraw/zinc/28/58/76/812285876.db2.gz YRXRSJRTJJACFZ-UHFFFAOYSA-N 1 2 288.391 2.176 20 30 CEEDLO C=CCCC[NH+]1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC001113599728 812286776 /nfs/dbraw/zinc/28/67/76/812286776.db2.gz KIBIDRVBEUZURL-UHFFFAOYSA-N 1 2 298.390 2.287 20 30 CEEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113895717 812424228 /nfs/dbraw/zinc/42/42/28/812424228.db2.gz JUVWMWGCNBKXMQ-GFCCVEGCSA-N 1 2 290.411 2.328 20 30 CEEDLO Cc1cc(CNC(=O)c2ccc(C#N)o2)cc(C)[nH+]1 ZINC001130045463 812528817 /nfs/dbraw/zinc/52/88/17/812528817.db2.gz OPUNAEPLVJLCRS-UHFFFAOYSA-N 1 2 255.277 2.093 20 30 CEEDLO Cc1c(C[NH+]2CCC(C#N)CC2)nc2ccccn12 ZINC001137266931 812560569 /nfs/dbraw/zinc/56/05/69/812560569.db2.gz FYPDNOKOWIHRPM-UHFFFAOYSA-N 1 2 254.337 2.378 20 30 CEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCC[C@@H](OC)C1)C(=O)OCC ZINC001172924279 815547571 /nfs/dbraw/zinc/54/75/71/815547571.db2.gz UMBMDZHDYYGWDZ-RGCMKSIDSA-N 1 2 267.369 2.041 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001051078410 812881771 /nfs/dbraw/zinc/88/17/71/812881771.db2.gz UMRQRAJCJMZIDM-HUUCEWRRSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001051078410 812881780 /nfs/dbraw/zinc/88/17/80/812881780.db2.gz UMRQRAJCJMZIDM-HUUCEWRRSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132650249 812918458 /nfs/dbraw/zinc/91/84/58/812918458.db2.gz HWFIARYTCHSOES-LLVKDONJSA-N 1 2 279.384 2.100 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132668036 812921942 /nfs/dbraw/zinc/92/19/42/812921942.db2.gz ZGWDZEREPKHAPI-GFCCVEGCSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001133379245 813041649 /nfs/dbraw/zinc/04/16/49/813041649.db2.gz XGFYQEBVUOISKH-HNNXBMFYSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098081917 813164828 /nfs/dbraw/zinc/16/48/28/813164828.db2.gz WAIZKHHHUMDNCD-SECBINFHSA-N 1 2 296.802 2.480 20 30 CEEDLO CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001071282709 813340016 /nfs/dbraw/zinc/34/00/16/813340016.db2.gz NRGRZLPTOJYNAF-ZBEGNZNMSA-N 1 2 289.354 2.186 20 30 CEEDLO CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001071282709 813340021 /nfs/dbraw/zinc/34/00/21/813340021.db2.gz NRGRZLPTOJYNAF-ZBEGNZNMSA-N 1 2 289.354 2.186 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@H]1C ZINC001071682695 813462289 /nfs/dbraw/zinc/46/22/89/813462289.db2.gz QDSKUJJJLNXGNH-NXEZZACHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@H]1C ZINC001071682695 813462294 /nfs/dbraw/zinc/46/22/94/813462294.db2.gz QDSKUJJJLNXGNH-NXEZZACHSA-N 1 2 297.811 2.012 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001074312958 813824712 /nfs/dbraw/zinc/82/47/12/813824712.db2.gz VJXPCNPHPTYCSJ-CABCVRRESA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001074312958 813824719 /nfs/dbraw/zinc/82/47/19/813824719.db2.gz VJXPCNPHPTYCSJ-CABCVRRESA-N 1 2 292.423 2.076 20 30 CEEDLO C[C@]1(O)CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143719483 813864907 /nfs/dbraw/zinc/86/49/07/813864907.db2.gz ZCKSYGLRBGNSFB-ZDUSSCGKSA-N 1 2 250.729 2.168 20 30 CEEDLO C[C@]1(O)CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143719483 813864914 /nfs/dbraw/zinc/86/49/14/813864914.db2.gz ZCKSYGLRBGNSFB-ZDUSSCGKSA-N 1 2 250.729 2.168 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnco2)C1 ZINC001098965201 813967478 /nfs/dbraw/zinc/96/74/78/813967478.db2.gz TYIXTKDENOHHIH-FZMZJTMJSA-N 1 2 295.770 2.011 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnco2)C1 ZINC001098965201 813967483 /nfs/dbraw/zinc/96/74/83/813967483.db2.gz TYIXTKDENOHHIH-FZMZJTMJSA-N 1 2 295.770 2.011 20 30 CEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100691332 814173247 /nfs/dbraw/zinc/17/32/47/814173247.db2.gz NUVOLJCIFAPPHI-STQMWFEESA-N 1 2 290.411 2.186 20 30 CEEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102736998 814419997 /nfs/dbraw/zinc/41/99/97/814419997.db2.gz WQYRMBBTOBHGGL-CQSZACIVSA-N 1 2 288.395 2.178 20 30 CEEDLO C=CCCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001102985665 814453994 /nfs/dbraw/zinc/45/39/94/814453994.db2.gz TZJOFGFXHZNCGV-GFCCVEGCSA-N 1 2 262.357 2.058 20 30 CEEDLO CC[C@H](CNC(=O)C#CC(C)(C)C)Nc1cc[nH+]c(C)n1 ZINC001103055288 814466820 /nfs/dbraw/zinc/46/68/20/814466820.db2.gz YKWXJOQSCXORCD-CYBMUJFWSA-N 1 2 288.395 2.141 20 30 CEEDLO C#CCCCCC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115682074 814743619 /nfs/dbraw/zinc/74/36/19/814743619.db2.gz GNKYDNXDKREHLQ-ZDUSSCGKSA-N 1 2 288.395 2.237 20 30 CEEDLO C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)n1cc[nH+]c1 ZINC001116204540 814840203 /nfs/dbraw/zinc/84/02/03/814840203.db2.gz CVVDDESUMKPLIR-AAEUAGOBSA-N 1 2 260.341 2.033 20 30 CEEDLO N#CCc1cccc(NCCCCn2cc[nH+]c2)n1 ZINC001116636080 814871038 /nfs/dbraw/zinc/87/10/38/814871038.db2.gz DZAHXBSDIZQYAP-UHFFFAOYSA-N 1 2 255.325 2.236 20 30 CEEDLO C=CCCNC(=S)NCc1c[nH+]c2ccc(F)cn12 ZINC001247690625 814889470 /nfs/dbraw/zinc/88/94/70/814889470.db2.gz RAXCWVXQWTWVMA-UHFFFAOYSA-N 1 2 278.356 2.014 20 30 CEEDLO COC(=O)CCCC[C@H](C)[N@@H+]1CCCC[C@@H]1C#N ZINC001173456436 815737036 /nfs/dbraw/zinc/73/70/36/815737036.db2.gz CIVYOPFYWQWBNI-QWHCGFSZSA-N 1 2 252.358 2.486 20 30 CEEDLO COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@@H]1C#N ZINC001173456436 815737039 /nfs/dbraw/zinc/73/70/39/815737039.db2.gz CIVYOPFYWQWBNI-QWHCGFSZSA-N 1 2 252.358 2.486 20 30 CEEDLO CCOC(=O)[C@@H]1CC12CCC([NH+]1CC(C)(C#N)C1)CC2 ZINC001173608758 815762367 /nfs/dbraw/zinc/76/23/67/815762367.db2.gz RKWAHQKKNFHCGY-UYJPIKCFSA-N 1 2 276.380 2.344 20 30 CEEDLO C=C(C)COc1ccccc1C[NH+]1CCN(C)CC1 ZINC001138663594 815864494 /nfs/dbraw/zinc/86/44/94/815864494.db2.gz ZLPREIWJYPLWDC-UHFFFAOYSA-N 1 2 260.381 2.389 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC001139490280 816034453 /nfs/dbraw/zinc/03/44/53/816034453.db2.gz JFRLIUDWXSYSRJ-OAHLLOKOSA-N 1 2 295.390 2.452 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC001139490280 816034459 /nfs/dbraw/zinc/03/44/59/816034459.db2.gz JFRLIUDWXSYSRJ-OAHLLOKOSA-N 1 2 295.390 2.452 20 30 CEEDLO N#Cc1ncc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC001174523444 816035078 /nfs/dbraw/zinc/03/50/78/816035078.db2.gz NZAWSKZJEDGQBZ-UHFFFAOYSA-N 1 2 280.335 2.477 20 30 CEEDLO N#Cc1cc(N)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979709 816123699 /nfs/dbraw/zinc/12/36/99/816123699.db2.gz RXYQLZUBQSXCKS-UHFFFAOYSA-N 1 2 295.346 2.116 20 30 CEEDLO Cn1ncc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC001139950362 816148795 /nfs/dbraw/zinc/14/87/95/816148795.db2.gz FJGWWCCVHHQXLY-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1ncc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC001139950362 816148798 /nfs/dbraw/zinc/14/87/98/816148798.db2.gz FJGWWCCVHHQXLY-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO Nc1ccccc1C(NO)=[NH+]c1cnc2cccnc2c1 ZINC001175358996 816181332 /nfs/dbraw/zinc/18/13/32/816181332.db2.gz QKPPCHAUGMPIJF-UHFFFAOYSA-N 1 2 279.303 2.269 20 30 CEEDLO CC(C)NC(=O)c1ccc(C[N@H+](C)CCC#N)cc1 ZINC001140612584 816303891 /nfs/dbraw/zinc/30/38/91/816303891.db2.gz RVWNDFUWWVMIJA-UHFFFAOYSA-N 1 2 259.353 2.170 20 30 CEEDLO CC(C)NC(=O)c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001140612584 816303898 /nfs/dbraw/zinc/30/38/98/816303898.db2.gz RVWNDFUWWVMIJA-UHFFFAOYSA-N 1 2 259.353 2.170 20 30 CEEDLO C[N@H+](Cc1ccno1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756176 816346495 /nfs/dbraw/zinc/34/64/95/816346495.db2.gz HEQUXCZYVFOJTF-UHFFFAOYSA-N 1 2 263.247 2.456 20 30 CEEDLO C[N@@H+](Cc1ccno1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756176 816346501 /nfs/dbraw/zinc/34/65/01/816346501.db2.gz HEQUXCZYVFOJTF-UHFFFAOYSA-N 1 2 263.247 2.456 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3ccn4ccnc4c3)CC[C@H]2S1 ZINC001141047217 816457944 /nfs/dbraw/zinc/45/79/44/816457944.db2.gz CWAKMAXOFUJOMK-CYBMUJFWSA-N 1 2 285.372 2.108 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3ccn4ccnc4c3)CC[C@H]2S1 ZINC001141047217 816457949 /nfs/dbraw/zinc/45/79/49/816457949.db2.gz CWAKMAXOFUJOMK-CYBMUJFWSA-N 1 2 285.372 2.108 20 30 CEEDLO O=C(Cc1c[nH+]c[nH]1)N1CCC(C#Cc2ccccc2)CC1 ZINC001176831328 816479161 /nfs/dbraw/zinc/47/91/61/816479161.db2.gz PJPGOYWYCALNOW-UHFFFAOYSA-N 1 2 293.370 2.243 20 30 CEEDLO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167499 816495401 /nfs/dbraw/zinc/49/54/01/816495401.db2.gz MLEJYVKGRMFXIC-LLVKDONJSA-N 1 2 276.311 2.082 20 30 CEEDLO COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167499 816495405 /nfs/dbraw/zinc/49/54/05/816495405.db2.gz MLEJYVKGRMFXIC-LLVKDONJSA-N 1 2 276.311 2.082 20 30 CEEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC001176965284 816500875 /nfs/dbraw/zinc/50/08/75/816500875.db2.gz OIPZCRAGSFJSKR-LSDHHAIUSA-N 1 2 298.390 2.060 20 30 CEEDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174025 816799167 /nfs/dbraw/zinc/79/91/67/816799167.db2.gz KKLZMFXAKOZNKI-NSHDSACASA-N 1 2 294.301 2.364 20 30 CEEDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174025 816799174 /nfs/dbraw/zinc/79/91/74/816799174.db2.gz 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219109700 /nfs/dbraw/zinc/10/97/00/219109700.db2.gz AMUQPQFAGUPBAF-PBHICJAKSA-N 1 2 297.402 2.249 20 30 CEEDLO C[C@H](NCc1cccc(F)c1C#N)c1[nH+]ccn1C ZINC000602030123 346964910 /nfs/dbraw/zinc/96/49/10/346964910.db2.gz ZNAROODGGOETRF-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO N#Cc1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)nc1 ZINC000068320627 343761255 /nfs/dbraw/zinc/76/12/55/343761255.db2.gz NVQBPOZTYVGEJV-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO CCc1c[nH]c(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000602051494 346966416 /nfs/dbraw/zinc/96/64/16/346966416.db2.gz GIFNHFSRBWDHTG-NSHDSACASA-N 1 2 282.347 2.264 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976371 343798436 /nfs/dbraw/zinc/79/84/36/343798436.db2.gz HBCNFWCWOPAPCN-CQSZACIVSA-N 1 2 260.337 2.287 20 30 CEEDLO N#CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976371 343798438 /nfs/dbraw/zinc/79/84/38/343798438.db2.gz HBCNFWCWOPAPCN-CQSZACIVSA-N 1 2 260.337 2.287 20 30 CEEDLO CCc1c[nH]c(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)[nH+]1 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267.336 2.405 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2OCC)CC1 ZINC000052000965 362458945 /nfs/dbraw/zinc/45/89/45/362458945.db2.gz BKNNCXTZAJAVER-UHFFFAOYSA-N 1 2 288.391 2.419 20 30 CEEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2n[nH]cc2Br)C1 ZINC000381646906 344824859 /nfs/dbraw/zinc/82/48/59/344824859.db2.gz QRROYOIEHZUQPC-IUCAKERBSA-N 1 2 283.173 2.344 20 30 CEEDLO C[C@@]1(C#N)CCCN(CC#CC[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000585753840 345013513 /nfs/dbraw/zinc/01/35/13/345013513.db2.gz ACVNFVRWDCCGEG-ROUUACIJSA-N 1 2 298.434 2.241 20 30 CEEDLO C[C@@]1(C#N)CCCN(CC#CC[N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000585753840 345013514 /nfs/dbraw/zinc/01/35/14/345013514.db2.gz ACVNFVRWDCCGEG-ROUUACIJSA-N 1 2 298.434 2.241 20 30 CEEDLO COCCN(CCC#N)C(=O)Nc1c(C)cc[nH+]c1C ZINC000588301792 345045440 /nfs/dbraw/zinc/04/54/40/345045440.db2.gz QHEMPANUZUCRSU-UHFFFAOYSA-N 1 2 276.340 2.092 20 30 CEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)CC(C)(C)C#N ZINC000589164484 345068511 /nfs/dbraw/zinc/06/85/11/345068511.db2.gz 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/nfs/dbraw/zinc/32/43/54/345324354.db2.gz OROMBYOGRYLCNB-YPMHNXCESA-N 1 2 299.296 2.088 20 30 CEEDLO C[N@H+](Cc1ccncc1C#N)[C@H](CO)c1ccccc1 ZINC000592066607 345317479 /nfs/dbraw/zinc/31/74/79/345317479.db2.gz AHBRBTQSRRDZOI-MRXNPFEDSA-N 1 2 267.332 2.119 20 30 CEEDLO C[N@@H+](Cc1ccncc1C#N)[C@H](CO)c1ccccc1 ZINC000592066607 345317481 /nfs/dbraw/zinc/31/74/81/345317481.db2.gz AHBRBTQSRRDZOI-MRXNPFEDSA-N 1 2 267.332 2.119 20 30 CEEDLO CC[N@H+](Cc1ccncc1)Cc1ccncc1C#N ZINC000592091160 345321222 /nfs/dbraw/zinc/32/12/22/345321222.db2.gz YBHGEJRXWWRWFK-UHFFFAOYSA-N 1 2 252.321 2.370 20 30 CEEDLO CC[N@@H+](Cc1ccncc1)Cc1ccncc1C#N ZINC000592091160 345321224 /nfs/dbraw/zinc/32/12/24/345321224.db2.gz YBHGEJRXWWRWFK-UHFFFAOYSA-N 1 2 252.321 2.370 20 30 CEEDLO CSc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591772138 345279669 /nfs/dbraw/zinc/27/96/69/345279669.db2.gz ZSQPLHXRKCQLIA-CYBMUJFWSA-N 1 2 279.409 2.027 20 30 CEEDLO CSc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591772138 345279672 /nfs/dbraw/zinc/27/96/72/345279672.db2.gz ZSQPLHXRKCQLIA-CYBMUJFWSA-N 1 2 279.409 2.027 20 30 CEEDLO Cc1cc(N(C)C[C@@H]2CCCC[C@H]2O)c(C#N)c[nH+]1 ZINC000591822679 345285105 /nfs/dbraw/zinc/28/51/05/345285105.db2.gz TTXRYOQASQYZQX-SWLSCSKDSA-N 1 2 259.353 2.249 20 30 CEEDLO N#Cc1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000592442390 345353604 /nfs/dbraw/zinc/35/36/04/345353604.db2.gz PAUHKIQXYPVPAS-UHFFFAOYSA-N 1 2 265.316 2.457 20 30 CEEDLO COc1ncncc1CNc1[nH+]cccc1OCCCC#N ZINC000592458086 345355799 /nfs/dbraw/zinc/35/57/99/345355799.db2.gz MVEATYWSSQXGEV-UHFFFAOYSA-N 1 2 299.334 2.175 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000592151618 345330939 /nfs/dbraw/zinc/33/09/39/345330939.db2.gz OPKNKBSCHFXBOM-OAHLLOKOSA-N 1 2 274.751 2.042 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000592151618 345330941 /nfs/dbraw/zinc/33/09/41/345330941.db2.gz OPKNKBSCHFXBOM-OAHLLOKOSA-N 1 2 274.751 2.042 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000592153697 345331793 /nfs/dbraw/zinc/33/17/93/345331793.db2.gz NWTCNUIZWZMGPD-ZDUSSCGKSA-N 1 2 268.719 2.330 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000592153697 345331796 /nfs/dbraw/zinc/33/17/96/345331796.db2.gz NWTCNUIZWZMGPD-ZDUSSCGKSA-N 1 2 268.719 2.330 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061617 345430744 /nfs/dbraw/zinc/43/07/44/345430744.db2.gz KKHRVCYGMKCZJQ-RISCZKNCSA-N 1 2 289.335 2.466 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061617 345430747 /nfs/dbraw/zinc/43/07/47/345430747.db2.gz KKHRVCYGMKCZJQ-RISCZKNCSA-N 1 2 289.335 2.466 20 30 CEEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CCC#N ZINC000593093396 345437292 /nfs/dbraw/zinc/43/72/92/345437292.db2.gz VANAMZLHKCALGQ-LBPRGKRZSA-N 1 2 252.358 2.486 20 30 CEEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCC#N ZINC000593093396 345437296 /nfs/dbraw/zinc/43/72/96/345437296.db2.gz VANAMZLHKCALGQ-LBPRGKRZSA-N 1 2 252.358 2.486 20 30 CEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]2COC[C@H]2O1 ZINC000593117649 345443112 /nfs/dbraw/zinc/44/31/12/345443112.db2.gz OUDQCVQEJITJDV-HUUCEWRRSA-N 1 2 290.338 2.076 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]2COC[C@H]2O1 ZINC000593117649 345443113 /nfs/dbraw/zinc/44/31/13/345443113.db2.gz OUDQCVQEJITJDV-HUUCEWRRSA-N 1 2 290.338 2.076 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000593119549 345443441 /nfs/dbraw/zinc/44/34/41/345443441.db2.gz ZPXLFLCEJMKUAH-JTQLQIEISA-N 1 2 255.293 2.246 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000593119549 345443446 /nfs/dbraw/zinc/44/34/46/345443446.db2.gz ZPXLFLCEJMKUAH-JTQLQIEISA-N 1 2 255.293 2.246 20 30 CEEDLO CCn1cc(CC[N@@H+]2Cc3cccc(C#N)c3C2)cn1 ZINC000593127899 345445820 /nfs/dbraw/zinc/44/58/20/345445820.db2.gz XORNXVUVUZYVOW-UHFFFAOYSA-N 1 2 266.348 2.333 20 30 CEEDLO CCn1cc(CC[N@H+]2Cc3cccc(C#N)c3C2)cn1 ZINC000593127899 345445823 /nfs/dbraw/zinc/44/58/23/345445823.db2.gz XORNXVUVUZYVOW-UHFFFAOYSA-N 1 2 266.348 2.333 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1 ZINC000593154574 345447899 /nfs/dbraw/zinc/44/78/99/345447899.db2.gz LNXMUJHDPBVHMC-CQSZACIVSA-N 1 2 281.306 2.198 20 30 CEEDLO C[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000593972065 345558732 /nfs/dbraw/zinc/55/87/32/345558732.db2.gz NAQFEYIDUXJUJM-NSHDSACASA-N 1 2 284.367 2.151 20 30 CEEDLO N#Cc1ccc(C2([NH2+]Cc3nnnn3C3CC3)CCC2)cc1 ZINC000594029859 345569510 /nfs/dbraw/zinc/56/95/10/345569510.db2.gz INVWCXKAEKTFGV-UHFFFAOYSA-N 1 2 294.362 2.049 20 30 CEEDLO Cc1nnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)[nH]1 ZINC000594035814 345570702 /nfs/dbraw/zinc/57/07/02/345570702.db2.gz RYCGDROBMFUVPY-UHFFFAOYSA-N 1 2 267.336 2.154 20 30 CEEDLO CC1(C)C[NH+](CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000594348491 345615144 /nfs/dbraw/zinc/61/51/44/345615144.db2.gz UTVAKYCFSXRMMO-HNNXBMFYSA-N 1 2 283.375 2.004 20 30 CEEDLO COc1c(C)[nH+]cnc1N(C)Cc1cccc(C#N)c1 ZINC000594544021 345645335 /nfs/dbraw/zinc/64/53/35/345645335.db2.gz ZQIOVITUGKLVOP-UHFFFAOYSA-N 1 2 268.320 2.302 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C#N)CC1 ZINC000057880621 362599378 /nfs/dbraw/zinc/59/93/78/362599378.db2.gz JRWFZCPBBMSQAX-NSHDSACASA-N 1 2 275.327 2.388 20 30 CEEDLO N#CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000057875327 362599455 /nfs/dbraw/zinc/59/94/55/362599455.db2.gz LDEXXQBKCQFVTG-UHFFFAOYSA-N 1 2 251.311 2.392 20 30 CEEDLO N#CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000057907142 362600824 /nfs/dbraw/zinc/60/08/24/362600824.db2.gz CAPQQXLDDOYBRF-UHFFFAOYSA-N 1 2 291.782 2.192 20 30 CEEDLO C=C[C@@H]([NH2+]CCc1cn(C)c2ccccc12)C(=O)OC ZINC000594724745 345679116 /nfs/dbraw/zinc/67/91/16/345679116.db2.gz HDEKQILJAVJHST-CQSZACIVSA-N 1 2 272.348 2.038 20 30 CEEDLO N#Cc1cccc(C2([NH2+]Cc3ccn[nH]3)CCOCC2)c1 ZINC000594983187 345721454 /nfs/dbraw/zinc/72/14/54/345721454.db2.gz HAYZXGQHRKNQFY-UHFFFAOYSA-N 1 2 282.347 2.077 20 30 CEEDLO N#CCCN1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000595392233 345773025 /nfs/dbraw/zinc/77/30/25/345773025.db2.gz POHBASJWXJTGNR-UHFFFAOYSA-N 1 2 269.801 2.433 20 30 CEEDLO Cc1cn2c([nH+]1)CN([C@H](C#N)c1ccccc1)CC2 ZINC000595424932 345779118 /nfs/dbraw/zinc/77/91/18/345779118.db2.gz JEYDHZYVTSBTFQ-CQSZACIVSA-N 1 2 252.321 2.272 20 30 CEEDLO C=CCCSCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595724322 345860567 /nfs/dbraw/zinc/86/05/67/345860567.db2.gz XWBIWDSCQOJAAC-NSHDSACASA-N 1 2 282.413 2.090 20 30 CEEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623580 345830959 /nfs/dbraw/zinc/83/09/59/345830959.db2.gz UJVSGXDGRYBHSC-GFCCVEGCSA-N 1 2 290.367 2.021 20 30 CEEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623580 345830963 /nfs/dbraw/zinc/83/09/63/345830963.db2.gz UJVSGXDGRYBHSC-GFCCVEGCSA-N 1 2 290.367 2.021 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595644251 345836215 /nfs/dbraw/zinc/83/62/15/345836215.db2.gz UGNAPOIAJFJUGO-STQMWFEESA-N 1 2 289.383 2.299 20 30 CEEDLO C[C@H](NC(=O)NCc1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000595654646 345839537 /nfs/dbraw/zinc/83/95/37/345839537.db2.gz VMNFVAFRFNBODS-LBPRGKRZSA-N 1 2 297.362 2.047 20 30 CEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833011 345890234 /nfs/dbraw/zinc/89/02/34/345890234.db2.gz DWLGVOHYXBIGKW-CZUORRHYSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833011 345890237 /nfs/dbraw/zinc/89/02/37/345890237.db2.gz DWLGVOHYXBIGKW-CZUORRHYSA-N 1 2 277.412 2.402 20 30 CEEDLO COc1ccc(OC)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835390 345892170 /nfs/dbraw/zinc/89/21/70/345892170.db2.gz QYQASDUVEZJZQR-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccc(OC)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835390 345892174 /nfs/dbraw/zinc/89/21/74/345892174.db2.gz QYQASDUVEZJZQR-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccccc1OCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839840 345894704 /nfs/dbraw/zinc/89/47/04/345894704.db2.gz MIRGSLCKPQZAML-HNNXBMFYSA-N 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SIPXGMLHMIJFTP-ZDUSSCGKSA-N 1 2 282.351 2.296 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000596629446 346068289 /nfs/dbraw/zinc/06/82/89/346068289.db2.gz GHGOMFOOXVGJQD-CHWSQXEVSA-N 1 2 266.304 2.034 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)CC#N)c[nH+]1 ZINC000596819208 346093283 /nfs/dbraw/zinc/09/32/83/346093283.db2.gz OZGJISSCSPDENZ-GFCCVEGCSA-N 1 2 274.368 2.094 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000597085048 346126737 /nfs/dbraw/zinc/12/67/37/346126737.db2.gz AZYGCXNOARPEHS-MRVPVSSYSA-N 1 2 260.263 2.221 20 30 CEEDLO Cc1ncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)n1C ZINC000597132289 346132684 /nfs/dbraw/zinc/13/26/84/346132684.db2.gz OFGKZVBMKZGFRV-UHFFFAOYSA-N 1 2 295.390 2.181 20 30 CEEDLO CCN(CC)c1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000597194388 346145506 /nfs/dbraw/zinc/14/55/06/346145506.db2.gz SJEDZDCHKHBZFS-UHFFFAOYSA-N 1 2 264.398 2.335 20 30 CEEDLO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232709 346156610 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/nfs/dbraw/zinc/13/01/57/372130157.db2.gz LAZMSKTVAZMBOH-MRXNPFEDSA-N 1 2 286.379 2.026 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000268540974 372130164 /nfs/dbraw/zinc/13/01/64/372130164.db2.gz LAZMSKTVAZMBOH-MRXNPFEDSA-N 1 2 286.379 2.026 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)c1c[nH]c2ccccc21 ZINC000362046679 372185345 /nfs/dbraw/zinc/18/53/45/372185345.db2.gz KGHMCNLJADJKPH-UHFFFAOYSA-N 1 2 272.348 2.485 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)c1c[nH]c2ccccc21 ZINC000362046679 372185352 /nfs/dbraw/zinc/18/53/52/372185352.db2.gz KGHMCNLJADJKPH-UHFFFAOYSA-N 1 2 272.348 2.485 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCCCc2ccccc2)nn1 ZINC000640945757 372190811 /nfs/dbraw/zinc/19/08/11/372190811.db2.gz ZUOAFKXANQESGW-UHFFFAOYSA-N 1 2 282.391 2.414 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccccc2C)nn1 ZINC000641079307 372289794 /nfs/dbraw/zinc/28/97/94/372289794.db2.gz KJZSJWRVINPVEJ-CQSZACIVSA-N 1 2 268.364 2.309 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccccc2C)nn1 ZINC000641079305 372290209 /nfs/dbraw/zinc/29/02/09/372290209.db2.gz KJZSJWRVINPVEJ-AWEZNQCLSA-N 1 2 268.364 2.309 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccsc2Cl)nn1 ZINC000641067420 372271928 /nfs/dbraw/zinc/27/19/28/372271928.db2.gz YCHDZICGGDHNIZ-UHFFFAOYSA-N 1 2 280.784 2.154 20 30 CEEDLO C=CCCC[C@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000641234181 372401949 /nfs/dbraw/zinc/40/19/49/372401949.db2.gz DNXXATHMGNXXKQ-AWEZNQCLSA-N 1 2 278.400 2.070 20 30 CEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000362578993 372438968 /nfs/dbraw/zinc/43/89/68/372438968.db2.gz GRRVTBKHSDLMNN-NSHDSACASA-N 1 2 291.370 2.432 20 30 CEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000362578993 372438979 /nfs/dbraw/zinc/43/89/79/372438979.db2.gz GRRVTBKHSDLMNN-NSHDSACASA-N 1 2 291.370 2.432 20 30 CEEDLO CC1=CC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000270096054 372662819 /nfs/dbraw/zinc/66/28/19/372662819.db2.gz BFGPDTHBTHDSMJ-UHFFFAOYSA-N 1 2 261.350 2.210 20 30 CEEDLO CC1=CC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000270096054 372662823 /nfs/dbraw/zinc/66/28/23/372662823.db2.gz BFGPDTHBTHDSMJ-UHFFFAOYSA-N 1 2 261.350 2.210 20 30 CEEDLO C=CCCOCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000270260197 372722525 /nfs/dbraw/zinc/72/25/25/372722525.db2.gz QNOBRQZGLJPHRV-UHFFFAOYSA-N 1 2 299.374 2.254 20 30 CEEDLO CCc1nnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000270706765 372910603 /nfs/dbraw/zinc/91/06/03/372910603.db2.gz KCWVUNCSUXGMDW-JTQLQIEISA-N 1 2 255.325 2.090 20 30 CEEDLO C=CCSCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000271026819 373077611 /nfs/dbraw/zinc/07/76/11/373077611.db2.gz CHQHDSYNKRPJCV-UHFFFAOYSA-N 1 2 281.429 2.392 20 30 CEEDLO C=CCSCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000271026819 373077620 /nfs/dbraw/zinc/07/76/20/373077620.db2.gz CHQHDSYNKRPJCV-UHFFFAOYSA-N 1 2 281.429 2.392 20 30 CEEDLO N#C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CCCCC1 ZINC000369133515 373341949 /nfs/dbraw/zinc/34/19/49/373341949.db2.gz DHQNYYFRAUUPFC-OCCSQVGLSA-N 1 2 286.379 2.418 20 30 CEEDLO N#C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)C1CCCCC1 ZINC000369133515 373341955 /nfs/dbraw/zinc/34/19/55/373341955.db2.gz DHQNYYFRAUUPFC-OCCSQVGLSA-N 1 2 286.379 2.418 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CCCCC1 ZINC000369133513 373341979 /nfs/dbraw/zinc/34/19/79/373341979.db2.gz DHQNYYFRAUUPFC-GXTWGEPZSA-N 1 2 286.379 2.418 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)C1CCCCC1 ZINC000369133513 373341984 /nfs/dbraw/zinc/34/19/84/373341984.db2.gz DHQNYYFRAUUPFC-GXTWGEPZSA-N 1 2 286.379 2.418 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000644623216 373568027 /nfs/dbraw/zinc/56/80/27/373568027.db2.gz AKBFABBEQZGPGY-UHFFFAOYSA-N 1 2 260.337 2.274 20 30 CEEDLO C#CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000274124637 373818437 /nfs/dbraw/zinc/81/84/37/373818437.db2.gz HIPSXFRWEOCYGZ-UHFFFAOYSA-N 1 2 298.302 2.242 20 30 CEEDLO C#CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000274124637 373818445 /nfs/dbraw/zinc/81/84/45/373818445.db2.gz HIPSXFRWEOCYGZ-UHFFFAOYSA-N 1 2 298.302 2.242 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000274248404 373854791 /nfs/dbraw/zinc/85/47/91/373854791.db2.gz JEQFUYGNCWUXMQ-UHFFFAOYSA-N 1 2 285.307 2.189 20 30 CEEDLO C[N@H+](CC#N)C1CCN(c2ncnc3ccccc32)CC1 ZINC000371879048 373996831 /nfs/dbraw/zinc/99/68/31/373996831.db2.gz ARHUDGJZYJOKTK-UHFFFAOYSA-N 1 2 281.363 2.054 20 30 CEEDLO C[N@@H+](CC#N)C1CCN(c2ncnc3ccccc32)CC1 ZINC000371879048 373996837 /nfs/dbraw/zinc/99/68/37/373996837.db2.gz ARHUDGJZYJOKTK-UHFFFAOYSA-N 1 2 281.363 2.054 20 30 CEEDLO C#CCOc1ccccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274877574 374080146 /nfs/dbraw/zinc/08/01/46/374080146.db2.gz VQJSSTIDQFQMMA-ZDUSSCGKSA-N 1 2 298.346 2.105 20 30 CEEDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000372124932 374048973 /nfs/dbraw/zinc/04/89/73/374048973.db2.gz WYUXNCROXRUPPW-INIZCTEOSA-N 1 2 274.364 2.184 20 30 CEEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000372124932 374048978 /nfs/dbraw/zinc/04/89/78/374048978.db2.gz WYUXNCROXRUPPW-INIZCTEOSA-N 1 2 274.364 2.184 20 30 CEEDLO C=CC[C@H](C(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000275227032 374189444 /nfs/dbraw/zinc/18/94/44/374189444.db2.gz DXCMYFWQRIDOJJ-AWEZNQCLSA-N 1 2 269.348 2.396 20 30 CEEDLO C=Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000373210713 374294888 /nfs/dbraw/zinc/29/48/88/374294888.db2.gz QCWRLLFPVWVPFL-QGZVFWFLSA-N 1 2 294.358 2.429 20 30 CEEDLO C=Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000373210713 374294892 /nfs/dbraw/zinc/29/48/92/374294892.db2.gz QCWRLLFPVWVPFL-QGZVFWFLSA-N 1 2 294.358 2.429 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276969555 374363407 /nfs/dbraw/zinc/36/34/07/374363407.db2.gz OMVHGDRCKUAUAW-UHFFFAOYSA-N 1 2 298.390 2.335 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000277429835 374516232 /nfs/dbraw/zinc/51/62/32/374516232.db2.gz JLEVGERTMKQSPW-VBKZILBWSA-N 1 2 293.432 2.452 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000277429835 374516241 /nfs/dbraw/zinc/51/62/41/374516241.db2.gz JLEVGERTMKQSPW-VBKZILBWSA-N 1 2 293.432 2.452 20 30 CEEDLO CC#CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000277494197 374542696 /nfs/dbraw/zinc/54/26/96/374542696.db2.gz RMJKDVMUEILBOU-KBPBESRZSA-N 1 2 286.375 2.258 20 30 CEEDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000334197240 206178207 /nfs/dbraw/zinc/17/82/07/206178207.db2.gz IWCRWEFNXNWPIA-ZANVPECISA-N 1 2 295.180 2.276 20 30 CEEDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000334197240 206178210 /nfs/dbraw/zinc/17/82/10/206178210.db2.gz IWCRWEFNXNWPIA-ZANVPECISA-N 1 2 295.180 2.276 20 30 CEEDLO C#CCC(CC#C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000277824356 374658504 /nfs/dbraw/zinc/65/85/04/374658504.db2.gz XFCCYWWUZRUDJE-AWEZNQCLSA-N 1 2 269.348 2.126 20 30 CEEDLO C=CCCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000279632641 374937226 /nfs/dbraw/zinc/93/72/26/374937226.db2.gz UULKMFGBZBAMRI-UHFFFAOYSA-N 1 2 272.352 2.408 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)CCC(F)(F)F)n1 ZINC000279822849 375000977 /nfs/dbraw/zinc/00/09/77/375000977.db2.gz YVARHRVCTBOQFY-UHFFFAOYSA-N 1 2 259.275 2.291 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)CCC(F)(F)F)n1 ZINC000279822849 375000981 /nfs/dbraw/zinc/00/09/81/375000981.db2.gz YVARHRVCTBOQFY-UHFFFAOYSA-N 1 2 259.275 2.291 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000280764146 375313952 /nfs/dbraw/zinc/31/39/52/375313952.db2.gz NSZZYGQJNVUSKF-PSASIEDQSA-N 1 2 268.748 2.105 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc(N)c1Cl ZINC000280764146 375313957 /nfs/dbraw/zinc/31/39/57/375313957.db2.gz NSZZYGQJNVUSKF-PSASIEDQSA-N 1 2 268.748 2.105 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(CC=C)C1=O ZINC000281143916 375359436 /nfs/dbraw/zinc/35/94/36/375359436.db2.gz AZHJMKNUAHHPPJ-INIZCTEOSA-N 1 2 286.350 2.048 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCN(CC=C)C1=O ZINC000281143916 375359442 /nfs/dbraw/zinc/35/94/42/375359442.db2.gz AZHJMKNUAHHPPJ-INIZCTEOSA-N 1 2 286.350 2.048 20 30 CEEDLO CC(C)n1ncnc1C[NH+]1CCC(CCC#N)CC1 ZINC000399277708 375361991 /nfs/dbraw/zinc/36/19/91/375361991.db2.gz ACZNEZDQWRNEAQ-UHFFFAOYSA-N 1 2 261.373 2.375 20 30 CEEDLO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1C#N ZINC000282251708 375439365 /nfs/dbraw/zinc/43/93/65/375439365.db2.gz JMPBXENGADUFCV-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO COc1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1C#N ZINC000282251708 375439368 /nfs/dbraw/zinc/43/93/68/375439368.db2.gz JMPBXENGADUFCV-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(F)cccc1Cl ZINC000414140423 375798165 /nfs/dbraw/zinc/79/81/65/375798165.db2.gz GZQWAHMEGAUHPZ-JTQLQIEISA-N 1 2 286.734 2.064 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(F)cccc1Cl ZINC000414140423 375798169 /nfs/dbraw/zinc/79/81/69/375798169.db2.gz GZQWAHMEGAUHPZ-JTQLQIEISA-N 1 2 286.734 2.064 20 30 CEEDLO CC(C)(CC#N)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000414167730 375799131 /nfs/dbraw/zinc/79/91/31/375799131.db2.gz POUSCWWJFFSCDH-ZDUSSCGKSA-N 1 2 269.352 2.424 20 30 CEEDLO Cc1nsc(N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000285688635 375841865 /nfs/dbraw/zinc/84/18/65/375841865.db2.gz QNTQLBLPKNZYCH-UHFFFAOYSA-N 1 2 285.376 2.045 20 30 CEEDLO COCCCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000419395728 376449597 /nfs/dbraw/zinc/44/95/97/376449597.db2.gz YPGDVACIIRSKQD-UHFFFAOYSA-N 1 2 277.324 2.325 20 30 CEEDLO COCCCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000419395728 376449607 /nfs/dbraw/zinc/44/96/07/376449607.db2.gz YPGDVACIIRSKQD-UHFFFAOYSA-N 1 2 277.324 2.325 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000289722994 376464177 /nfs/dbraw/zinc/46/41/77/376464177.db2.gz FSWZNLKDWVWKFY-SECBINFHSA-N 1 2 262.136 2.336 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000334297381 206328648 /nfs/dbraw/zinc/32/86/48/206328648.db2.gz CVUIAAGZDAGDDO-LBPRGKRZSA-N 1 2 298.321 2.061 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000559505418 376680828 /nfs/dbraw/zinc/68/08/28/376680828.db2.gz GZLRVIDENVTENM-CYBMUJFWSA-N 1 2 295.346 2.005 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000559505420 376682177 /nfs/dbraw/zinc/68/21/77/376682177.db2.gz GZLRVIDENVTENM-ZDUSSCGKSA-N 1 2 295.346 2.005 20 30 CEEDLO C[C@@H](CC#N)N(C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945914 376746161 /nfs/dbraw/zinc/74/61/61/376746161.db2.gz ZJMJOJVNWNDMLB-HNNXBMFYSA-N 1 2 287.407 2.253 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573373 376828792 /nfs/dbraw/zinc/82/87/92/376828792.db2.gz AKFXDPAZQAKLLH-ZDUSSCGKSA-N 1 2 262.353 2.296 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1C[C@@H]2CCC[C@H]2C1 ZINC000328610665 376858711 /nfs/dbraw/zinc/85/87/11/376858711.db2.gz NWSXSRPCAIWABB-IHRRRGAJSA-N 1 2 288.395 2.406 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000328658333 376874658 /nfs/dbraw/zinc/87/46/58/376874658.db2.gz QVTLGGULAVDHKA-GHMZBOCLSA-N 1 2 287.310 2.470 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CC=CCC2)C1 ZINC000328771098 376895267 /nfs/dbraw/zinc/89/52/67/376895267.db2.gz ALBGHYLDJVCITN-UONOGXRCSA-N 1 2 288.395 2.480 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NCC1CC1)C2 ZINC000329276023 376935873 /nfs/dbraw/zinc/93/58/73/376935873.db2.gz KZHLPHFFVUCYOO-LBPRGKRZSA-N 1 2 290.411 2.409 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]CC1CC1)C2 ZINC000329276023 376935879 /nfs/dbraw/zinc/93/58/79/376935879.db2.gz KZHLPHFFVUCYOO-LBPRGKRZSA-N 1 2 290.411 2.409 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1scnc1C1CC1 ZINC000329324889 376946679 /nfs/dbraw/zinc/94/66/79/376946679.db2.gz SQGVJBRGWHLOOJ-UHFFFAOYSA-N 1 2 291.380 2.432 20 30 CEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000290983559 377015564 /nfs/dbraw/zinc/01/55/64/377015564.db2.gz YXDQWRHZQIGFDW-CJNGLKHVSA-N 1 2 291.395 2.284 20 30 CEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@]12CCOC2 ZINC000329692723 376995199 /nfs/dbraw/zinc/99/51/99/376995199.db2.gz 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377489073 /nfs/dbraw/zinc/48/90/73/377489073.db2.gz OMWZNYZSVVPKJG-AWEZNQCLSA-N 1 2 292.354 2.325 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000565172780 377587118 /nfs/dbraw/zinc/58/71/18/377587118.db2.gz MSABNDHVERHRCV-LBPRGKRZSA-N 1 2 275.352 2.224 20 30 CEEDLO CCCC(CCC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565894143 377703668 /nfs/dbraw/zinc/70/36/68/377703668.db2.gz FAOBYKLGIMZWDU-AWEZNQCLSA-N 1 2 253.390 2.163 20 30 CEEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433294478 377784258 /nfs/dbraw/zinc/78/42/58/377784258.db2.gz MEANOLASBGBCMQ-CYBMUJFWSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433294478 377784268 /nfs/dbraw/zinc/78/42/68/377784268.db2.gz MEANOLASBGBCMQ-CYBMUJFWSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC#N)cc1 ZINC000566431951 377759833 /nfs/dbraw/zinc/75/98/33/377759833.db2.gz TYRGWULIGOVOAE-NSHDSACASA-N 1 2 268.320 2.293 20 30 CEEDLO 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COc1ncc(C[N@@H+](C)[C@H](C)CC#N)cc1Cl ZINC000532778736 380216534 /nfs/dbraw/zinc/21/65/34/380216534.db2.gz YTECCERXDALKSR-SECBINFHSA-N 1 2 253.733 2.478 20 30 CEEDLO C=CCC[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC000533515993 380217615 /nfs/dbraw/zinc/21/76/15/380217615.db2.gz ZRCGKMAXVSBZFJ-UHFFFAOYSA-N 1 2 259.349 2.253 20 30 CEEDLO Cc1cc(NC(=O)c2cc(C#N)cs2)c(C)c[nH+]1 ZINC000536575226 380227023 /nfs/dbraw/zinc/22/70/23/380227023.db2.gz KAUZPXIVPRDPRB-UHFFFAOYSA-N 1 2 257.318 2.306 20 30 CEEDLO Cc1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)c(C)c[nH+]1 ZINC000536619604 380228145 /nfs/dbraw/zinc/22/81/45/380228145.db2.gz PZTHMDKKXUXKJZ-SNVBAGLBSA-N 1 2 272.352 2.276 20 30 CEEDLO CCCn1cc(CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000545218958 380373875 /nfs/dbraw/zinc/37/38/75/380373875.db2.gz APUDHSIKWQMKKU-UHFFFAOYSA-N 1 2 255.325 2.366 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@](C)(C#N)CC ZINC000545518631 380389718 /nfs/dbraw/zinc/38/97/18/380389718.db2.gz PGMXPZTTYYKOHW-INIZCTEOSA-N 1 2 284.363 2.407 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000491692884 380344360 /nfs/dbraw/zinc/34/43/60/380344360.db2.gz BWZJCIVLWFBEKJ-GFCCVEGCSA-N 1 2 291.782 2.493 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000491692884 380344364 /nfs/dbraw/zinc/34/43/64/380344364.db2.gz BWZJCIVLWFBEKJ-GFCCVEGCSA-N 1 2 291.782 2.493 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492774152 380684267 /nfs/dbraw/zinc/68/42/67/380684267.db2.gz WJUWGDMUCMFMIW-FPLPWBNLSA-N 1 2 251.289 2.067 20 30 CEEDLO C#CCOc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492811697 380698096 /nfs/dbraw/zinc/69/80/96/380698096.db2.gz LGBMERFEZNDYKL-VMPITWQZSA-N 1 2 267.288 2.074 20 30 CEEDLO C#CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492815719 380699088 /nfs/dbraw/zinc/69/90/88/380699088.db2.gz XQOIYKPGXQOTBA-KVPUOBJLSA-N 1 2 265.316 2.304 20 30 CEEDLO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OC)c1 ZINC000554487813 380772044 /nfs/dbraw/zinc/77/20/44/380772044.db2.gz NTEZIIADHDISKK-LBPRGKRZSA-N 1 2 273.336 2.237 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)s1 ZINC000493148919 380818623 /nfs/dbraw/zinc/81/86/23/380818623.db2.gz JSANMCVCFJPMBI-SCXUMTSISA-N 1 2 297.811 2.375 20 30 CEEDLO COc1ccccc1-n1nccc1C[NH2+]CC1(C#N)CC1 ZINC000555708864 380844196 /nfs/dbraw/zinc/84/41/96/380844196.db2.gz VFGARSCQXABFJJ-UHFFFAOYSA-N 1 2 282.347 2.274 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2CF)c1C#N ZINC000555696978 380844514 /nfs/dbraw/zinc/84/45/14/380844514.db2.gz IMUQDRVOPCTEMH-LBPRGKRZSA-N 1 2 276.311 2.279 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2CF)c1C#N ZINC000555696978 380844528 /nfs/dbraw/zinc/84/45/28/380844528.db2.gz IMUQDRVOPCTEMH-LBPRGKRZSA-N 1 2 276.311 2.279 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C(C)(C)C#N)C[C@@H]2C1 ZINC000495933665 381192603 /nfs/dbraw/zinc/19/26/03/381192603.db2.gz VSBDCMYVGXYWHZ-TXEJJXNPSA-N 1 2 279.384 2.087 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C(C)(C)C#N)C[C@@H]2C1 ZINC000495933665 381192609 /nfs/dbraw/zinc/19/26/09/381192609.db2.gz VSBDCMYVGXYWHZ-TXEJJXNPSA-N 1 2 279.384 2.087 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000347031561 533120501 /nfs/dbraw/zinc/12/05/01/533120501.db2.gz FDABTEJGPJVAJE-JTQLQIEISA-N 1 2 268.320 2.399 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000353461869 533147108 /nfs/dbraw/zinc/14/71/08/533147108.db2.gz IARNIZFMTKSTDI-UONOGXRCSA-N 1 2 277.412 2.473 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000353461869 533147113 /nfs/dbraw/zinc/14/71/13/533147113.db2.gz IARNIZFMTKSTDI-UONOGXRCSA-N 1 2 277.412 2.473 20 30 CEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccnc1 ZINC000156516448 533339853 /nfs/dbraw/zinc/33/98/53/533339853.db2.gz VWQGHIZYOBLTLJ-ZDUSSCGKSA-N 1 2 294.358 2.412 20 30 CEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccnc1 ZINC000156516448 533339858 /nfs/dbraw/zinc/33/98/58/533339858.db2.gz VWQGHIZYOBLTLJ-ZDUSSCGKSA-N 1 2 294.358 2.412 20 30 CEEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329175017 533386720 /nfs/dbraw/zinc/38/67/20/533386720.db2.gz BHUDFQRYPABZFP-OUCADQQQSA-N 1 2 277.368 2.217 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1C#N ZINC000191183538 130199054 /nfs/dbraw/zinc/19/90/54/130199054.db2.gz XUKSIVRDDLZKPN-BZUAXINKSA-N 1 2 284.359 2.332 20 30 CEEDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1C#N ZINC000191183538 130199057 /nfs/dbraw/zinc/19/90/57/130199057.db2.gz XUKSIVRDDLZKPN-BZUAXINKSA-N 1 2 284.359 2.332 20 30 CEEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)o2)cn1 ZINC000191735873 130292658 /nfs/dbraw/zinc/29/26/58/130292658.db2.gz QTRJCPGRDPZFSL-CQSZACIVSA-N 1 2 288.376 2.175 20 30 CEEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)o2)cn1 ZINC000191735873 130292661 /nfs/dbraw/zinc/29/26/61/130292661.db2.gz QTRJCPGRDPZFSL-CQSZACIVSA-N 1 2 288.376 2.175 20 30 CEEDLO C=CCCC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000263976802 131372119 /nfs/dbraw/zinc/37/21/19/131372119.db2.gz JLEUFLCCOPJCHP-UHFFFAOYSA-N 1 2 257.337 2.427 20 30 CEEDLO Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)cn2cc[nH+]c12 ZINC000355429341 394450638 /nfs/dbraw/zinc/45/06/38/394450638.db2.gz DDGYBSJDNPZEJC-UHFFFAOYSA-N 1 2 292.298 2.472 20 30 CEEDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000038011404 394498144 /nfs/dbraw/zinc/49/81/44/394498144.db2.gz RJYKSLJHKBACIC-LLVKDONJSA-N 1 2 270.336 2.471 20 30 CEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1Cc2ccccc2CO1 ZINC000329534477 394570618 /nfs/dbraw/zinc/57/06/18/394570618.db2.gz KWIKIYLEIZIDLL-AWEZNQCLSA-N 1 2 298.346 2.059 20 30 CEEDLO O=C(NCC[C@@H]1CCOC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329535550 394570704 /nfs/dbraw/zinc/57/07/04/394570704.db2.gz ZMNPMXZFQDVLSL-HIFRSBDPSA-N 1 2 296.411 2.013 20 30 CEEDLO O=C(NCC[C@@H]1CCOC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329535550 394570709 /nfs/dbraw/zinc/57/07/09/394570709.db2.gz ZMNPMXZFQDVLSL-HIFRSBDPSA-N 1 2 296.411 2.013 20 30 CEEDLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[C@H]1O ZINC000329539269 394570928 /nfs/dbraw/zinc/57/09/28/394570928.db2.gz VXEMYQXRJDOVLZ-CHWSQXEVSA-N 1 2 288.351 2.115 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCOCC1 ZINC000329597166 394575754 /nfs/dbraw/zinc/57/57/54/394575754.db2.gz IWIAGPUBHQEIGY-GHMZBOCLSA-N 1 2 263.341 2.040 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCOCC1 ZINC000329597166 394575758 /nfs/dbraw/zinc/57/57/58/394575758.db2.gz IWIAGPUBHQEIGY-GHMZBOCLSA-N 1 2 263.341 2.040 20 30 CEEDLO CC(C)(C#N)Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329623079 394577247 /nfs/dbraw/zinc/57/72/47/394577247.db2.gz URRWFXKVHXIVOV-NWDGAFQWSA-N 1 2 290.367 2.088 20 30 CEEDLO CC(C)(C#N)Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329623079 394577249 /nfs/dbraw/zinc/57/72/49/394577249.db2.gz URRWFXKVHXIVOV-NWDGAFQWSA-N 1 2 290.367 2.088 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355761813 394524214 /nfs/dbraw/zinc/52/42/14/394524214.db2.gz CGXWNHYKHCYHOO-HOCLYGCPSA-N 1 2 294.439 2.491 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355761813 394524218 /nfs/dbraw/zinc/52/42/18/394524218.db2.gz CGXWNHYKHCYHOO-HOCLYGCPSA-N 1 2 294.439 2.491 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413316587 394524721 /nfs/dbraw/zinc/52/47/21/394524721.db2.gz PVSAWTOLEAGHEH-STQMWFEESA-N 1 2 290.411 2.308 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413316587 394524726 /nfs/dbraw/zinc/52/47/26/394524726.db2.gz PVSAWTOLEAGHEH-STQMWFEESA-N 1 2 290.411 2.308 20 30 CEEDLO C#CC[N@@H+](CN1CCOC1=S)[C@@H]1CCc2ccccc21 ZINC000049320263 394545372 /nfs/dbraw/zinc/54/53/72/394545372.db2.gz NSKUQPZKVIMTLZ-OAHLLOKOSA-N 1 2 286.400 2.184 20 30 CEEDLO C#CC[N@H+](CN1CCOC1=S)[C@@H]1CCc2ccccc21 ZINC000049320263 394545374 /nfs/dbraw/zinc/54/53/74/394545374.db2.gz NSKUQPZKVIMTLZ-OAHLLOKOSA-N 1 2 286.400 2.184 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)Nc1scnc1C1CC1 ZINC000328913799 394556090 /nfs/dbraw/zinc/55/60/90/394556090.db2.gz IMAFMXHLSXRWCD-UHFFFAOYSA-N 1 2 277.353 2.280 20 30 CEEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)COC2 ZINC000328928826 394557033 /nfs/dbraw/zinc/55/70/33/394557033.db2.gz GVIFGSPTVABIJW-ZDUSSCGKSA-N 1 2 283.331 2.302 20 30 CEEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)COC2 ZINC000328928826 394557038 /nfs/dbraw/zinc/55/70/38/394557038.db2.gz GVIFGSPTVABIJW-ZDUSSCGKSA-N 1 2 283.331 2.302 20 30 CEEDLO Cc1ncsc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328927502 394557074 /nfs/dbraw/zinc/55/70/74/394557074.db2.gz FWNHDONJBCYXJH-VIFPVBQESA-N 1 2 262.338 2.499 20 30 CEEDLO CC[C@@H](C)N(C)C([O-])=[NH+]CCCn1cc[nH+]c1C ZINC000330455852 394611844 /nfs/dbraw/zinc/61/18/44/394611844.db2.gz XBKNHCAJUBVAOI-LLVKDONJSA-N 1 2 252.362 2.226 20 30 CEEDLO C=CCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000333613990 394649499 /nfs/dbraw/zinc/64/94/99/394649499.db2.gz HGVLLZKATCCCNT-NWDGAFQWSA-N 1 2 263.341 2.114 20 30 CEEDLO C=CCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000333613990 394649503 /nfs/dbraw/zinc/64/95/03/394649503.db2.gz HGVLLZKATCCCNT-NWDGAFQWSA-N 1 2 263.341 2.114 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000115352131 394754989 /nfs/dbraw/zinc/75/49/89/394754989.db2.gz NXOXBXHGCQFGSF-CYBMUJFWSA-N 1 2 281.319 2.044 20 30 CEEDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000271386374 394755859 /nfs/dbraw/zinc/75/58/59/394755859.db2.gz SGOYROOWPWHESH-NSHDSACASA-N 1 2 287.392 2.426 20 30 CEEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000271386374 394755861 /nfs/dbraw/zinc/75/58/61/394755861.db2.gz SGOYROOWPWHESH-NSHDSACASA-N 1 2 287.392 2.426 20 30 CEEDLO C[C@H](N1CC[NH+](CCC(C)(C)C#N)CC1)C(F)(F)F ZINC000119714758 394771717 /nfs/dbraw/zinc/77/17/17/394771717.db2.gz UAVHVNUWSOCQFY-NSHDSACASA-N 1 2 277.334 2.495 20 30 CEEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H](C)C#N ZINC000335682544 394787892 /nfs/dbraw/zinc/78/78/92/394787892.db2.gz XESLABFUBIZZBD-SNVBAGLBSA-N 1 2 254.293 2.483 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(=O)OC ZINC000361112443 394816970 /nfs/dbraw/zinc/81/69/70/394816970.db2.gz YFQHGEOPXAWUEZ-KKUMJFAQSA-N 1 2 281.396 2.313 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCC1(F)F ZINC000336009089 394817812 /nfs/dbraw/zinc/81/78/12/394817812.db2.gz YPYSNJODYHDQCC-LLVKDONJSA-N 1 2 293.317 2.474 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCC1(F)F ZINC000336009089 394817818 /nfs/dbraw/zinc/81/78/18/394817818.db2.gz YPYSNJODYHDQCC-LLVKDONJSA-N 1 2 293.317 2.474 20 30 CEEDLO C=CCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000362305177 394852923 /nfs/dbraw/zinc/85/29/23/394852923.db2.gz SZMKEPHZYKLZSV-UHFFFAOYSA-N 1 2 297.362 2.127 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362369647 394856018 /nfs/dbraw/zinc/85/60/18/394856018.db2.gz HOQNPKHARPOSAR-CQSZACIVSA-N 1 2 298.390 2.348 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000362378835 394858320 /nfs/dbraw/zinc/85/83/20/394858320.db2.gz HGHMQAQTHSCZLZ-LBPRGKRZSA-N 1 2 270.336 2.246 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2ncccc2C1 ZINC000366437984 394945596 /nfs/dbraw/zinc/94/55/96/394945596.db2.gz KQGAZDPLAZEEQC-CQSZACIVSA-N 1 2 287.407 2.253 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2ncccc2C1 ZINC000366437984 394945597 /nfs/dbraw/zinc/94/55/97/394945597.db2.gz KQGAZDPLAZEEQC-CQSZACIVSA-N 1 2 287.407 2.253 20 30 CEEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366543731 394947907 /nfs/dbraw/zinc/94/79/07/394947907.db2.gz JCXBSKUZGLBUCA-CVEARBPZSA-N 1 2 272.348 2.342 20 30 CEEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366543731 394947910 /nfs/dbraw/zinc/94/79/10/394947910.db2.gz JCXBSKUZGLBUCA-CVEARBPZSA-N 1 2 272.348 2.342 20 30 CEEDLO CC#CCCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000367093715 394957055 /nfs/dbraw/zinc/95/70/55/394957055.db2.gz LVQMZHGAMRYPNT-INIZCTEOSA-N 1 2 288.366 2.492 20 30 CEEDLO Cc1nc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cc3)C2)no1 ZINC000368671635 394991631 /nfs/dbraw/zinc/99/16/31/394991631.db2.gz JJMXYHYCMGCYFY-HNNXBMFYSA-N 1 2 297.362 2.326 20 30 CEEDLO Cc1nc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cc3)C2)no1 ZINC000368671635 394991635 /nfs/dbraw/zinc/99/16/35/394991635.db2.gz JJMXYHYCMGCYFY-HNNXBMFYSA-N 1 2 297.362 2.326 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000370782172 395012306 /nfs/dbraw/zinc/01/23/06/395012306.db2.gz JJYNGCIZEGHYQM-NEPJUHHUSA-N 1 2 292.408 2.041 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]1c1nccs1 ZINC000370782172 395012308 /nfs/dbraw/zinc/01/23/08/395012308.db2.gz JJYNGCIZEGHYQM-NEPJUHHUSA-N 1 2 292.408 2.041 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000286319969 395019858 /nfs/dbraw/zinc/01/98/58/395019858.db2.gz WNWHXSDUCYOPTG-UHFFFAOYSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000286319969 395019862 /nfs/dbraw/zinc/01/98/62/395019862.db2.gz WNWHXSDUCYOPTG-UHFFFAOYSA-N 1 2 272.348 2.171 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N(C)c1ccc[nH+]c1N(C)C)OCC ZINC000339436474 394959562 /nfs/dbraw/zinc/95/95/62/394959562.db2.gz CPWFEAIILUSXHI-CQSZACIVSA-N 1 2 291.395 2.482 20 30 CEEDLO C#CC[N@@H+](CC(=O)N1CCCCC1)Cc1ccccc1 ZINC000285668351 394962073 /nfs/dbraw/zinc/96/20/73/394962073.db2.gz MMJVBMVQODJKPI-UHFFFAOYSA-N 1 2 270.376 2.134 20 30 CEEDLO C#CC[N@H+](CC(=O)N1CCCCC1)Cc1ccccc1 ZINC000285668351 394962077 /nfs/dbraw/zinc/96/20/77/394962077.db2.gz MMJVBMVQODJKPI-UHFFFAOYSA-N 1 2 270.376 2.134 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)[S@@]1=O ZINC000285798963 394964557 /nfs/dbraw/zinc/96/45/57/394964557.db2.gz FRUHTMLRJRRXGS-HGQUKEQDSA-N 1 2 276.405 2.290 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C)[S@@]1=O ZINC000285798963 394964558 /nfs/dbraw/zinc/96/45/58/394964558.db2.gz FRUHTMLRJRRXGS-HGQUKEQDSA-N 1 2 276.405 2.290 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000339760984 394970447 /nfs/dbraw/zinc/97/04/47/394970447.db2.gz YSUFTXSDOJEQON-UHFFFAOYSA-N 1 2 284.403 2.441 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000339760984 394970448 /nfs/dbraw/zinc/97/04/48/394970448.db2.gz YSUFTXSDOJEQON-UHFFFAOYSA-N 1 2 284.403 2.441 20 30 CEEDLO Cc1cc(NCc2cc(F)cc3c2OCOC3)c(C#N)c[nH+]1 ZINC000425227460 395053464 /nfs/dbraw/zinc/05/34/64/395053464.db2.gz OTWZSQAWCJCWNU-UHFFFAOYSA-N 1 2 299.305 2.301 20 30 CEEDLO Cc1cc(NC[C@@](C)(O)CCC(C)C)c(C#N)c[nH+]1 ZINC000425237334 395053912 /nfs/dbraw/zinc/05/39/12/395053912.db2.gz RSOIEONUZJLGCH-HNNXBMFYSA-N 1 2 261.369 2.283 20 30 CEEDLO Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425250010 395054843 /nfs/dbraw/zinc/05/48/43/395054843.db2.gz VEKDZZZKUTVNLF-CHWSQXEVSA-N 1 2 259.353 2.301 20 30 CEEDLO CCc1nnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000425543937 395062483 /nfs/dbraw/zinc/06/24/83/395062483.db2.gz ZWRFJGOQWUJFNE-NSHDSACASA-N 1 2 269.352 2.432 20 30 CEEDLO CCc1nnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000425543937 395062486 /nfs/dbraw/zinc/06/24/86/395062486.db2.gz ZWRFJGOQWUJFNE-NSHDSACASA-N 1 2 269.352 2.432 20 30 CEEDLO C#Cc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1 ZINC000289607693 395081959 /nfs/dbraw/zinc/08/19/59/395081959.db2.gz VPGXFUQUSIKIOM-UHFFFAOYSA-N 1 2 255.321 2.384 20 30 CEEDLO CC#CCCCC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000372107016 395035210 /nfs/dbraw/zinc/03/52/10/395035210.db2.gz DARBQPRTGXZWMT-CYBMUJFWSA-N 1 2 259.353 2.277 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]1c1ccccc1F ZINC000372716303 395045752 /nfs/dbraw/zinc/04/57/52/395045752.db2.gz LBXCXXWWESRQTQ-HNNXBMFYSA-N 1 2 289.354 2.335 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]1c1ccccc1F ZINC000372716303 395045756 /nfs/dbraw/zinc/04/57/56/395045756.db2.gz LBXCXXWWESRQTQ-HNNXBMFYSA-N 1 2 289.354 2.335 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372744769 395045878 /nfs/dbraw/zinc/04/58/78/395045878.db2.gz SQEXOZCLJJISPA-CQSZACIVSA-N 1 2 288.395 2.234 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1 ZINC000375935376 395104175 /nfs/dbraw/zinc/10/41/75/395104175.db2.gz ZZRGMQCVIRBGAL-VBKZILBWSA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cc1 ZINC000375935376 395104177 /nfs/dbraw/zinc/10/41/77/395104177.db2.gz ZZRGMQCVIRBGAL-VBKZILBWSA-N 1 2 291.416 2.042 20 30 CEEDLO C=CCN(CCc1ccccc1)C(=O)NCc1c[nH+]cn1C ZINC000291787167 395159238 /nfs/dbraw/zinc/15/92/38/395159238.db2.gz GLWLMZMUXPHHSN-UHFFFAOYSA-N 1 2 298.390 2.360 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC1(C#N)CCCCC1 ZINC000349244809 395162122 /nfs/dbraw/zinc/16/21/22/395162122.db2.gz ONLSLLNLRBWRSY-RYUDHWBXSA-N 1 2 290.367 2.056 20 30 CEEDLO COC[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000178308644 395164812 /nfs/dbraw/zinc/16/48/12/395164812.db2.gz PLARSKYVSPDURT-VIFPVBQESA-N 1 2 256.733 2.206 20 30 CEEDLO C[C@@H](C#N)Oc1ccccc1NCc1[nH+]ccn1C ZINC000182576827 395245232 /nfs/dbraw/zinc/24/52/32/395245232.db2.gz JRLLUCCKDJGFJN-NSHDSACASA-N 1 2 256.309 2.323 20 30 CEEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000399955229 395248851 /nfs/dbraw/zinc/24/88/51/395248851.db2.gz KDDVJVTTWBWQKW-XTZNXHDOSA-N 1 2 284.812 2.410 20 30 CEEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000399955229 395248856 /nfs/dbraw/zinc/24/88/56/395248856.db2.gz KDDVJVTTWBWQKW-XTZNXHDOSA-N 1 2 284.812 2.410 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179491832 395195293 /nfs/dbraw/zinc/19/52/93/395195293.db2.gz LKPZHARLCDVVKK-GXTWGEPZSA-N 1 2 298.394 2.305 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179491832 395195297 /nfs/dbraw/zinc/19/52/97/395195297.db2.gz LKPZHARLCDVVKK-GXTWGEPZSA-N 1 2 298.394 2.305 20 30 CEEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cc2ccccc2o1 ZINC000519699893 395209781 /nfs/dbraw/zinc/20/97/81/395209781.db2.gz HSUSAHDBSIUGRN-SJCJKPOMSA-N 1 2 299.374 2.496 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528783423 395295108 /nfs/dbraw/zinc/29/51/08/395295108.db2.gz HTLAYVJKWCGBBM-QEEYODRMSA-N 1 2 292.379 2.183 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528783423 395295109 /nfs/dbraw/zinc/29/51/09/395295109.db2.gz HTLAYVJKWCGBBM-QEEYODRMSA-N 1 2 292.379 2.183 20 30 CEEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352466858 395257628 /nfs/dbraw/zinc/25/76/28/395257628.db2.gz GZCCPCDHEQDGJJ-NEPJUHHUSA-N 1 2 269.364 2.007 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411491708 395330911 /nfs/dbraw/zinc/33/09/11/395330911.db2.gz OGFRNQKRJPLJIA-CYBMUJFWSA-N 1 2 289.379 2.416 20 30 CEEDLO C[C@H]1C[N@H+](CCC#N)C2(CCCC2)CN1CCC#N ZINC000411792742 395339488 /nfs/dbraw/zinc/33/94/88/395339488.db2.gz OTSKJKHTHORITH-AWEZNQCLSA-N 1 2 260.385 2.133 20 30 CEEDLO C[C@H]1C[N@@H+](CCC#N)C2(CCCC2)CN1CCC#N ZINC000411792742 395339496 /nfs/dbraw/zinc/33/94/96/395339496.db2.gz OTSKJKHTHORITH-AWEZNQCLSA-N 1 2 260.385 2.133 20 30 CEEDLO C[C@H]1CN(CCC#N)C2(CCCC2)C[N@@H+]1CCC#N ZINC000411792742 395339501 /nfs/dbraw/zinc/33/95/01/395339501.db2.gz OTSKJKHTHORITH-AWEZNQCLSA-N 1 2 260.385 2.133 20 30 CEEDLO C[C@H]1CN(CCC#N)C2(CCCC2)C[N@H+]1CCC#N ZINC000411792742 395339509 /nfs/dbraw/zinc/33/95/09/395339509.db2.gz OTSKJKHTHORITH-AWEZNQCLSA-N 1 2 260.385 2.133 20 30 CEEDLO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)ccc1C#N ZINC000443994671 395409433 /nfs/dbraw/zinc/40/94/33/395409433.db2.gz LTLHKZQIMCWPEI-INIZCTEOSA-N 1 2 297.333 2.322 20 30 CEEDLO CO[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000449506944 395551786 /nfs/dbraw/zinc/55/17/86/395551786.db2.gz ZSEIJUAORNHUHA-LLVKDONJSA-N 1 2 265.382 2.262 20 30 CEEDLO CO[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000449506944 395551789 /nfs/dbraw/zinc/55/17/89/395551789.db2.gz ZSEIJUAORNHUHA-LLVKDONJSA-N 1 2 265.382 2.262 20 30 CEEDLO C[C@@H]1CCC[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000568519001 395563288 /nfs/dbraw/zinc/56/32/88/395563288.db2.gz WZPUGQPBHXFOCL-IPYPFGDCSA-N 1 2 265.401 2.163 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000568667884 395566230 /nfs/dbraw/zinc/56/62/30/395566230.db2.gz SPBLEXMQQORRTD-HNNXBMFYSA-N 1 2 282.347 2.124 20 30 CEEDLO CC[C@@H](NCCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569332208 395577055 /nfs/dbraw/zinc/57/70/55/395577055.db2.gz GRUKWWVEASMXSU-SJORKVTESA-N 1 2 287.407 2.169 20 30 CEEDLO CC[C@@H](NCCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569332208 395577057 /nfs/dbraw/zinc/57/70/57/395577057.db2.gz GRUKWWVEASMXSU-SJORKVTESA-N 1 2 287.407 2.169 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cccc(Cl)c1 ZINC000569850284 395580655 /nfs/dbraw/zinc/58/06/55/395580655.db2.gz ALWRFZBTRGWLDM-OAHLLOKOSA-N 1 2 293.798 2.233 20 30 CEEDLO Cc1cc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883957 395667543 /nfs/dbraw/zinc/66/75/43/395667543.db2.gz SZYIZRXDYAFSAL-OLZOCXBDSA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1cc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883957 395667544 /nfs/dbraw/zinc/66/75/44/395667544.db2.gz SZYIZRXDYAFSAL-OLZOCXBDSA-N 1 2 294.420 2.120 20 30 CEEDLO CCOCCN1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000487922269 395667685 /nfs/dbraw/zinc/66/76/85/395667685.db2.gz TVWAMMFENHLIRE-UHFFFAOYSA-N 1 2 287.407 2.021 20 30 CEEDLO N#Cc1cccc(C2(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)c1 ZINC000492858682 395671230 /nfs/dbraw/zinc/67/12/30/395671230.db2.gz FUFNSBIBBBZCQH-SNAWJCMRSA-N 1 2 278.315 2.100 20 30 CEEDLO C=C(CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000649223520 396094730 /nfs/dbraw/zinc/09/47/30/396094730.db2.gz WITDQLJMIDVUOC-OAHLLOKOSA-N 1 2 281.359 2.275 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000649333539 396122433 /nfs/dbraw/zinc/12/24/33/396122433.db2.gz PGQDGQYZDLKWBQ-OLZOCXBDSA-N 1 2 297.399 2.172 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000649333539 396122438 /nfs/dbraw/zinc/12/24/38/396122438.db2.gz PGQDGQYZDLKWBQ-OLZOCXBDSA-N 1 2 297.399 2.172 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000649465673 396160654 /nfs/dbraw/zinc/16/06/54/396160654.db2.gz VVEGSPQOZIEKLI-NEPJUHHUSA-N 1 2 261.369 2.342 20 30 CEEDLO CSCC[C@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000344675261 533674147 /nfs/dbraw/zinc/67/41/47/533674147.db2.gz OUEHZTHZTYSPKO-CQSZACIVSA-N 1 2 288.376 2.099 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000130403482 286270589 /nfs/dbraw/zinc/27/05/89/286270589.db2.gz HSLHFIODUQUSIY-NEPJUHHUSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000130403482 286270592 /nfs/dbraw/zinc/27/05/92/286270592.db2.gz HSLHFIODUQUSIY-NEPJUHHUSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C#N ZINC000087833334 286306529 /nfs/dbraw/zinc/30/65/29/286306529.db2.gz IMNCIEZTDJDENU-GOEBONIOSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C#N ZINC000087833334 286306530 /nfs/dbraw/zinc/30/65/30/286306530.db2.gz IMNCIEZTDJDENU-GOEBONIOSA-N 1 2 272.348 2.320 20 30 CEEDLO CCCN1CCC[N@H+](Cc2cccc(C#N)c2)CC1=O ZINC000189217121 153085046 /nfs/dbraw/zinc/08/50/46/153085046.db2.gz DAFWYIGMSVAGAA-UHFFFAOYSA-N 1 2 271.364 2.003 20 30 CEEDLO CCCN1CCC[N@@H+](Cc2cccc(C#N)c2)CC1=O ZINC000189217121 153085051 /nfs/dbraw/zinc/08/50/51/153085051.db2.gz DAFWYIGMSVAGAA-UHFFFAOYSA-N 1 2 271.364 2.003 20 30 CEEDLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1C#N ZINC000191356461 153166918 /nfs/dbraw/zinc/16/69/18/153166918.db2.gz QVUCUTVQLOKBJW-UHFFFAOYSA-N 1 2 293.374 2.415 20 30 CEEDLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1C#N ZINC000191356461 153166921 /nfs/dbraw/zinc/16/69/21/153166921.db2.gz QVUCUTVQLOKBJW-UHFFFAOYSA-N 1 2 293.374 2.415 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)c3cnccc3C#N)cc2[nH+]1 ZINC000345098821 154279817 /nfs/dbraw/zinc/27/98/17/154279817.db2.gz CVPBHJQSCRMSMF-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO Cc1[nH]c2cc(NC(=O)c3cnccc3C#N)ccc2[nH+]1 ZINC000345098821 154279818 /nfs/dbraw/zinc/27/98/18/154279818.db2.gz CVPBHJQSCRMSMF-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO Cc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000366901696 156100247 /nfs/dbraw/zinc/10/02/47/156100247.db2.gz VNZFHZCWHVPFPF-AWEZNQCLSA-N 1 2 294.358 2.230 20 30 CEEDLO Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1C#N ZINC000367260911 156159890 /nfs/dbraw/zinc/15/98/90/156159890.db2.gz TYPHWRSNCFWPMN-MRXNPFEDSA-N 1 2 294.358 2.368 20 30 CEEDLO N#Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1 ZINC000375667719 157124158 /nfs/dbraw/zinc/12/41/58/157124158.db2.gz ZSNFFXFITZBZGS-HNNXBMFYSA-N 1 2 282.347 2.231 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C#N)cc(C)n1)CCC2 ZINC000376403092 157218675 /nfs/dbraw/zinc/21/86/75/157218675.db2.gz MAJFVDXUZDRTAZ-CQSZACIVSA-N 1 2 281.363 2.178 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncccc1C#N)CCC2 ZINC000376639050 157251398 /nfs/dbraw/zinc/25/13/98/157251398.db2.gz ZQKQFKOGMDMGNQ-CYBMUJFWSA-N 1 2 267.336 2.448 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)cn1)C1CCOCC1 ZINC000284488621 196068476 /nfs/dbraw/zinc/06/84/76/196068476.db2.gz GDGTVGXRNFVBFC-HNNXBMFYSA-N 1 2 297.362 2.267 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1cccc(C#N)n1)C1CCOCC1 ZINC000284505121 196071570 /nfs/dbraw/zinc/07/15/70/196071570.db2.gz HOOSEKKLSDVPFM-OAHLLOKOSA-N 1 2 297.362 2.267 20 30 CEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000653032608 414874733 /nfs/dbraw/zinc/87/47/33/414874733.db2.gz JIHLCGIJXTUYHM-HDJSIYSDSA-N 1 2 289.379 2.124 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCOCC3(CCCC3)C2)nn1 ZINC000653622426 415057437 /nfs/dbraw/zinc/05/74/37/415057437.db2.gz CNMKBEXYALNBTM-UHFFFAOYSA-N 1 2 290.411 2.247 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCOCC3(CCCC3)C2)nn1 ZINC000653622426 415057441 /nfs/dbraw/zinc/05/74/41/415057441.db2.gz CNMKBEXYALNBTM-UHFFFAOYSA-N 1 2 290.411 2.247 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1F)[C@H](C)COC ZINC000661243328 415156093 /nfs/dbraw/zinc/15/60/93/415156093.db2.gz JCXDIIBLWXGJGK-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)[C@H](C)COC ZINC000661243328 415156099 /nfs/dbraw/zinc/15/60/99/415156099.db2.gz JCXDIIBLWXGJGK-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](OC(C)C)C2)nn1 ZINC000653778166 415104114 /nfs/dbraw/zinc/10/41/14/415104114.db2.gz IEQWYBVGMVOJGU-HNNXBMFYSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)nn1 ZINC000653778166 415104117 /nfs/dbraw/zinc/10/41/17/415104117.db2.gz IEQWYBVGMVOJGU-HNNXBMFYSA-N 1 2 278.400 2.244 20 30 CEEDLO Cc1ccc(C#N)c(NCCCCn2cc[nH+]c2)n1 ZINC000045108247 175309046 /nfs/dbraw/zinc/30/90/46/175309046.db2.gz UBJZSOVPBGUCNV-UHFFFAOYSA-N 1 2 255.325 2.351 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C(C)(C)c2ccccc2OC)nn1 ZINC000656435692 415701131 /nfs/dbraw/zinc/70/11/31/415701131.db2.gz AOQKVIABXSIKHG-UHFFFAOYSA-N 1 2 298.390 2.183 20 30 CEEDLO C=CCOCC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662241796 415705651 /nfs/dbraw/zinc/70/56/51/415705651.db2.gz XMNVCDNJHOWLNU-MNOVXSKESA-N 1 2 267.291 2.231 20 30 CEEDLO C=CCOCC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662241796 415705656 /nfs/dbraw/zinc/70/56/56/415705656.db2.gz XMNVCDNJHOWLNU-MNOVXSKESA-N 1 2 267.291 2.231 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000354586141 227042922 /nfs/dbraw/zinc/04/29/22/227042922.db2.gz OGBYEQWLNNIAJG-GDBMZVCRSA-N 1 2 296.374 2.475 20 30 CEEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330022840 228018730 /nfs/dbraw/zinc/01/87/30/228018730.db2.gz HSQFSALJAGOYDW-QWHCGFSZSA-N 1 2 296.411 2.059 20 30 CEEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330022840 228018733 /nfs/dbraw/zinc/01/87/33/228018733.db2.gz HSQFSALJAGOYDW-QWHCGFSZSA-N 1 2 296.411 2.059 20 30 CEEDLO [O-]C(NC1CCCCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330181686 228058239 /nfs/dbraw/zinc/05/82/39/228058239.db2.gz GTILMPIVTBZRJJ-ZDUSSCGKSA-N 1 2 276.384 2.424 20 30 CEEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCCCCC1 ZINC000330181686 228058241 /nfs/dbraw/zinc/05/82/41/228058241.db2.gz GTILMPIVTBZRJJ-ZDUSSCGKSA-N 1 2 276.384 2.424 20 30 CEEDLO Cc1cnc(CC[N@@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356116347 228127525 /nfs/dbraw/zinc/12/75/25/228127525.db2.gz URMDOVKTBYGLDS-UHFFFAOYSA-N 1 2 278.406 2.454 20 30 CEEDLO Cc1cnc(CC[N@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356116347 228127526 /nfs/dbraw/zinc/12/75/26/228127526.db2.gz URMDOVKTBYGLDS-UHFFFAOYSA-N 1 2 278.406 2.454 20 30 CEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000330326567 228148190 /nfs/dbraw/zinc/14/81/90/228148190.db2.gz VDIJIYWIWOWLCN-OCCSQVGLSA-N 1 2 283.331 2.158 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000332200965 228152159 /nfs/dbraw/zinc/15/21/59/228152159.db2.gz ROFRGOOELMNFGF-ZYHUDNBSSA-N 1 2 285.376 2.382 20 30 CEEDLO N#CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332224873 228152407 /nfs/dbraw/zinc/15/24/07/228152407.db2.gz KJLZIMDWNNKYKL-UHFFFAOYSA-N 1 2 285.307 2.207 20 30 CEEDLO C=CC[N@H+](CC(=O)N1CCC1)Cc1ccccc1F ZINC000298868277 260165881 /nfs/dbraw/zinc/16/58/81/260165881.db2.gz WEYMGXPFEFAPOI-UHFFFAOYSA-N 1 2 262.328 2.046 20 30 CEEDLO C=CC[N@@H+](CC(=O)N1CCC1)Cc1ccccc1F ZINC000298868277 260165882 /nfs/dbraw/zinc/16/58/82/260165882.db2.gz WEYMGXPFEFAPOI-UHFFFAOYSA-N 1 2 262.328 2.046 20 30 CEEDLO CCCCCNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000054179869 260216866 /nfs/dbraw/zinc/21/68/66/260216866.db2.gz UKKPOTWTAZWWDI-UHFFFAOYSA-N 1 2 297.786 2.283 20 30 CEEDLO N#CC1(NC(=O)C2CC[NH+](CC(F)F)CC2)CCCCC1 ZINC000408110649 260235977 /nfs/dbraw/zinc/23/59/77/260235977.db2.gz SXOKMSLIWSWDHZ-UHFFFAOYSA-N 1 2 299.365 2.306 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155967209 260777004 /nfs/dbraw/zinc/77/70/04/260777004.db2.gz XPOARYSQDXOGJL-ZDUSSCGKSA-N 1 2 280.331 2.150 20 30 CEEDLO N#C[C@@H]1[N@H+](CC[C@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000448283059 261087318 /nfs/dbraw/zinc/08/73/18/261087318.db2.gz WWJRKJLMVTXJHG-JYJNAYRXSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@@H]1[N@@H+](CC[C@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000448283059 261087320 /nfs/dbraw/zinc/08/73/20/261087320.db2.gz WWJRKJLMVTXJHG-JYJNAYRXSA-N 1 2 278.396 2.340 20 30 CEEDLO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ncn(C)n1 ZINC000444713113 261116998 /nfs/dbraw/zinc/11/69/98/261116998.db2.gz FLAHRPSHBSXOSM-LBPRGKRZSA-N 1 2 283.379 2.467 20 30 CEEDLO N#C[C@H]1C[N@H+](CC2CC2)CCN1Cc1ccccc1 ZINC000156399030 261122413 /nfs/dbraw/zinc/12/24/13/261122413.db2.gz HDTUXJDIKQFCTM-INIZCTEOSA-N 1 2 255.365 2.106 20 30 CEEDLO N#C[C@H]1C[N@@H+](CC2CC2)CCN1Cc1ccccc1 ZINC000156399030 261122415 /nfs/dbraw/zinc/12/24/15/261122415.db2.gz HDTUXJDIKQFCTM-INIZCTEOSA-N 1 2 255.365 2.106 20 30 CEEDLO C#CCN(CC)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000490950380 261262825 /nfs/dbraw/zinc/26/28/25/261262825.db2.gz QBSOOTFMSZXCQY-UHFFFAOYSA-N 1 2 269.348 2.080 20 30 CEEDLO Cc1n[nH]cc1CNc1[nH+]cccc1OCCCC#N ZINC000184288529 262015021 /nfs/dbraw/zinc/01/50/21/262015021.db2.gz FJSCABQHTDOJRV-UHFFFAOYSA-N 1 2 271.324 2.408 20 30 CEEDLO NC(=[NH+]OCC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000189259719 262169856 /nfs/dbraw/zinc/16/98/56/262169856.db2.gz LRFTUUYHPUIMAT-JTQLQIEISA-N 1 2 270.279 2.171 20 30 CEEDLO C#CCCCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000364298270 262196927 /nfs/dbraw/zinc/19/69/27/262196927.db2.gz GLKAOOQCGSJTBU-UHFFFAOYSA-N 1 2 273.380 2.072 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000116939853 262197173 /nfs/dbraw/zinc/19/71/73/262197173.db2.gz BAWVYJICXHBZJF-GFCCVEGCSA-N 1 2 276.384 2.026 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000192219754 262199824 /nfs/dbraw/zinc/19/98/24/262199824.db2.gz BFTRWMVOEYEQFF-UHFFFAOYSA-N 1 2 283.375 2.115 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000192219754 262199825 /nfs/dbraw/zinc/19/98/25/262199825.db2.gz BFTRWMVOEYEQFF-UHFFFAOYSA-N 1 2 283.375 2.115 20 30 CEEDLO C#CC[N@H+](Cc1nnc2n1CCCCC2)C1CCCC1 ZINC000371970083 262203031 /nfs/dbraw/zinc/20/30/31/262203031.db2.gz ZGRBZIUIAKKVSZ-UHFFFAOYSA-N 1 2 272.396 2.382 20 30 CEEDLO C#CC[N@@H+](Cc1nnc2n1CCCCC2)C1CCCC1 ZINC000371970083 262203032 /nfs/dbraw/zinc/20/30/32/262203032.db2.gz ZGRBZIUIAKKVSZ-UHFFFAOYSA-N 1 2 272.396 2.382 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488485469 262327867 /nfs/dbraw/zinc/32/78/67/262327867.db2.gz YOPSWFWYGPRLAA-OLZOCXBDSA-N 1 2 276.384 2.242 20 30 CEEDLO Cc1ncccc1O[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000365227998 262352620 /nfs/dbraw/zinc/35/26/20/262352620.db2.gz MDTYVVVDUPFHGB-GJZGRUSLSA-N 1 2 284.363 2.287 20 30 CEEDLO Cc1ncccc1O[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000365227998 262352621 /nfs/dbraw/zinc/35/26/21/262352621.db2.gz MDTYVVVDUPFHGB-GJZGRUSLSA-N 1 2 284.363 2.287 20 30 CEEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000365568246 262370572 /nfs/dbraw/zinc/37/05/72/262370572.db2.gz DDQBVPWSKNXYPG-LBPRGKRZSA-N 1 2 283.335 2.077 20 30 CEEDLO CC#CC[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000365568246 262370574 /nfs/dbraw/zinc/37/05/74/262370574.db2.gz DDQBVPWSKNXYPG-LBPRGKRZSA-N 1 2 283.335 2.077 20 30 CEEDLO N#C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000336711896 262383117 /nfs/dbraw/zinc/38/31/17/262383117.db2.gz LNUWFXHJUVYRJZ-QZTJIDSGSA-N 1 2 299.418 2.123 20 30 CEEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000336711896 262383118 /nfs/dbraw/zinc/38/31/18/262383118.db2.gz LNUWFXHJUVYRJZ-QZTJIDSGSA-N 1 2 299.418 2.123 20 30 CEEDLO Cc1c(Cl)cnc(N(C)Cc2ccc(N)[nH+]c2)c1C#N ZINC000445610013 269905199 /nfs/dbraw/zinc/90/51/99/269905199.db2.gz ZXGNUOLUUDYYSI-UHFFFAOYSA-N 1 2 287.754 2.359 20 30 CEEDLO CC1(C#N)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000272669294 263008081 /nfs/dbraw/zinc/00/80/81/263008081.db2.gz PBTGZHVHXYUTLM-UHFFFAOYSA-N 1 2 297.362 2.170 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)NCCCC#N)c[nH+]1 ZINC000273200724 263013894 /nfs/dbraw/zinc/01/38/94/263013894.db2.gz SISAZIUBRKMIIR-UHFFFAOYSA-N 1 2 289.383 2.031 20 30 CEEDLO Cn1ccc(CNc2[nH+]cccc2OCCCC#N)n1 ZINC000274236192 263022238 /nfs/dbraw/zinc/02/22/38/263022238.db2.gz AXXCIPHCIQKFRZ-UHFFFAOYSA-N 1 2 271.324 2.110 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000274932239 263031634 /nfs/dbraw/zinc/03/16/34/263031634.db2.gz YENIIYPLWVEGOJ-LBPRGKRZSA-N 1 2 271.364 2.187 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000274932239 263031635 /nfs/dbraw/zinc/03/16/35/263031635.db2.gz YENIIYPLWVEGOJ-LBPRGKRZSA-N 1 2 271.364 2.187 20 30 CEEDLO NC(=[NH+]OCc1cc(Cl)ccc1F)[C@H]1CCCO1 ZINC000284482344 263087002 /nfs/dbraw/zinc/08/70/02/263087002.db2.gz RYXCOSSKTXGAKI-LLVKDONJSA-N 1 2 272.707 2.447 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C)cc1C ZINC000292084068 263128144 /nfs/dbraw/zinc/12/81/44/263128144.db2.gz DUYVKDWZGJECSF-MRXNPFEDSA-N 1 2 288.391 2.445 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(C)cc1C ZINC000292084068 263128145 /nfs/dbraw/zinc/12/81/45/263128145.db2.gz DUYVKDWZGJECSF-MRXNPFEDSA-N 1 2 288.391 2.445 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1cccc(C(=O)OC)c1 ZINC000292165887 263129119 /nfs/dbraw/zinc/12/91/19/263129119.db2.gz LLFZFHWVRVKGBF-UHFFFAOYSA-N 1 2 288.347 2.254 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1cccc(C(=O)OC)c1 ZINC000292165887 263129120 /nfs/dbraw/zinc/12/91/20/263129120.db2.gz LLFZFHWVRVKGBF-UHFFFAOYSA-N 1 2 288.347 2.254 20 30 CEEDLO C[C@@H]1C[N@H+](CCOCCC#N)C[C@H](c2ccsc2)O1 ZINC000292928952 263136606 /nfs/dbraw/zinc/13/66/06/263136606.db2.gz YUMSPNOWFXRACP-TZMCWYRMSA-N 1 2 280.393 2.440 20 30 CEEDLO C[C@@H]1C[N@@H+](CCOCCC#N)C[C@H](c2ccsc2)O1 ZINC000292928952 263136607 /nfs/dbraw/zinc/13/66/07/263136607.db2.gz YUMSPNOWFXRACP-TZMCWYRMSA-N 1 2 280.393 2.440 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000293375570 263139712 /nfs/dbraw/zinc/13/97/12/263139712.db2.gz LIJBXIVVWYMDQQ-INIZCTEOSA-N 1 2 296.374 2.296 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299176691 263233709 /nfs/dbraw/zinc/23/37/09/263233709.db2.gz YGIGWMVNXVRHII-UKRRQHHQSA-N 1 2 287.407 2.134 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299176691 263233711 /nfs/dbraw/zinc/23/37/11/263233711.db2.gz YGIGWMVNXVRHII-UKRRQHHQSA-N 1 2 287.407 2.134 20 30 CEEDLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000453326158 263234219 /nfs/dbraw/zinc/23/42/19/263234219.db2.gz XWUZLJWAEMJEQE-UPJWGTAASA-N 1 2 252.358 2.244 20 30 CEEDLO Cn1cc([C@H]([NH2+]CCC#N)c2ccc(F)cc2)cn1 ZINC000299263909 263237004 /nfs/dbraw/zinc/23/70/04/263237004.db2.gz KLWPWOKUCNKXIL-CQSZACIVSA-N 1 2 258.300 2.152 20 30 CEEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330923404 264094095 /nfs/dbraw/zinc/09/40/95/264094095.db2.gz DFWQJRZZLJODEK-AWEZNQCLSA-N 1 2 298.390 2.164 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000331114672 264128063 /nfs/dbraw/zinc/12/80/63/264128063.db2.gz DBNCOKNMXNRPIW-CYBMUJFWSA-N 1 2 276.384 2.016 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000331114672 264128064 /nfs/dbraw/zinc/12/80/64/264128064.db2.gz DBNCOKNMXNRPIW-CYBMUJFWSA-N 1 2 276.384 2.016 20 30 CEEDLO Cc1cccnc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000331129943 264147954 /nfs/dbraw/zinc/14/79/54/264147954.db2.gz GFNIRURRXGHPMR-CQSZACIVSA-N 1 2 291.395 2.051 20 30 CEEDLO CC[C@@H](CCO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331286957 264172844 /nfs/dbraw/zinc/17/28/44/264172844.db2.gz AFOVUQAODVOUKB-LBPRGKRZSA-N 1 2 265.357 2.494 20 30 CEEDLO CC[C@H](O)CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331235455 264174545 /nfs/dbraw/zinc/17/45/45/264174545.db2.gz LKZKVQHUUIFPHD-LBPRGKRZSA-N 1 2 265.357 2.494 20 30 CEEDLO Cc1noc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000331242465 264177147 /nfs/dbraw/zinc/17/71/47/264177147.db2.gz RCZIKTRARJRBJW-UHFFFAOYSA-N 1 2 275.312 2.224 20 30 CEEDLO Cc1cc(C)c(NC(=O)N(C)CC[C@@H](C)O)c(C)[nH+]1 ZINC000331309486 264186293 /nfs/dbraw/zinc/18/62/93/264186293.db2.gz HCTOLLNVHGFFIF-LLVKDONJSA-N 1 2 265.357 2.255 20 30 CEEDLO CCO[C@@H]1C[C@@]([NH2+]CCCCC#N)(C(=O)OC)C1(C)C ZINC000189852128 264335764 /nfs/dbraw/zinc/33/57/64/264335764.db2.gz IKMFMTYERCYBPM-IUODEOHRSA-N 1 2 282.384 2.017 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2F)C1=O ZINC000281107864 264466460 /nfs/dbraw/zinc/46/64/60/264466460.db2.gz AYJQBYYEMLVTCG-CQSZACIVSA-N 1 2 298.308 2.323 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)C1=O ZINC000281107864 264466462 /nfs/dbraw/zinc/46/64/62/264466462.db2.gz AYJQBYYEMLVTCG-CQSZACIVSA-N 1 2 298.308 2.323 20 30 CEEDLO C#C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(C)(C)C ZINC000288659084 264675494 /nfs/dbraw/zinc/67/54/94/264675494.db2.gz RLGYWLPIRJPYOW-AWEZNQCLSA-N 1 2 298.390 2.224 20 30 CEEDLO Cn1ncc(Cl)c1C[NH+]1CCC(CC#N)CC1 ZINC000335828672 265219574 /nfs/dbraw/zinc/21/95/74/265219574.db2.gz ONKUTTOKDNJPLA-UHFFFAOYSA-N 1 2 252.749 2.199 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000362543762 267005112 /nfs/dbraw/zinc/00/51/12/267005112.db2.gz XAFHUYXTULPKIA-CYBMUJFWSA-N 1 2 284.363 2.305 20 30 CEEDLO CCCNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425224641 267023887 /nfs/dbraw/zinc/02/38/87/267023887.db2.gz OMDWDKLEFLMAHO-CYBMUJFWSA-N 1 2 286.379 2.004 20 30 CEEDLO C#CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000362733043 267040249 /nfs/dbraw/zinc/04/02/49/267040249.db2.gz DTDADLYDBVHHSA-HOTGVXAUSA-N 1 2 293.370 2.326 20 30 CEEDLO CCCCCCCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000115164611 267091152 /nfs/dbraw/zinc/09/11/52/267091152.db2.gz FMFHGXJNJWKQRT-HNNXBMFYSA-N 1 2 282.428 2.326 20 30 CEEDLO CCCCCCCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000115164611 267091154 /nfs/dbraw/zinc/09/11/54/267091154.db2.gz FMFHGXJNJWKQRT-HNNXBMFYSA-N 1 2 282.428 2.326 20 30 CEEDLO CCOC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000528725632 267143790 /nfs/dbraw/zinc/14/37/90/267143790.db2.gz RSNRPDVOSUOFJK-XJKSGUPXSA-N 1 2 274.364 2.357 20 30 CEEDLO CCOC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000528725632 267143795 /nfs/dbraw/zinc/14/37/95/267143795.db2.gz RSNRPDVOSUOFJK-XJKSGUPXSA-N 1 2 274.364 2.357 20 30 CEEDLO CC[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1[nH]cc[nH+]1 ZINC000442799476 267193548 /nfs/dbraw/zinc/19/35/48/267193548.db2.gz IKQCICILJIEXHJ-SNVBAGLBSA-N 1 2 289.726 2.211 20 30 CEEDLO C#CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000368787108 267204848 /nfs/dbraw/zinc/20/48/48/267204848.db2.gz TUIWUOQVFZFTDD-AWEZNQCLSA-N 1 2 251.276 2.361 20 30 CEEDLO C#CCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000368787108 267204849 /nfs/dbraw/zinc/20/48/49/267204849.db2.gz TUIWUOQVFZFTDD-AWEZNQCLSA-N 1 2 251.276 2.361 20 30 CEEDLO Cc1cc(NCCCc2nccs2)c(C#N)c[nH+]1 ZINC000399485629 267300185 /nfs/dbraw/zinc/30/01/85/267300185.db2.gz FFPXZNUYGPHRSO-UHFFFAOYSA-N 1 2 258.350 2.185 20 30 CEEDLO C[N@H+](CCCCCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459447965 267306247 /nfs/dbraw/zinc/30/62/47/267306247.db2.gz VPUUJAMIIXPKLR-UHFFFAOYSA-N 1 2 277.324 2.061 20 30 CEEDLO C[N@@H+](CCCCCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459447965 267306248 /nfs/dbraw/zinc/30/62/48/267306248.db2.gz VPUUJAMIIXPKLR-UHFFFAOYSA-N 1 2 277.324 2.061 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCC#N)C2 ZINC000370390016 267315525 /nfs/dbraw/zinc/31/55/25/267315525.db2.gz UIMFCVKGEOKAHV-LLVKDONJSA-N 1 2 274.368 2.058 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCC#N)CC2 ZINC000370390016 267315528 /nfs/dbraw/zinc/31/55/28/267315528.db2.gz UIMFCVKGEOKAHV-LLVKDONJSA-N 1 2 274.368 2.058 20 30 CEEDLO Cc1cc(NC[C@H](CO)Cc2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425203288 267950602 /nfs/dbraw/zinc/95/06/02/267950602.db2.gz FBBJZPLDYAXURG-CQSZACIVSA-N 1 2 299.349 2.086 20 30 CEEDLO Cc1cn2cc(NC(=O)c3cc(C#N)cn3C)ccc2[nH+]1 ZINC000433717551 268070399 /nfs/dbraw/zinc/07/03/99/268070399.db2.gz FHOPUMLAPUOBGE-UHFFFAOYSA-N 1 2 279.303 2.105 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425105138 268081610 /nfs/dbraw/zinc/08/16/10/268081610.db2.gz DBTVTPZQSZKJIN-LBPRGKRZSA-N 1 2 282.347 2.352 20 30 CEEDLO Cc1noc([C@@H](C)[N@H+](C)CCOc2ccccc2C#N)n1 ZINC000519728451 268098485 /nfs/dbraw/zinc/09/84/85/268098485.db2.gz NXVSZMURZYJVTQ-LLVKDONJSA-N 1 2 286.335 2.322 20 30 CEEDLO Cc1noc([C@@H](C)[N@@H+](C)CCOc2ccccc2C#N)n1 ZINC000519728451 268098489 /nfs/dbraw/zinc/09/84/89/268098489.db2.gz NXVSZMURZYJVTQ-LLVKDONJSA-N 1 2 286.335 2.322 20 30 CEEDLO N#Cc1cccc(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000531435030 268272544 /nfs/dbraw/zinc/27/25/44/268272544.db2.gz YWUYGBYLAWZGOC-UHFFFAOYSA-N 1 2 294.358 2.230 20 30 CEEDLO N#Cc1cccc(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000531435030 268272545 /nfs/dbraw/zinc/27/25/45/268272545.db2.gz YWUYGBYLAWZGOC-UHFFFAOYSA-N 1 2 294.358 2.230 20 30 CEEDLO N#Cc1cncc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000420613295 268315379 /nfs/dbraw/zinc/31/53/79/268315379.db2.gz RDXWWYQUEPTJAU-UHFFFAOYSA-N 1 2 296.378 2.242 20 30 CEEDLO COc1ccc(CCNc2cc(C)[nH+]cc2C#N)cc1F ZINC000425224015 271140601 /nfs/dbraw/zinc/14/06/01/271140601.db2.gz KIZBQNIGKWWNTL-UHFFFAOYSA-N 1 2 285.322 2.486 20 30 CEEDLO COCCOc1ccccc1CNc1cc(C)[nH+]cc1C#N ZINC000425215639 271140691 /nfs/dbraw/zinc/14/06/91/271140691.db2.gz OHQASLKCRZZMGR-UHFFFAOYSA-N 1 2 297.358 2.321 20 30 CEEDLO Cc1cc(N2CCN([C@H](C)C(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000425235725 271143940 /nfs/dbraw/zinc/14/39/40/271143940.db2.gz PKIDYWQZJSKSQD-LLVKDONJSA-N 1 2 298.312 2.335 20 30 CEEDLO Cc1cc(N2CC[C@H](COC(F)F)C2)c(C#N)c[nH+]1 ZINC000425250319 271146886 /nfs/dbraw/zinc/14/68/86/271146886.db2.gz FRMYWFXVMOZNMD-JTQLQIEISA-N 1 2 267.279 2.327 20 30 CEEDLO CC(=O)NC1CCC(N(C)c2cc(C)[nH+]cc2C#N)CC1 ZINC000425246865 271147115 /nfs/dbraw/zinc/14/71/15/271147115.db2.gz MNUXQQHRSMHDFL-UHFFFAOYSA-N 1 2 286.379 2.145 20 30 CEEDLO CCN1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000348368937 276383079 /nfs/dbraw/zinc/38/30/79/276383079.db2.gz KYLWUSGHQVWTAQ-QGZVFWFLSA-N 1 2 294.402 2.140 20 30 CEEDLO CCN1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000348368937 276383080 /nfs/dbraw/zinc/38/30/80/276383080.db2.gz KYLWUSGHQVWTAQ-QGZVFWFLSA-N 1 2 294.402 2.140 20 30 CEEDLO CC(C)c1nn(C)cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329174093 278092655 /nfs/dbraw/zinc/09/26/55/278092655.db2.gz LVMKVGVCVIZRTI-JTQLQIEISA-N 1 2 287.367 2.129 20 30 CEEDLO CC(C)c1nn(C)cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329174093 278092657 /nfs/dbraw/zinc/09/26/57/278092657.db2.gz LVMKVGVCVIZRTI-JTQLQIEISA-N 1 2 287.367 2.129 20 30 CEEDLO C[C@@]1(F)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000335828719 278125537 /nfs/dbraw/zinc/12/55/37/278125537.db2.gz DOKJRJMYPMCHKR-GDBMZVCRSA-N 1 2 287.338 2.097 20 30 CEEDLO C[C@@]1(F)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000335828719 278125539 /nfs/dbraw/zinc/12/55/39/278125539.db2.gz DOKJRJMYPMCHKR-GDBMZVCRSA-N 1 2 287.338 2.097 20 30 CEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1C1CC1 ZINC000329688261 278290885 /nfs/dbraw/zinc/29/08/85/278290885.db2.gz YZSDGOSIQGSNGE-OCCSQVGLSA-N 1 2 288.395 2.232 20 30 CEEDLO CC1(C)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C1CC1 ZINC000329688261 278290886 /nfs/dbraw/zinc/29/08/86/278290886.db2.gz YZSDGOSIQGSNGE-OCCSQVGLSA-N 1 2 288.395 2.232 20 30 CEEDLO Cc1ncc2c(n1)CC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000336175729 279158674 /nfs/dbraw/zinc/15/86/74/279158674.db2.gz GOCVPSJXTFLAFY-UHFFFAOYSA-N 1 2 281.334 2.334 20 30 CEEDLO Cc1ncc2c(n1)CC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000336175729 279158676 /nfs/dbraw/zinc/15/86/76/279158676.db2.gz GOCVPSJXTFLAFY-UHFFFAOYSA-N 1 2 281.334 2.334 20 30 CEEDLO OC(NC1=[NH+]CCS1)=C1SCCc2sccc21 ZINC000079336923 279728679 /nfs/dbraw/zinc/72/86/79/279728679.db2.gz PPIULBIKJBHBFN-SECBINFHSA-N 1 2 284.431 2.298 20 30 CEEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)O1 ZINC000329547136 281117502 /nfs/dbraw/zinc/11/75/02/281117502.db2.gz AZFZPFKZNURGMX-BXKDBHETSA-N 1 2 263.341 2.181 20 30 CEEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)O1 ZINC000329547136 281117505 /nfs/dbraw/zinc/11/75/05/281117505.db2.gz AZFZPFKZNURGMX-BXKDBHETSA-N 1 2 263.341 2.181 20 30 CEEDLO C[C@@H](CNC(=O)/C=C/c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000153742621 289121288 /nfs/dbraw/zinc/12/12/88/289121288.db2.gz GQFCVJQIDQKVNC-GJBLVYBDSA-N 1 2 294.358 2.220 20 30 CEEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352462289 290400098 /nfs/dbraw/zinc/40/00/98/290400098.db2.gz BVRAAPTZJFQZKN-KBPBESRZSA-N 1 2 295.402 2.351 20 30 CEEDLO N#Cc1ccc(OCC[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000566705646 299016429 /nfs/dbraw/zinc/01/64/29/299016429.db2.gz OJEFQNGAPJUKRZ-UHFFFAOYSA-N 1 2 270.254 2.431 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874888414 649864239 /nfs/dbraw/zinc/86/42/39/649864239.db2.gz CTITUZJVNUINKC-OAHLLOKOSA-N 1 2 288.366 2.348 20 30 CEEDLO N#CCCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874888783 649864329 /nfs/dbraw/zinc/86/43/29/649864329.db2.gz QSYOBGXIWQPHCU-HNNXBMFYSA-N 1 2 289.354 2.383 20 30 CEEDLO N#CC1(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CCC1 ZINC000336187549 303141858 /nfs/dbraw/zinc/14/18/58/303141858.db2.gz GWWYPBWOJXCXEX-OAHLLOKOSA-N 1 2 283.375 2.243 20 30 CEEDLO N#CC1(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CCC1 ZINC000336187549 303141863 /nfs/dbraw/zinc/14/18/63/303141863.db2.gz GWWYPBWOJXCXEX-OAHLLOKOSA-N 1 2 283.375 2.243 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331508056 303159951 /nfs/dbraw/zinc/15/99/51/303159951.db2.gz BXNDQCWBRFOZHD-YNEHKIRRSA-N 1 2 287.367 2.339 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000562968985 327653042 /nfs/dbraw/zinc/65/30/42/327653042.db2.gz MTDNNSNRHMBMDV-KWCYVHTRSA-N 1 2 267.336 2.176 20 30 CEEDLO Cc1cc(NC(=O)c2cccc(C#N)c2)c(C)c[nH+]1 ZINC000536574948 313403929 /nfs/dbraw/zinc/40/39/29/313403929.db2.gz RPBCOSMDGAZFHE-UHFFFAOYSA-N 1 2 251.289 2.244 20 30 CEEDLO COC(=O)c1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)n1 ZINC000576480481 314280837 /nfs/dbraw/zinc/28/08/37/314280837.db2.gz WMVKTZJYRUHKJB-JOYOIKCWSA-N 1 2 297.318 2.054 20 30 CEEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000185725277 327843413 /nfs/dbraw/zinc/84/34/13/327843413.db2.gz MJSYBYPBGATDQR-ZFWWWQNUSA-N 1 2 298.390 2.117 20 30 CEEDLO Cc1cc(N2CCC[C@H](c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000577385791 314371676 /nfs/dbraw/zinc/37/16/76/314371676.db2.gz OZCMCFYKAOQQHV-ZDUSSCGKSA-N 1 2 281.363 2.379 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000565168284 328072365 /nfs/dbraw/zinc/07/23/65/328072365.db2.gz CMMUEYZGWVUNID-GHMZBOCLSA-N 1 2 270.336 2.416 20 30 CEEDLO C=CCCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413234277 328143126 /nfs/dbraw/zinc/14/31/26/328143126.db2.gz QOOCCDDZDRCGIF-UONOGXRCSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CCCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413234277 328143127 /nfs/dbraw/zinc/14/31/27/328143127.db2.gz QOOCCDDZDRCGIF-UONOGXRCSA-N 1 2 290.411 2.452 20 30 CEEDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264572179 328160409 /nfs/dbraw/zinc/16/04/09/328160409.db2.gz SCSDQSKJLBTXCJ-OAHLLOKOSA-N 1 2 288.347 2.116 20 30 CEEDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264572179 328160411 /nfs/dbraw/zinc/16/04/11/328160411.db2.gz SCSDQSKJLBTXCJ-OAHLLOKOSA-N 1 2 288.347 2.116 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCCc2scnc2C)c1 ZINC000267026770 328171581 /nfs/dbraw/zinc/17/15/81/328171581.db2.gz AGLJQNMXKUUVCE-UHFFFAOYSA-N 1 2 291.376 2.340 20 30 CEEDLO NC(Cc1ccccc1Cl)=[NH+]OCCC1OCCCO1 ZINC000267926591 328181282 /nfs/dbraw/zinc/18/12/82/328181282.db2.gz UKFSDKLLKAMDJT-UHFFFAOYSA-N 1 2 298.770 2.324 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268392331 328184710 /nfs/dbraw/zinc/18/47/10/328184710.db2.gz XNCMPXFMGKMSRH-CYBMUJFWSA-N 1 2 290.363 2.361 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268392331 328184711 /nfs/dbraw/zinc/18/47/11/328184711.db2.gz XNCMPXFMGKMSRH-CYBMUJFWSA-N 1 2 290.363 2.361 20 30 CEEDLO C[C@H](CCO)C1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCC1 ZINC000271859235 328198357 /nfs/dbraw/zinc/19/83/57/328198357.db2.gz YEQYUJRMPFPAKB-LBFZPMSMSA-N 1 2 293.363 2.411 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1Cl ZINC000274775120 328213423 /nfs/dbraw/zinc/21/34/23/328213423.db2.gz IVNCXHFIWVKNQL-LBPRGKRZSA-N 1 2 256.708 2.358 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1Cl ZINC000274775120 328213424 /nfs/dbraw/zinc/21/34/24/328213424.db2.gz IVNCXHFIWVKNQL-LBPRGKRZSA-N 1 2 256.708 2.358 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000278618713 328228391 /nfs/dbraw/zinc/22/83/91/328228391.db2.gz GEWREQDFUDMSGD-BZPMIXESSA-N 1 2 290.388 2.187 20 30 CEEDLO C[N@H+](Cc1nccn1C(F)F)[C@H]1CC[C@@H](C#N)C1 ZINC000278612358 328228436 /nfs/dbraw/zinc/22/84/36/328228436.db2.gz MQGDAZIAGWSRMP-ZJUUUORDSA-N 1 2 254.284 2.402 20 30 CEEDLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1CC[C@@H](C#N)C1 ZINC000278612358 328228438 /nfs/dbraw/zinc/22/84/38/328228438.db2.gz MQGDAZIAGWSRMP-ZJUUUORDSA-N 1 2 254.284 2.402 20 30 CEEDLO C[C@H](CC(=O)N(C)c1ccccc1C#N)n1cc[nH+]c1 ZINC000579964950 321905352 /nfs/dbraw/zinc/90/53/52/321905352.db2.gz ZNCZRAUFQHZQLB-GFCCVEGCSA-N 1 2 268.320 2.369 20 30 CEEDLO CCn1cnnc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331238276 328478645 /nfs/dbraw/zinc/47/86/45/328478645.db2.gz NNEGMABHZALMHG-UHFFFAOYSA-N 1 2 288.355 2.144 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(F)c1 ZINC000557590453 327014698 /nfs/dbraw/zinc/01/46/98/327014698.db2.gz VJGLEFPBDHUTTF-CYBMUJFWSA-N 1 2 283.734 2.053 20 30 CEEDLO CC[C@@H](OC1CCCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576644027 327037169 /nfs/dbraw/zinc/03/71/69/327037169.db2.gz AGHXSOFRYTYKLV-ZBFHGGJFSA-N 1 2 295.427 2.074 20 30 CEEDLO N#CC1CCC(CNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000518677800 327193156 /nfs/dbraw/zinc/19/31/56/327193156.db2.gz BURBTKKPOPQLNE-UHFFFAOYSA-N 1 2 281.363 2.206 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569579717 327200993 /nfs/dbraw/zinc/20/09/93/327200993.db2.gz UWTIDWJTAAVEMX-OLZOCXBDSA-N 1 2 261.369 2.307 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H](C)C(=O)OC)c1 ZINC000101799813 327222786 /nfs/dbraw/zinc/22/27/86/327222786.db2.gz WMSNBEWBEWUYKN-CNOAHFENSA-N 1 2 265.309 2.019 20 30 CEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCCCC#N)c1 ZINC000584301810 327231116 /nfs/dbraw/zinc/23/11/16/327231116.db2.gz GLZSFHRYRFQGNP-OAHLLOKOSA-N 1 2 271.364 2.162 20 30 CEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCCCC#N)c1 ZINC000584301810 327231117 /nfs/dbraw/zinc/23/11/17/327231117.db2.gz GLZSFHRYRFQGNP-OAHLLOKOSA-N 1 2 271.364 2.162 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCCC1CCCCC1 ZINC000555761780 327249759 /nfs/dbraw/zinc/24/97/59/327249759.db2.gz LMASKYUDEDAXEZ-UHFFFAOYSA-N 1 2 250.386 2.028 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NCCC1CCCCC1 ZINC000555761780 327249760 /nfs/dbraw/zinc/24/97/60/327249760.db2.gz LMASKYUDEDAXEZ-UHFFFAOYSA-N 1 2 250.386 2.028 20 30 CEEDLO Cc1ccccc1[C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309882 327299915 /nfs/dbraw/zinc/29/99/15/327299915.db2.gz WLOOGTNYUSGVNR-WMLDXEAASA-N 1 2 287.407 2.449 20 30 CEEDLO COCCOc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000560360609 327302542 /nfs/dbraw/zinc/30/25/42/327302542.db2.gz LDHNYISGJAYIJM-CQSZACIVSA-N 1 2 287.363 2.245 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000566428484 327361034 /nfs/dbraw/zinc/36/10/34/327361034.db2.gz HAFARGPZOHUKQE-NSHDSACASA-N 1 2 290.392 2.457 20 30 CEEDLO N#C[C@H]1CN(c2cc[nH+]c3ccccc32)CCN1C1CC1 ZINC000377667887 329023590 /nfs/dbraw/zinc/02/35/90/329023590.db2.gz IZEXOIDJMADCJU-AWEZNQCLSA-N 1 2 278.359 2.411 20 30 CEEDLO C=CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000378390823 329048672 /nfs/dbraw/zinc/04/86/72/329048672.db2.gz CISCQSUQGROVCA-UHFFFAOYSA-N 1 2 288.395 2.122 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000174861896 329163848 /nfs/dbraw/zinc/16/38/48/329163848.db2.gz XMGBKGJEMAIXIU-UHFFFAOYSA-N 1 2 271.364 2.168 20 30 CEEDLO CC[C@H](CC#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000183940709 329254723 /nfs/dbraw/zinc/25/47/23/329254723.db2.gz OCBMHRGTKVASDR-CYBMUJFWSA-N 1 2 268.320 2.294 20 30 CEEDLO CC#CCCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000185048551 329265273 /nfs/dbraw/zinc/26/52/73/329265273.db2.gz PYUBSZQNDSAJQE-UHFFFAOYSA-N 1 2 269.348 2.187 20 30 CEEDLO C=CCCC[NH2+][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000189865403 329388837 /nfs/dbraw/zinc/38/88/37/329388837.db2.gz KKBWHDIOFKCZSG-SWLSCSKDSA-N 1 2 269.385 2.289 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1OC ZINC000584478343 329498536 /nfs/dbraw/zinc/49/85/36/329498536.db2.gz PKQLOPSDGGJUQT-VXGBXAGGSA-N 1 2 275.352 2.304 20 30 CEEDLO C=CCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000102469416 329534366 /nfs/dbraw/zinc/53/43/66/329534366.db2.gz CHVKUMMQOJMSQI-UHFFFAOYSA-N 1 2 255.321 2.455 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1C(=O)OC)C1CC1 ZINC000274160381 330103466 /nfs/dbraw/zinc/10/34/66/330103466.db2.gz MBFIFHBWWOTVSC-UHFFFAOYSA-N 1 2 261.296 2.210 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1C(=O)OC)C1CC1 ZINC000274160381 330103468 /nfs/dbraw/zinc/10/34/68/330103468.db2.gz MBFIFHBWWOTVSC-UHFFFAOYSA-N 1 2 261.296 2.210 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1cccc(SC)c1)C1CC1 ZINC000274183748 330103770 /nfs/dbraw/zinc/10/37/70/330103770.db2.gz PEOMYLUZMWCSRO-UHFFFAOYSA-N 1 2 274.389 2.445 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cccc(SC)c1)C1CC1 ZINC000274183748 330103771 /nfs/dbraw/zinc/10/37/71/330103771.db2.gz PEOMYLUZMWCSRO-UHFFFAOYSA-N 1 2 274.389 2.445 20 30 CEEDLO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423221546 330179664 /nfs/dbraw/zinc/17/96/64/330179664.db2.gz ZSUVBRXNSNVJNP-PELKAZGASA-N 1 2 254.280 2.045 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C#N)C1CC1)C2 ZINC000527245954 330241634 /nfs/dbraw/zinc/24/16/34/330241634.db2.gz KSNVOZZMWOMSRJ-FZMZJTMJSA-N 1 2 286.379 2.056 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)C1CC1)CC2 ZINC000527245954 330241636 /nfs/dbraw/zinc/24/16/36/330241636.db2.gz KSNVOZZMWOMSRJ-FZMZJTMJSA-N 1 2 286.379 2.056 20 30 CEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC2(F)CC2)CC1 ZINC000527510289 330255326 /nfs/dbraw/zinc/25/53/26/330255326.db2.gz OJVVQTSEHKUKCI-OAHLLOKOSA-N 1 2 273.355 2.371 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)nn1 ZINC000424297933 330336495 /nfs/dbraw/zinc/33/64/95/330336495.db2.gz RLPPLJKNVDEXQR-HNNXBMFYSA-N 1 2 289.358 2.485 20 30 CEEDLO C=CCC[C@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OCC ZINC000449652378 330941968 /nfs/dbraw/zinc/94/19/68/330941968.db2.gz ATHVFCRYUFAKAR-RUXDESIVSA-N 1 2 269.385 2.430 20 30 CEEDLO N#CC1(C[NH+]2CCN(c3ccccc3O)CC2)CCC1 ZINC000450251193 330968588 /nfs/dbraw/zinc/96/85/88/330968588.db2.gz RSXQIISBCFQMSV-UHFFFAOYSA-N 1 2 271.364 2.208 20 30 CEEDLO Cc1cnc(N2CC[NH+](CC3(C#N)CCC3)CC2)s1 ZINC000450561681 330986517 /nfs/dbraw/zinc/98/65/17/330986517.db2.gz GDWQHTNELUPGCV-UHFFFAOYSA-N 1 2 276.409 2.267 20 30 CEEDLO N#CC1(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000451286016 331023191 /nfs/dbraw/zinc/02/31/91/331023191.db2.gz ROCCRVMGOPEJLW-RDJZCZTQSA-N 1 2 288.366 2.480 20 30 CEEDLO N#CC1(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000451286016 331023192 /nfs/dbraw/zinc/02/31/92/331023192.db2.gz ROCCRVMGOPEJLW-RDJZCZTQSA-N 1 2 288.366 2.480 20 30 CEEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000454703947 331151908 /nfs/dbraw/zinc/15/19/08/331151908.db2.gz VMRZBEZKKMLNJP-LBPRGKRZSA-N 1 2 276.384 2.272 20 30 CEEDLO C=CC(C)(C)CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455387986 331168309 /nfs/dbraw/zinc/16/83/09/331168309.db2.gz QUWVXEXOSSUEAF-QWRGUYRKSA-N 1 2 262.357 2.400 20 30 CEEDLO CC#CCN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000457472994 331224003 /nfs/dbraw/zinc/22/40/03/331224003.db2.gz RFQXXJZHAFUEAB-UHFFFAOYSA-N 1 2 298.390 2.400 20 30 CEEDLO C=C[C@H](CC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000457846868 331236411 /nfs/dbraw/zinc/23/64/11/331236411.db2.gz CBISKOZWBBYECS-CQSZACIVSA-N 1 2 283.375 2.439 20 30 CEEDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459485787 331284485 /nfs/dbraw/zinc/28/44/85/331284485.db2.gz UERODJSFHNUPLZ-GWCFXTLKSA-N 1 2 275.308 2.385 20 30 CEEDLO C=CCn1cccc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000488391753 332003676 /nfs/dbraw/zinc/00/36/76/332003676.db2.gz DGEDBUZIYKAONI-UHFFFAOYSA-N 1 2 294.358 2.294 20 30 CEEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](CCC#N)CC1 ZINC000490981565 332135545 /nfs/dbraw/zinc/13/55/45/332135545.db2.gz CHUWDFBLJFJJES-UHFFFAOYSA-N 1 2 267.373 2.231 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000491095850 332148883 /nfs/dbraw/zinc/14/88/83/332148883.db2.gz MXOKCRUASZFERZ-CMDGGOBGSA-N 1 2 265.316 2.085 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000491387145 332202742 /nfs/dbraw/zinc/20/27/42/332202742.db2.gz XLNBXJYYEKZMKV-AWEZNQCLSA-N 1 2 258.365 2.382 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000491387145 332202743 /nfs/dbraw/zinc/20/27/43/332202743.db2.gz XLNBXJYYEKZMKV-AWEZNQCLSA-N 1 2 258.365 2.382 20 30 CEEDLO CCN(CC#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491531977 332231058 /nfs/dbraw/zinc/23/10/58/332231058.db2.gz IXWQUUVWVGGALC-YVMONPNESA-N 1 2 280.331 2.258 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000491705072 332298317 /nfs/dbraw/zinc/29/83/17/332298317.db2.gz ILYVTLWGKOOASZ-PBHICJAKSA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000491705072 332298319 /nfs/dbraw/zinc/29/83/19/332298319.db2.gz ILYVTLWGKOOASZ-PBHICJAKSA-N 1 2 270.376 2.088 20 30 CEEDLO C#CC[N@@H+](Cc1cnn(C)c1C(F)(F)F)C1CC1 ZINC000491705888 332298832 /nfs/dbraw/zinc/29/88/32/332298832.db2.gz MHRCTZGOOMIJMQ-UHFFFAOYSA-N 1 2 257.259 2.037 20 30 CEEDLO C#CC[N@H+](Cc1cnn(C)c1C(F)(F)F)C1CC1 ZINC000491705888 332298833 /nfs/dbraw/zinc/29/88/33/332298833.db2.gz MHRCTZGOOMIJMQ-UHFFFAOYSA-N 1 2 257.259 2.037 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccc(C(=O)OC)[nH]1)c1ccc(F)cc1 ZINC000491711989 332303383 /nfs/dbraw/zinc/30/33/83/332303383.db2.gz WEDBPZNGNHNEFQ-AWEZNQCLSA-N 1 2 286.306 2.405 20 30 CEEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000491712122 332303534 /nfs/dbraw/zinc/30/35/34/332303534.db2.gz XKLBSMFJRTZWQU-BBRMVZONSA-N 1 2 297.333 2.075 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491738093 332317778 /nfs/dbraw/zinc/31/77/78/332317778.db2.gz WIRXPJXFVOTHJX-ZDUSSCGKSA-N 1 2 267.332 2.025 20 30 CEEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1CC(C)C)C(C)(C)C ZINC000491740554 332319531 /nfs/dbraw/zinc/31/95/31/332319531.db2.gz HUCVKHQWWSTZEH-ZDUSSCGKSA-N 1 2 290.411 2.386 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000491746087 332323865 /nfs/dbraw/zinc/32/38/65/332323865.db2.gz PZVQJMXXAALVMO-SNVBAGLBSA-N 1 2 287.331 2.136 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000491746087 332323867 /nfs/dbraw/zinc/32/38/67/332323867.db2.gz PZVQJMXXAALVMO-SNVBAGLBSA-N 1 2 287.331 2.136 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000491810771 332363413 /nfs/dbraw/zinc/36/34/13/332363413.db2.gz ALBOYIWFNJHIJV-VIFPVBQESA-N 1 2 287.388 2.339 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000491810771 332363415 /nfs/dbraw/zinc/36/34/15/332363415.db2.gz ALBOYIWFNJHIJV-VIFPVBQESA-N 1 2 287.388 2.339 20 30 CEEDLO C#C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC000491815878 332366882 /nfs/dbraw/zinc/36/68/82/332366882.db2.gz QLRLLRXEYZLYPK-CYBMUJFWSA-N 1 2 269.348 2.420 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(F)cc1 ZINC000491819816 332369697 /nfs/dbraw/zinc/36/96/97/332369697.db2.gz PBPXDDFAAYCLQQ-OAHLLOKOSA-N 1 2 299.349 2.320 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2cc(F)ccc2o1 ZINC000568753278 334839204 /nfs/dbraw/zinc/83/92/04/334839204.db2.gz MMJGMHBZLAOJSD-OAHLLOKOSA-N 1 2 289.310 2.146 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000575827319 335120225 /nfs/dbraw/zinc/12/02/25/335120225.db2.gz OYKVBIBPZXVQIS-HOCLYGCPSA-N 1 2 296.374 2.215 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000517170959 333094054 /nfs/dbraw/zinc/09/40/54/333094054.db2.gz LNEIQCRXDVQZGN-HNNXBMFYSA-N 1 2 285.391 2.116 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000227353079 333281505 /nfs/dbraw/zinc/28/15/05/333281505.db2.gz VSOKFARLSLYOAT-UHFFFAOYSA-N 1 2 275.327 2.390 20 30 CEEDLO CCC[C@H](C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000530278054 333536764 /nfs/dbraw/zinc/53/67/64/333536764.db2.gz OTJQGOZFVSEUCU-GFCCVEGCSA-N 1 2 270.336 2.304 20 30 CEEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c1Cl ZINC000576112015 335156087 /nfs/dbraw/zinc/15/60/87/335156087.db2.gz UEGCXFDBAPCHFV-AWEZNQCLSA-N 1 2 297.761 2.361 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000134993356 334111279 /nfs/dbraw/zinc/11/12/79/334111279.db2.gz LFLVIUAEVDLSSA-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000134993356 334111280 /nfs/dbraw/zinc/11/12/80/334111280.db2.gz LFLVIUAEVDLSSA-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081043357 334177103 /nfs/dbraw/zinc/17/71/03/334177103.db2.gz HMXHYIOGYQBMBS-OAHLLOKOSA-N 1 2 277.412 2.403 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081043357 334177104 /nfs/dbraw/zinc/17/71/04/334177104.db2.gz HMXHYIOGYQBMBS-OAHLLOKOSA-N 1 2 277.412 2.403 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000566429094 334648502 /nfs/dbraw/zinc/64/85/02/334648502.db2.gz OBLGSWNRRLBSDE-SNVBAGLBSA-N 1 2 267.279 2.185 20 30 CEEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)on1 ZINC000568388732 334821783 /nfs/dbraw/zinc/82/17/83/334821783.db2.gz QHYLKJQXLXLPGE-LBPRGKRZSA-N 1 2 290.367 2.326 20 30 CEEDLO CCOc1nnc(C[NH+]2CCC(CCC#N)CC2)s1 ZINC000577219125 335325031 /nfs/dbraw/zinc/32/50/31/335325031.db2.gz TYWYICVICHFHTN-UHFFFAOYSA-N 1 2 280.397 2.453 20 30 CEEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000579360560 335739708 /nfs/dbraw/zinc/73/97/08/335739708.db2.gz FNUHVUDOMAFEOH-BONVTDFDSA-N 1 2 295.333 2.028 20 30 CEEDLO C=CCC(C)(C)CNC(=O)NCCNc1cccc[nH+]1 ZINC000292874973 500573220 /nfs/dbraw/zinc/57/32/20/500573220.db2.gz UAADYTGZMIPWMQ-UHFFFAOYSA-N 1 2 276.384 2.395 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000184196465 518628535 /nfs/dbraw/zinc/62/85/35/518628535.db2.gz UBMMJRNDACVGJH-CHWSQXEVSA-N 1 2 295.452 2.224 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066559852 518786442 /nfs/dbraw/zinc/78/64/42/518786442.db2.gz 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/nfs/dbraw/zinc/80/86/30/526808630.db2.gz XUWRIZYGRHILQC-OLZOCXBDSA-N 1 2 277.368 2.445 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[S@@](=O)[C@H](C)C2)c1 ZINC000353810366 526902806 /nfs/dbraw/zinc/90/28/06/526902806.db2.gz DAVIONVLXZELFR-BFUOFWGJSA-N 1 2 279.405 2.204 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[S@@](=O)[C@H](C)C2)c1 ZINC000353810366 526902809 /nfs/dbraw/zinc/90/28/09/526902809.db2.gz DAVIONVLXZELFR-BFUOFWGJSA-N 1 2 279.405 2.204 20 30 CEEDLO C=CCn1cccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347152907 527377762 /nfs/dbraw/zinc/37/77/62/527377762.db2.gz BNLMZVJDWBOHGB-UHFFFAOYSA-N 1 2 298.390 2.479 20 30 CEEDLO Cn1cc[nH+]c1CNc1cc(C#N)c2ccccc2n1 ZINC000068770554 527436947 /nfs/dbraw/zinc/43/69/47/527436947.db2.gz YAVOTLNZOWNAIE-UHFFFAOYSA-N 1 2 263.304 2.452 20 30 CEEDLO CCOC(=O)COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000352095785 528842804 /nfs/dbraw/zinc/84/28/04/528842804.db2.gz AUXBZNMVVUFINC-ZDUSSCGKSA-N 1 2 290.363 2.220 20 30 CEEDLO CCOC(=O)COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000352095785 528842808 /nfs/dbraw/zinc/84/28/08/528842808.db2.gz AUXBZNMVVUFINC-ZDUSSCGKSA-N 1 2 290.363 2.220 20 30 CEEDLO Cn1cc[nH+]c1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000727254404 574449534 /nfs/dbraw/zinc/44/95/34/574449534.db2.gz SHLSPBVZWHEYRR-UHFFFAOYSA-N 1 2 269.230 2.280 20 30 CEEDLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787035 575234506 /nfs/dbraw/zinc/23/45/06/575234506.db2.gz CLEQQRQGQVGMHR-NXEZZACHSA-N 1 2 297.786 2.280 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)NCCCCC#N)c1C ZINC000728951442 574474077 /nfs/dbraw/zinc/47/40/77/574474077.db2.gz BONOWSHHYXVYKQ-UHFFFAOYSA-N 1 2 290.367 2.200 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1C ZINC000730095815 574501158 /nfs/dbraw/zinc/50/11/58/574501158.db2.gz HWNLDPNIHUTUQO-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1C ZINC000730095815 574501159 /nfs/dbraw/zinc/50/11/59/574501159.db2.gz HWNLDPNIHUTUQO-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO NC(=O)c1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147352 574502695 /nfs/dbraw/zinc/50/26/95/574502695.db2.gz CEQBNBNNEQWAOM-UHFFFAOYSA-N 1 2 290.326 2.202 20 30 CEEDLO O=C1Nc2ccccc2C1=NNc1cc[nH+]c2ccccc12 ZINC000730146031 574502705 /nfs/dbraw/zinc/50/27/05/574502705.db2.gz BJEMLWMCYLAHJM-UHFFFAOYSA-N 1 2 288.310 2.425 20 30 CEEDLO C#CCCOc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000733327769 574664178 /nfs/dbraw/zinc/66/41/78/574664178.db2.gz GKJAOAUADOBUBZ-UHFFFAOYSA-N 1 2 256.305 2.367 20 30 CEEDLO C#Cc1cccc(NC(=S)NNc2cc(C)[nH+]c(C)n2)c1 ZINC000735989734 574773678 /nfs/dbraw/zinc/77/36/78/574773678.db2.gz PBKUKJSYRIYHLP-UHFFFAOYSA-N 1 2 297.387 2.388 20 30 CEEDLO COC(=O)[C@H]([NH2+]CC1CCC1)c1ccc(C#N)cc1 ZINC000739991933 574938314 /nfs/dbraw/zinc/93/83/14/574938314.db2.gz ZUYOXMHLNXCWFC-CQSZACIVSA-N 1 2 258.321 2.162 20 30 CEEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000739997539 574938502 /nfs/dbraw/zinc/93/85/02/574938502.db2.gz YTAHQTTTYHYGTR-IAQYHMDHSA-N 1 2 272.348 2.408 20 30 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613372360 /nfs/dbraw/zinc/37/23/60/613372360.db2.gz GBSNBFYTOTXFLH-JTQLQIEISA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000982043627 613373525 /nfs/dbraw/zinc/37/35/25/613373525.db2.gz VGRVZNJZLCOXKO-ZDUSSCGKSA-N 1 2 282.815 2.463 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000982043627 613373526 /nfs/dbraw/zinc/37/35/26/613373526.db2.gz VGRVZNJZLCOXKO-ZDUSSCGKSA-N 1 2 282.815 2.463 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C(C)(C)C1 ZINC000975074620 613379953 /nfs/dbraw/zinc/37/99/53/613379953.db2.gz KDOUXCKBCHIZBM-NWDGAFQWSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C(C)(C)C1 ZINC000975074620 613379954 /nfs/dbraw/zinc/37/99/54/613379954.db2.gz KDOUXCKBCHIZBM-NWDGAFQWSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccsn2)C(C)(C)C1 ZINC000974714115 613381091 /nfs/dbraw/zinc/38/10/91/613381091.db2.gz RXRFRUNRTPJWGM-NSHDSACASA-N 1 2 299.827 2.336 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccsn2)C(C)(C)C1 ZINC000974714115 613381092 /nfs/dbraw/zinc/38/10/92/613381092.db2.gz RXRFRUNRTPJWGM-NSHDSACASA-N 1 2 299.827 2.336 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000957867415 613562667 /nfs/dbraw/zinc/56/26/67/613562667.db2.gz LQIOZRLYUKLSDW-HOTGVXAUSA-N 1 2 276.424 2.370 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCC(F)CC2)C1 ZINC000951619991 613653152 /nfs/dbraw/zinc/65/31/52/613653152.db2.gz QBEBPUSXDLVANZ-UHFFFAOYSA-N 1 2 268.376 2.233 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000957942803 613706796 /nfs/dbraw/zinc/70/67/96/613706796.db2.gz YULREKNDYGTQLG-UHFFFAOYSA-N 1 2 264.413 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000949134417 613707414 /nfs/dbraw/zinc/70/74/14/613707414.db2.gz SIVMUBQJOYJUTB-UHFFFAOYSA-N 1 2 276.355 2.089 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)c2c(C)noc2C)CC1 ZINC000948927654 613709022 /nfs/dbraw/zinc/70/90/22/613709022.db2.gz CXXHQTZMDCZRPJ-LBPRGKRZSA-N 1 2 291.395 2.115 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC000951769209 613710531 /nfs/dbraw/zinc/71/05/31/613710531.db2.gz VNSAUQBTEFFHBS-ZDUSSCGKSA-N 1 2 276.380 2.330 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)CC1 ZINC000957791498 613710637 /nfs/dbraw/zinc/71/06/37/613710637.db2.gz NCMCNOODNUOKHE-AWEZNQCLSA-N 1 2 288.391 2.129 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cncc3ccccc32)CC1 ZINC000957757505 613718256 /nfs/dbraw/zinc/71/82/56/613718256.db2.gz BHDGYAXUUJISCA-UHFFFAOYSA-N 1 2 281.359 2.179 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001024406798 625546661 /nfs/dbraw/zinc/54/66/61/625546661.db2.gz GELBKPVISINNNM-CQSZACIVSA-N 1 2 298.814 2.056 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001024406798 625546669 /nfs/dbraw/zinc/54/66/69/625546669.db2.gz GELBKPVISINNNM-CQSZACIVSA-N 1 2 298.814 2.056 20 30 CEEDLO C=CC[C@@H]1CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000890550653 622589135 /nfs/dbraw/zinc/58/91/35/622589135.db2.gz ZXHLQHXRCWXBAX-CYBMUJFWSA-N 1 2 255.321 2.433 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000890810872 622996421 /nfs/dbraw/zinc/99/64/21/622996421.db2.gz IFHOMDAFNWJGCK-CYBMUJFWSA-N 1 2 261.369 2.260 20 30 CEEDLO N#CCC[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933072856 623475462 /nfs/dbraw/zinc/47/54/62/623475462.db2.gz KDGJNRXLGVZBKK-CQSZACIVSA-N 1 2 272.348 2.251 20 30 CEEDLO CCn1c[nH+]c2c1CCN(Cc1ccccc1C#N)C2 ZINC000933255077 623561707 /nfs/dbraw/zinc/56/17/07/623561707.db2.gz WJXDBYKWTLUVSW-UHFFFAOYSA-N 1 2 266.348 2.333 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328931244 623962296 /nfs/dbraw/zinc/96/22/96/623962296.db2.gz HTZCSHRDQGYVNK-MDZLAQPJSA-N 1 2 258.325 2.094 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000745 634932942 /nfs/dbraw/zinc/93/29/42/634932942.db2.gz IMQPQCWQBGCTKC-OLZOCXBDSA-N 1 2 256.365 2.233 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)[C@@H](CO)SC ZINC000820663835 634494355 /nfs/dbraw/zinc/49/43/55/634494355.db2.gz CSWQAKGTNWVRCN-TZMCWYRMSA-N 1 2 294.420 2.398 20 30 CEEDLO NC(=[NH+]OCC1(Br)CC1)c1ccc(F)cc1 ZINC000902174560 634514708 /nfs/dbraw/zinc/51/47/08/634514708.db2.gz CAKBKTZBBJVSCB-UHFFFAOYSA-N 1 2 287.132 2.390 20 30 CEEDLO C#CCCCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000820837106 634546879 /nfs/dbraw/zinc/54/68/79/634546879.db2.gz HVTSUBSRBVVUKV-LLVKDONJSA-N 1 2 287.285 2.296 20 30 CEEDLO C[C@H](c1ccc(F)nc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000930828373 628280608 /nfs/dbraw/zinc/28/06/08/628280608.db2.gz PKFDQJDKMOOVSX-JHJVBQTASA-N 1 2 276.359 2.200 20 30 CEEDLO COC(=O)C12CC(C1)C[N@@H+]2Cc1c(C)cc(C#N)cc1C ZINC000930967999 628323587 /nfs/dbraw/zinc/32/35/87/628323587.db2.gz VFNITQACQJZJMY-UHFFFAOYSA-N 1 2 284.359 2.313 20 30 CEEDLO COC(=O)C12CC(C1)C[N@H+]2Cc1c(C)cc(C#N)cc1C ZINC000930967999 628323588 /nfs/dbraw/zinc/32/35/88/628323588.db2.gz VFNITQACQJZJMY-UHFFFAOYSA-N 1 2 284.359 2.313 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000893524533 628676181 /nfs/dbraw/zinc/67/61/81/628676181.db2.gz NJOTZSDSUWYYGU-MELADBBJSA-N 1 2 282.359 2.246 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000893524533 628676183 /nfs/dbraw/zinc/67/61/83/628676183.db2.gz NJOTZSDSUWYYGU-MELADBBJSA-N 1 2 282.359 2.246 20 30 CEEDLO C=C[C@H]1CCCCN1c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893552837 628734783 /nfs/dbraw/zinc/73/47/83/628734783.db2.gz ZQPCKTLATCGYOH-OLZOCXBDSA-N 1 2 276.384 2.204 20 30 CEEDLO C=C[C@H]1CCCCN1c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893552837 628734788 /nfs/dbraw/zinc/73/47/88/628734788.db2.gz ZQPCKTLATCGYOH-OLZOCXBDSA-N 1 2 276.384 2.204 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893683538 628915603 /nfs/dbraw/zinc/91/56/03/628915603.db2.gz JFQQVDOMTKRHFB-VXGBXAGGSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893683538 628915605 /nfs/dbraw/zinc/91/56/05/628915605.db2.gz JFQQVDOMTKRHFB-VXGBXAGGSA-N 1 2 264.373 2.426 20 30 CEEDLO N#C[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977516 /nfs/dbraw/zinc/97/75/16/628977516.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO N#C[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977519 /nfs/dbraw/zinc/97/75/19/628977519.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO N#C[C@@H]1CCCN(CCCC[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977525 /nfs/dbraw/zinc/97/75/25/628977525.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO N#C[C@@H]1CCCN(CCCC[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977526 /nfs/dbraw/zinc/97/75/26/628977526.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](CCCCN2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977528 /nfs/dbraw/zinc/97/75/28/628977528.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](CCCCN2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977532 /nfs/dbraw/zinc/97/75/32/628977532.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932162169 628980928 /nfs/dbraw/zinc/98/09/28/628980928.db2.gz PDUGTGKUSFPGRC-HZPDHXFCSA-N 1 2 288.391 2.279 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932162169 628980930 /nfs/dbraw/zinc/98/09/30/628980930.db2.gz PDUGTGKUSFPGRC-HZPDHXFCSA-N 1 2 288.391 2.279 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124002 629149189 /nfs/dbraw/zinc/14/91/89/629149189.db2.gz FBSNFNPPQUJSIV-JMSVASOKSA-N 1 2 292.404 2.388 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124002 629149192 /nfs/dbraw/zinc/14/91/92/629149192.db2.gz FBSNFNPPQUJSIV-JMSVASOKSA-N 1 2 292.404 2.388 20 30 CEEDLO CC[NH+](CC)[C@H](C)C/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000794835778 629332244 /nfs/dbraw/zinc/33/22/44/629332244.db2.gz YGABGINMZQDCGK-MKVLZVNKSA-N 1 2 279.340 2.450 20 30 CEEDLO CNc1cc(N2CCc3c(CC#N)cccc3C2)nc[nH+]1 ZINC000894822802 629659358 /nfs/dbraw/zinc/65/93/58/629659358.db2.gz TXZPGSRWMCNSBH-UHFFFAOYSA-N 1 2 279.347 2.147 20 30 CEEDLO CNc1cc(N2CCc3c(CC#N)cccc3C2)[nH+]cn1 ZINC000894822802 629659361 /nfs/dbraw/zinc/65/93/61/629659361.db2.gz TXZPGSRWMCNSBH-UHFFFAOYSA-N 1 2 279.347 2.147 20 30 CEEDLO CCNc1cc(CNc2nnc(C)c(C)c2C#N)cc[nH+]1 ZINC000894872070 629708564 /nfs/dbraw/zinc/70/85/64/629708564.db2.gz XIMPDIPAJNIJDR-UHFFFAOYSA-N 1 2 282.351 2.404 20 30 CEEDLO C=CCCC[N@@H+](CC)Cn1nc(CO)n(C2CC2)c1=S ZINC000902669464 634776607 /nfs/dbraw/zinc/77/66/07/634776607.db2.gz MLDQPWOYRYNVFF-UHFFFAOYSA-N 1 2 296.440 2.487 20 30 CEEDLO C=CCCC[N@H+](CC)Cn1nc(CO)n(C2CC2)c1=S ZINC000902669464 634776613 /nfs/dbraw/zinc/77/66/13/634776613.db2.gz MLDQPWOYRYNVFF-UHFFFAOYSA-N 1 2 296.440 2.487 20 30 CEEDLO Cc1[nH]c([C@@H]2CCCN2c2cc(C#N)cnn2)[nH+]c1C ZINC000895198060 630026743 /nfs/dbraw/zinc/02/67/43/630026743.db2.gz XYBYDZXPKZRPHE-LBPRGKRZSA-N 1 2 268.324 2.030 20 30 CEEDLO COc1nccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC000895313311 630104254 /nfs/dbraw/zinc/10/42/54/630104254.db2.gz FVQDHZNYXLTZOU-LLVKDONJSA-N 1 2 263.316 2.355 20 30 CEEDLO COc1nccc(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC000895313311 630104257 /nfs/dbraw/zinc/10/42/57/630104257.db2.gz FVQDHZNYXLTZOU-LLVKDONJSA-N 1 2 263.316 2.355 20 30 CEEDLO C#CC[N@H+](Cc1cnn(CC2CCC2)c1)C1CSC1 ZINC000895811783 630357848 /nfs/dbraw/zinc/35/78/48/630357848.db2.gz VGHHTMGALMVOBO-UHFFFAOYSA-N 1 2 275.421 2.234 20 30 CEEDLO C#CC[N@@H+](Cc1cnn(CC2CCC2)c1)C1CSC1 ZINC000895811783 630357850 /nfs/dbraw/zinc/35/78/50/630357850.db2.gz VGHHTMGALMVOBO-UHFFFAOYSA-N 1 2 275.421 2.234 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1cc(C#N)nc(C3CC3)n1)C2 ZINC000896654729 630627019 /nfs/dbraw/zinc/62/70/19/630627019.db2.gz RJNVOHXGFTZNTL-UHFFFAOYSA-N 1 2 294.362 2.005 20 30 CEEDLO CCOc1cccc(/C=[NH+]\CCc2cn(C)cn2)c1O ZINC000840712109 630932782 /nfs/dbraw/zinc/93/27/82/630932782.db2.gz VSKMUDBCDYBCJI-SXGWCWSVSA-N 1 2 273.336 2.186 20 30 CEEDLO CC#CC[N@@H+](C)Cc1ccc(OC)c(OC)c1F ZINC000897168514 630971571 /nfs/dbraw/zinc/97/15/71/630971571.db2.gz ACZUWPUZPCJSEQ-UHFFFAOYSA-N 1 2 251.301 2.298 20 30 CEEDLO CC#CC[N@H+](C)Cc1ccc(OC)c(OC)c1F ZINC000897168514 630971572 /nfs/dbraw/zinc/97/15/72/630971572.db2.gz ACZUWPUZPCJSEQ-UHFFFAOYSA-N 1 2 251.301 2.298 20 30 CEEDLO N#CCC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000799163126 630988803 /nfs/dbraw/zinc/98/88/03/630988803.db2.gz GJTJLMKBHMAYNV-UHFFFAOYSA-N 1 2 250.733 2.256 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305171232 631110864 /nfs/dbraw/zinc/11/08/64/631110864.db2.gz JPSLYZHQXXSAMU-FZMZJTMJSA-N 1 2 277.324 2.110 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305171232 631110865 /nfs/dbraw/zinc/11/08/65/631110865.db2.gz JPSLYZHQXXSAMU-FZMZJTMJSA-N 1 2 277.324 2.110 20 30 CEEDLO C#CCOc1ccc(CN2CCc3c([nH+]cn3CC)C2)cc1 ZINC000897336821 631138073 /nfs/dbraw/zinc/13/80/73/631138073.db2.gz PGFYYUPNXYXMJM-UHFFFAOYSA-N 1 2 295.386 2.473 20 30 CEEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000801107488 631224358 /nfs/dbraw/zinc/22/43/58/631224358.db2.gz IERCFARKPAYVLZ-UHFFFAOYSA-N 1 2 284.403 2.478 20 30 CEEDLO C=CC[N@H+]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000989415397 631822799 /nfs/dbraw/zinc/82/27/99/631822799.db2.gz CRPFETQXZUCHOP-UHFFFAOYSA-N 1 2 298.390 2.205 20 30 CEEDLO C=CC[N@@H+]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000989415397 631822804 /nfs/dbraw/zinc/82/28/04/631822804.db2.gz CRPFETQXZUCHOP-UHFFFAOYSA-N 1 2 298.390 2.205 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898195837 632110086 /nfs/dbraw/zinc/11/00/86/632110086.db2.gz ZIDYVJHMJRLRLV-KGLIPLIRSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898195837 632110092 /nfs/dbraw/zinc/11/00/92/632110092.db2.gz ZIDYVJHMJRLRLV-KGLIPLIRSA-N 1 2 265.328 2.156 20 30 CEEDLO N#CCCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810651068 632251433 /nfs/dbraw/zinc/25/14/33/632251433.db2.gz GIFFQQNSYJWBGO-UHFFFAOYSA-N 1 2 283.331 2.321 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC000989883504 632259752 /nfs/dbraw/zinc/25/97/52/632259752.db2.gz KARWGPXUSXYXND-JOYOIKCWSA-N 1 2 278.730 2.117 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC000989883504 632259755 /nfs/dbraw/zinc/25/97/55/632259755.db2.gz KARWGPXUSXYXND-JOYOIKCWSA-N 1 2 278.730 2.117 20 30 CEEDLO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1C#N ZINC000926962780 632390301 /nfs/dbraw/zinc/39/03/01/632390301.db2.gz MUAZXHVMXLDQKD-FZMZJTMJSA-N 1 2 267.336 2.254 20 30 CEEDLO CCOc1cccc(/C=N\Cc2c[nH+]cn2C)c1O ZINC000811624476 632410293 /nfs/dbraw/zinc/41/02/93/632410293.db2.gz GCZQQFVNPLOUMT-CHHVJCJISA-N 1 2 259.309 2.144 20 30 CEEDLO C=CCCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927095785 632459221 /nfs/dbraw/zinc/45/92/21/632459221.db2.gz YJPQVNBBIOZRGW-UHFFFAOYSA-N 1 2 259.353 2.451 20 30 CEEDLO CCn1nc(C)c(C(=O)/C=C/c2ccc(N)[nH+]c2)c1C ZINC000899350281 632799349 /nfs/dbraw/zinc/79/93/49/632799349.db2.gz BPLMZTDCNYHBPH-FNORWQNLSA-N 1 2 270.336 2.393 20 30 CEEDLO Nc1ccc(/C=C\C(=O)c2cnn(C3CCC3)c2)c[nH+]1 ZINC000899400410 632826348 /nfs/dbraw/zinc/82/63/48/632826348.db2.gz JWROWRDDZIZPCI-XQRVVYSFSA-N 1 2 268.320 2.481 20 30 CEEDLO Nc1ccc2c(c1)C(=[NH+]Nc1[nH]cnc3ncnc1-3)CCC2 ZINC000814813631 632903074 /nfs/dbraw/zinc/90/30/74/632903074.db2.gz HFFYHXPOHIORMY-UHFFFAOYSA-N 1 2 293.334 2.088 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]NCCc1ccccc1F ZINC000814875429 632912404 /nfs/dbraw/zinc/91/24/04/632912404.db2.gz IAMYVNJEBARSSP-UHFFFAOYSA-N 1 2 299.353 2.071 20 30 CEEDLO COC(=O)c1cccc(N[NH+]=C(C)c2ccc(N)nc2)c1 ZINC000814900805 632920186 /nfs/dbraw/zinc/92/01/86/632920186.db2.gz IXKHZVFDFXFXHY-UHFFFAOYSA-N 1 2 284.319 2.287 20 30 CEEDLO N#Cc1c(F)cccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000815154443 632973185 /nfs/dbraw/zinc/97/31/85/632973185.db2.gz CGCREYNGNWPSKO-UHFFFAOYSA-N 1 2 290.338 2.426 20 30 CEEDLO CC[C@H]([NH2+]Cc1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000902872906 634865530 /nfs/dbraw/zinc/86/55/30/634865530.db2.gz QYTVLWRRGGDPPC-AWEZNQCLSA-N 1 2 282.351 2.121 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1=S ZINC000817368413 633642158 /nfs/dbraw/zinc/64/21/58/633642158.db2.gz IBQNMQPFZQMLCI-CYBMUJFWSA-N 1 2 293.440 2.465 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1=S ZINC000817368413 633642164 /nfs/dbraw/zinc/64/21/64/633642164.db2.gz IBQNMQPFZQMLCI-CYBMUJFWSA-N 1 2 293.440 2.465 20 30 CEEDLO C#CCN(CC)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900354350 633679791 /nfs/dbraw/zinc/67/97/91/633679791.db2.gz YZXGWDJHUJZWAD-UHFFFAOYSA-N 1 2 296.374 2.091 20 30 CEEDLO COc1ccc(CN[C@@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000817916350 633775005 /nfs/dbraw/zinc/77/50/05/633775005.db2.gz WXHLWIMYYWIWTF-NSHDSACASA-N 1 2 282.347 2.225 20 30 CEEDLO COc1ccc(C[NH2+][C@@H](C)c2cnccc2N)cc1C#N ZINC000817916350 633775008 /nfs/dbraw/zinc/77/50/08/633775008.db2.gz WXHLWIMYYWIWTF-NSHDSACASA-N 1 2 282.347 2.225 20 30 CEEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccnn2C)s1 ZINC000901223354 634013060 /nfs/dbraw/zinc/01/30/60/634013060.db2.gz DMKMAKUUFGNFSM-UHFFFAOYSA-N 1 2 278.385 2.169 20 30 CEEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2nn(C)cc2C1=O ZINC000901509278 634151788 /nfs/dbraw/zinc/15/17/88/634151788.db2.gz WVKKVHRURBQYFY-IZZDOVSWSA-N 1 2 270.336 2.410 20 30 CEEDLO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cn(C)nn1 ZINC000902919932 634888300 /nfs/dbraw/zinc/88/83/00/634888300.db2.gz RBVKCFSKQFHZGM-NSHDSACASA-N 1 2 267.336 2.027 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000745 634932938 /nfs/dbraw/zinc/93/29/38/634932938.db2.gz IMQPQCWQBGCTKC-OLZOCXBDSA-N 1 2 256.365 2.233 20 30 CEEDLO CC(C)[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1nncn1C ZINC000903063036 634951870 /nfs/dbraw/zinc/95/18/70/634951870.db2.gz BGJAQXAAJQZIBO-FZMZJTMJSA-N 1 2 284.367 2.130 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3ccncc3s2)CC1 ZINC000822934479 635031020 /nfs/dbraw/zinc/03/10/20/635031020.db2.gz FQXGBADKQWALKM-UHFFFAOYSA-N 1 2 299.399 2.077 20 30 CEEDLO CCCCN(O)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000904215029 635514973 /nfs/dbraw/zinc/51/49/73/635514973.db2.gz XQHCPRJAVLVSKY-UHFFFAOYSA-N 1 2 275.308 2.209 20 30 CEEDLO C#CCCCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904259245 635543638 /nfs/dbraw/zinc/54/36/38/635543638.db2.gz COXUFCIYFAHTKO-UHFFFAOYSA-N 1 2 256.309 2.368 20 30 CEEDLO COCOc1ccc(C#N)cc1-c1c[nH+]c(C)n1C ZINC000904882421 635748617 /nfs/dbraw/zinc/74/86/17/635748617.db2.gz STJATNKWGFMBMQ-UHFFFAOYSA-N 1 2 257.293 2.250 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@H]2CC(=O)N(C)C2)c1 ZINC000905002448 635774108 /nfs/dbraw/zinc/77/41/08/635774108.db2.gz PCWWFNFHHIKGOF-VAKHEIKFSA-N 1 2 290.363 2.078 20 30 CEEDLO CCn1nc(C)c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)n1 ZINC000905087917 635801049 /nfs/dbraw/zinc/80/10/49/635801049.db2.gz SEVUOIZZVRUUFB-SREVYHEPSA-N 1 2 295.346 2.459 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826694663 635817115 /nfs/dbraw/zinc/81/71/15/635817115.db2.gz AVRGOKSFPUSWQU-MRXNPFEDSA-N 1 2 295.342 2.376 20 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/nfs/dbraw/zinc/18/45/31/637184531.db2.gz RKLYUIBUMSJMAC-UHFFFAOYSA-N 1 2 297.362 2.479 20 30 CEEDLO Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000831785666 637434621 /nfs/dbraw/zinc/43/46/21/637434621.db2.gz WGIDHBAVASHLSF-GFCCVEGCSA-N 1 2 282.347 2.085 20 30 CEEDLO Cc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000831785666 637434626 /nfs/dbraw/zinc/43/46/26/637434626.db2.gz WGIDHBAVASHLSF-GFCCVEGCSA-N 1 2 282.347 2.085 20 30 CEEDLO C=CCC[C@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000911632973 638339422 /nfs/dbraw/zinc/33/94/22/638339422.db2.gz NJHMKOWDFRFVAI-AWEZNQCLSA-N 1 2 276.384 2.413 20 30 CEEDLO CSC(C)(C)CC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000876733520 650413730 /nfs/dbraw/zinc/41/37/30/650413730.db2.gz ABOUTHMPWMMRCS-ZDUSSCGKSA-N 1 2 267.442 2.190 20 30 CEEDLO CSC(C)(C)CC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000876733520 650413734 /nfs/dbraw/zinc/41/37/34/650413734.db2.gz ABOUTHMPWMMRCS-ZDUSSCGKSA-N 1 2 267.442 2.190 20 30 CEEDLO C=CCC[C@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000911718143 638369903 /nfs/dbraw/zinc/36/99/03/638369903.db2.gz ICDCTSRHDPLIAU-ZDUSSCGKSA-N 1 2 262.357 2.023 20 30 CEEDLO O=C(C#CC1CC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000837402936 639216379 /nfs/dbraw/zinc/21/63/79/639216379.db2.gz VZSGXPIJKVYESM-UHFFFAOYSA-N 1 2 297.402 2.492 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2cccnc2)cc1 ZINC000193584895 639353259 /nfs/dbraw/zinc/35/32/59/639353259.db2.gz ULOYDQKOBLVYLP-UHFFFAOYSA-N 1 2 271.320 2.122 20 30 CEEDLO C=C(Br)C[NH2+]Cc1c(Cl)c(C)nn1C ZINC000168292463 639566759 /nfs/dbraw/zinc/56/67/59/639566759.db2.gz VQNLCHKAVDWRNM-UHFFFAOYSA-N 1 2 278.581 2.380 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CCCN2CCCC2=O)c1 ZINC000060802501 639652600 /nfs/dbraw/zinc/65/26/00/639652600.db2.gz XWBRVGGDLNOZIJ-SFQUDFHCSA-N 1 2 290.363 2.222 20 30 CEEDLO Cc1ccc(NC(=O)NCC2(C#N)CCC2)c(N(C)C)[nH+]1 ZINC000841674047 639834092 /nfs/dbraw/zinc/83/40/92/639834092.db2.gz CGANNDWCUTWGGZ-UHFFFAOYSA-N 1 2 287.367 2.271 20 30 CEEDLO CC[C@H](CO[NH+]=C(N)c1ccc(Cl)cc1)OC ZINC000842019552 639920550 /nfs/dbraw/zinc/92/05/50/639920550.db2.gz QENIOVUUBROPHR-LLVKDONJSA-N 1 2 256.733 2.402 20 30 CEEDLO COC1(CO[NH+]=C(N)c2ccc(F)c(C)c2)CCC1 ZINC000842022773 639921422 /nfs/dbraw/zinc/92/14/22/639921422.db2.gz NDVQHQIKOAQYDF-UHFFFAOYSA-N 1 2 266.316 2.340 20 30 CEEDLO C#CCC[C@@H](O)CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000842039131 639928896 /nfs/dbraw/zinc/92/88/96/639928896.db2.gz KGEWKHVJYAHMAJ-LLVKDONJSA-N 1 2 298.321 2.436 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+](C)CCC(C)(C)C)c1=S ZINC000842630398 640126415 /nfs/dbraw/zinc/12/64/15/640126415.db2.gz DYAQDQLOGARECA-UHFFFAOYSA-N 1 2 281.429 2.343 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+](C)CCC(C)(C)C)c1=S ZINC000842630398 640126420 /nfs/dbraw/zinc/12/64/20/640126420.db2.gz DYAQDQLOGARECA-UHFFFAOYSA-N 1 2 281.429 2.343 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000929830341 640414654 /nfs/dbraw/zinc/41/46/54/640414654.db2.gz DHBBXHCZCNDVPA-OCCSQVGLSA-N 1 2 287.363 2.142 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000929830341 640414657 /nfs/dbraw/zinc/41/46/57/640414657.db2.gz DHBBXHCZCNDVPA-OCCSQVGLSA-N 1 2 287.363 2.142 20 30 CEEDLO CC(=O)OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000153483501 640515539 /nfs/dbraw/zinc/51/55/39/640515539.db2.gz JVAIAKSYAOQSLZ-UHFFFAOYSA-N 1 2 276.311 2.225 20 30 CEEDLO C=C(Cl)Cn1c2ccccc2[nH+]c1NCCO ZINC000915671177 640600671 /nfs/dbraw/zinc/60/06/71/640600671.db2.gz LYICRLMOICSIRI-UHFFFAOYSA-N 1 2 251.717 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2occc2C)C1 ZINC001015677273 640671145 /nfs/dbraw/zinc/67/11/45/640671145.db2.gz UTSTVVNRYKPRQC-GFCCVEGCSA-N 1 2 282.771 2.074 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2occc2C)C1 ZINC001015677273 640671147 /nfs/dbraw/zinc/67/11/47/640671147.db2.gz UTSTVVNRYKPRQC-GFCCVEGCSA-N 1 2 282.771 2.074 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372421 640697295 /nfs/dbraw/zinc/69/72/95/640697295.db2.gz YMSZVBJOMAWRND-CQSZACIVSA-N 1 2 298.371 2.052 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372421 640697300 /nfs/dbraw/zinc/69/73/00/640697300.db2.gz YMSZVBJOMAWRND-CQSZACIVSA-N 1 2 298.371 2.052 20 30 CEEDLO C#CCOc1ccccc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844382125 640701605 /nfs/dbraw/zinc/70/16/05/640701605.db2.gz SGALFRRDAQPQJS-ZDUSSCGKSA-N 1 2 284.315 2.452 20 30 CEEDLO C[C@H](CC(=O)O[C@@H]1CCC[C@H](C#N)C1)n1cc[nH+]c1 ZINC000844559985 640766999 /nfs/dbraw/zinc/76/69/99/640766999.db2.gz CHUHZIWZDBXWQK-FRRDWIJNSA-N 1 2 261.325 2.460 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)CC12CCCC2 ZINC000844686757 640807654 /nfs/dbraw/zinc/80/76/54/640807654.db2.gz SANNGTKEFBOJGJ-UHFFFAOYSA-N 1 2 283.375 2.493 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CC12CCCC2 ZINC000844686757 640807668 /nfs/dbraw/zinc/80/76/68/640807668.db2.gz SANNGTKEFBOJGJ-UHFFFAOYSA-N 1 2 283.375 2.493 20 30 CEEDLO Cc1cc([C@@H](C#N)C(=O)C[C@@H](C)n2cc[nH+]c2)nc(C)n1 ZINC000845443438 640976509 /nfs/dbraw/zinc/97/65/09/640976509.db2.gz DNOXYLGBIKXGPQ-DGCLKSJQSA-N 1 2 283.335 2.118 20 30 CEEDLO C=CCCOCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921149954 641230416 /nfs/dbraw/zinc/23/04/16/641230416.db2.gz BPOSSBZPXTXVKL-UHFFFAOYSA-N 1 2 285.347 2.081 20 30 CEEDLO Cc1cc(C#N)ccc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000846751573 641411930 /nfs/dbraw/zinc/41/19/30/641411930.db2.gz WTMSRZBYFROHPA-UHFFFAOYSA-N 1 2 293.374 2.292 20 30 CEEDLO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000846990961 641513871 /nfs/dbraw/zinc/51/38/71/641513871.db2.gz GFBIICYVKMXHQA-STQMWFEESA-N 1 2 253.390 2.353 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000847472584 641670633 /nfs/dbraw/zinc/67/06/33/641670633.db2.gz AZLMSXRGQDUDRC-LBPRGKRZSA-N 1 2 283.331 2.239 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000847472584 641670636 /nfs/dbraw/zinc/67/06/36/641670636.db2.gz AZLMSXRGQDUDRC-LBPRGKRZSA-N 1 2 283.331 2.239 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000848284746 641951451 /nfs/dbraw/zinc/95/14/51/641951451.db2.gz LRDCMFWNUZMJLY-AWEZNQCLSA-N 1 2 281.359 2.057 20 30 CEEDLO c1cn(CCCNN=C2CCC3(CCCO3)CC2)c[nH+]1 ZINC000848417443 641985655 /nfs/dbraw/zinc/98/56/55/641985655.db2.gz ZTGSIIMLWRECIX-UHFFFAOYSA-N 1 2 276.384 2.342 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)C1CCSCC1 ZINC000848417174 641985672 /nfs/dbraw/zinc/98/56/72/641985672.db2.gz NWQIRCPALIKRSV-UHFFFAOYSA-N 1 2 266.414 2.382 20 30 CEEDLO CCn1c(C=NNCCCn2cc[nH+]c2)nc2ccccc21 ZINC000848418137 641985861 /nfs/dbraw/zinc/98/58/61/641985861.db2.gz KJAJFIFBTGHAFW-UHFFFAOYSA-N 1 2 296.378 2.267 20 30 CEEDLO COc1cc(C(C)=NNCCCn2cc[nH+]c2)ccc1F ZINC000848418988 641987051 /nfs/dbraw/zinc/98/70/51/641987051.db2.gz UAXSYDZEAQUHEZ-UHFFFAOYSA-N 1 2 290.342 2.435 20 30 CEEDLO c1cn(CCCNN=C2CCCOc3ccccc32)c[nH+]1 ZINC000848418739 641987315 /nfs/dbraw/zinc/98/73/15/641987315.db2.gz SDRSQXLWUXYQQK-UHFFFAOYSA-N 1 2 284.363 2.440 20 30 CEEDLO Fc1ccc2c(c1)C(=NNCCCn1cc[nH+]c1)CC2 ZINC000848418941 641987410 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ZINC000852092223 643296779 /nfs/dbraw/zinc/29/67/79/643296779.db2.gz RSMJVMNKFHKHPT-LBPRGKRZSA-N 1 2 279.302 2.068 20 30 CEEDLO C#CCOCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000852092223 643296783 /nfs/dbraw/zinc/29/67/83/643296783.db2.gz RSMJVMNKFHKHPT-LBPRGKRZSA-N 1 2 279.302 2.068 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1nc(Cl)ccc1Br ZINC000877639584 650829502 /nfs/dbraw/zinc/82/95/02/650829502.db2.gz BWXHWDVQEWCMMC-SSDOTTSWSA-N 1 2 291.576 2.134 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295879 643383717 /nfs/dbraw/zinc/38/37/17/643383717.db2.gz LJNHBVULRQRPDJ-UHFFFAOYSA-N 1 2 285.322 2.067 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295879 643383724 /nfs/dbraw/zinc/38/37/24/643383724.db2.gz LJNHBVULRQRPDJ-UHFFFAOYSA-N 1 2 285.322 2.067 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCc1nc(C)no1 ZINC000853240471 643719246 /nfs/dbraw/zinc/71/92/46/643719246.db2.gz JFPRLQTVUQQIGW-UHFFFAOYSA-N 1 2 286.335 2.220 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC000923584560 643774713 /nfs/dbraw/zinc/77/47/13/643774713.db2.gz SFNSHCXAQICBGX-CYBMUJFWSA-N 1 2 288.416 2.453 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC000923584560 643774715 /nfs/dbraw/zinc/77/47/15/643774715.db2.gz SFNSHCXAQICBGX-CYBMUJFWSA-N 1 2 288.416 2.453 20 30 CEEDLO CC(C)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853523628 643801831 /nfs/dbraw/zinc/80/18/31/643801831.db2.gz GJFXDCJZBMNGEF-KBPBESRZSA-N 1 2 263.385 2.074 20 30 CEEDLO CC(C)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853523628 643801832 /nfs/dbraw/zinc/80/18/32/643801832.db2.gz GJFXDCJZBMNGEF-KBPBESRZSA-N 1 2 263.385 2.074 20 30 CEEDLO C=CC[N@H+](CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1)[C@@H](C)COC ZINC000853535400 643805538 /nfs/dbraw/zinc/80/55/38/643805538.db2.gz UHQYXKSSALLXHM-MAZHCROVSA-N 1 2 292.423 2.114 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1)[C@@H](C)COC ZINC000853535400 643805543 /nfs/dbraw/zinc/80/55/43/643805543.db2.gz UHQYXKSSALLXHM-MAZHCROVSA-N 1 2 292.423 2.114 20 30 CEEDLO C=CC[C@H]1CCC[N@@H+](Cn2ncn(CCOC)c2=S)C1 ZINC000853537199 643807568 /nfs/dbraw/zinc/80/75/68/643807568.db2.gz QYONPOVDEWJLGD-ZDUSSCGKSA-N 1 2 296.440 2.306 20 30 CEEDLO C=CC[C@H]1CCC[N@H+](Cn2ncn(CCOC)c2=S)C1 ZINC000853537199 643807572 /nfs/dbraw/zinc/80/75/72/643807572.db2.gz QYONPOVDEWJLGD-ZDUSSCGKSA-N 1 2 296.440 2.306 20 30 CEEDLO Cc1n[nH]cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000877747049 650892433 /nfs/dbraw/zinc/89/24/33/650892433.db2.gz UELGHAMNGITHEO-UHFFFAOYSA-N 1 2 299.353 2.051 20 30 CEEDLO C#CC[C@@H]([NH2+]C1CCC(CSC)CC1)C(=O)OC ZINC000839168433 644177869 /nfs/dbraw/zinc/17/78/69/644177869.db2.gz LTRDUZRUJWKLJL-WXRRBKDZSA-N 1 2 269.410 2.063 20 30 CEEDLO C#CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OC ZINC000839169368 644178093 /nfs/dbraw/zinc/17/80/93/644178093.db2.gz RXHDPPLXOSOSFL-VHSXEESVSA-N 1 2 265.275 2.262 20 30 CEEDLO C#CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OC ZINC000839169369 644178521 /nfs/dbraw/zinc/17/85/21/644178521.db2.gz RXHDPPLXOSOSFL-ZJUUUORDSA-N 1 2 265.275 2.262 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000839170070 644179017 /nfs/dbraw/zinc/17/90/17/644179017.db2.gz VYFIKLQKLXVSIG-JQWIXIFHSA-N 1 2 273.323 2.355 20 30 CEEDLO CCCCCCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000754863468 644441983 /nfs/dbraw/zinc/44/19/83/644441983.db2.gz CDKLOOYSJSQXBP-OAHLLOKOSA-N 1 2 299.459 2.367 20 30 CEEDLO CCCCCCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000754863468 644441989 /nfs/dbraw/zinc/44/19/89/644441989.db2.gz CDKLOOYSJSQXBP-OAHLLOKOSA-N 1 2 299.459 2.367 20 30 CEEDLO Cc1nc(NCc2cccc(C(=O)OCC#N)c2)cc[nH+]1 ZINC000754952801 644452912 /nfs/dbraw/zinc/45/29/12/644452912.db2.gz NWSQULJPJKYAAT-UHFFFAOYSA-N 1 2 282.303 2.078 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000756382458 644639303 /nfs/dbraw/zinc/63/93/03/644639303.db2.gz ZWSBOJGELCBRBX-OAHLLOKOSA-N 1 2 285.347 2.381 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901623 650942081 /nfs/dbraw/zinc/94/20/81/650942081.db2.gz QAUCRQKCEBAICG-UWVGGRQHSA-N 1 2 265.275 2.378 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901623 650942082 /nfs/dbraw/zinc/94/20/82/650942082.db2.gz QAUCRQKCEBAICG-UWVGGRQHSA-N 1 2 265.275 2.378 20 30 CEEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000757839778 644849513 /nfs/dbraw/zinc/84/95/13/644849513.db2.gz PMKKGVPTYKVWEZ-ZIAGYGMSSA-N 1 2 250.386 2.169 20 30 CEEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000757839778 644849519 /nfs/dbraw/zinc/84/95/19/644849519.db2.gz PMKKGVPTYKVWEZ-ZIAGYGMSSA-N 1 2 250.386 2.169 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000757831847 644849540 /nfs/dbraw/zinc/84/95/40/644849540.db2.gz UUWOVNDSOYSSMJ-STQMWFEESA-N 1 2 271.405 2.024 20 30 CEEDLO CCc1nn(C)c(Cl)c1C[NH2+]CC(C)(C)C#N ZINC000757904496 644854811 /nfs/dbraw/zinc/85/48/11/644854811.db2.gz HDSFYIZIJQKQHO-UHFFFAOYSA-N 1 2 254.765 2.275 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000758143174 644888001 /nfs/dbraw/zinc/88/80/01/644888001.db2.gz MUDUTGJWMOUGFD-GFCCVEGCSA-N 1 2 280.372 2.040 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000759439733 645027543 /nfs/dbraw/zinc/02/75/43/645027543.db2.gz SIXAPGORSXYPJF-HNNXBMFYSA-N 1 2 298.386 2.436 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000759439733 645027544 /nfs/dbraw/zinc/02/75/44/645027544.db2.gz SIXAPGORSXYPJF-HNNXBMFYSA-N 1 2 298.386 2.436 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1C ZINC000878034830 650979524 /nfs/dbraw/zinc/97/95/24/650979524.db2.gz LAAVAJCCGBEPFY-NSHDSACASA-N 1 2 260.337 2.373 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1C ZINC000878034830 650979526 /nfs/dbraw/zinc/97/95/26/650979526.db2.gz LAAVAJCCGBEPFY-NSHDSACASA-N 1 2 260.337 2.373 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc(OC(F)F)cc1 ZINC000790300583 645207473 /nfs/dbraw/zinc/20/74/73/645207473.db2.gz VVBBPGFTTULIRH-UHFFFAOYSA-N 1 2 266.251 2.468 20 30 CEEDLO C#CC[C@@H](COC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000858860475 645274647 /nfs/dbraw/zinc/27/46/47/645274647.db2.gz NHFPMGHWEYHQSR-LBPRGKRZSA-N 1 2 259.353 2.114 20 30 CEEDLO CC(N=Nc1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000761882023 645332835 /nfs/dbraw/zinc/33/28/35/645332835.db2.gz WJULSMZITNCZGZ-UHFFFAOYSA-N 1 2 280.335 2.442 20 30 CEEDLO C#CCCOC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000859041210 645333363 /nfs/dbraw/zinc/33/33/63/645333363.db2.gz ILLLBRBLPLWIOO-HNNXBMFYSA-N 1 2 297.358 2.453 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)C1CC1 ZINC000763951523 645593875 /nfs/dbraw/zinc/59/38/75/645593875.db2.gz YMKCXATWWUUEAK-UHFFFAOYSA-N 1 2 264.413 2.225 20 30 CEEDLO C#CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)C1CC1 ZINC000763951523 645593877 /nfs/dbraw/zinc/59/38/77/645593877.db2.gz YMKCXATWWUUEAK-UHFFFAOYSA-N 1 2 264.413 2.225 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000768194994 646095674 /nfs/dbraw/zinc/09/56/74/646095674.db2.gz MICLJEYTZZTFFV-UHFFFAOYSA-N 1 2 286.366 2.224 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000768194994 646095679 /nfs/dbraw/zinc/09/56/79/646095679.db2.gz MICLJEYTZZTFFV-UHFFFAOYSA-N 1 2 286.366 2.224 20 30 CEEDLO CC(C)c1[nH+]c(C=NN2CCCC2=O)c2ccccn21 ZINC000769593040 646290221 /nfs/dbraw/zinc/29/02/21/646290221.db2.gz JRAUAWUCWKGKOW-UHFFFAOYSA-N 1 2 270.336 2.414 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(OC)cc1C ZINC000769698323 646303293 /nfs/dbraw/zinc/30/32/93/646303293.db2.gz YAVFMXNXZFLKTD-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(OC)cc1C ZINC000769698323 646303298 /nfs/dbraw/zinc/30/32/98/646303298.db2.gz YAVFMXNXZFLKTD-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769902147 646331981 /nfs/dbraw/zinc/33/19/81/646331981.db2.gz XZBLHQBAERGYIJ-IUCAKERBSA-N 1 2 257.683 2.374 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769902147 646331985 /nfs/dbraw/zinc/33/19/85/646331985.db2.gz XZBLHQBAERGYIJ-IUCAKERBSA-N 1 2 257.683 2.374 20 30 CEEDLO C=CCOCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770922474 646456202 /nfs/dbraw/zinc/45/62/02/646456202.db2.gz PABMRTASKQNNMB-UHFFFAOYSA-N 1 2 274.320 2.360 20 30 CEEDLO COCCO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863099326 646634492 /nfs/dbraw/zinc/63/44/92/646634492.db2.gz GECSQLMKSZHVNN-UHFFFAOYSA-N 1 2 258.268 2.028 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000772778555 646672973 /nfs/dbraw/zinc/67/29/73/646672973.db2.gz AVHCFRJYGFZZQN-UHFFFAOYSA-N 1 2 290.326 2.478 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000775793182 646993869 /nfs/dbraw/zinc/99/38/69/646993869.db2.gz KIWGMBNNJFECJZ-KGLIPLIRSA-N 1 2 251.276 2.235 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)[C@@H]1CCCO1 ZINC000775796238 646994630 /nfs/dbraw/zinc/99/46/30/646994630.db2.gz UEQPCEATTYRODP-IRXDYDNUSA-N 1 2 299.349 2.282 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000776649359 647080372 /nfs/dbraw/zinc/08/03/72/647080372.db2.gz FFPNJXOPWDWGDU-CYBMUJFWSA-N 1 2 295.342 2.096 20 30 CEEDLO N#Cc1ccc(C(=O)OCCn2cc[nH+]c2)cc1Cl ZINC000778535593 647240387 /nfs/dbraw/zinc/24/03/87/647240387.db2.gz PIHBGBJXKYQWLT-UHFFFAOYSA-N 1 2 275.695 2.265 20 30 CEEDLO CCC[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779879025 647368362 /nfs/dbraw/zinc/36/83/62/647368362.db2.gz INIHFBWNGBQZRQ-CYBMUJFWSA-N 1 2 263.385 2.218 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cc(F)cc(OCC)c2)nn1 ZINC000865609127 647384244 /nfs/dbraw/zinc/38/42/44/647384244.db2.gz RSDPCCQYVFRDAK-UHFFFAOYSA-N 1 2 290.342 2.292 20 30 CEEDLO Cn1c(C[NH2+]Cc2ccc(C#N)cn2)nc2ccccc21 ZINC000780557094 647444535 /nfs/dbraw/zinc/44/45/35/647444535.db2.gz TZRGSSDMKXAZAL-UHFFFAOYSA-N 1 2 277.331 2.130 20 30 CEEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928161 647540192 /nfs/dbraw/zinc/54/01/92/647540192.db2.gz RTFUPOFLSRFOHA-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928161 647540194 /nfs/dbraw/zinc/54/01/94/647540194.db2.gz RTFUPOFLSRFOHA-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO NC(=[NH+]OCc1ccno1)c1ccc(Br)cc1 ZINC000782948617 647665265 /nfs/dbraw/zinc/66/52/65/647665265.db2.gz MNNOWGRSEDEOQA-UHFFFAOYSA-N 1 2 296.124 2.274 20 30 CEEDLO C[C@H]([NH2+]CCCn1cccn1)c1cccc(C#N)c1O ZINC000866225032 647679157 /nfs/dbraw/zinc/67/91/57/647679157.db2.gz MCYNQFVOCPYNBO-LBPRGKRZSA-N 1 2 270.336 2.201 20 30 CEEDLO C[C@@H]([NH2+]CCN1CCCCC1)c1cccc(C#N)c1O ZINC000866225135 647679831 /nfs/dbraw/zinc/67/98/31/647679831.db2.gz PBFYHUFNPPSGHV-CYBMUJFWSA-N 1 2 273.380 2.400 20 30 CEEDLO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc(C#N)c1O ZINC000866268384 647707542 /nfs/dbraw/zinc/70/75/42/647707542.db2.gz UPMGUISKPVYSFL-PRWKNARSSA-N 1 2 294.420 2.462 20 30 CEEDLO Cc1noc(CCC[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866293977 647720210 /nfs/dbraw/zinc/72/02/10/647720210.db2.gz AUKGMLFGPXOQBH-SNVBAGLBSA-N 1 2 286.335 2.239 20 30 CEEDLO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000866338491 647742880 /nfs/dbraw/zinc/74/28/80/647742880.db2.gz SHXLYDVOXLWSHX-NWDGAFQWSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(C#N)c1O ZINC000866362814 647755755 /nfs/dbraw/zinc/75/57/55/647755755.db2.gz DTSFZVDSNVUISE-VIFPVBQESA-N 1 2 283.335 2.110 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CCCCO)c1cccc(C#N)c1O ZINC000866363946 647756700 /nfs/dbraw/zinc/75/67/00/647756700.db2.gz OFFWBOMRXMXWLI-NWDGAFQWSA-N 1 2 262.353 2.466 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(C#N)c1O ZINC000866370582 647760916 /nfs/dbraw/zinc/76/09/16/647760916.db2.gz XTHVVXIUQPVAPU-MDZLAQPJSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@H]([NH2+]CCC1(CO)CCC1)c1cccc(C#N)c1O ZINC000866384682 647766864 /nfs/dbraw/zinc/76/68/64/647766864.db2.gz OAJPAMPLSQOTAB-LBPRGKRZSA-N 1 2 274.364 2.467 20 30 CEEDLO Cc1nnc(C)n1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783810803 647767205 /nfs/dbraw/zinc/76/72/05/647767205.db2.gz PTIUPXXEVYDNLY-UHFFFAOYSA-N 1 2 272.337 2.024 20 30 CEEDLO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(C#N)c1O ZINC000866388696 647769082 /nfs/dbraw/zinc/76/90/82/647769082.db2.gz MEQUTSVJTIRVLK-CABZTGNLSA-N 1 2 282.290 2.339 20 30 CEEDLO C#CCOc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1 ZINC000783857901 647771424 /nfs/dbraw/zinc/77/14/24/647771424.db2.gz CXGCOLREODABQC-UHFFFAOYSA-N 1 2 284.315 2.142 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(C#N)c1O ZINC000866400004 647774182 /nfs/dbraw/zinc/77/41/82/647774182.db2.gz YKJJEIKDFZXLTJ-XEGUGMAKSA-N 1 2 272.348 2.482 20 30 CEEDLO Cn1nc(Br)cc1C[NH+]1CCC(CC#N)CC1 ZINC000787272117 648093370 /nfs/dbraw/zinc/09/33/70/648093370.db2.gz RASCBFBYOJQCGI-UHFFFAOYSA-N 1 2 297.200 2.308 20 30 CEEDLO C=C(C)CN(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869106445 648351440 /nfs/dbraw/zinc/35/14/40/648351440.db2.gz NTZMEAOJSXRAQO-HNNXBMFYSA-N 1 2 273.380 2.391 20 30 CEEDLO C=C(C)CN(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869106445 648351445 /nfs/dbraw/zinc/35/14/45/648351445.db2.gz NTZMEAOJSXRAQO-HNNXBMFYSA-N 1 2 273.380 2.391 20 30 CEEDLO C=C(C)CN(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869106446 648351772 /nfs/dbraw/zinc/35/17/72/648351772.db2.gz NTZMEAOJSXRAQO-OAHLLOKOSA-N 1 2 273.380 2.391 20 30 CEEDLO C=C(C)CN(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869106446 648351784 /nfs/dbraw/zinc/35/17/84/648351784.db2.gz NTZMEAOJSXRAQO-OAHLLOKOSA-N 1 2 273.380 2.391 20 30 CEEDLO C=CCNc1ncc(C(=O)OCc2cc[nH+]c(N)c2)s1 ZINC000792039983 648602733 /nfs/dbraw/zinc/60/27/33/648602733.db2.gz NDXFLGVYXXFOKG-UHFFFAOYSA-N 1 2 290.348 2.075 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)/C=C\c1ccccc1C#N ZINC000793252349 648730946 /nfs/dbraw/zinc/73/09/46/648730946.db2.gz XPRMYGJWDNQAKC-SREVYHEPSA-N 1 2 281.315 2.091 20 30 CEEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccncc2)s1 ZINC000794691168 648904454 /nfs/dbraw/zinc/90/44/54/648904454.db2.gz MOSQADMAMOWPJH-ARJAWSKDSA-N 1 2 273.361 2.496 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872599988 649435973 /nfs/dbraw/zinc/43/59/73/649435973.db2.gz FDJPRDSURVUVQW-HNNXBMFYSA-N 1 2 262.328 2.001 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872599988 649435976 /nfs/dbraw/zinc/43/59/76/649435976.db2.gz FDJPRDSURVUVQW-HNNXBMFYSA-N 1 2 262.328 2.001 20 30 CEEDLO CCc1cc(C[NH2+]Cc2cccc(F)c2C#N)[nH]n1 ZINC000873050674 649544355 /nfs/dbraw/zinc/54/43/55/649544355.db2.gz ZZVAXFCFWVUNOC-UHFFFAOYSA-N 1 2 258.300 2.273 20 30 CEEDLO C#CC1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCCC1 ZINC000879449505 651305164 /nfs/dbraw/zinc/30/51/64/651305164.db2.gz OUOMXWXEKGTFQL-UHFFFAOYSA-N 1 2 268.320 2.402 20 30 CEEDLO C[S@@](=N)(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000879948138 651364134 /nfs/dbraw/zinc/36/41/34/651364134.db2.gz ZSOREPXGERELIU-FQEVSTJZSA-N 1 2 298.456 2.060 20 30 CEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880296556 651418437 /nfs/dbraw/zinc/41/84/37/651418437.db2.gz CYNUWERQCTYAJS-NSHDSACASA-N 1 2 295.383 2.467 20 30 CEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880296556 651418438 /nfs/dbraw/zinc/41/84/38/651418438.db2.gz CYNUWERQCTYAJS-NSHDSACASA-N 1 2 295.383 2.467 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCC[C@H](O)C(C)C)ccc1F ZINC000882959485 652289991 /nfs/dbraw/zinc/28/99/91/652289991.db2.gz HMLFBSYTOUSIAT-ZDUSSCGKSA-N 1 2 268.332 2.178 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(C(F)F)c1 ZINC000884119658 652715357 /nfs/dbraw/zinc/71/53/57/652715357.db2.gz RPISSUGGCWYLJJ-NSHDSACASA-N 1 2 298.289 2.009 20 30 CEEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2SC)CC1 ZINC001165031331 721867028 /nfs/dbraw/zinc/86/70/28/721867028.db2.gz DPNUZERSJLQTBI-UHFFFAOYSA-N 1 2 284.816 2.160 20 30 CEEDLO C=CC[NH+]1CCN(c2nc3[nH]ccc3cc2Cl)CC1 ZINC001165031850 721868323 /nfs/dbraw/zinc/86/83/23/721868323.db2.gz BOEIFJILJVDQBP-UHFFFAOYSA-N 1 2 276.771 2.476 20 30 CEEDLO C[C@@H](Cc1ccc(Cl)cc1)N1CC[NH2+]C[C@H]1C#N ZINC001168185154 806385742 /nfs/dbraw/zinc/38/57/42/806385742.db2.gz XIMDVKKCQXCIGK-SMDDNHRTSA-N 1 2 263.772 2.068 20 30 CEEDLO C=CCCC1(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001098244107 806479649 /nfs/dbraw/zinc/47/96/49/806479649.db2.gz NAELKTCVHNVPID-LBPRGKRZSA-N 1 2 288.395 2.448 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](Nc2[nH+]cccc2CC#N)C1(C)C ZINC001168334422 806661973 /nfs/dbraw/zinc/66/19/73/806661973.db2.gz RVEUOBQQTBHVSF-RYUDHWBXSA-N 1 2 273.336 2.147 20 30 CEEDLO N#Cc1nc(Cl)cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123573 802512128 /nfs/dbraw/zinc/51/21/28/802512128.db2.gz CJLBNLMAKBJVBY-UHFFFAOYSA-N 1 2 288.742 2.040 20 30 CEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccn2)CC1 ZINC001206853927 802533621 /nfs/dbraw/zinc/53/36/21/802533621.db2.gz IQEHTUWUPUJEEC-UHFFFAOYSA-N 1 2 287.363 2.059 20 30 CEEDLO C[C@@H](N[NH+]=C1CCCc2nc(N)ccc21)C(F)(F)F ZINC000834998196 802950301 /nfs/dbraw/zinc/95/03/01/802950301.db2.gz DEMMNIOBUOKXGK-SSDOTTSWSA-N 1 2 272.274 2.245 20 30 CEEDLO C=CCCC(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001093516427 814946344 /nfs/dbraw/zinc/94/63/44/814946344.db2.gz JGEGGWTZGNQXFW-UHFFFAOYSA-N 1 2 288.395 2.158 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001038344752 803666849 /nfs/dbraw/zinc/66/68/49/803666849.db2.gz KBSBHTCHXNCBGQ-WXJAXGNASA-N 1 2 293.798 2.231 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001038344752 803666854 /nfs/dbraw/zinc/66/68/54/803666854.db2.gz KBSBHTCHXNCBGQ-WXJAXGNASA-N 1 2 293.798 2.231 20 30 CEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C(=O)OCC)cs1 ZINC000395268637 803672066 /nfs/dbraw/zinc/67/20/66/803672066.db2.gz PHPHBGCSFYACDB-CYBMUJFWSA-N 1 2 266.366 2.211 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001075545216 803709396 /nfs/dbraw/zinc/70/93/96/803709396.db2.gz WVPWGWSBFYGXMJ-WCQYABFASA-N 1 2 280.755 2.178 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001075545216 803709398 /nfs/dbraw/zinc/70/93/98/803709398.db2.gz WVPWGWSBFYGXMJ-WCQYABFASA-N 1 2 280.755 2.178 20 30 CEEDLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009865323 804171415 /nfs/dbraw/zinc/17/14/15/804171415.db2.gz OSWCINTWFWPYPH-SNVBAGLBSA-N 1 2 295.383 2.058 20 30 CEEDLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009865323 804171420 /nfs/dbraw/zinc/17/14/20/804171420.db2.gz OSWCINTWFWPYPH-SNVBAGLBSA-N 1 2 295.383 2.058 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(C)n1 ZINC001028093894 804449930 /nfs/dbraw/zinc/44/99/30/804449930.db2.gz QLCOXYOCZDDGKG-NSHDSACASA-N 1 2 299.827 2.398 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(C)n1 ZINC001028093894 804449932 /nfs/dbraw/zinc/44/99/32/804449932.db2.gz QLCOXYOCZDDGKG-NSHDSACASA-N 1 2 299.827 2.398 20 30 CEEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139686862 804462308 /nfs/dbraw/zinc/46/23/08/804462308.db2.gz GMYUSFVTRHKBHT-MWLCHTKSSA-N 1 2 250.729 2.167 20 30 CEEDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139686862 804462312 /nfs/dbraw/zinc/46/23/12/804462312.db2.gz GMYUSFVTRHKBHT-MWLCHTKSSA-N 1 2 250.729 2.167 20 30 CEEDLO O=C1C=C2C[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC[C@H]2S1 ZINC001207620236 804516937 /nfs/dbraw/zinc/51/69/37/804516937.db2.gz KVXKBEDHLGFXOG-KZVDOYCCSA-N 1 2 261.390 2.473 20 30 CEEDLO O=C1C=C2C[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC[C@H]2S1 ZINC001207620236 804516942 /nfs/dbraw/zinc/51/69/42/804516942.db2.gz KVXKBEDHLGFXOG-KZVDOYCCSA-N 1 2 261.390 2.473 20 30 CEEDLO C=C(C)CCC(=O)N[C@H](C)C[N@H+](C)Cc1nocc1C ZINC001268733215 804949126 /nfs/dbraw/zinc/94/91/26/804949126.db2.gz UINNZVMQDBBAMJ-CYBMUJFWSA-N 1 2 279.384 2.276 20 30 CEEDLO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)Cc1nocc1C ZINC001268733215 804949131 /nfs/dbraw/zinc/94/91/31/804949131.db2.gz UINNZVMQDBBAMJ-CYBMUJFWSA-N 1 2 279.384 2.276 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001269061262 805036802 /nfs/dbraw/zinc/03/68/02/805036802.db2.gz ILUYBLRBGCRKLK-ZDUSSCGKSA-N 1 2 293.436 2.498 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001269061262 805036813 /nfs/dbraw/zinc/03/68/13/805036813.db2.gz ILUYBLRBGCRKLK-ZDUSSCGKSA-N 1 2 293.436 2.498 20 30 CEEDLO O=C(CC1CC1)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001269189459 805074345 /nfs/dbraw/zinc/07/43/45/805074345.db2.gz VIISHWDEAIZZSU-KRWDZBQOSA-N 1 2 282.387 2.029 20 30 CEEDLO O=C(CC1CC1)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001269189459 805074354 /nfs/dbraw/zinc/07/43/54/805074354.db2.gz VIISHWDEAIZZSU-KRWDZBQOSA-N 1 2 282.387 2.029 20 30 CEEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001269222259 805090390 /nfs/dbraw/zinc/09/03/90/805090390.db2.gz VRLSRCNWVDOZIO-KBPBESRZSA-N 1 2 288.395 2.037 20 30 CEEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001269222259 805090399 /nfs/dbraw/zinc/09/03/99/805090399.db2.gz VRLSRCNWVDOZIO-KBPBESRZSA-N 1 2 288.395 2.037 20 30 CEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001269222262 805090842 /nfs/dbraw/zinc/09/08/42/805090842.db2.gz VRLSRCNWVDOZIO-ZIAGYGMSSA-N 1 2 288.395 2.037 20 30 CEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001269222262 805090849 /nfs/dbraw/zinc/09/08/49/805090849.db2.gz VRLSRCNWVDOZIO-ZIAGYGMSSA-N 1 2 288.395 2.037 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001269350246 805137175 /nfs/dbraw/zinc/13/71/75/805137175.db2.gz HBXAQMOVYACOOF-OAHLLOKOSA-N 1 2 274.408 2.337 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001269350246 805137182 /nfs/dbraw/zinc/13/71/82/805137182.db2.gz HBXAQMOVYACOOF-OAHLLOKOSA-N 1 2 274.408 2.337 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(F)ccc3ccncc32)C1 ZINC001030344462 807148451 /nfs/dbraw/zinc/14/84/51/807148451.db2.gz LFGWCYMSRVUIIV-UHFFFAOYSA-N 1 2 299.349 2.364 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2sccc2Cl)C1 ZINC001030359692 807153945 /nfs/dbraw/zinc/15/39/45/807153945.db2.gz OURMYFCJYKZIET-UHFFFAOYSA-N 1 2 270.785 2.392 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001030410218 807173485 /nfs/dbraw/zinc/17/34/85/807173485.db2.gz CTUUSOWDJPWCLV-NSHDSACASA-N 1 2 272.339 2.188 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001030523429 807219899 /nfs/dbraw/zinc/21/98/99/807219899.db2.gz HRCFKRFUSRPLCD-UONOGXRCSA-N 1 2 276.405 2.228 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)C1 ZINC001030573585 807237400 /nfs/dbraw/zinc/23/74/00/807237400.db2.gz OCVMJPOSKOWCIL-YQVWRLOYSA-N 1 2 296.414 2.339 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001030669153 807299908 /nfs/dbraw/zinc/29/99/08/807299908.db2.gz PSCRJCPLFWARIJ-UHFFFAOYSA-N 1 2 295.386 2.154 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001030718026 807339724 /nfs/dbraw/zinc/33/97/24/807339724.db2.gz JDSSXQBYYIFCQR-ZSOGYDGISA-N 1 2 262.397 2.189 20 30 CEEDLO N#CCCCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001168427123 807354033 /nfs/dbraw/zinc/35/40/33/807354033.db2.gz HWIUWLUITZSRLJ-UHFFFAOYSA-N 1 2 260.341 2.024 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2occc2C(C)C)C1 ZINC001030833007 807412426 /nfs/dbraw/zinc/41/24/26/807412426.db2.gz MPSXOEZVWWXPEH-UHFFFAOYSA-N 1 2 262.353 2.393 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001031117971 807664337 /nfs/dbraw/zinc/66/43/37/807664337.db2.gz WEZHCHKWEYQZBJ-UHFFFAOYSA-N 1 2 294.782 2.339 20 30 CEEDLO C=C(C)CCC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106457629 807749595 /nfs/dbraw/zinc/74/95/95/807749595.db2.gz UBVKFNYTLCJMDQ-GFCCVEGCSA-N 1 2 276.384 2.448 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2ccoc2Br)C1 ZINC001031205443 807762445 /nfs/dbraw/zinc/76/24/45/807762445.db2.gz IQTNKFQHAXCDFE-UHFFFAOYSA-N 1 2 299.168 2.032 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001031422149 807953880 /nfs/dbraw/zinc/95/38/80/807953880.db2.gz BDVFPQOAKMXXMR-MRXNPFEDSA-N 1 2 262.397 2.499 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001031450756 807960767 /nfs/dbraw/zinc/96/07/67/807960767.db2.gz HYRBSTTYWYTBRQ-STQMWFEESA-N 1 2 264.413 2.435 20 30 CEEDLO C#CCN(C(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC001119828209 815162650 /nfs/dbraw/zinc/16/26/50/815162650.db2.gz MPGVACVICDKHSG-UHFFFAOYSA-N 1 2 256.309 2.210 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001031489781 807974593 /nfs/dbraw/zinc/97/45/93/807974593.db2.gz QWRWMFZCXZFMHC-UHFFFAOYSA-N 1 2 264.413 2.435 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)C(=O)OCC ZINC001119959723 815177111 /nfs/dbraw/zinc/17/71/11/815177111.db2.gz VDVYEZTXTGKQNC-RWMBFGLXSA-N 1 2 267.369 2.041 20 30 CEEDLO C#CCCCCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107163603 808399719 /nfs/dbraw/zinc/39/97/19/808399719.db2.gz UOKVIYMHDVTVQB-FPLPWBNLSA-N 1 2 286.379 2.063 20 30 CEEDLO C=CC(C)(C)CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107361592 808426683 /nfs/dbraw/zinc/42/66/83/808426683.db2.gz MWENKDROYVGECS-SREVYHEPSA-N 1 2 288.395 2.472 20 30 CEEDLO C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032345362 808500038 /nfs/dbraw/zinc/50/00/38/808500038.db2.gz XVEBJNCPMQFEMI-WOLLLPJESA-N 1 2 294.398 2.289 20 30 CEEDLO C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032345362 808500042 /nfs/dbraw/zinc/50/00/42/808500042.db2.gz XVEBJNCPMQFEMI-WOLLLPJESA-N 1 2 294.398 2.289 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC2CCCC2)C1 ZINC001107708392 808509207 /nfs/dbraw/zinc/50/92/07/808509207.db2.gz YHSRKTYJGAIRRS-QGZVFWFLSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC2CCCC2)C1 ZINC001107708392 808509216 /nfs/dbraw/zinc/50/92/16/808509216.db2.gz YHSRKTYJGAIRRS-QGZVFWFLSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cscc2C)C1 ZINC001107850071 808545668 /nfs/dbraw/zinc/54/56/68/808545668.db2.gz APGXTOSUQYHXSV-OAHLLOKOSA-N 1 2 294.420 2.063 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cscc2C)C1 ZINC001107850071 808545672 /nfs/dbraw/zinc/54/56/72/808545672.db2.gz APGXTOSUQYHXSV-OAHLLOKOSA-N 1 2 294.420 2.063 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C(C)C)oc1C ZINC001032402390 808578802 /nfs/dbraw/zinc/57/88/02/808578802.db2.gz XQEUUCWZWOJUMO-STQMWFEESA-N 1 2 289.379 2.191 20 30 CEEDLO 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WNTVLFYPRCZQCW-GJZGRUSLSA-N 1 2 293.370 2.008 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)cc1C ZINC001032547411 808692047 /nfs/dbraw/zinc/69/20/47/808692047.db2.gz AUFWIIGCIVMIJF-ROUUACIJSA-N 1 2 296.414 2.154 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)cc1C ZINC001032547411 808692051 /nfs/dbraw/zinc/69/20/51/808692051.db2.gz AUFWIIGCIVMIJF-ROUUACIJSA-N 1 2 296.414 2.154 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001038528534 808754526 /nfs/dbraw/zinc/75/45/26/808754526.db2.gz ROWNJDBPELYJSN-AWEZNQCLSA-N 1 2 298.386 2.472 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001038528534 808754531 /nfs/dbraw/zinc/75/45/31/808754531.db2.gz ROWNJDBPELYJSN-AWEZNQCLSA-N 1 2 298.386 2.472 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccncc1 ZINC001116078650 808757176 /nfs/dbraw/zinc/75/71/76/808757176.db2.gz PSMLNGONKZAERW-GXTWGEPZSA-N 1 2 270.336 2.273 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)Cc1ccccc1 ZINC001032659120 808779523 /nfs/dbraw/zinc/77/95/23/808779523.db2.gz SDHVPBHLSMAVHC-BZSNNMDCSA-N 1 2 296.414 2.174 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)Cc1ccccc1 ZINC001032659120 808779527 /nfs/dbraw/zinc/77/95/27/808779527.db2.gz SDHVPBHLSMAVHC-BZSNNMDCSA-N 1 2 296.414 2.174 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCc2ccccc21 ZINC001032691192 808787682 /nfs/dbraw/zinc/78/76/82/808787682.db2.gz OCTFDHGZMKEZCC-ULQDDVLXSA-N 1 2 294.398 2.025 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCc2ccccc21 ZINC001032691192 808787688 /nfs/dbraw/zinc/78/76/88/808787688.db2.gz OCTFDHGZMKEZCC-ULQDDVLXSA-N 1 2 294.398 2.025 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC=C2 ZINC001032735319 808816595 /nfs/dbraw/zinc/81/65/95/808816595.db2.gz YHSHPAXDHJOZOC-ROUUACIJSA-N 1 2 292.382 2.178 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC=C2 ZINC001032735319 808816597 /nfs/dbraw/zinc/81/65/97/808816597.db2.gz YHSHPAXDHJOZOC-ROUUACIJSA-N 1 2 292.382 2.178 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001032745361 808823985 /nfs/dbraw/zinc/82/39/85/808823985.db2.gz QUVRATIUFSETIV-GJZGRUSLSA-N 1 2 288.778 2.262 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001032745361 808823989 /nfs/dbraw/zinc/82/39/89/808823989.db2.gz QUVRATIUFSETIV-GJZGRUSLSA-N 1 2 288.778 2.262 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032763001 808845900 /nfs/dbraw/zinc/84/59/00/808845900.db2.gz IQXYXWGOOMCNJZ-HOTGVXAUSA-N 1 2 282.387 2.225 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032763001 808845906 /nfs/dbraw/zinc/84/59/06/808845906.db2.gz IQXYXWGOOMCNJZ-HOTGVXAUSA-N 1 2 282.387 2.225 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001032811794 808922011 /nfs/dbraw/zinc/92/20/11/808922011.db2.gz NLODIWUUIJGWJU-CKUJCDMFSA-N 1 2 288.435 2.367 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001032811794 808922019 /nfs/dbraw/zinc/92/20/19/808922019.db2.gz NLODIWUUIJGWJU-CKUJCDMFSA-N 1 2 288.435 2.367 20 30 CEEDLO C=CC(C)(C)CC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001128245670 809000658 /nfs/dbraw/zinc/00/06/58/809000658.db2.gz FTOSIJWSVBVYOW-LBPRGKRZSA-N 1 2 279.384 2.352 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nc2)C1 ZINC001032905585 809113076 /nfs/dbraw/zinc/11/30/76/809113076.db2.gz KPCNKYPLDPNIPU-CQSZACIVSA-N 1 2 293.798 2.289 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nc2)C1 ZINC001032905585 809113080 /nfs/dbraw/zinc/11/30/80/809113080.db2.gz KPCNKYPLDPNIPU-CQSZACIVSA-N 1 2 293.798 2.289 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cncc(C)c2)C1 ZINC001032973743 809132070 /nfs/dbraw/zinc/13/20/70/809132070.db2.gz TWRGHCNNQVPCAG-CQSZACIVSA-N 1 2 293.798 2.289 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc(C)c2)C1 ZINC001032973743 809132075 /nfs/dbraw/zinc/13/20/75/809132075.db2.gz TWRGHCNNQVPCAG-CQSZACIVSA-N 1 2 293.798 2.289 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001033027775 809151354 /nfs/dbraw/zinc/15/13/54/809151354.db2.gz OIRDJOGPEPSAGT-GFCCVEGCSA-N 1 2 297.761 2.120 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001033027775 809151356 /nfs/dbraw/zinc/15/13/56/809151356.db2.gz OIRDJOGPEPSAGT-GFCCVEGCSA-N 1 2 297.761 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001033043699 809156906 /nfs/dbraw/zinc/15/69/06/809156906.db2.gz PETROLBWIGNFBR-VWYCJHECSA-N 1 2 292.757 2.173 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001033043699 809156908 /nfs/dbraw/zinc/15/69/08/809156908.db2.gz PETROLBWIGNFBR-VWYCJHECSA-N 1 2 292.757 2.173 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](O)C2)c1F ZINC001143164507 809210074 /nfs/dbraw/zinc/21/00/74/809210074.db2.gz KIAMCPIMSJCXHD-LLVKDONJSA-N 1 2 266.291 2.183 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](O)C2)c1F ZINC001143164507 809210076 /nfs/dbraw/zinc/21/00/76/809210076.db2.gz KIAMCPIMSJCXHD-LLVKDONJSA-N 1 2 266.291 2.183 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(C)c2)C1 ZINC001033522171 809332358 /nfs/dbraw/zinc/33/23/58/809332358.db2.gz NUIZJYQXARRFBF-AWEZNQCLSA-N 1 2 293.798 2.289 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(C)c2)C1 ZINC001033522171 809332366 /nfs/dbraw/zinc/33/23/66/809332366.db2.gz NUIZJYQXARRFBF-AWEZNQCLSA-N 1 2 293.798 2.289 20 30 CEEDLO COCC[N@@H+](CCC#N)CCOC1CCCCC1 ZINC000701400778 809432545 /nfs/dbraw/zinc/43/25/45/809432545.db2.gz ZKACPHILMMIKFU-UHFFFAOYSA-N 1 2 254.374 2.198 20 30 CEEDLO COCC[N@H+](CCC#N)CCOC1CCCCC1 ZINC000701400778 809432549 /nfs/dbraw/zinc/43/25/49/809432549.db2.gz ZKACPHILMMIKFU-UHFFFAOYSA-N 1 2 254.374 2.198 20 30 CEEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034050554 809488305 /nfs/dbraw/zinc/48/83/05/809488305.db2.gz CDSMLHBBTQYWMY-LLVKDONJSA-N 1 2 280.368 2.057 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034050554 809488308 /nfs/dbraw/zinc/48/83/08/809488308.db2.gz CDSMLHBBTQYWMY-LLVKDONJSA-N 1 2 280.368 2.057 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)on2)C1 ZINC001034092915 809509370 /nfs/dbraw/zinc/50/93/70/809509370.db2.gz VOYRPCJJSDLTOV-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)on2)C1 ZINC001034092915 809509376 /nfs/dbraw/zinc/50/93/76/809509376.db2.gz VOYRPCJJSDLTOV-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nocc2C)C1 ZINC001034476950 809614463 /nfs/dbraw/zinc/61/44/63/809614463.db2.gz LIZFRLBUBDTDBR-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nocc2C)C1 ZINC001034476950 809614466 /nfs/dbraw/zinc/61/44/66/809614466.db2.gz LIZFRLBUBDTDBR-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001108139145 809659343 /nfs/dbraw/zinc/65/93/43/809659343.db2.gz ZGWUGWIQKLJSOE-PBHICJAKSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001108139145 809659345 /nfs/dbraw/zinc/65/93/45/809659345.db2.gz ZGWUGWIQKLJSOE-PBHICJAKSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001035274542 809774657 /nfs/dbraw/zinc/77/46/57/809774657.db2.gz OWVOFHNQUVAYBX-ZDUSSCGKSA-N 1 2 294.420 2.063 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001035274542 809774660 /nfs/dbraw/zinc/77/46/60/809774660.db2.gz OWVOFHNQUVAYBX-ZDUSSCGKSA-N 1 2 294.420 2.063 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001035281638 809775192 /nfs/dbraw/zinc/77/51/92/809775192.db2.gz GHGXTFMUXCKTQA-INIZCTEOSA-N 1 2 288.391 2.002 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001035281638 809775194 /nfs/dbraw/zinc/77/51/94/809775194.db2.gz GHGXTFMUXCKTQA-INIZCTEOSA-N 1 2 288.391 2.002 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001035478559 809784476 /nfs/dbraw/zinc/78/44/76/809784476.db2.gz KVGQXLUPNYEIDH-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001035478559 809784480 /nfs/dbraw/zinc/78/44/80/809784480.db2.gz KVGQXLUPNYEIDH-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001035619407 809791780 /nfs/dbraw/zinc/79/17/80/809791780.db2.gz MAYCMUIZRKMRHY-GJZGRUSLSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001035619407 809791784 /nfs/dbraw/zinc/79/17/84/809791784.db2.gz MAYCMUIZRKMRHY-GJZGRUSLSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108172233 810069315 /nfs/dbraw/zinc/06/93/15/810069315.db2.gz AZIXWWLZNPTFHM-INIZCTEOSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CCC)C1 ZINC001108172233 810069318 /nfs/dbraw/zinc/06/93/18/810069318.db2.gz AZIXWWLZNPTFHM-INIZCTEOSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)C1CCC1 ZINC001121519414 815340486 /nfs/dbraw/zinc/34/04/86/815340486.db2.gz OPZTZOYOCFGPPV-UHFFFAOYSA-N 1 2 289.427 2.439 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001079509605 810214412 /nfs/dbraw/zinc/21/44/12/810214412.db2.gz QNRIGWGFZKKQDV-MWLCHTKSSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncoc2CC)C1 ZINC001079509605 810214414 /nfs/dbraw/zinc/21/44/14/810214414.db2.gz QNRIGWGFZKKQDV-MWLCHTKSSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001015341895 810280304 /nfs/dbraw/zinc/28/03/04/810280304.db2.gz NMEGETOSJJWWCA-YRGRVCCFSA-N 1 2 268.788 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001015341895 810280308 /nfs/dbraw/zinc/28/03/08/810280308.db2.gz NMEGETOSJJWWCA-YRGRVCCFSA-N 1 2 268.788 2.120 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC001017310390 810510403 /nfs/dbraw/zinc/51/04/03/810510403.db2.gz YQBWSAIXVPHEEC-OKILXGFUSA-N 1 2 286.350 2.138 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC001017310390 810510408 /nfs/dbraw/zinc/51/04/08/810510408.db2.gz YQBWSAIXVPHEEC-OKILXGFUSA-N 1 2 286.350 2.138 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occ2c1CCC2 ZINC001017771053 810550694 /nfs/dbraw/zinc/55/06/94/810550694.db2.gz CAUDLQXSKCVRME-GASCZTMLSA-N 1 2 298.386 2.080 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occ2c1CCC2 ZINC001017771053 810550699 /nfs/dbraw/zinc/55/06/99/810550699.db2.gz CAUDLQXSKCVRME-GASCZTMLSA-N 1 2 298.386 2.080 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occ2c1CCC2 ZINC001017769411 810551038 /nfs/dbraw/zinc/55/10/38/810551038.db2.gz QEQPAQDZVVIDKJ-OKILXGFUSA-N 1 2 286.375 2.243 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occ2c1CCC2 ZINC001017769411 810551043 /nfs/dbraw/zinc/55/10/43/810551043.db2.gz QEQPAQDZVVIDKJ-OKILXGFUSA-N 1 2 286.375 2.243 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001017812305 810554216 /nfs/dbraw/zinc/55/42/16/810554216.db2.gz WRXYOXCXTGFACK-BETUJISGSA-N 1 2 260.337 2.063 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001017812305 810554221 /nfs/dbraw/zinc/55/42/21/810554221.db2.gz WRXYOXCXTGFACK-BETUJISGSA-N 1 2 260.337 2.063 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)c1ccccc1 ZINC001018006229 810580826 /nfs/dbraw/zinc/58/08/26/810580826.db2.gz ZNVZMXNVFIGTPZ-OWCLPIDISA-N 1 2 286.350 2.006 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)c1ccccc1 ZINC001018006229 810580830 /nfs/dbraw/zinc/58/08/30/810580830.db2.gz ZNVZMXNVFIGTPZ-OWCLPIDISA-N 1 2 286.350 2.006 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC ZINC001172298833 815388194 /nfs/dbraw/zinc/38/81/94/815388194.db2.gz HSVPYLJGCDLGLJ-SWLSCSKDSA-N 1 2 272.348 2.197 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(Cl)cc1F ZINC001038643121 810761767 /nfs/dbraw/zinc/76/17/67/810761767.db2.gz XUNDHBPKFXYUGL-VIFPVBQESA-N 1 2 298.720 2.056 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(Cl)cc1F ZINC001038643121 810761774 /nfs/dbraw/zinc/76/17/74/810761774.db2.gz XUNDHBPKFXYUGL-VIFPVBQESA-N 1 2 298.720 2.056 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001085460531 810770380 /nfs/dbraw/zinc/77/03/80/810770380.db2.gz KCZZGMGGTOSSFX-CYBMUJFWSA-N 1 2 276.405 2.226 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001085460531 810770386 /nfs/dbraw/zinc/77/03/86/810770386.db2.gz KCZZGMGGTOSSFX-CYBMUJFWSA-N 1 2 276.405 2.226 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001038280503 810818335 /nfs/dbraw/zinc/81/83/35/810818335.db2.gz MFXXWLYIGXQDCN-LBPRGKRZSA-N 1 2 299.399 2.124 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001038280503 810818342 /nfs/dbraw/zinc/81/83/42/810818342.db2.gz MFXXWLYIGXQDCN-LBPRGKRZSA-N 1 2 299.399 2.124 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038575579 810868364 /nfs/dbraw/zinc/86/83/64/810868364.db2.gz NFYGHZNDLKVLTN-LBPRGKRZSA-N 1 2 287.388 2.057 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038575579 810868368 /nfs/dbraw/zinc/86/83/68/810868368.db2.gz NFYGHZNDLKVLTN-LBPRGKRZSA-N 1 2 287.388 2.057 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001038769783 810911702 /nfs/dbraw/zinc/91/17/02/810911702.db2.gz OIMMRBCZODIGDT-JTQLQIEISA-N 1 2 270.785 2.392 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001038769783 810911706 /nfs/dbraw/zinc/91/17/06/810911706.db2.gz OIMMRBCZODIGDT-JTQLQIEISA-N 1 2 270.785 2.392 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(Cl)cs1 ZINC001085783369 810913266 /nfs/dbraw/zinc/91/32/66/810913266.db2.gz UDUAYOUWRNDHSE-VIFPVBQESA-N 1 2 285.800 2.129 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(Cl)cs1 ZINC001085783369 810913272 /nfs/dbraw/zinc/91/32/72/810913272.db2.gz UDUAYOUWRNDHSE-VIFPVBQESA-N 1 2 285.800 2.129 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1scnc1C(C)(C)C ZINC001038794588 810917844 /nfs/dbraw/zinc/91/78/44/810917844.db2.gz VOVDNQWOJSHNEA-LLVKDONJSA-N 1 2 293.436 2.431 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1C(C)(C)C ZINC001038794588 810917845 /nfs/dbraw/zinc/91/78/45/810917845.db2.gz VOVDNQWOJSHNEA-LLVKDONJSA-N 1 2 293.436 2.431 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001038793732 810918579 /nfs/dbraw/zinc/91/85/79/810918579.db2.gz QRNQCYFHOIYIQQ-NEPJUHHUSA-N 1 2 277.368 2.178 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([C@H](C)CC)no1 ZINC001038793732 810918582 /nfs/dbraw/zinc/91/85/82/810918582.db2.gz QRNQCYFHOIYIQQ-NEPJUHHUSA-N 1 2 277.368 2.178 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)o1 ZINC001038950748 810953603 /nfs/dbraw/zinc/95/36/03/810953603.db2.gz WBPLQKNMWVZAQJ-VIFPVBQESA-N 1 2 299.168 2.032 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Br)o1 ZINC001038950748 810953596 /nfs/dbraw/zinc/95/35/96/810953596.db2.gz WBPLQKNMWVZAQJ-VIFPVBQESA-N 1 2 299.168 2.032 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1C ZINC001085880841 810955172 /nfs/dbraw/zinc/95/51/72/810955172.db2.gz OUCJPXOSRIVYHO-CQSZACIVSA-N 1 2 290.794 2.428 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1C ZINC001085880841 810955178 /nfs/dbraw/zinc/95/51/78/810955178.db2.gz OUCJPXOSRIVYHO-CQSZACIVSA-N 1 2 290.794 2.428 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001038951191 810956984 /nfs/dbraw/zinc/95/69/84/810956984.db2.gz DPECOVKCHIQTTN-NSHDSACASA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001038951191 810956989 /nfs/dbraw/zinc/95/69/89/810956989.db2.gz DPECOVKCHIQTTN-NSHDSACASA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncsc1C(C)C ZINC001085920221 810968898 /nfs/dbraw/zinc/96/88/98/810968898.db2.gz WGVDHRXEEUPLPH-GFCCVEGCSA-N 1 2 291.420 2.046 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncsc1C(C)C ZINC001085920221 810968903 /nfs/dbraw/zinc/96/89/03/810968903.db2.gz WGVDHRXEEUPLPH-GFCCVEGCSA-N 1 2 291.420 2.046 20 30 CEEDLO CSc1nc(C)c(C#N)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242072182 811201300 /nfs/dbraw/zinc/20/13/00/811201300.db2.gz DUPPBQJBZBGYCJ-UHFFFAOYSA-N 1 2 271.349 2.331 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001108354020 811240378 /nfs/dbraw/zinc/24/03/78/811240378.db2.gz VVHQQNBBXKQITR-ZOBUZTSGSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001108354020 811240384 /nfs/dbraw/zinc/24/03/84/811240384.db2.gz VVHQQNBBXKQITR-ZOBUZTSGSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)c2cccnc2)C1 ZINC001043180969 811357157 /nfs/dbraw/zinc/35/71/57/811357157.db2.gz UCQFJZLTDWEPMG-UHFFFAOYSA-N 1 2 287.407 2.078 20 30 CEEDLO C=CCC[NH+]1CC(N(C)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001043216662 811359052 /nfs/dbraw/zinc/35/90/52/811359052.db2.gz NRWZVYLGWJRMGS-UHFFFAOYSA-N 1 2 298.390 2.204 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn3ccccc23)C1 ZINC001043307936 811364342 /nfs/dbraw/zinc/36/43/42/811364342.db2.gz DVSYXCBVEUTOMP-UHFFFAOYSA-N 1 2 283.375 2.272 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc3cnccc3c2)C1 ZINC001043327939 811367185 /nfs/dbraw/zinc/36/71/85/811367185.db2.gz NUHZTAWKFVIXRA-UHFFFAOYSA-N 1 2 295.386 2.106 20 30 CEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001043431323 811373262 /nfs/dbraw/zinc/37/32/62/811373262.db2.gz KIQJVHCLMMZYIA-DGCLKSJQSA-N 1 2 288.395 2.256 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001043579852 811387590 /nfs/dbraw/zinc/38/75/90/811387590.db2.gz SIXYLYWXLPMAAB-CYBMUJFWSA-N 1 2 250.386 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001043599798 811389763 /nfs/dbraw/zinc/38/97/63/811389763.db2.gz SJLRAWKOQPYGNC-INIZCTEOSA-N 1 2 299.418 2.220 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001043842710 811411448 /nfs/dbraw/zinc/41/14/48/811411448.db2.gz HRIQQLQVOSMUEA-GFCCVEGCSA-N 1 2 262.353 2.102 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001043854135 811412382 /nfs/dbraw/zinc/41/23/82/811412382.db2.gz WQWQMBUSOOYGIC-LBPRGKRZSA-N 1 2 276.405 2.018 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001044178993 811450401 /nfs/dbraw/zinc/45/04/01/811450401.db2.gz UNTLHPAMUIHKOO-UHFFFAOYSA-N 1 2 283.375 2.190 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccsc2C(F)F)C1 ZINC001044240742 811458647 /nfs/dbraw/zinc/45/86/47/811458647.db2.gz QSZYTXVOTLOQNA-UHFFFAOYSA-N 1 2 298.358 2.465 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001044363942 811476940 /nfs/dbraw/zinc/47/69/40/811476940.db2.gz ZKYVSHLDOMIIGF-UHFFFAOYSA-N 1 2 287.407 2.085 20 30 CEEDLO N#CC12CCC([NH2+]c3c[nH]c4c[nH]c(=O)c-4c3)(CC1)CC2 ZINC001169749917 811646599 /nfs/dbraw/zinc/64/65/99/811646599.db2.gz JJBUXNVQCIKATI-UHFFFAOYSA-N 1 2 282.347 2.353 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2O)C1 ZINC001046147204 811695502 /nfs/dbraw/zinc/69/55/02/811695502.db2.gz MFNZRHKQAVYNRC-OAHLLOKOSA-N 1 2 294.782 2.339 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2O)C1 ZINC001046147204 811695505 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C=C[C@@H](C(=O)NCc1coc(C[NH+](C)C)n1)c1ccccc1 ZINC001123970694 815580520 /nfs/dbraw/zinc/58/05/20/815580520.db2.gz UQVJRBCYHRQUEW-OAHLLOKOSA-N 1 2 299.374 2.322 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccn2C)CC[C@@H]1C ZINC001071355953 813375418 /nfs/dbraw/zinc/37/54/18/813375418.db2.gz DJPLOBAIUQLFJJ-QWHCGFSZSA-N 1 2 295.814 2.360 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccn2C)CC[C@@H]1C ZINC001071355953 813375426 /nfs/dbraw/zinc/37/54/26/813375426.db2.gz DJPLOBAIUQLFJJ-QWHCGFSZSA-N 1 2 295.814 2.360 20 30 CEEDLO C=C/C=C\CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001135336449 813411118 /nfs/dbraw/zinc/41/11/18/813411118.db2.gz YDVOHGLFUGUWPT-ARJAWSKDSA-N 1 2 295.386 2.335 20 30 CEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)CC[C@@H]1C ZINC001071769552 813479159 /nfs/dbraw/zinc/47/91/59/813479159.db2.gz SZGZAWAQUTWVFB-UWVGGRQHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)CC[C@@H]1C ZINC001071769552 813479165 /nfs/dbraw/zinc/47/91/65/813479165.db2.gz 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/nfs/dbraw/zinc/77/88/87/813778887.db2.gz NJFSURYTXKPBKD-MRXNPFEDSA-N 1 2 282.347 2.325 20 30 CEEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC001136871777 813781573 /nfs/dbraw/zinc/78/15/73/813781573.db2.gz HZPWBGRSLNUAEQ-OAHLLOKOSA-N 1 2 282.347 2.325 20 30 CEEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC001136871777 813781577 /nfs/dbraw/zinc/78/15/77/813781577.db2.gz HZPWBGRSLNUAEQ-OAHLLOKOSA-N 1 2 282.347 2.325 20 30 CEEDLO Cc1ccn2c(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)cnc2c1 ZINC001136886736 813788348 /nfs/dbraw/zinc/78/83/48/813788348.db2.gz VXAVBZUZNUACSY-CQSZACIVSA-N 1 2 299.399 2.417 20 30 CEEDLO Cc1ccn2c(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)cnc2c1 ZINC001136886736 813788351 /nfs/dbraw/zinc/78/83/51/813788351.db2.gz VXAVBZUZNUACSY-CQSZACIVSA-N 1 2 299.399 2.417 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143627779 813858566 /nfs/dbraw/zinc/85/85/66/813858566.db2.gz VDDBKVSQFRDYGU-UHFFFAOYSA-N 1 2 284.737 2.369 20 30 CEEDLO C=C(C)CCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099550592 814012005 /nfs/dbraw/zinc/01/20/05/814012005.db2.gz UTVQJQKTSURHLD-GFCCVEGCSA-N 1 2 276.384 2.448 20 30 CEEDLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C1CC1 ZINC001171181712 814065463 /nfs/dbraw/zinc/06/54/63/814065463.db2.gz OCAZCZMCQURQHN-XHDPSFHLSA-N 1 2 272.348 2.030 20 30 CEEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001144854585 814199680 /nfs/dbraw/zinc/19/96/80/814199680.db2.gz PCBJVKMJHIPLBT-SNVBAGLBSA-N 1 2 294.318 2.139 20 30 CEEDLO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001103011493 814457705 /nfs/dbraw/zinc/45/77/05/814457705.db2.gz GNTMNJDSNOISJQ-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001103011493 814457709 /nfs/dbraw/zinc/45/77/09/814457709.db2.gz GNTMNJDSNOISJQ-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001103011493 814457712 /nfs/dbraw/zinc/45/77/12/814457712.db2.gz GNTMNJDSNOISJQ-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001103011493 814457713 /nfs/dbraw/zinc/45/77/13/814457713.db2.gz GNTMNJDSNOISJQ-MXWKQRLJSA-N 1 2 296.308 2.147 20 30 CEEDLO C=C(C)CCC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104097651 814567130 /nfs/dbraw/zinc/56/71/30/814567130.db2.gz FPEFONXKGTYZPJ-LBPRGKRZSA-N 1 2 276.384 2.306 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1OC ZINC001138347067 815771805 /nfs/dbraw/zinc/77/18/05/815771805.db2.gz SFRQHOHIOVYXGC-UONOGXRCSA-N 1 2 289.375 2.316 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1OC ZINC001138347067 815771807 /nfs/dbraw/zinc/77/18/07/815771807.db2.gz SFRQHOHIOVYXGC-UONOGXRCSA-N 1 2 289.375 2.316 20 30 CEEDLO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C#N)C1 ZINC001173639001 815775623 /nfs/dbraw/zinc/77/56/23/815775623.db2.gz GMKDBKKJBIIHLW-XQQFMLRXSA-N 1 2 250.342 2.096 20 30 CEEDLO CCOC(=O)C[C@H]1CC[C@@H]([N@H+]2CCC[C@H]2C#N)C1 ZINC001173639001 815775627 /nfs/dbraw/zinc/77/56/27/815775627.db2.gz GMKDBKKJBIIHLW-XQQFMLRXSA-N 1 2 250.342 2.096 20 30 CEEDLO CSc1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)cn1 ZINC001138706023 815874349 /nfs/dbraw/zinc/87/43/49/815874349.db2.gz KOLWVTJLOSWXSV-LLVKDONJSA-N 1 2 262.382 2.324 20 30 CEEDLO CSc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC001138706023 815874359 /nfs/dbraw/zinc/87/43/59/815874359.db2.gz KOLWVTJLOSWXSV-LLVKDONJSA-N 1 2 262.382 2.324 20 30 CEEDLO C#Cc1cc(Nc2ccc(OC)c(OC)c2OC)cc[nH+]1 ZINC001174894856 816105981 /nfs/dbraw/zinc/10/59/81/816105981.db2.gz LOCAPXLUKJISQS-UHFFFAOYSA-N 1 2 284.315 2.254 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc3cccnc3c2)C1 ZINC001139746587 816106140 /nfs/dbraw/zinc/10/61/40/816106140.db2.gz WAWBIVUXOAUENV-OAHLLOKOSA-N 1 2 252.321 2.365 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc3cccnc3c2)C1 ZINC001139746587 816106145 /nfs/dbraw/zinc/10/61/45/816106145.db2.gz WAWBIVUXOAUENV-OAHLLOKOSA-N 1 2 252.321 2.365 20 30 CEEDLO Cn1c2ccccc2c(C[N@@H+]2CCC[C@H](C#N)C2)cc1=O ZINC001139757649 816109438 /nfs/dbraw/zinc/10/94/38/816109438.db2.gz AXNOSUXWMFCXKW-CYBMUJFWSA-N 1 2 281.359 2.274 20 30 CEEDLO Cn1c2ccccc2c(C[N@H+]2CCC[C@H](C#N)C2)cc1=O ZINC001139757649 816109445 /nfs/dbraw/zinc/10/94/45/816109445.db2.gz AXNOSUXWMFCXKW-CYBMUJFWSA-N 1 2 281.359 2.274 20 30 CEEDLO C=CC[NH+]1CCN(Cc2[nH]nc3ccc(C)cc32)CC1 ZINC001140330817 816234039 /nfs/dbraw/zinc/23/40/39/816234039.db2.gz LOAAQCWYUQYYCM-UHFFFAOYSA-N 1 2 270.380 2.175 20 30 CEEDLO CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001140619230 816304407 /nfs/dbraw/zinc/30/44/07/816304407.db2.gz QMZGBSSYEPZYQK-CQSZACIVSA-N 1 2 271.364 2.170 20 30 CEEDLO CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001140619230 816304412 /nfs/dbraw/zinc/30/44/12/816304412.db2.gz QMZGBSSYEPZYQK-CQSZACIVSA-N 1 2 271.364 2.170 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCCOCC2)c1Cl ZINC001140806051 816365598 /nfs/dbraw/zinc/36/55/98/816365598.db2.gz AKDGOKLKNGCGGY-UHFFFAOYSA-N 1 2 250.729 2.434 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCCOCC2)c1Cl ZINC001140806051 816365607 /nfs/dbraw/zinc/36/56/07/816365607.db2.gz AKDGOKLKNGCGGY-UHFFFAOYSA-N 1 2 250.729 2.434 20 30 CEEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncco1)C2 ZINC001141008626 816441444 /nfs/dbraw/zinc/44/14/44/816441444.db2.gz GKCDJEJANOWNTG-UKRRQHHQSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncco1)C2 ZINC001141008626 816441447 /nfs/dbraw/zinc/44/14/47/816441447.db2.gz GKCDJEJANOWNTG-UKRRQHHQSA-N 1 2 278.352 2.001 20 30 CEEDLO N#Cc1cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)ccc1F ZINC001176614414 816445896 /nfs/dbraw/zinc/44/58/96/816445896.db2.gz GEYWHSDGMYYMBM-AWEZNQCLSA-N 1 2 298.321 2.407 20 30 CEEDLO CCCCc1[nH]c(CN2C[C@@H](F)C[C@H]2C#N)c[nH+]1 ZINC001141074052 816468769 /nfs/dbraw/zinc/46/87/69/816468769.db2.gz VFKVSSLULVJMBQ-JQWIXIFHSA-N 1 2 250.321 2.188 20 30 CEEDLO CCCCc1[nH]cc(CN2C[C@@H](F)C[C@H]2C#N)[nH+]1 ZINC001141074052 816468772 /nfs/dbraw/zinc/46/87/72/816468772.db2.gz VFKVSSLULVJMBQ-JQWIXIFHSA-N 1 2 250.321 2.188 20 30 CEEDLO N#C[C@H]1CCCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC001176965281 816501111 /nfs/dbraw/zinc/50/11/11/816501111.db2.gz OIPZCRAGSFJSKR-CABCVRRESA-N 1 2 298.390 2.060 20 30 CEEDLO CSc1nc(C[N@@H+]2CCC[C@H](C(C)=O)C2)ccc1C#N ZINC001141941743 816601106 /nfs/dbraw/zinc/60/11/06/816601106.db2.gz WAOPZPVSSIUTLH-ZDUSSCGKSA-N 1 2 289.404 2.476 20 30 CEEDLO CSc1nc(C[N@H+]2CCC[C@H](C(C)=O)C2)ccc1C#N ZINC001141941743 816601110 /nfs/dbraw/zinc/60/11/10/816601110.db2.gz WAOPZPVSSIUTLH-ZDUSSCGKSA-N 1 2 289.404 2.476 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1F ZINC001177927374 816649642 /nfs/dbraw/zinc/64/96/42/816649642.db2.gz WUKAVXLJZANPKX-SNVBAGLBSA-N 1 2 257.268 2.203 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC3(COC3)C2)c1F ZINC001143164140 816795464 /nfs/dbraw/zinc/79/54/64/816795464.db2.gz AUKLDFMSBLUIJJ-UHFFFAOYSA-N 1 2 264.275 2.059 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC3(COC3)C2)c1F ZINC001143164140 816795468 /nfs/dbraw/zinc/79/54/68/816795468.db2.gz AUKLDFMSBLUIJJ-UHFFFAOYSA-N 1 2 264.275 2.059 20 30 CEEDLO C=CCCC(C)(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000620857974 349445714 /nfs/dbraw/zinc/44/57/14/349445714.db2.gz QMLZRTZMGNUYMV-LBPRGKRZSA-N 1 2 261.369 2.307 20 30 CEEDLO CC(C)(C)[C@@H](C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601285560 346812854 /nfs/dbraw/zinc/81/28/54/346812854.db2.gz WFDMWEKFXDAVIS-OAHLLOKOSA-N 1 2 296.374 2.469 20 30 CEEDLO C[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000601314703 346817440 /nfs/dbraw/zinc/81/74/40/346817440.db2.gz NYLYGJJGSSFNRT-ZIAGYGMSSA-N 1 2 298.390 2.377 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000336259195 365538568 /nfs/dbraw/zinc/53/85/68/365538568.db2.gz XSISBTIDIHRRPL-UHFFFAOYSA-N 1 2 282.746 2.423 20 30 CEEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000121568204 365587537 /nfs/dbraw/zinc/58/75/37/365587537.db2.gz MMWGWCPMKVIMFH-UHFFFAOYSA-N 1 2 289.335 2.372 20 30 CEEDLO C=CC[N@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000121568204 365587545 /nfs/dbraw/zinc/58/75/45/365587545.db2.gz MMWGWCPMKVIMFH-UHFFFAOYSA-N 1 2 289.335 2.372 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621405049 349594916 /nfs/dbraw/zinc/59/49/16/349594916.db2.gz JCQDJVPTXKLURX-PWSUYJOCSA-N 1 2 274.355 2.481 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000128268612 539252965 /nfs/dbraw/zinc/25/29/65/539252965.db2.gz HALQVHSOSUZDDX-GFCCVEGCSA-N 1 2 272.352 2.059 20 30 CEEDLO Cc1nn2c(C[NH2+][C@H]3CCC[C@@H]3C#N)c(C)nc2s1 ZINC000329825132 539253575 /nfs/dbraw/zinc/25/35/75/539253575.db2.gz IAGZZIFXIDKBOR-MNOVXSKESA-N 1 2 275.381 2.190 20 30 CEEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccccc1Cl ZINC000126266253 365703748 /nfs/dbraw/zinc/70/37/48/365703748.db2.gz BZVIRDADNCBPLV-XIKOKIGWSA-N 1 2 283.824 2.390 20 30 CEEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000126266253 365703750 /nfs/dbraw/zinc/70/37/50/365703750.db2.gz BZVIRDADNCBPLV-XIKOKIGWSA-N 1 2 283.824 2.390 20 30 CEEDLO N#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000012666372 343366750 /nfs/dbraw/zinc/36/67/50/343366750.db2.gz COCINCICFDIBAM-UHFFFAOYSA-N 1 2 290.326 2.178 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000044590233 343474805 /nfs/dbraw/zinc/47/48/05/343474805.db2.gz HZUFMKJSQCBPJF-OAHLLOKOSA-N 1 2 289.379 2.321 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000044590233 343474807 /nfs/dbraw/zinc/47/48/07/343474807.db2.gz HZUFMKJSQCBPJF-OAHLLOKOSA-N 1 2 289.379 2.321 20 30 CEEDLO N#CCC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601969471 346945825 /nfs/dbraw/zinc/94/58/25/346945825.db2.gz SMOIXIUELDLIFV-LBPRGKRZSA-N 1 2 256.708 2.406 20 30 CEEDLO N#CCC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601966973 346945183 /nfs/dbraw/zinc/94/51/83/346945183.db2.gz GRRNPRWDPQHEDO-NSHDSACASA-N 1 2 258.243 2.242 20 30 CEEDLO CN(C)c1ccc(CNc2ccc(C#N)cn2)c[nH+]1 ZINC000046484285 343500078 /nfs/dbraw/zinc/50/00/78/343500078.db2.gz ZYOVLSZFYXYVAU-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000052129627 343556764 /nfs/dbraw/zinc/55/67/64/343556764.db2.gz GPYFUABKUWCVBO-UHFFFAOYSA-N 1 2 276.355 2.468 20 30 CEEDLO CN(C)c1ccc(CNC(=O)c2cccc(CC#N)c2)c[nH+]1 ZINC000052619263 343564102 /nfs/dbraw/zinc/56/41/02/343564102.db2.gz GZIHRVSKEFOAIB-UHFFFAOYSA-N 1 2 294.358 2.144 20 30 CEEDLO C#CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000056579254 343618131 /nfs/dbraw/zinc/61/81/31/343618131.db2.gz RDNHULAVGAUITJ-HNNXBMFYSA-N 1 2 296.374 2.174 20 30 CEEDLO C#CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000056579255 343618307 /nfs/dbraw/zinc/61/83/07/343618307.db2.gz RDNHULAVGAUITJ-OAHLLOKOSA-N 1 2 296.374 2.174 20 30 CEEDLO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)c[nH+]1 ZINC000329551383 529778738 /nfs/dbraw/zinc/77/87/38/529778738.db2.gz AMZSWOKZONLMBR-SWLSCSKDSA-N 1 2 275.352 2.031 20 30 CEEDLO CN(C)c1ccc(CNc2cccnc2C#N)c[nH+]1 ZINC000357313525 529782197 /nfs/dbraw/zinc/78/21/97/529782197.db2.gz JXWVTTJNSMGQLF-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)C[C@@H](C)C#N ZINC000064248896 343687772 /nfs/dbraw/zinc/68/77/72/343687772.db2.gz UKVWVWUMJQJVIJ-ZDUSSCGKSA-N 1 2 273.380 2.370 20 30 CEEDLO CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)C[C@@H](C)C#N ZINC000064248896 343687774 /nfs/dbraw/zinc/68/77/74/343687774.db2.gz UKVWVWUMJQJVIJ-ZDUSSCGKSA-N 1 2 273.380 2.370 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000064248773 343687785 /nfs/dbraw/zinc/68/77/85/343687785.db2.gz WFBPBYOMKPUPKR-ZIAGYGMSSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000064248773 343687786 /nfs/dbraw/zinc/68/77/86/343687786.db2.gz WFBPBYOMKPUPKR-ZIAGYGMSSA-N 1 2 265.401 2.259 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329478229 529814783 /nfs/dbraw/zinc/81/47/83/529814783.db2.gz CFIVYOXQCBSHRB-WCQGTBRESA-N 1 2 261.325 2.161 20 30 CEEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000066469283 343714878 /nfs/dbraw/zinc/71/48/78/343714878.db2.gz WLFXMFXBLZZHLA-DZGCQCFKSA-N 1 2 287.407 2.433 20 30 CEEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000066469283 343714880 /nfs/dbraw/zinc/71/48/80/343714880.db2.gz WLFXMFXBLZZHLA-DZGCQCFKSA-N 1 2 287.407 2.433 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000068616819 343769443 /nfs/dbraw/zinc/76/94/43/343769443.db2.gz MBLBYTMVEXPLHV-SECBINFHSA-N 1 2 250.273 2.084 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602145607 346981963 /nfs/dbraw/zinc/98/19/63/346981963.db2.gz YIBRGRWKXZMJGK-KFWWJZLASA-N 1 2 292.342 2.189 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602145607 346981965 /nfs/dbraw/zinc/98/19/65/346981965.db2.gz YIBRGRWKXZMJGK-KFWWJZLASA-N 1 2 292.342 2.189 20 30 CEEDLO C=CCN(CCC#N)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602151741 346982959 /nfs/dbraw/zinc/98/29/59/346982959.db2.gz CJAFIRCINCCLLR-UHFFFAOYSA-N 1 2 268.320 2.185 20 30 CEEDLO CCN(C(=O)c1ccn2cc(C)[nH+]c2c1)[C@H](C)C#N ZINC000602187044 346990793 /nfs/dbraw/zinc/99/07/93/346990793.db2.gz KGKTYWFWURZOOD-LLVKDONJSA-N 1 2 256.309 2.017 20 30 CEEDLO N#Cc1nccnc1NCc1ccccc1-n1cc[nH+]c1 ZINC000091506271 344165758 /nfs/dbraw/zinc/16/57/58/344165758.db2.gz OPAZXZRAUHAQOL-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC000093100125 344213895 /nfs/dbraw/zinc/21/38/95/344213895.db2.gz IVTKYASFZDULHN-UHFFFAOYSA-N 1 2 292.379 2.374 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC000093100125 344213897 /nfs/dbraw/zinc/21/38/97/344213897.db2.gz IVTKYASFZDULHN-UHFFFAOYSA-N 1 2 292.379 2.374 20 30 CEEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000157360718 344446183 /nfs/dbraw/zinc/44/61/83/344446183.db2.gz NPSUXEPJMSPDKE-GFCCVEGCSA-N 1 2 250.342 2.098 20 30 CEEDLO CCOC(=O)[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000157360718 344446185 /nfs/dbraw/zinc/44/61/85/344446185.db2.gz NPSUXEPJMSPDKE-GFCCVEGCSA-N 1 2 250.342 2.098 20 30 CEEDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)cc1Cl ZINC000162880025 344469328 /nfs/dbraw/zinc/46/93/28/344469328.db2.gz KNBILZCDPAEMNB-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)cc1Cl ZINC000162880025 344469331 /nfs/dbraw/zinc/46/93/31/344469331.db2.gz KNBILZCDPAEMNB-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000166225657 344476089 /nfs/dbraw/zinc/47/60/89/344476089.db2.gz WDFDMVGSPAARPA-UHFFFAOYSA-N 1 2 272.348 2.394 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000166225657 344476090 /nfs/dbraw/zinc/47/60/90/344476090.db2.gz WDFDMVGSPAARPA-UHFFFAOYSA-N 1 2 272.348 2.394 20 30 CEEDLO Cc1cc([NH2+]C[C@@H](C)CCC#N)ccc1-n1cnnn1 ZINC000602491718 347057184 /nfs/dbraw/zinc/05/71/84/347057184.db2.gz KZSAENHGTKAANN-NSHDSACASA-N 1 2 270.340 2.323 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCOCc1ccccc1 ZINC000383781211 344828044 /nfs/dbraw/zinc/82/80/44/344828044.db2.gz RTQPKICLPCZSIU-HNNXBMFYSA-N 1 2 277.364 2.253 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCOCc1ccccc1 ZINC000383781211 344828047 /nfs/dbraw/zinc/82/80/47/344828047.db2.gz RTQPKICLPCZSIU-HNNXBMFYSA-N 1 2 277.364 2.253 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1)C1CC1 ZINC000530723671 344930590 /nfs/dbraw/zinc/93/05/90/344930590.db2.gz UIFLUXFXLLGDGS-NVXWUHKLSA-N 1 2 298.390 2.027 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1)C1CC1 ZINC000530723671 344930595 /nfs/dbraw/zinc/93/05/95/344930595.db2.gz UIFLUXFXLLGDGS-NVXWUHKLSA-N 1 2 298.390 2.027 20 30 CEEDLO C=CCOc1ccc(C[NH2+]Cc2ncccn2)cc1OC ZINC000582797743 344954545 /nfs/dbraw/zinc/95/45/45/344954545.db2.gz YDKTXMBJVZIZCI-UHFFFAOYSA-N 1 2 285.347 2.340 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000586778750 345021232 /nfs/dbraw/zinc/02/12/32/345021232.db2.gz SBHSYQHRSUDGBN-IAGOWNOFSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000586778750 345021234 /nfs/dbraw/zinc/02/12/34/345021234.db2.gz SBHSYQHRSUDGBN-IAGOWNOFSA-N 1 2 286.375 2.247 20 30 CEEDLO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000588204983 345043239 /nfs/dbraw/zinc/04/32/39/345043239.db2.gz XQCBUPVJTPMLBP-CQSZACIVSA-N 1 2 270.348 2.293 20 30 CEEDLO CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@](F)(C#N)C1 ZINC000588204983 345043240 /nfs/dbraw/zinc/04/32/40/345043240.db2.gz XQCBUPVJTPMLBP-CQSZACIVSA-N 1 2 270.348 2.293 20 30 CEEDLO C=CCCOCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000588859613 345058109 /nfs/dbraw/zinc/05/81/09/345058109.db2.gz DZYRXUOUTMGCBI-UHFFFAOYSA-N 1 2 259.309 2.174 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000590800180 345182415 /nfs/dbraw/zinc/18/24/15/345182415.db2.gz RJWMSKZGGRZRDT-AGIUHOORSA-N 1 2 271.364 2.244 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2cscc2C#N)c1 ZINC000590326291 345128898 /nfs/dbraw/zinc/12/88/98/345128898.db2.gz DQIVLKOHLLBAAJ-UHFFFAOYSA-N 1 2 272.333 2.333 20 30 CEEDLO N#Cc1cccnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590568038 345145705 /nfs/dbraw/zinc/14/57/05/345145705.db2.gz ZCWLYVHECHVVJN-UHFFFAOYSA-N 1 2 280.322 2.342 20 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HATXJAFYNCWERG-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CCOCC12CCCCC2 ZINC000592124767 345326854 /nfs/dbraw/zinc/32/68/54/345326854.db2.gz HATXJAFYNCWERG-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC1(C#N)CC1 ZINC000593049551 345428862 /nfs/dbraw/zinc/42/88/62/345428862.db2.gz UKTPSQMWJASQCN-VXGBXAGGSA-N 1 2 264.369 2.485 20 30 CEEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC1(C#N)CC1 ZINC000593049551 345428864 /nfs/dbraw/zinc/42/88/64/345428864.db2.gz UKTPSQMWJASQCN-VXGBXAGGSA-N 1 2 264.369 2.485 20 30 CEEDLO Cc1cc(NC(=O)NCC2(C#N)CCCC2)c(C)c[nH+]1 ZINC000593175760 345449721 /nfs/dbraw/zinc/44/97/21/345449721.db2.gz BJDFOIJQLRYUEE-UHFFFAOYSA-N 1 2 272.352 2.326 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000594008980 345565403 /nfs/dbraw/zinc/56/54/03/345565403.db2.gz SCLJZFNHGPZJSN-LBPRGKRZSA-N 1 2 289.383 2.219 20 30 CEEDLO Cc1nn(C)cc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028414 345569626 /nfs/dbraw/zinc/56/96/26/345569626.db2.gz PIWBPGIZJNBWBO-UHFFFAOYSA-N 1 2 252.321 2.116 20 30 CEEDLO Cc1nn(C)cc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028414 345569629 /nfs/dbraw/zinc/56/96/29/345569629.db2.gz PIWBPGIZJNBWBO-UHFFFAOYSA-N 1 2 252.321 2.116 20 30 CEEDLO N#CCCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000594272961 345607411 /nfs/dbraw/zinc/60/74/11/345607411.db2.gz KDXQZUCCBQALDC-CYBMUJFWSA-N 1 2 260.341 2.131 20 30 CEEDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc(C#N)c1 ZINC000594513845 345641517 /nfs/dbraw/zinc/64/15/17/345641517.db2.gz SWWQVASZBHHFOP-RISCZKNCSA-N 1 2 297.362 2.379 20 30 CEEDLO N#CC1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000057873156 362599603 /nfs/dbraw/zinc/59/96/03/362599603.db2.gz PTWCQIWFBMSAKT-UHFFFAOYSA-N 1 2 277.412 2.309 20 30 CEEDLO Cc1c[nH+]c(CCNc2cc(C)ncc2C#N)c(C)c1 ZINC000594595027 345654882 /nfs/dbraw/zinc/65/48/82/345654882.db2.gz FMNQQHNRXUFJPM-UHFFFAOYSA-N 1 2 266.348 2.350 20 30 CEEDLO CCn1nnc(C)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981451 345721303 /nfs/dbraw/zinc/72/13/03/345721303.db2.gz QGRWIUFVVJBMIL-UHFFFAOYSA-N 1 2 261.373 2.170 20 30 CEEDLO C=CCCC[NH2+][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595728871 345861830 /nfs/dbraw/zinc/86/18/30/345861830.db2.gz BQTMKGFVHNERMY-CQSZACIVSA-N 1 2 255.358 2.043 20 30 CEEDLO C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1[nH+]ccn1C ZINC000595606118 345824757 /nfs/dbraw/zinc/82/47/57/345824757.db2.gz GSKDPVCAVSBSAC-HIFPTAJRSA-N 1 2 289.383 2.110 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000595615187 345827870 /nfs/dbraw/zinc/82/78/70/345827870.db2.gz KLPLZBOYVPJJOB-GFCCVEGCSA-N 1 2 281.363 2.168 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000595615187 345827874 /nfs/dbraw/zinc/82/78/74/345827874.db2.gz KLPLZBOYVPJJOB-GFCCVEGCSA-N 1 2 281.363 2.168 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613841 345827915 /nfs/dbraw/zinc/82/79/15/345827915.db2.gz IKFOAOXMGQKCCD-NWDGAFQWSA-N 1 2 252.358 2.342 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613841 345827916 /nfs/dbraw/zinc/82/79/16/345827916.db2.gz IKFOAOXMGQKCCD-NWDGAFQWSA-N 1 2 252.358 2.342 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000595613773 345828200 /nfs/dbraw/zinc/82/82/00/345828200.db2.gz HIBYWZJLRCRWHA-NSHDSACASA-N 1 2 272.308 2.455 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000595613773 345828202 /nfs/dbraw/zinc/82/82/02/345828202.db2.gz HIBYWZJLRCRWHA-NSHDSACASA-N 1 2 272.308 2.455 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595620302 345829898 /nfs/dbraw/zinc/82/98/98/345829898.db2.gz LQJNSKOEIRMVSE-CYBMUJFWSA-N 1 2 297.358 2.471 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595620302 345829901 /nfs/dbraw/zinc/82/99/01/345829901.db2.gz LQJNSKOEIRMVSE-CYBMUJFWSA-N 1 2 297.358 2.471 20 30 CEEDLO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595837555 345893004 /nfs/dbraw/zinc/89/30/04/345893004.db2.gz JBVKBOYWQMBBOG-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1nc2ccccn2c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595837555 345893006 /nfs/dbraw/zinc/89/30/06/345893006.db2.gz JBVKBOYWQMBBOG-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000595840898 345895473 /nfs/dbraw/zinc/89/54/73/345895473.db2.gz QWBHTSOQOGRZBI-HNNXBMFYSA-N 1 2 258.321 2.193 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000595840898 345895475 /nfs/dbraw/zinc/89/54/75/345895475.db2.gz QWBHTSOQOGRZBI-HNNXBMFYSA-N 1 2 258.321 2.193 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000595841891 345895758 /nfs/dbraw/zinc/89/57/58/345895758.db2.gz PFMXVQMXULYTQG-HNNXBMFYSA-N 1 2 252.321 2.365 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000595841891 345895759 /nfs/dbraw/zinc/89/57/59/345895759.db2.gz PFMXVQMXULYTQG-HNNXBMFYSA-N 1 2 252.321 2.365 20 30 CEEDLO COC(=O)c1cccc(OCC[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842715 345896184 /nfs/dbraw/zinc/89/61/84/345896184.db2.gz ZAVWJPWETIKHPK-INIZCTEOSA-N 1 2 288.347 2.088 20 30 CEEDLO COC(=O)c1cccc(OCC[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842715 345896186 /nfs/dbraw/zinc/89/61/86/345896186.db2.gz ZAVWJPWETIKHPK-INIZCTEOSA-N 1 2 288.347 2.088 20 30 CEEDLO COC(=O)c1cccc(OCC[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842716 345896342 /nfs/dbraw/zinc/89/63/42/345896342.db2.gz ZAVWJPWETIKHPK-MRXNPFEDSA-N 1 2 288.347 2.088 20 30 CEEDLO COC(=O)c1cccc(OCC[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842716 345896344 /nfs/dbraw/zinc/89/63/44/345896344.db2.gz ZAVWJPWETIKHPK-MRXNPFEDSA-N 1 2 288.347 2.088 20 30 CEEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCCC#N ZINC000595787130 345877041 /nfs/dbraw/zinc/87/70/41/345877041.db2.gz UJZOITJHBBRYPZ-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCCC#N ZINC000595787130 345877044 /nfs/dbraw/zinc/87/70/44/345877044.db2.gz UJZOITJHBBRYPZ-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(C#N)c1C ZINC000595805671 345879418 /nfs/dbraw/zinc/87/94/18/345879418.db2.gz AMYRUKJXTPOUTJ-VXGBXAGGSA-N 1 2 273.336 2.048 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C#N)c1C ZINC000595805671 345879419 /nfs/dbraw/zinc/87/94/19/345879419.db2.gz AMYRUKJXTPOUTJ-VXGBXAGGSA-N 1 2 273.336 2.048 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810799 345881870 /nfs/dbraw/zinc/88/18/70/345881870.db2.gz OIMMNVLNAAGPCX-QEJZJMRPSA-N 1 2 270.332 2.114 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810799 345881874 /nfs/dbraw/zinc/88/18/74/345881874.db2.gz OIMMNVLNAAGPCX-QEJZJMRPSA-N 1 2 270.332 2.114 20 30 CEEDLO CC[N@H+](CCC(=O)NCC1CCCCC1)[C@@H](C)C#N ZINC000595812312 345882344 /nfs/dbraw/zinc/88/23/44/345882344.db2.gz DOSLSKWYTRVBPH-ZDUSSCGKSA-N 1 2 265.401 2.307 20 30 CEEDLO CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@@H](C)C#N ZINC000595812312 345882346 /nfs/dbraw/zinc/88/23/46/345882346.db2.gz DOSLSKWYTRVBPH-ZDUSSCGKSA-N 1 2 265.401 2.307 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595868468 345902428 /nfs/dbraw/zinc/90/24/28/345902428.db2.gz WULIXABEBMTQQM-YGRLFVJLSA-N 1 2 279.290 2.031 20 30 CEEDLO COC(=O)Cc1cc[nH+]c(NCC(C)(C)CC#N)c1 ZINC000596264555 345985316 /nfs/dbraw/zinc/98/53/16/345985316.db2.gz MGZZDIUNNACHIF-UHFFFAOYSA-N 1 2 261.325 2.149 20 30 CEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc(C#N)cc1Cl ZINC000596430353 346021987 /nfs/dbraw/zinc/02/19/87/346021987.db2.gz LXDKLMJJNGBJFS-MNOVXSKESA-N 1 2 294.786 2.128 20 30 CEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc(C#N)cc1Cl ZINC000596430353 346021991 /nfs/dbraw/zinc/02/19/91/346021991.db2.gz LXDKLMJJNGBJFS-MNOVXSKESA-N 1 2 294.786 2.128 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)CC#N ZINC000596667934 346075306 /nfs/dbraw/zinc/07/53/06/346075306.db2.gz JENBPDNRXLNPDP-NSHDSACASA-N 1 2 270.336 2.011 20 30 CEEDLO Cn1ncc2c1CC(C)(C)C[N@H+](C[C@@H](C#N)CCC#N)C2 ZINC000596598442 346062831 /nfs/dbraw/zinc/06/28/31/346062831.db2.gz GEANREOZYWZBJV-CYBMUJFWSA-N 1 2 285.395 2.248 20 30 CEEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](C[C@@H](C#N)CCC#N)C2 ZINC000596598442 346062833 /nfs/dbraw/zinc/06/28/33/346062833.db2.gz GEANREOZYWZBJV-CYBMUJFWSA-N 1 2 285.395 2.248 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597026287 346117226 /nfs/dbraw/zinc/11/72/26/346117226.db2.gz GTAUOUVPRARITL-UHFFFAOYSA-N 1 2 284.359 2.379 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597026287 346117227 /nfs/dbraw/zinc/11/72/27/346117227.db2.gz GTAUOUVPRARITL-UHFFFAOYSA-N 1 2 284.359 2.379 20 30 CEEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597111890 346129206 /nfs/dbraw/zinc/12/92/06/346129206.db2.gz VQLARCNLVVLPHA-OAHLLOKOSA-N 1 2 284.359 2.283 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)[C@H](C)CC#N)ccc2n1C ZINC000597319372 346170913 /nfs/dbraw/zinc/17/09/13/346170913.db2.gz NJXVTIDGMZKZKD-SECBINFHSA-N 1 2 256.309 2.370 20 30 CEEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc2c1OCO2 ZINC000597228209 346155528 /nfs/dbraw/zinc/15/55/28/346155528.db2.gz BNAHYJJFWJPTMR-HNNXBMFYSA-N 1 2 274.320 2.159 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc2c1OCO2 ZINC000597228209 346155531 /nfs/dbraw/zinc/15/55/31/346155531.db2.gz BNAHYJJFWJPTMR-HNNXBMFYSA-N 1 2 274.320 2.159 20 30 CEEDLO N#CC1(CC(=O)N2CCn3c[nH+]cc3C2)CCCCC1 ZINC000597669510 346213928 /nfs/dbraw/zinc/21/39/28/346213928.db2.gz AXENSXYQVGQXRS-UHFFFAOYSA-N 1 2 272.352 2.089 20 30 CEEDLO C[C@H](CC(=O)NCCc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000597894328 346246926 /nfs/dbraw/zinc/24/69/26/346246926.db2.gz OPCPRWUQZGRFTF-CYBMUJFWSA-N 1 2 282.347 2.065 20 30 CEEDLO C[C@@H](CC(=O)NCC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000598316591 346325070 /nfs/dbraw/zinc/32/50/70/346325070.db2.gz WGAZZUVCILUDBG-ZDUSSCGKSA-N 1 2 274.368 2.424 20 30 CEEDLO C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1[nH+]ccn1C ZINC000598464382 346361000 /nfs/dbraw/zinc/36/10/00/346361000.db2.gz JLVSABIGOAORQB-HIFRSBDPSA-N 1 2 296.374 2.370 20 30 CEEDLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598586388 346377297 /nfs/dbraw/zinc/37/72/97/346377297.db2.gz SKTFYYFEQQPWNY-STQMWFEESA-N 1 2 292.383 2.206 20 30 CEEDLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598586388 346377298 /nfs/dbraw/zinc/37/72/98/346377298.db2.gz SKTFYYFEQQPWNY-STQMWFEESA-N 1 2 292.383 2.206 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000598836916 346425653 /nfs/dbraw/zinc/42/56/53/346425653.db2.gz RZXGVRIDUJEJTO-UBHSHLNASA-N 1 2 299.365 2.162 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598949300 346436414 /nfs/dbraw/zinc/43/64/14/346436414.db2.gz YAOQEZWNAJXIQG-CQSZACIVSA-N 1 2 294.358 2.039 20 30 CEEDLO CCC(F)(F)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000598996565 346444195 /nfs/dbraw/zinc/44/41/95/346444195.db2.gz KJSFFSQSCXYLJI-UHFFFAOYSA-N 1 2 264.279 2.341 20 30 CEEDLO CCC(F)(F)CNCc1c[nH+]c2ccc(C#N)cn12 ZINC000598996565 346444199 /nfs/dbraw/zinc/44/41/99/346444199.db2.gz KJSFFSQSCXYLJI-UHFFFAOYSA-N 1 2 264.279 2.341 20 30 CEEDLO CC#CC[C@@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599093750 346459115 /nfs/dbraw/zinc/45/91/15/346459115.db2.gz REOMPVLTOMULAQ-LBPRGKRZSA-N 1 2 285.303 2.329 20 30 CEEDLO Cc1cc(NC[C@@H]2CCC[N@@H+]2CC(F)F)cc(C#N)n1 ZINC000599134555 346465074 /nfs/dbraw/zinc/46/50/74/346465074.db2.gz WLMBGMADRTUNBT-ZDUSSCGKSA-N 1 2 280.322 2.403 20 30 CEEDLO Cc1cc(NC[C@@H]2CCC[N@H+]2CC(F)F)cc(C#N)n1 ZINC000599134555 346465077 /nfs/dbraw/zinc/46/50/77/346465077.db2.gz WLMBGMADRTUNBT-ZDUSSCGKSA-N 1 2 280.322 2.403 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000623256859 349964693 /nfs/dbraw/zinc/96/46/93/349964693.db2.gz YACHTNIKLCPSON-LBPRGKRZSA-N 1 2 259.353 2.061 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599377004 346509875 /nfs/dbraw/zinc/50/98/75/346509875.db2.gz FXTACHAVDTURSO-MRXNPFEDSA-N 1 2 285.391 2.309 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599377004 346509878 /nfs/dbraw/zinc/50/98/78/346509878.db2.gz FXTACHAVDTURSO-MRXNPFEDSA-N 1 2 285.391 2.309 20 30 CEEDLO Cc1ccc2sc(C[N@@H+]3CC[C@@](O)(CC#N)C3)nc2c1 ZINC000599454788 346524200 /nfs/dbraw/zinc/52/42/00/346524200.db2.gz BQGVRKKTEINTQB-HNNXBMFYSA-N 1 2 287.388 2.455 20 30 CEEDLO Cc1ccc2sc(C[N@H+]3CC[C@@](O)(CC#N)C3)nc2c1 ZINC000599454788 346524203 /nfs/dbraw/zinc/52/42/03/346524203.db2.gz BQGVRKKTEINTQB-HNNXBMFYSA-N 1 2 287.388 2.455 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccncc1Br ZINC000602607442 347099160 /nfs/dbraw/zinc/09/91/60/347099160.db2.gz JYULBNDOAKOTCV-MRVPVSSYSA-N 1 2 254.131 2.093 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1C#N ZINC000599296914 346493091 /nfs/dbraw/zinc/49/30/91/346493091.db2.gz KGHLQLLHHUQRHV-NQCMUKECSA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1C#N ZINC000599296914 346493094 /nfs/dbraw/zinc/49/30/94/346493094.db2.gz KGHLQLLHHUQRHV-NQCMUKECSA-N 1 2 276.405 2.208 20 30 CEEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CCC[C@@](C)(C#N)C1 ZINC000602606100 347097124 /nfs/dbraw/zinc/09/71/24/347097124.db2.gz BHMCTQKMDDISHX-ZFWWWQNUSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000602606100 347097128 /nfs/dbraw/zinc/09/71/28/347097128.db2.gz BHMCTQKMDDISHX-ZFWWWQNUSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000602606100 347097130 /nfs/dbraw/zinc/09/71/30/347097130.db2.gz BHMCTQKMDDISHX-ZFWWWQNUSA-N 1 2 258.369 2.497 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678192 346562164 /nfs/dbraw/zinc/56/21/64/346562164.db2.gz JEUIGYDSUOJXLB-TZMCWYRMSA-N 1 2 293.338 2.351 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678192 346562167 /nfs/dbraw/zinc/56/21/67/346562167.db2.gz JEUIGYDSUOJXLB-TZMCWYRMSA-N 1 2 293.338 2.351 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000602612075 347101873 /nfs/dbraw/zinc/10/18/73/347101873.db2.gz YWQQUELEEWYQRW-AWEZNQCLSA-N 1 2 281.306 2.369 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000602612075 347101875 /nfs/dbraw/zinc/10/18/75/347101875.db2.gz YWQQUELEEWYQRW-AWEZNQCLSA-N 1 2 281.306 2.369 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1F ZINC000599643148 346552378 /nfs/dbraw/zinc/55/23/78/346552378.db2.gz RDDRKHNPJBAGFQ-CYBMUJFWSA-N 1 2 266.291 2.258 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1F ZINC000599643148 346552381 /nfs/dbraw/zinc/55/23/81/346552381.db2.gz RDDRKHNPJBAGFQ-CYBMUJFWSA-N 1 2 266.291 2.258 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/CCCO[C@@H]2CCOC2)c1 ZINC000129353251 365849462 /nfs/dbraw/zinc/84/94/62/365849462.db2.gz CCNXJGGULSFSMG-DWKHYPNZSA-N 1 2 279.336 2.015 20 30 CEEDLO N#Cc1ccc(-c2c[nH+]c3n2CCCC3)c(CO)c1 ZINC000600845301 346699649 /nfs/dbraw/zinc/69/96/49/346699649.db2.gz MPIVOGARPBMXMJ-UHFFFAOYSA-N 1 2 253.305 2.250 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)C3(C#N)CC4(CC4)C3)cn21 ZINC000601139351 346766135 /nfs/dbraw/zinc/76/61/35/346766135.db2.gz BHFWCWUZUYKKII-UHFFFAOYSA-N 1 2 294.358 2.343 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601027608 346735675 /nfs/dbraw/zinc/73/56/75/346735675.db2.gz WXEZBSMTBYTSCT-AWEZNQCLSA-N 1 2 282.347 2.223 20 30 CEEDLO N#CCCCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601038499 346737538 /nfs/dbraw/zinc/73/75/38/346737538.db2.gz QSUVPJAZXVALFE-UHFFFAOYSA-N 1 2 282.347 2.225 20 30 CEEDLO C[C@H](CCC#N)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000602616147 347104944 /nfs/dbraw/zinc/10/49/44/347104944.db2.gz HMRZHNUEJZMCAS-CQSZACIVSA-N 1 2 271.364 2.275 20 30 CEEDLO C[C@H](CCC#N)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000602616147 347104948 /nfs/dbraw/zinc/10/49/48/347104948.db2.gz HMRZHNUEJZMCAS-CQSZACIVSA-N 1 2 271.364 2.275 20 30 CEEDLO Cc1cc(NCc2cccc3c2CCOC3)c(C#N)c[nH+]1 ZINC000601239164 346799889 /nfs/dbraw/zinc/79/98/89/346799889.db2.gz GALPBVICPMNLED-UHFFFAOYSA-N 1 2 279.343 2.368 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602642135 347119290 /nfs/dbraw/zinc/11/92/90/347119290.db2.gz HNFDRCVZGXNAIG-GHMZBOCLSA-N 1 2 278.356 2.128 20 30 CEEDLO Cn1nc2c(c1C[N@@H+]1CC[C@](C)(C#N)C1)CCCC2 ZINC000602717935 347168113 /nfs/dbraw/zinc/16/81/13/347168113.db2.gz KZRZFPWWJKHXSS-OAHLLOKOSA-N 1 2 258.369 2.034 20 30 CEEDLO Cn1nc2c(c1C[N@H+]1CC[C@](C)(C#N)C1)CCCC2 ZINC000602717935 347168115 /nfs/dbraw/zinc/16/81/15/347168115.db2.gz KZRZFPWWJKHXSS-OAHLLOKOSA-N 1 2 258.369 2.034 20 30 CEEDLO CCC1(CC)C[N@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000602812252 347209937 /nfs/dbraw/zinc/20/99/37/347209937.db2.gz OWAFLCMZDQNHOQ-SFHVURJKSA-N 1 2 268.426 2.303 20 30 CEEDLO CCC1(CC)C[N@@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000602812252 347209942 /nfs/dbraw/zinc/20/99/42/347209942.db2.gz OWAFLCMZDQNHOQ-SFHVURJKSA-N 1 2 268.426 2.303 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@H](COC)Cc1ccccc1)C(=O)OC ZINC000602733629 347177226 /nfs/dbraw/zinc/17/72/26/347177226.db2.gz KCEHTZKTRQLENI-JKSUJKDBSA-N 1 2 291.391 2.342 20 30 CEEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)CC1(CC#N)CC1 ZINC000602835880 347218589 /nfs/dbraw/zinc/21/85/89/347218589.db2.gz KKDJJJMQHNEPLY-LBPRGKRZSA-N 1 2 252.358 2.200 20 30 CEEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602835880 347218591 /nfs/dbraw/zinc/21/85/91/347218591.db2.gz KKDJJJMQHNEPLY-LBPRGKRZSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(F)cc2F)C[C@H](C)N1CC#N ZINC000602855767 347226200 /nfs/dbraw/zinc/22/62/00/347226200.db2.gz WSSSECKAQBQHDV-RYUDHWBXSA-N 1 2 279.334 2.383 20 30 CEEDLO Cc1ccc2nc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cn2c1 ZINC000602854551 347226362 /nfs/dbraw/zinc/22/63/62/347226362.db2.gz CQKIJPSQYWSKPI-GASCZTMLSA-N 1 2 297.406 2.061 20 30 CEEDLO Cc1ccc2nc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cn2c1 ZINC000602854551 347226363 /nfs/dbraw/zinc/22/63/63/347226363.db2.gz CQKIJPSQYWSKPI-GASCZTMLSA-N 1 2 297.406 2.061 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602863584 347229955 /nfs/dbraw/zinc/22/99/55/347229955.db2.gz ONIZICKHVRZWAO-JCWGXCKPSA-N 1 2 289.423 2.352 20 30 CEEDLO COC(=O)c1oc([C@H](C)[NH2+][C@@H](C)CC#N)cc1C ZINC000602867066 347231341 /nfs/dbraw/zinc/23/13/41/347231341.db2.gz BDVUAHCEPWYBLK-UWVGGRQHSA-N 1 2 250.298 2.327 20 30 CEEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602869238 347232191 /nfs/dbraw/zinc/23/21/91/347232191.db2.gz MZSQJYIUDILBHM-NEPJUHHUSA-N 1 2 275.352 2.222 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000602871808 347232723 /nfs/dbraw/zinc/23/27/23/347232723.db2.gz XFZLZUVJJJPGJP-NWDGAFQWSA-N 1 2 297.362 2.295 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000602870575 347232956 /nfs/dbraw/zinc/23/29/56/347232956.db2.gz NLXKFCXEAAFSKK-LLVKDONJSA-N 1 2 268.320 2.241 20 30 CEEDLO C[N@H+](CC(=O)N1CCCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602973495 347259928 /nfs/dbraw/zinc/25/99/28/347259928.db2.gz AVGSWZHLGAMVKO-ZIAGYGMSSA-N 1 2 263.385 2.013 20 30 CEEDLO C[N@@H+](CC(=O)N1CCCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602973495 347259931 /nfs/dbraw/zinc/25/99/31/347259931.db2.gz AVGSWZHLGAMVKO-ZIAGYGMSSA-N 1 2 263.385 2.013 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602981503 347265000 /nfs/dbraw/zinc/26/50/00/347265000.db2.gz FEVZCFKNLKSQGG-SWLSCSKDSA-N 1 2 287.363 2.382 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602981503 347265002 /nfs/dbraw/zinc/26/50/02/347265002.db2.gz FEVZCFKNLKSQGG-SWLSCSKDSA-N 1 2 287.363 2.382 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000602985624 347267603 /nfs/dbraw/zinc/26/76/03/347267603.db2.gz CMWNRNNIWJXOFM-UHFFFAOYSA-N 1 2 287.334 2.347 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC000602985624 347267605 /nfs/dbraw/zinc/26/76/05/347267605.db2.gz CMWNRNNIWJXOFM-UHFFFAOYSA-N 1 2 287.334 2.347 20 30 CEEDLO N#CC1(Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CCC1 ZINC000603257783 347323304 /nfs/dbraw/zinc/32/33/04/347323304.db2.gz XDRMDQVIIPAJQR-UHFFFAOYSA-N 1 2 299.353 2.401 20 30 CEEDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1(C#N)CCC1 ZINC000604465059 347416677 /nfs/dbraw/zinc/41/66/77/347416677.db2.gz QRMDYMPWKBTJMX-UHFFFAOYSA-N 1 2 294.358 2.450 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000610133211 347661699 /nfs/dbraw/zinc/66/16/99/347661699.db2.gz PKAZYJVOWCNFCA-LLVKDONJSA-N 1 2 263.307 2.105 20 30 CEEDLO C[C@H]1C[N@H+](CCNc2ccc(Cl)cc2C#N)CCO1 ZINC000609149926 347628708 /nfs/dbraw/zinc/62/87/08/347628708.db2.gz HOTUMEPXXSFXJL-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@H]1C[N@@H+](CCNc2ccc(Cl)cc2C#N)CCO1 ZINC000609149926 347628711 /nfs/dbraw/zinc/62/87/11/347628711.db2.gz HOTUMEPXXSFXJL-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO N#CCCN(Cc1cccnc1)C(=O)CCCn1cc[nH+]c1 ZINC000609167938 347629824 /nfs/dbraw/zinc/62/98/24/347629824.db2.gz JGDFRHBYWOUGGD-UHFFFAOYSA-N 1 2 297.362 2.001 20 30 CEEDLO CC(C)Oc1ncccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000609574382 347644183 /nfs/dbraw/zinc/64/41/83/347644183.db2.gz RSGXOTWTQCXBLK-CYBMUJFWSA-N 1 2 272.352 2.402 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000610762908 347712989 /nfs/dbraw/zinc/71/29/89/347712989.db2.gz DNKVICREDLOROX-GFCCVEGCSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000611465706 347781983 /nfs/dbraw/zinc/78/19/83/347781983.db2.gz FJAUDCNKZUFTCR-NOZJJQNGSA-N 1 2 295.745 2.476 20 30 CEEDLO CN(C(=O)CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000610982897 347726711 /nfs/dbraw/zinc/72/67/11/347726711.db2.gz KWRHUAQRJWKKMG-UHFFFAOYSA-N 1 2 268.320 2.198 20 30 CEEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CCC#N)CC1 ZINC000611176032 347748063 /nfs/dbraw/zinc/74/80/63/347748063.db2.gz RXZCDIZZAXMNGS-CYBMUJFWSA-N 1 2 288.351 2.187 20 30 CEEDLO COCC1([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000611178904 347748200 /nfs/dbraw/zinc/74/82/00/347748200.db2.gz RZQLLIIENQLTJG-UHFFFAOYSA-N 1 2 298.346 2.219 20 30 CEEDLO COCC1([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000611178904 347748202 /nfs/dbraw/zinc/74/82/02/347748202.db2.gz RZQLLIIENQLTJG-UHFFFAOYSA-N 1 2 298.346 2.219 20 30 CEEDLO CC(C)(C#N)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000611621337 347800163 /nfs/dbraw/zinc/80/01/63/347800163.db2.gz YRCWMRDHHRHZBV-UHFFFAOYSA-N 1 2 257.297 2.006 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(C#N)c2)c1 ZINC000612347060 347872287 /nfs/dbraw/zinc/87/22/87/347872287.db2.gz RUKQTRINILRTRL-UHFFFAOYSA-N 1 2 266.304 2.272 20 30 CEEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000612357955 347873181 /nfs/dbraw/zinc/87/31/81/347873181.db2.gz WOVOUGVAEBQIGM-INIZCTEOSA-N 1 2 297.362 2.170 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613276129 348015449 /nfs/dbraw/zinc/01/54/49/348015449.db2.gz ZAQWTTJQECTIEZ-JHJVBQTASA-N 1 2 261.369 2.385 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614134136 348147643 /nfs/dbraw/zinc/14/76/43/348147643.db2.gz TYVUWGQQLGPQNV-NEPJUHHUSA-N 1 2 259.353 2.082 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614134136 348147644 /nfs/dbraw/zinc/14/76/44/348147644.db2.gz TYVUWGQQLGPQNV-NEPJUHHUSA-N 1 2 259.353 2.082 20 30 CEEDLO C=C[C@@](C)(O)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000614545880 348213709 /nfs/dbraw/zinc/21/37/09/348213709.db2.gz RNAGTRMHUFEMOJ-QGZVFWFLSA-N 1 2 299.374 2.233 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC2(C#N)CC2)C1 ZINC000614923407 348255069 /nfs/dbraw/zinc/25/50/69/348255069.db2.gz ACVLNLKVXDXXQB-LLVKDONJSA-N 1 2 262.275 2.333 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000614923407 348255073 /nfs/dbraw/zinc/25/50/73/348255073.db2.gz ACVLNLKVXDXXQB-LLVKDONJSA-N 1 2 262.275 2.333 20 30 CEEDLO Cc1cccc2[nH+]c(CN3CC[C@@](F)(C#N)C3)cn21 ZINC000615645283 348365814 /nfs/dbraw/zinc/36/58/14/348365814.db2.gz NHHGSWSKCXBKKK-CQSZACIVSA-N 1 2 258.300 2.080 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000617779265 348789662 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N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC000619450208 349184203 /nfs/dbraw/zinc/18/42/03/349184203.db2.gz YTJKCPPTZUHSSP-OAHLLOKOSA-N 1 2 280.331 2.018 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000619700063 349221133 /nfs/dbraw/zinc/22/11/33/349221133.db2.gz WAHFYWDQHRCAMJ-HNNXBMFYSA-N 1 2 273.332 2.209 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000619700063 349221138 /nfs/dbraw/zinc/22/11/38/349221138.db2.gz WAHFYWDQHRCAMJ-HNNXBMFYSA-N 1 2 273.332 2.209 20 30 CEEDLO C=C[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)OC ZINC000619700736 349221661 /nfs/dbraw/zinc/22/16/61/349221661.db2.gz JYFIPXCLLMEFNL-MFKMUULPSA-N 1 2 251.301 2.246 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)C(=O)OC ZINC000619704308 349224768 /nfs/dbraw/zinc/22/47/68/349224768.db2.gz CTBZBTOLQLXIOV-GOEBONIOSA-N 1 2 288.391 2.220 20 30 CEEDLO C=C[C@H](C(=O)OC)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000619720542 349229048 /nfs/dbraw/zinc/22/90/48/349229048.db2.gz PUHSMCNSNSIPAC-OAHLLOKOSA-N 1 2 291.395 2.103 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000619720542 349229053 /nfs/dbraw/zinc/22/90/53/349229053.db2.gz PUHSMCNSNSIPAC-OAHLLOKOSA-N 1 2 291.395 2.103 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083100 180094129 /nfs/dbraw/zinc/09/41/29/180094129.db2.gz UYCVEPROGAOKPP-UHFFFAOYSA-N 1 2 297.324 2.470 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083100 180094131 /nfs/dbraw/zinc/09/41/31/180094131.db2.gz UYCVEPROGAOKPP-UHFFFAOYSA-N 1 2 297.324 2.470 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000105453824 186058001 /nfs/dbraw/zinc/05/80/01/186058001.db2.gz RHOCGFZWKAULDE-UHFFFAOYSA-N 1 2 293.168 2.266 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361346 180368215 /nfs/dbraw/zinc/36/82/15/180368215.db2.gz HEENVQBQNFQHCE-INIZCTEOSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CC[N@H+](Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361346 180368218 /nfs/dbraw/zinc/36/82/18/180368218.db2.gz HEENVQBQNFQHCE-INIZCTEOSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CCCCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626490314 350736649 /nfs/dbraw/zinc/73/66/49/350736649.db2.gz DQRNZQPANZTGJW-CYBMUJFWSA-N 1 2 261.369 2.226 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627623160 350895362 /nfs/dbraw/zinc/89/53/62/350895362.db2.gz RDKIQNKGXINXIL-LBPRGKRZSA-N 1 2 261.369 2.082 20 30 CEEDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cs1 ZINC000112547009 186503985 /nfs/dbraw/zinc/50/39/85/186503985.db2.gz AEILXAIAOVRZKW-WDEREUQCSA-N 1 2 294.424 2.117 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000628485659 351113431 /nfs/dbraw/zinc/11/34/31/351113431.db2.gz QMZOFGMISSWWPB-CYBMUJFWSA-N 1 2 269.348 2.301 20 30 CEEDLO Cc1nc(NCc2ccc(N(C)C)[nH+]c2)ccc1C#N ZINC000291716878 198068938 /nfs/dbraw/zinc/06/89/38/198068938.db2.gz WFHTUVLQWPMCKF-UHFFFAOYSA-N 1 2 267.336 2.335 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(F)F)nc2)nn1 ZINC000631162461 351994157 /nfs/dbraw/zinc/99/41/57/351994157.db2.gz ASOBILKHOQHKMY-UHFFFAOYSA-N 1 2 279.294 2.087 20 30 CEEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccccc1C ZINC000072688933 363157055 /nfs/dbraw/zinc/15/70/55/363157055.db2.gz GNOICXOUETUHAM-UHFFFAOYSA-N 1 2 289.379 2.186 20 30 CEEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C ZINC000072688933 363157056 /nfs/dbraw/zinc/15/70/56/363157056.db2.gz GNOICXOUETUHAM-UHFFFAOYSA-N 1 2 289.379 2.186 20 30 CEEDLO Cc1cc(NC(=O)COc2ccccc2C#N)cc[nH+]1 ZINC000072709817 363160414 /nfs/dbraw/zinc/16/04/14/363160414.db2.gz IADZIORLMSVAFD-UHFFFAOYSA-N 1 2 267.288 2.279 20 30 CEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nccs3)C2)nc1 ZINC000292041321 198143191 /nfs/dbraw/zinc/14/31/91/198143191.db2.gz AOGINIGKALGNQE-LBPRGKRZSA-N 1 2 286.360 2.063 20 30 CEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nccs3)C2)nc1 ZINC000292041321 198143192 /nfs/dbraw/zinc/14/31/92/198143192.db2.gz AOGINIGKALGNQE-LBPRGKRZSA-N 1 2 286.360 2.063 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000153747842 188100509 /nfs/dbraw/zinc/10/05/09/188100509.db2.gz PPGGOLZMQDRVIA-UHFFFAOYSA-N 1 2 299.374 2.460 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000153747842 188100510 /nfs/dbraw/zinc/10/05/10/188100510.db2.gz PPGGOLZMQDRVIA-UHFFFAOYSA-N 1 2 299.374 2.460 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000154623237 188154337 /nfs/dbraw/zinc/15/43/37/188154337.db2.gz CSQBXBYUEOFGOG-UHFFFAOYSA-N 1 2 259.353 2.331 20 30 CEEDLO C=C(C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000156663371 188275409 /nfs/dbraw/zinc/27/54/09/188275409.db2.gz UQTGTNITZXLCME-UHFFFAOYSA-N 1 2 289.379 2.216 20 30 CEEDLO CC(C)(C#N)CCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000131889275 366097272 /nfs/dbraw/zinc/09/72/72/366097272.db2.gz LLUZDROUNRNRNQ-UHFFFAOYSA-N 1 2 287.407 2.450 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCc2nnc(C(C)C)o2)cc1F ZINC000132044204 366112565 /nfs/dbraw/zinc/11/25/65/366112565.db2.gz NCMWDOMQKMRRRM-UHFFFAOYSA-N 1 2 292.314 2.478 20 30 CEEDLO C=CCCCC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000337272518 366118806 /nfs/dbraw/zinc/11/88/06/366118806.db2.gz DNNWYOGOSZSZPE-UHFFFAOYSA-N 1 2 273.380 2.395 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCc2nnc(C(C)C)o2)c1 ZINC000132452334 366146100 /nfs/dbraw/zinc/14/61/00/366146100.db2.gz WZDCFUHTMIBCSX-UHFFFAOYSA-N 1 2 290.323 2.039 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(CC)CCC#N)Cc1cccs1 ZINC000076650716 363543789 /nfs/dbraw/zinc/54/37/89/363543789.db2.gz ZGYJJQYSKOKLFU-UHFFFAOYSA-N 1 2 291.420 2.498 20 30 CEEDLO C=CC[N@H+](CC(=O)N(CC)CCC#N)Cc1cccs1 ZINC000076650716 363543795 /nfs/dbraw/zinc/54/37/95/363543795.db2.gz ZGYJJQYSKOKLFU-UHFFFAOYSA-N 1 2 291.420 2.498 20 30 CEEDLO Cc1ccnc([C@H]2CC[N@H+](Cc3ncc(C#N)cn3)C2)c1 ZINC000570862667 299281738 /nfs/dbraw/zinc/28/17/38/299281738.db2.gz FQIDLZIVQSNQRL-AWEZNQCLSA-N 1 2 279.347 2.041 20 30 CEEDLO Cc1ccnc([C@H]2CC[N@@H+](Cc3ncc(C#N)cn3)C2)c1 ZINC000570862667 299281741 /nfs/dbraw/zinc/28/17/41/299281741.db2.gz FQIDLZIVQSNQRL-AWEZNQCLSA-N 1 2 279.347 2.041 20 30 CEEDLO Cc1cc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(C#N)c[nH+]1 ZINC000571040724 299291231 /nfs/dbraw/zinc/29/12/31/299291231.db2.gz DJHKINSHVJRIGX-HIFRSBDPSA-N 1 2 289.404 2.150 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(C#N)CC1 ZINC000146870487 366573979 /nfs/dbraw/zinc/57/39/79/366573979.db2.gz JQSFOJYFCIRAHC-UHFFFAOYSA-N 1 2 282.347 2.107 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000176820155 189010578 /nfs/dbraw/zinc/01/05/78/189010578.db2.gz OYKTWBUIPCGHAP-UHFFFAOYSA-N 1 2 278.327 2.471 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000176820155 189010579 /nfs/dbraw/zinc/01/05/79/189010579.db2.gz OYKTWBUIPCGHAP-UHFFFAOYSA-N 1 2 278.327 2.471 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC000179864860 189224445 /nfs/dbraw/zinc/22/44/45/189224445.db2.gz BLVIWNVUJCBPML-ZDUSSCGKSA-N 1 2 277.364 2.481 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC000179864860 189224446 /nfs/dbraw/zinc/22/44/46/189224446.db2.gz BLVIWNVUJCBPML-ZDUSSCGKSA-N 1 2 277.364 2.481 20 30 CEEDLO CC#CCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000677811340 541045663 /nfs/dbraw/zinc/04/56/63/541045663.db2.gz HONMRXNNHOTEOU-OAHLLOKOSA-N 1 2 296.374 2.026 20 30 CEEDLO COCC#CCN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000677820477 541047189 /nfs/dbraw/zinc/04/71/89/541047189.db2.gz OUDZPMPDXMGNRY-UHFFFAOYSA-N 1 2 283.375 2.013 20 30 CEEDLO C#CC[N@H+](Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000155761262 366822985 /nfs/dbraw/zinc/82/29/85/366822985.db2.gz QUHYKZSMRZJQGL-UHFFFAOYSA-N 1 2 281.363 2.040 20 30 CEEDLO C#CC[N@@H+](Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000155761262 366822989 /nfs/dbraw/zinc/82/29/89/366822989.db2.gz QUHYKZSMRZJQGL-UHFFFAOYSA-N 1 2 281.363 2.040 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000026329578 361638788 /nfs/dbraw/zinc/63/87/88/361638788.db2.gz XVIKSDDLOIKKST-MRXNPFEDSA-N 1 2 297.333 2.356 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000026329578 361638789 /nfs/dbraw/zinc/63/87/89/361638789.db2.gz 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PNKDIXUXSTYGFY-UHFFFAOYSA-N 1 2 281.363 2.046 20 30 CEEDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccccc2C#N)cn1 ZINC000356458177 370718748 /nfs/dbraw/zinc/71/87/48/370718748.db2.gz PNKDIXUXSTYGFY-UHFFFAOYSA-N 1 2 281.363 2.046 20 30 CEEDLO C=CC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093331768 364166705 /nfs/dbraw/zinc/16/67/05/364166705.db2.gz ZFEWFSWUORNYOB-NSHDSACASA-N 1 2 283.169 2.093 20 30 CEEDLO C=CC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093331768 364166714 /nfs/dbraw/zinc/16/67/14/364166714.db2.gz ZFEWFSWUORNYOB-NSHDSACASA-N 1 2 283.169 2.093 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1cccs1 ZINC000356483474 370727713 /nfs/dbraw/zinc/72/77/13/370727713.db2.gz VVSUNUGUJJNQFJ-VXGBXAGGSA-N 1 2 279.409 2.234 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1cccs1 ZINC000356483474 370727716 /nfs/dbraw/zinc/72/77/16/370727716.db2.gz VVSUNUGUJJNQFJ-VXGBXAGGSA-N 1 2 279.409 2.234 20 30 CEEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(F)F ZINC000103488493 364659458 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ZINC000335951237 365208136 /nfs/dbraw/zinc/20/81/36/365208136.db2.gz LZXPQLDNNWIEQN-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOCC23CCC3)c1F ZINC000335951237 365208139 /nfs/dbraw/zinc/20/81/39/365208139.db2.gz LZXPQLDNNWIEQN-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000584063713 367138283 /nfs/dbraw/zinc/13/82/83/367138283.db2.gz ZRRWNDQYGZCCAB-CYBMUJFWSA-N 1 2 261.369 2.308 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245641596 370852652 /nfs/dbraw/zinc/85/26/52/370852652.db2.gz DOZJFRZYQAOCSM-ZNMIVQPWSA-N 1 2 297.443 2.140 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000602864750 367217047 /nfs/dbraw/zinc/21/70/47/367217047.db2.gz VNCSZCLHOSKQHA-WFASDCNBSA-N 1 2 271.364 2.072 20 30 CEEDLO CC[N@H+](CCCNc1nc(C)cc(C#N)n1)c1ccccc1 ZINC000341361624 367302867 /nfs/dbraw/zinc/30/28/67/367302867.db2.gz HDAQVIFHKKAXSM-UHFFFAOYSA-N 1 2 295.390 2.407 20 30 CEEDLO CC[N@@H+](CCCNc1nc(C)cc(C#N)n1)c1ccccc1 ZINC000341361624 367302871 /nfs/dbraw/zinc/30/28/71/367302871.db2.gz HDAQVIFHKKAXSM-UHFFFAOYSA-N 1 2 295.390 2.407 20 30 CEEDLO C=CCCCCCN(C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000631437048 367315633 /nfs/dbraw/zinc/31/56/33/367315633.db2.gz RDOJLIUBSHPRFJ-UHFFFAOYSA-N 1 2 280.412 2.056 20 30 CEEDLO N#CCNC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000342206805 367393753 /nfs/dbraw/zinc/39/37/53/367393753.db2.gz ONBALNXWCJGCMA-UHFFFAOYSA-N 1 2 298.173 2.212 20 30 CEEDLO N#CCCCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000170878514 367439856 /nfs/dbraw/zinc/43/98/56/367439856.db2.gz LFDINHSTJQKLPM-UHFFFAOYSA-N 1 2 297.362 2.365 20 30 CEEDLO Cc1c[nH+]c(CN(C)Cc2cccc(C#N)c2)n1C ZINC000342775895 367528143 /nfs/dbraw/zinc/52/81/43/367528143.db2.gz FYBKWSRUINVTRH-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H](C)CC#N ZINC000171551750 367565285 /nfs/dbraw/zinc/56/52/85/367565285.db2.gz SPZWDXDGKOTODX-GFCCVEGCSA-N 1 2 284.363 2.359 20 30 CEEDLO Cc1cc(NCCn2cnc(C#N)n2)c2cccc(F)c2[nH+]1 ZINC000343516509 367858370 /nfs/dbraw/zinc/85/83/70/367858370.db2.gz IKVGCRWFAQOCPD-UHFFFAOYSA-N 1 2 296.309 2.258 20 30 CEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343554681 367881725 /nfs/dbraw/zinc/88/17/25/367881725.db2.gz QWVLLQJKCBZAJU-NQCMUKECSA-N 1 2 276.405 2.094 20 30 CEEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343554681 367881735 /nfs/dbraw/zinc/88/17/35/367881735.db2.gz QWVLLQJKCBZAJU-NQCMUKECSA-N 1 2 276.405 2.094 20 30 CEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000173828537 367948115 /nfs/dbraw/zinc/94/81/15/367948115.db2.gz PUJZHIMKYDAPTN-ZBFHGGJFSA-N 1 2 288.391 2.059 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000173828537 367948117 /nfs/dbraw/zinc/94/81/17/367948117.db2.gz PUJZHIMKYDAPTN-ZBFHGGJFSA-N 1 2 288.391 2.059 20 30 CEEDLO C=CCCC[C@@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343743130 367983376 /nfs/dbraw/zinc/98/33/76/367983376.db2.gz 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ZINC000187656725 369197621 /nfs/dbraw/zinc/19/76/21/369197621.db2.gz BFEDNKPYXDJNKU-UHFFFAOYSA-N 1 2 286.253 2.495 20 30 CEEDLO C=C(C)COCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635690363 369289022 /nfs/dbraw/zinc/28/90/22/369289022.db2.gz RMKAKLKPDKYUDE-AWEZNQCLSA-N 1 2 279.384 2.179 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)o1 ZINC000189907680 369578938 /nfs/dbraw/zinc/57/89/38/369578938.db2.gz BPJFKSYPUKELKV-UHFFFAOYSA-N 1 2 297.362 2.074 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351148169 369612527 /nfs/dbraw/zinc/61/25/27/369612527.db2.gz SCERKMKLXURYJS-HUUCEWRRSA-N 1 2 282.428 2.156 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351148169 369612530 /nfs/dbraw/zinc/61/25/30/369612530.db2.gz SCERKMKLXURYJS-HUUCEWRRSA-N 1 2 282.428 2.156 20 30 CEEDLO CCc1nnc(NCc2ccc(N)[nH+]c2)c(C#N)c1CC ZINC000276575939 193387578 /nfs/dbraw/zinc/38/75/78/193387578.db2.gz NUFRKIZOXLVXKE-UHFFFAOYSA-N 1 2 282.351 2.062 20 30 CEEDLO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nncn1C ZINC000352459461 369741156 /nfs/dbraw/zinc/74/11/56/369741156.db2.gz YTCLIGFUFAPQHR-AWEZNQCLSA-N 1 2 287.342 2.313 20 30 CEEDLO C=CC[NH+](CC=C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192540685 369826528 /nfs/dbraw/zinc/82/65/28/369826528.db2.gz DJGIDDPEVNCSFC-OAHLLOKOSA-N 1 2 286.375 2.475 20 30 CEEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1C#N ZINC000352669722 369828435 /nfs/dbraw/zinc/82/84/35/369828435.db2.gz BBPIQSYMEKMIGE-DLBZAZTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1C#N ZINC000352669722 369828441 /nfs/dbraw/zinc/82/84/41/369828441.db2.gz BBPIQSYMEKMIGE-DLBZAZTESA-N 1 2 286.375 2.247 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000192236040 369781747 /nfs/dbraw/zinc/78/17/47/369781747.db2.gz QXAMTBSHGOYCAR-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000192236040 369781749 /nfs/dbraw/zinc/78/17/49/369781749.db2.gz QXAMTBSHGOYCAR-UHFFFAOYSA-N 1 2 250.729 2.152 20 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COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000235001114 370553916 /nfs/dbraw/zinc/55/39/16/370553916.db2.gz QOURHHXGZBAKAN-LSDHHAIUSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000235001114 370553923 /nfs/dbraw/zinc/55/39/23/370553923.db2.gz QOURHHXGZBAKAN-LSDHHAIUSA-N 1 2 272.348 2.320 20 30 CEEDLO C=C(Br)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247056557 371055735 /nfs/dbraw/zinc/05/57/35/371055735.db2.gz UPXKODGLTFIGLG-ZJUUUORDSA-N 1 2 278.215 2.101 20 30 CEEDLO C=C(Br)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247056557 371055743 /nfs/dbraw/zinc/05/57/43/371055743.db2.gz UPXKODGLTFIGLG-ZJUUUORDSA-N 1 2 278.215 2.101 20 30 CEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000249078274 371292114 /nfs/dbraw/zinc/29/21/14/371292114.db2.gz MCEZWXATLUPAFC-IAQYHMDHSA-N 1 2 290.338 2.328 20 30 CEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000249078274 371292117 /nfs/dbraw/zinc/29/21/17/371292117.db2.gz MCEZWXATLUPAFC-IAQYHMDHSA-N 1 2 290.338 2.328 20 30 CEEDLO C=CC[N@H+](Cc1nc(CC2CC2)no1)[C@@H](C)COC ZINC000639784403 371566243 /nfs/dbraw/zinc/56/62/43/371566243.db2.gz FIKHXZMENNQBLB-NSHDSACASA-N 1 2 265.357 2.045 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CC2CC2)no1)[C@@H](C)COC ZINC000639784403 371566254 /nfs/dbraw/zinc/56/62/54/371566254.db2.gz FIKHXZMENNQBLB-NSHDSACASA-N 1 2 265.357 2.045 20 30 CEEDLO C[C@H]1COCC[N@@H+]1CCNc1c(Cl)cccc1C#N ZINC000361012486 371598226 /nfs/dbraw/zinc/59/82/26/371598226.db2.gz XJEDLTUEVCZLDB-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@H]1COCC[N@H+]1CCNc1c(Cl)cccc1C#N ZINC000361012486 371598234 /nfs/dbraw/zinc/59/82/34/371598234.db2.gz XJEDLTUEVCZLDB-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@H](CC#N)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264018923 371955293 /nfs/dbraw/zinc/95/52/93/371955293.db2.gz FRGIUTWQNDFXFD-CYBMUJFWSA-N 1 2 282.347 2.306 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000361767515 372062267 /nfs/dbraw/zinc/06/22/67/372062267.db2.gz PMFJVUDFJMQJSZ-MRVPVSSYSA-N 1 2 260.272 2.240 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C/C=C\c2ccccc2)nn1 ZINC000640834041 372162189 /nfs/dbraw/zinc/16/21/89/372162189.db2.gz UVEOUKVDQFWNAI-YFHOEESVSA-N 1 2 266.348 2.104 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCc3ccc(F)cc32)nn1 ZINC000641136079 372334216 /nfs/dbraw/zinc/33/42/16/372334216.db2.gz DUHNXHXVWNSDLR-MRXNPFEDSA-N 1 2 284.338 2.066 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CC/C=C\c2ccccc2)nn1 ZINC000641138636 372336048 /nfs/dbraw/zinc/33/60/48/372336048.db2.gz RISQPRXIBXQAIS-XFFZJAGNSA-N 1 2 280.375 2.495 20 30 CEEDLO N#CCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367137955 227360500 /nfs/dbraw/zinc/36/05/00/227360500.db2.gz DZXZABSGINARGR-OAHLLOKOSA-N 1 2 255.321 2.235 20 30 CEEDLO N#CCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367137955 227360503 /nfs/dbraw/zinc/36/05/03/227360503.db2.gz DZXZABSGINARGR-OAHLLOKOSA-N 1 2 255.321 2.235 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000362705682 372495793 /nfs/dbraw/zinc/49/57/93/372495793.db2.gz YFNPSHPTJQQSEF-LBPRGKRZSA-N 1 2 270.336 2.246 20 30 CEEDLO N#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)s1 ZINC000362885422 372558034 /nfs/dbraw/zinc/55/80/34/372558034.db2.gz ITZXSVWKXBETQQ-UHFFFAOYSA-N 1 2 296.355 2.240 20 30 CEEDLO C=C(C)[C@H](CC(=O)NC[C@H](C)Cn1cc[nH+]c1)OCC ZINC000270168793 372685858 /nfs/dbraw/zinc/68/58/58/372685858.db2.gz KWTYLWNPXLJZOQ-KBPBESRZSA-N 1 2 279.384 2.007 20 30 CEEDLO C=CCCn1cc(CNc2[nH]c3cc(C)ccc3[nH+]2)nn1 ZINC000641794810 372731532 /nfs/dbraw/zinc/73/15/32/372731532.db2.gz QIPQPJVLAUBCKR-UHFFFAOYSA-N 1 2 282.351 2.073 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(C)CC1 ZINC000270354374 372753813 /nfs/dbraw/zinc/75/38/13/372753813.db2.gz QLFQQGMERHABLZ-HNNXBMFYSA-N 1 2 270.332 2.424 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(C)CC1 ZINC000270354374 372753816 /nfs/dbraw/zinc/75/38/16/372753816.db2.gz QLFQQGMERHABLZ-HNNXBMFYSA-N 1 2 270.332 2.424 20 30 CEEDLO C#CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364769709 372794993 /nfs/dbraw/zinc/79/49/93/372794993.db2.gz LVNHMBAPOTZYSJ-NEPJUHHUSA-N 1 2 273.380 2.166 20 30 CEEDLO C#CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364769709 372795000 /nfs/dbraw/zinc/79/50/00/372795000.db2.gz LVNHMBAPOTZYSJ-NEPJUHHUSA-N 1 2 273.380 2.166 20 30 CEEDLO C#CCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000270524265 372825219 /nfs/dbraw/zinc/82/52/19/372825219.db2.gz DGCAASWHURFMKM-HNNXBMFYSA-N 1 2 259.349 2.116 20 30 CEEDLO C#CCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000270524265 372825223 /nfs/dbraw/zinc/82/52/23/372825223.db2.gz DGCAASWHURFMKM-HNNXBMFYSA-N 1 2 259.349 2.116 20 30 CEEDLO C=C1CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000271011562 373065592 /nfs/dbraw/zinc/06/55/92/373065592.db2.gz ADCSOIGMDWDRJP-UHFFFAOYSA-N 1 2 261.373 2.217 20 30 CEEDLO C=C1CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)CC1 ZINC000271011562 373065600 /nfs/dbraw/zinc/06/56/00/373065600.db2.gz ADCSOIGMDWDRJP-UHFFFAOYSA-N 1 2 261.373 2.217 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000271189303 373172021 /nfs/dbraw/zinc/17/20/21/373172021.db2.gz KZKYGQKBGQSZHI-CKNLXJGOSA-N 1 2 291.416 2.040 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000271189303 373172029 /nfs/dbraw/zinc/17/20/29/373172029.db2.gz KZKYGQKBGQSZHI-CKNLXJGOSA-N 1 2 291.416 2.040 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000271189306 373172257 /nfs/dbraw/zinc/17/22/57/373172257.db2.gz KZKYGQKBGQSZHI-JZKQVHKSSA-N 1 2 291.416 2.040 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000271189306 373172262 /nfs/dbraw/zinc/17/22/62/373172262.db2.gz KZKYGQKBGQSZHI-JZKQVHKSSA-N 1 2 291.416 2.040 20 30 CEEDLO C=CCN(C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000367385553 373149910 /nfs/dbraw/zinc/14/99/10/373149910.db2.gz YZIZTDSJDFHENP-CYBMUJFWSA-N 1 2 288.395 2.429 20 30 CEEDLO Cc1ccc(N(C)Cc2cn3c([nH+]2)CCCC3)nc1C#N ZINC000369345681 373393116 /nfs/dbraw/zinc/39/31/16/373393116.db2.gz AYHFSCPTFKUCHR-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO C=CCCCS(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000644636655 373574957 /nfs/dbraw/zinc/57/49/57/373574957.db2.gz HLBWIXCXESNRFR-UHFFFAOYSA-N 1 2 280.393 2.340 20 30 CEEDLO C=CCCCS(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000644636655 373574968 /nfs/dbraw/zinc/57/49/68/373574968.db2.gz HLBWIXCXESNRFR-UHFFFAOYSA-N 1 2 280.393 2.340 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2noc3c2CCCC3)o1 ZINC000370676174 373714464 /nfs/dbraw/zinc/71/44/64/373714464.db2.gz ISAROGCHUVTEAW-UHFFFAOYSA-N 1 2 257.293 2.308 20 30 CEEDLO C#CC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)C1CC1 ZINC000274311771 373874718 /nfs/dbraw/zinc/87/47/18/373874718.db2.gz MOOSJCRSGFVBPZ-UHFFFAOYSA-N 1 2 291.416 2.256 20 30 CEEDLO C#CC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)C1CC1 ZINC000274311771 373874723 /nfs/dbraw/zinc/87/47/23/373874723.db2.gz MOOSJCRSGFVBPZ-UHFFFAOYSA-N 1 2 291.416 2.256 20 30 CEEDLO C=CCOc1cccc(C[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276788194 374300124 /nfs/dbraw/zinc/30/01/24/374300124.db2.gz XRUGIKQCCQUBQB-LBPRGKRZSA-N 1 2 272.352 2.231 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](C2CC2)O1 ZINC000373476126 374360483 /nfs/dbraw/zinc/36/04/83/374360483.db2.gz VAKRJJGCLGANGC-LRDDRELGSA-N 1 2 296.374 2.205 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](C2CC2)O1 ZINC000373476126 374360490 /nfs/dbraw/zinc/36/04/90/374360490.db2.gz VAKRJJGCLGANGC-LRDDRELGSA-N 1 2 296.374 2.205 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000373566749 374381790 /nfs/dbraw/zinc/38/17/90/374381790.db2.gz FEMCQEWVJNIYQC-UONOGXRCSA-N 1 2 286.379 2.034 20 30 CEEDLO CC#CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000277385132 374499576 /nfs/dbraw/zinc/49/95/76/374499576.db2.gz JXMLONCMRHUMPA-UHFFFAOYSA-N 1 2 271.364 2.102 20 30 CEEDLO CCOC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374303374 374537150 /nfs/dbraw/zinc/53/71/50/374537150.db2.gz UETVLYAGZDVECK-UHFFFAOYSA-N 1 2 270.332 2.210 20 30 CEEDLO CCOC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374303374 374537161 /nfs/dbraw/zinc/53/71/61/374537161.db2.gz UETVLYAGZDVECK-UHFFFAOYSA-N 1 2 270.332 2.210 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374692505 374627154 /nfs/dbraw/zinc/62/71/54/374627154.db2.gz HOBSATNAUILXRY-UHFFFAOYSA-N 1 2 259.353 2.302 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377727784 374937146 /nfs/dbraw/zinc/93/71/46/374937146.db2.gz VDPAJMGBWLEHJC-VXGBXAGGSA-N 1 2 275.377 2.433 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377727784 374937150 /nfs/dbraw/zinc/93/71/50/374937150.db2.gz VDPAJMGBWLEHJC-VXGBXAGGSA-N 1 2 275.377 2.433 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccccc1C#N)C[C@@H](C)O2 ZINC000279659500 374945138 /nfs/dbraw/zinc/94/51/38/374945138.db2.gz CLWSMHSROFNQBX-JKIFEVAISA-N 1 2 286.375 2.327 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1C#N)C[C@@H](C)O2 ZINC000279659500 374945145 /nfs/dbraw/zinc/94/51/45/374945145.db2.gz CLWSMHSROFNQBX-JKIFEVAISA-N 1 2 286.375 2.327 20 30 CEEDLO N#Cc1cccc(NC(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000378436603 375099327 /nfs/dbraw/zinc/09/93/27/375099327.db2.gz QNWWKJAUBLJWMA-AWEZNQCLSA-N 1 2 295.346 2.057 20 30 CEEDLO C#CC[N@H+](Cc1ccnn1-c1ccccc1)C1CC1 ZINC000280030471 375066850 /nfs/dbraw/zinc/06/68/50/375066850.db2.gz YBWSZHCYPWMUIK-UHFFFAOYSA-N 1 2 251.333 2.470 20 30 CEEDLO C#CC[N@@H+](Cc1ccnn1-c1ccccc1)C1CC1 ZINC000280030471 375066852 /nfs/dbraw/zinc/06/68/52/375066852.db2.gz YBWSZHCYPWMUIK-UHFFFAOYSA-N 1 2 251.333 2.470 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc[nH+]cc1C ZINC000280769328 375314840 /nfs/dbraw/zinc/31/48/40/375314840.db2.gz VJSMOOXYTUWWCW-GXTWGEPZSA-N 1 2 275.352 2.493 20 30 CEEDLO C=CCN1CC[C@@H](Sc2[nH+]cc3ccccn32)C1=O ZINC000280871002 375343321 /nfs/dbraw/zinc/34/33/21/375343321.db2.gz BPHPXVGJPJZLSU-GFCCVEGCSA-N 1 2 273.361 2.213 20 30 CEEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000399230980 375360962 /nfs/dbraw/zinc/36/09/62/375360962.db2.gz OZZXUXZBGMSMNE-UHFFFAOYSA-N 1 2 260.337 2.138 20 30 CEEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(CC#N)cc1 ZINC000399230980 375360964 /nfs/dbraw/zinc/36/09/64/375360964.db2.gz OZZXUXZBGMSMNE-UHFFFAOYSA-N 1 2 260.337 2.138 20 30 CEEDLO CC(C)Oc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414144058 375797836 /nfs/dbraw/zinc/79/78/36/375797836.db2.gz JJCCAPCEEVMRGB-CQSZACIVSA-N 1 2 292.379 2.059 20 30 CEEDLO CC(C)Oc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414144058 375797840 /nfs/dbraw/zinc/79/78/40/375797840.db2.gz JJCCAPCEEVMRGB-CQSZACIVSA-N 1 2 292.379 2.059 20 30 CEEDLO Cc1nc(C(C)(C)[NH2+]CCOc2cccc(C#N)c2)no1 ZINC000264278230 190101112 /nfs/dbraw/zinc/10/11/12/190101112.db2.gz GAOMAPUYHJIVLB-UHFFFAOYSA-N 1 2 286.335 2.153 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000264513984 190115072 /nfs/dbraw/zinc/11/50/72/190115072.db2.gz YLJOSYUMEDXBKI-UHFFFAOYSA-N 1 2 288.347 2.064 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000574648797 335037244 /nfs/dbraw/zinc/03/72/44/335037244.db2.gz APSXVHBGKIEDEM-CQSZACIVSA-N 1 2 271.364 2.396 20 30 CEEDLO O=C(NCC1CCC1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328606037 376859023 /nfs/dbraw/zinc/85/90/23/376859023.db2.gz KAZPTXCUXDUIMG-GFCCVEGCSA-N 1 2 262.357 2.064 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329691424 376995136 /nfs/dbraw/zinc/99/51/36/376995136.db2.gz GQVRJMSXSFVDAG-MISXGVKJSA-N 1 2 275.352 2.205 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329691424 376995148 /nfs/dbraw/zinc/99/51/48/376995148.db2.gz GQVRJMSXSFVDAG-MISXGVKJSA-N 1 2 275.352 2.205 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000291155223 377094840 /nfs/dbraw/zinc/09/48/40/377094840.db2.gz PKWWYKZBBAIZOI-UONOGXRCSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000291155223 377094849 /nfs/dbraw/zinc/09/48/49/377094849.db2.gz PKWWYKZBBAIZOI-UONOGXRCSA-N 1 2 290.411 2.452 20 30 CEEDLO C=C[C@@H](CO)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000291172455 377103180 /nfs/dbraw/zinc/10/31/80/377103180.db2.gz RBMJNHKJRMFJSI-ZDUSSCGKSA-N 1 2 270.336 2.060 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000292150781 377226639 /nfs/dbraw/zinc/22/66/39/377226639.db2.gz FWXWOSKTHUCIRP-UHFFFAOYSA-N 1 2 287.407 2.328 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000425280992 377338686 /nfs/dbraw/zinc/33/86/86/377338686.db2.gz KZNPRZINWWOYSV-STQMWFEESA-N 1 2 261.369 2.333 20 30 CEEDLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331587658 377483121 /nfs/dbraw/zinc/48/31/21/377483121.db2.gz MVEDSEYGPYWGTE-KRWDZBQOSA-N 1 2 296.374 2.174 20 30 CEEDLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331587658 377483132 /nfs/dbraw/zinc/48/31/32/377483132.db2.gz MVEDSEYGPYWGTE-KRWDZBQOSA-N 1 2 296.374 2.174 20 30 CEEDLO Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)cc[nH+]1 ZINC000188247756 249338180 /nfs/dbraw/zinc/33/81/80/249338180.db2.gz AGNBNYFYULRSIK-UHFFFAOYSA-N 1 2 253.261 2.220 20 30 CEEDLO CCc1nocc1C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000293538571 377615493 /nfs/dbraw/zinc/61/54/93/377615493.db2.gz CNGRUVAODDBFHN-UHFFFAOYSA-N 1 2 258.325 2.079 20 30 CEEDLO CCc1nocc1C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000293538571 377615498 /nfs/dbraw/zinc/61/54/98/377615498.db2.gz CNGRUVAODDBFHN-UHFFFAOYSA-N 1 2 258.325 2.079 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000565927533 377705484 /nfs/dbraw/zinc/70/54/84/377705484.db2.gz SGQIEBMCGMSUEI-VSIZIWLYSA-N 1 2 289.423 2.019 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000433019794 377778072 /nfs/dbraw/zinc/77/80/72/377778072.db2.gz AMGKMEKMMSVOLK-JLTOFOAXSA-N 1 2 293.432 2.452 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000433019794 377778075 /nfs/dbraw/zinc/77/80/75/377778075.db2.gz AMGKMEKMMSVOLK-JLTOFOAXSA-N 1 2 293.432 2.452 20 30 CEEDLO C=CCCCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000566430429 377760701 /nfs/dbraw/zinc/76/07/01/377760701.db2.gz 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CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000428423587 395147339 /nfs/dbraw/zinc/14/73/39/395147339.db2.gz QUBNAPPCSRJIQJ-ZDUSSCGKSA-N 1 2 277.393 2.062 20 30 CEEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000428423587 395147347 /nfs/dbraw/zinc/14/73/47/395147347.db2.gz QUBNAPPCSRJIQJ-ZDUSSCGKSA-N 1 2 277.393 2.062 20 30 CEEDLO N#Cc1ccc2ncc(C[NH+]3CCC(F)(C#N)CC3)n2c1 ZINC000348701934 395148495 /nfs/dbraw/zinc/14/84/95/395148495.db2.gz DHEMKSGJLGBVFD-UHFFFAOYSA-N 1 2 283.310 2.034 20 30 CEEDLO N#CCC[N@@H+](Cc1ccc(-n2ccnc2)nc1)CC1CC1 ZINC000177265747 395149488 /nfs/dbraw/zinc/14/94/88/395149488.db2.gz YABUNWOCNDKBSP-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO N#CCC[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1CC1 ZINC000177265747 395149491 /nfs/dbraw/zinc/14/94/91/395149491.db2.gz YABUNWOCNDKBSP-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293258935 395226258 /nfs/dbraw/zinc/22/62/58/395226258.db2.gz UJDKWESRWNFSOY-UHFFFAOYSA-N 1 2 295.726 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ZINC000570202213 395581468 /nfs/dbraw/zinc/58/14/68/395581468.db2.gz DLOKKKOUBCTIDW-IUODEOHRSA-N 1 2 289.354 2.381 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)C[NH+]1CC(C)(C)C1 ZINC000570525084 395582344 /nfs/dbraw/zinc/58/23/44/395582344.db2.gz HCIAXSIPSHYCGP-UHFFFAOYSA-N 1 2 265.401 2.117 20 30 CEEDLO Cc1cc(C[NH+]2CC(OCC(F)F)C2)ccc1C#N ZINC000459599718 395666329 /nfs/dbraw/zinc/66/63/29/395666329.db2.gz ZNLNFRHNBPQAJE-UHFFFAOYSA-N 1 2 266.291 2.333 20 30 CEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459799984 395666742 /nfs/dbraw/zinc/66/67/42/395666742.db2.gz WCFIAKHTOYAWGL-NSHDSACASA-N 1 2 270.336 2.151 20 30 CEEDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1C#N ZINC000488006929 395667868 /nfs/dbraw/zinc/66/78/68/395667868.db2.gz HEQUURHDRLXLHL-DLBZAZTESA-N 1 2 298.386 2.437 20 30 CEEDLO Cc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1C#N ZINC000488006929 395667869 /nfs/dbraw/zinc/66/78/69/395667869.db2.gz HEQUURHDRLXLHL-DLBZAZTESA-N 1 2 298.386 2.437 20 30 CEEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488196287 395668120 /nfs/dbraw/zinc/66/81/20/395668120.db2.gz GRFLTXYBXUJIAT-LBPRGKRZSA-N 1 2 260.337 2.250 20 30 CEEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488196287 395668121 /nfs/dbraw/zinc/66/81/21/395668121.db2.gz GRFLTXYBXUJIAT-LBPRGKRZSA-N 1 2 260.337 2.250 20 30 CEEDLO C=C(C)C[NH+]1CCC(Nc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000647450017 395713670 /nfs/dbraw/zinc/71/36/70/395713670.db2.gz ZISHPOZKKTXRJM-UHFFFAOYSA-N 1 2 275.352 2.232 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000649241743 396100256 /nfs/dbraw/zinc/10/02/56/396100256.db2.gz MNQVCBNVKRMQGZ-CQSZACIVSA-N 1 2 287.363 2.094 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000649241743 396100258 /nfs/dbraw/zinc/10/02/58/396100258.db2.gz MNQVCBNVKRMQGZ-CQSZACIVSA-N 1 2 287.363 2.094 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000649281337 396111602 /nfs/dbraw/zinc/11/16/02/396111602.db2.gz RILKJJBYFGJBIZ-LSDHHAIUSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000649281337 396111605 /nfs/dbraw/zinc/11/16/05/396111605.db2.gz RILKJJBYFGJBIZ-LSDHHAIUSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000649281325 396112186 /nfs/dbraw/zinc/11/21/86/396112186.db2.gz IUEVOWMOSOGIFF-LSDHHAIUSA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000649281325 396112190 /nfs/dbraw/zinc/11/21/90/396112190.db2.gz IUEVOWMOSOGIFF-LSDHHAIUSA-N 1 2 265.328 2.136 20 30 CEEDLO C=CCOc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000646257714 396322886 /nfs/dbraw/zinc/32/28/86/396322886.db2.gz FFKMGLFHEJHWFK-UHFFFAOYSA-N 1 2 283.331 2.173 20 30 CEEDLO C=CCOc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000646257714 396322888 /nfs/dbraw/zinc/32/28/88/396322888.db2.gz FFKMGLFHEJHWFK-UHFFFAOYSA-N 1 2 283.331 2.173 20 30 CEEDLO N#Cc1ccc(NCc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000360351395 155278420 /nfs/dbraw/zinc/27/84/20/155278420.db2.gz GWQHDTBWOCRBDV-UHFFFAOYSA-N 1 2 275.315 2.173 20 30 CEEDLO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000354727777 154345976 /nfs/dbraw/zinc/34/59/76/154345976.db2.gz HGFYDHNHEJCWJY-KBRIMQKVSA-N 1 2 286.375 2.499 20 30 CEEDLO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000354727777 154345982 /nfs/dbraw/zinc/34/59/82/154345982.db2.gz HGFYDHNHEJCWJY-KBRIMQKVSA-N 1 2 286.375 2.499 20 30 CEEDLO CC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(C)nn(C)c1C ZINC000359730267 155122905 /nfs/dbraw/zinc/12/29/05/155122905.db2.gz LNIYTDAQIWAFMH-OAHLLOKOSA-N 1 2 285.395 2.488 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000375227553 157066167 /nfs/dbraw/zinc/06/61/67/157066167.db2.gz CIRRKHRPSUGOLK-HOTGVXAUSA-N 1 2 284.359 2.128 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000375227553 157066169 /nfs/dbraw/zinc/06/61/69/157066169.db2.gz CIRRKHRPSUGOLK-HOTGVXAUSA-N 1 2 284.359 2.128 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376003045 157173508 /nfs/dbraw/zinc/17/35/08/157173508.db2.gz HUAPCARUVDFUIA-CYBMUJFWSA-N 1 2 297.314 2.148 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(F)c2)nn1 ZINC000657300921 414842127 /nfs/dbraw/zinc/84/21/27/414842127.db2.gz PEVXARVDDCFELK-UHFFFAOYSA-N 1 2 260.316 2.283 20 30 CEEDLO C=CCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000660860765 415011817 /nfs/dbraw/zinc/01/18/17/415011817.db2.gz MCZFTPRWSBUWMV-ZDUSSCGKSA-N 1 2 297.349 2.443 20 30 CEEDLO C=C[C@@H](C)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654883915 415050029 /nfs/dbraw/zinc/05/00/29/415050029.db2.gz SHHNBMWUSHTWJK-RKDXNWHRSA-N 1 2 275.274 2.147 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)nn1 ZINC000653678671 415072481 /nfs/dbraw/zinc/07/24/81/415072481.db2.gz WHEUWVWROSLRRM-CABCVRRESA-N 1 2 290.411 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)nn1 ZINC000653678671 415072486 /nfs/dbraw/zinc/07/24/86/415072486.db2.gz WHEUWVWROSLRRM-CABCVRRESA-N 1 2 290.411 2.244 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000661043424 415073839 /nfs/dbraw/zinc/07/38/39/415073839.db2.gz BUFIBCOLJLQBMI-UONOGXRCSA-N 1 2 288.395 2.196 20 30 CEEDLO C=CCC[C@H](O)C[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653810335 415111752 /nfs/dbraw/zinc/11/17/52/415111752.db2.gz ZHWAOAAEBOQOEQ-AWEZNQCLSA-N 1 2 254.418 2.120 20 30 CEEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1C ZINC000661150794 415113155 /nfs/dbraw/zinc/11/31/55/415113155.db2.gz RPZCRCDALHLEAU-CQSZACIVSA-N 1 2 273.380 2.450 20 30 CEEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1C ZINC000661150794 415113160 /nfs/dbraw/zinc/11/31/60/415113160.db2.gz RPZCRCDALHLEAU-CQSZACIVSA-N 1 2 273.380 2.450 20 30 CEEDLO C=CCC[C@@H](O)C[NH+]1CCN(C(C)(C)CC)CC1 ZINC000653810336 415113234 /nfs/dbraw/zinc/11/32/34/415113234.db2.gz ZHWAOAAEBOQOEQ-CQSZACIVSA-N 1 2 254.418 2.120 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(COC)n2)C1 ZINC000661383282 415236991 /nfs/dbraw/zinc/23/69/91/415236991.db2.gz ZPOQSCRVEJNXCH-LLVKDONJSA-N 1 2 251.330 2.004 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(COC)n2)C1 ZINC000661383282 415236995 /nfs/dbraw/zinc/23/69/95/415236995.db2.gz ZPOQSCRVEJNXCH-LLVKDONJSA-N 1 2 251.330 2.004 20 30 CEEDLO C=CC[C@@H]1CCCN(c2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000664253659 415244621 /nfs/dbraw/zinc/24/46/21/415244621.db2.gz QGUHKVJBONZNIG-QWHCGFSZSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CC[C@@H]1CCCN(c2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000664253659 415244627 /nfs/dbraw/zinc/24/46/27/415244627.db2.gz QGUHKVJBONZNIG-QWHCGFSZSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CCCn1cc(CSc2nc(N)cc(CC)[nH+]2)nn1 ZINC000655502091 415310294 /nfs/dbraw/zinc/31/02/94/415310294.db2.gz ZMBTUIJRXZMRAY-UHFFFAOYSA-N 1 2 290.396 2.081 20 30 CEEDLO C=CCOCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000664385461 415314119 /nfs/dbraw/zinc/31/41/19/415314119.db2.gz JEIRPXLRHVUFRK-UHFFFAOYSA-N 1 2 262.357 2.081 20 30 CEEDLO C=CCOCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000664385461 415314127 /nfs/dbraw/zinc/31/41/27/415314127.db2.gz JEIRPXLRHVUFRK-UHFFFAOYSA-N 1 2 262.357 2.081 20 30 CEEDLO C[C@@H]1C[NH+](CCOc2ccc(C#N)cc2)C[C@@H](C)C1=O ZINC000661553268 415323729 /nfs/dbraw/zinc/32/37/29/415323729.db2.gz WSFRRMDOKOGJKK-CHWSQXEVSA-N 1 2 272.348 2.094 20 30 CEEDLO C=CCC1(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000664928137 415524913 /nfs/dbraw/zinc/52/49/13/415524913.db2.gz XXELMEPXWWVFLX-GFCCVEGCSA-N 1 2 288.395 2.455 20 30 CEEDLO C=CCC1(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000664928137 415524917 /nfs/dbraw/zinc/52/49/17/415524917.db2.gz XXELMEPXWWVFLX-GFCCVEGCSA-N 1 2 288.395 2.455 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665255636 415654517 /nfs/dbraw/zinc/65/45/17/415654517.db2.gz YKXVKFCAOHVWSI-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665255636 415654520 /nfs/dbraw/zinc/65/45/20/415654520.db2.gz YKXVKFCAOHVWSI-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO CC#CC[NH2+]Cc1cn(-c2cc(OC)ccc2Cl)nn1 ZINC000656451011 415708990 /nfs/dbraw/zinc/70/89/90/415708990.db2.gz GYROJOJSSCDBSI-UHFFFAOYSA-N 1 2 290.754 2.042 20 30 CEEDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1nc(C#N)cs1 ZINC000352796901 227231620 /nfs/dbraw/zinc/23/16/20/227231620.db2.gz LCIDWCPYIXLWDJ-SNVBAGLBSA-N 1 2 279.390 2.208 20 30 CEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330095547 228037890 /nfs/dbraw/zinc/03/78/90/228037890.db2.gz VRZGNIFZRZXQFO-SNPRPXQTSA-N 1 2 296.411 2.011 20 30 CEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330095547 228037892 /nfs/dbraw/zinc/03/78/92/228037892.db2.gz VRZGNIFZRZXQFO-SNPRPXQTSA-N 1 2 296.411 2.011 20 30 CEEDLO N#CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330312227 228135694 /nfs/dbraw/zinc/13/56/94/228135694.db2.gz ODNWKMSQRGFIGA-LLVKDONJSA-N 1 2 258.325 2.238 20 30 CEEDLO O=C(COC1CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330316144 228138979 /nfs/dbraw/zinc/13/89/79/228138979.db2.gz PVNIYNKUFDSXMX-NSHDSACASA-N 1 2 263.341 2.114 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000352087494 228181329 /nfs/dbraw/zinc/18/13/29/228181329.db2.gz NXJHROFQSSVBBF-DIFFPNOSSA-N 1 2 250.367 2.015 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000352087494 228181330 /nfs/dbraw/zinc/18/13/30/228181330.db2.gz NXJHROFQSSVBBF-DIFFPNOSSA-N 1 2 250.367 2.015 20 30 CEEDLO C=CCOc1ccc(CNc2nc[nH+]c3c2OCCN3)cc1 ZINC000665718863 419403836 /nfs/dbraw/zinc/40/38/36/419403836.db2.gz OJVSVTYLUIAVDX-UHFFFAOYSA-N 1 2 298.346 2.458 20 30 CEEDLO C=CCOc1ccc(CNc2[nH+]cnc3c2OCCN3)cc1 ZINC000665718863 419403842 /nfs/dbraw/zinc/40/38/42/419403842.db2.gz OJVSVTYLUIAVDX-UHFFFAOYSA-N 1 2 298.346 2.458 20 30 CEEDLO C=CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298606084 260159402 /nfs/dbraw/zinc/15/94/02/260159402.db2.gz BJFKCUHPTGWYNW-UHFFFAOYSA-N 1 2 274.368 2.057 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCc2noc(C(C)C)n2)cc1F ZINC000067098418 260250582 /nfs/dbraw/zinc/25/05/82/260250582.db2.gz RFZHXWUGBXTSOB-UHFFFAOYSA-N 1 2 292.314 2.478 20 30 CEEDLO C[C@H](CC(=O)N(C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000521050164 260265849 /nfs/dbraw/zinc/26/58/49/260265849.db2.gz BTFYIDJMKZYOJQ-CYBMUJFWSA-N 1 2 282.347 2.364 20 30 CEEDLO C=C(Cl)C[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363709211 260606877 /nfs/dbraw/zinc/60/68/77/260606877.db2.gz BVOZYMGAAQQZTP-NSHDSACASA-N 1 2 289.759 2.386 20 30 CEEDLO COc1cccc(/C=[NH+]/CCCO[C@H]2CCOC2)c1O ZINC000129352189 260835748 /nfs/dbraw/zinc/83/57/48/260835748.db2.gz PQMYLRWMVQWIOT-RKPNYOAGSA-N 1 2 279.336 2.015 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@@H](C#N)CCC#N)ccc1O ZINC000152965999 261072190 /nfs/dbraw/zinc/07/21/90/261072190.db2.gz JDQISICUTDJREQ-CYBMUJFWSA-N 1 2 273.336 2.276 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)ccc1O ZINC000152965999 261072192 /nfs/dbraw/zinc/07/21/92/261072192.db2.gz JDQISICUTDJREQ-CYBMUJFWSA-N 1 2 273.336 2.276 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000364435127 262239713 /nfs/dbraw/zinc/23/97/13/262239713.db2.gz KDAVYHDFMVKIRG-CQSZACIVSA-N 1 2 279.343 2.090 20 30 CEEDLO C=CC[C@@H](C)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365372455 262361834 /nfs/dbraw/zinc/36/18/34/262361834.db2.gz PSCXSVGMJPAFDK-KGLIPLIRSA-N 1 2 273.380 2.379 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365406134 262364228 /nfs/dbraw/zinc/36/42/28/262364228.db2.gz VUHCOCIWJAJNAT-CYBMUJFWSA-N 1 2 291.395 2.159 20 30 CEEDLO CC1(C#N)CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000272543278 263006158 /nfs/dbraw/zinc/00/61/58/263006158.db2.gz PPKGRASLMBGVDB-UHFFFAOYSA-N 1 2 295.346 2.033 20 30 CEEDLO Cn1c(C[NH+]2CCC(C)(C#N)CC2)nc2ccccc2c1=O ZINC000272556647 263006514 /nfs/dbraw/zinc/00/65/14/263006514.db2.gz LHFUWXUKCBZLDH-UHFFFAOYSA-N 1 2 296.374 2.059 20 30 CEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1[nH+]ccn1C ZINC000272681440 263008112 /nfs/dbraw/zinc/00/81/12/263008112.db2.gz NQHUNGHFFUNRSK-NSHDSACASA-N 1 2 299.334 2.033 20 30 CEEDLO COCCC(C)(C)C/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000273496708 263017447 /nfs/dbraw/zinc/01/74/47/263017447.db2.gz LQOKVJYBWNNRAG-LZYBPNLTSA-N 1 2 280.368 2.070 20 30 CEEDLO CCC(C)(C)C/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000277235515 263040502 /nfs/dbraw/zinc/04/05/02/263040502.db2.gz GHMAWVONNWUYAU-VIZOYTHASA-N 1 2 250.342 2.443 20 30 CEEDLO CC(C)(C#N)CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000278476216 263048244 /nfs/dbraw/zinc/04/82/44/263048244.db2.gz JGAYLTSIPMAXSQ-UHFFFAOYSA-N 1 2 286.379 2.238 20 30 CEEDLO COc1cc(CO[NH+]=C(N)[C@H]2CCCO2)ccc1SC ZINC000283850582 263084563 /nfs/dbraw/zinc/08/45/63/263084563.db2.gz BYBHHDKSEFYEAT-LLVKDONJSA-N 1 2 296.392 2.385 20 30 CEEDLO Cc1cc(CO[NH+]=C(N)[C@@H]2CCCO2)c(C)s1 ZINC000284104742 263085805 /nfs/dbraw/zinc/08/58/05/263085805.db2.gz LIGUGPGSMHVRRK-NSHDSACASA-N 1 2 254.355 2.333 20 30 CEEDLO CCc1cccc(OCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284565251 263087335 /nfs/dbraw/zinc/08/73/35/263087335.db2.gz WPSWNZSDAJUGJD-CQSZACIVSA-N 1 2 278.352 2.096 20 30 CEEDLO COc1ccccc1CCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284587313 263087543 /nfs/dbraw/zinc/08/75/43/263087543.db2.gz XTMGKXJQPHOCJF-CQSZACIVSA-N 1 2 278.352 2.096 20 30 CEEDLO C=CC[NH+](CC=C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000353481059 263088032 /nfs/dbraw/zinc/08/80/32/263088032.db2.gz QPYYCOOCRDYWFT-UHFFFAOYSA-N 1 2 258.325 2.141 20 30 CEEDLO COc1ccc(C(=O)CC[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000285892913 263096312 /nfs/dbraw/zinc/09/63/12/263096312.db2.gz GHWDYJKNDCAUKF-LBPRGKRZSA-N 1 2 260.337 2.359 20 30 CEEDLO COc1ccc(C(=O)CC[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000285892913 263096313 /nfs/dbraw/zinc/09/63/13/263096313.db2.gz GHWDYJKNDCAUKF-LBPRGKRZSA-N 1 2 260.337 2.359 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CC(COc2ccccc2)C1 ZINC000287058929 263100834 /nfs/dbraw/zinc/10/08/34/263100834.db2.gz APMGFSKYGZMOOQ-AWEZNQCLSA-N 1 2 269.348 2.441 20 30 CEEDLO NC(=[NH+]OCCOC1CCC1)c1ccc(F)c(F)c1 ZINC000288430014 263104361 /nfs/dbraw/zinc/10/43/61/263104361.db2.gz DEKWPLACVJDEDB-UHFFFAOYSA-N 1 2 270.279 2.171 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c(C#N)c1 ZINC000292137762 263128955 /nfs/dbraw/zinc/12/89/55/263128955.db2.gz JGPCUPSXXMTYRP-UHFFFAOYSA-N 1 2 255.321 2.469 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c(C#N)c1 ZINC000292137762 263128956 /nfs/dbraw/zinc/12/89/56/263128956.db2.gz JGPCUPSXXMTYRP-UHFFFAOYSA-N 1 2 255.321 2.469 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000293463607 263140957 /nfs/dbraw/zinc/14/09/57/263140957.db2.gz PSOQPFCOWPDOLC-AWEZNQCLSA-N 1 2 282.347 2.286 20 30 CEEDLO N#CCCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293613462 263144369 /nfs/dbraw/zinc/14/43/69/263144369.db2.gz GRUVGTRTEJLFFE-ZDUSSCGKSA-N 1 2 273.315 2.317 20 30 CEEDLO N#CCCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340472760 263163954 /nfs/dbraw/zinc/16/39/54/263163954.db2.gz BBHPUGWFRIBITA-AWEZNQCLSA-N 1 2 273.315 2.317 20 30 CEEDLO N#CCCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340472760 263163955 /nfs/dbraw/zinc/16/39/55/263163955.db2.gz BBHPUGWFRIBITA-AWEZNQCLSA-N 1 2 273.315 2.317 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1[nH+]ccn1CC ZINC000295546635 263179390 /nfs/dbraw/zinc/17/93/90/263179390.db2.gz DBNHBUFELRGQHB-CYBMUJFWSA-N 1 2 294.399 2.490 20 30 CEEDLO CN1C(=O)C[C@@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298584337 263222822 /nfs/dbraw/zinc/22/28/22/263222822.db2.gz RGQMPCPOOOENAV-OCCSQVGLSA-N 1 2 295.745 2.254 20 30 CEEDLO COC(=O)CCCCC/[NH+]=C/c1cccc(O)c1O ZINC000299255901 263236951 /nfs/dbraw/zinc/23/69/51/263236951.db2.gz CGCGYHLKYSACOG-XNTDXEJSSA-N 1 2 265.309 2.250 20 30 CEEDLO N#CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000299298987 263238121 /nfs/dbraw/zinc/23/81/21/263238121.db2.gz PMRZALRTJNAUHE-UHFFFAOYSA-N 1 2 280.331 2.060 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000341315735 263333796 /nfs/dbraw/zinc/33/37/96/263333796.db2.gz BRFCQHLGWXXWON-STQMWFEESA-N 1 2 261.369 2.338 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000341912701 263365897 /nfs/dbraw/zinc/36/58/97/263365897.db2.gz SDSSNBBUOOMWFV-UHFFFAOYSA-N 1 2 265.378 2.241 20 30 CEEDLO C=CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000341912701 263365900 /nfs/dbraw/zinc/36/59/00/263365900.db2.gz SDSSNBBUOOMWFV-UHFFFAOYSA-N 1 2 265.378 2.241 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341896847 263366452 /nfs/dbraw/zinc/36/64/52/263366452.db2.gz ZSUKWDLHCVSGAB-CYBMUJFWSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341896847 263366455 /nfs/dbraw/zinc/36/64/55/263366455.db2.gz ZSUKWDLHCVSGAB-CYBMUJFWSA-N 1 2 286.441 2.073 20 30 CEEDLO C=CCOc1cccnc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000342088082 263391596 /nfs/dbraw/zinc/39/15/96/263391596.db2.gz DGIYKYLURHBJOL-UHFFFAOYSA-N 1 2 269.304 2.024 20 30 CEEDLO Cc1occc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330618406 263996313 /nfs/dbraw/zinc/99/63/13/263996313.db2.gz HEJBJONZOMPEKU-GHMZBOCLSA-N 1 2 266.341 2.002 20 30 CEEDLO CCc1nc(NC(=O)N(C)Cc2[nH+]ccn2C)sc1C ZINC000330699567 264006794 /nfs/dbraw/zinc/00/67/94/264006794.db2.gz HPYNOQYIBRJZQR-UHFFFAOYSA-N 1 2 293.396 2.425 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000330868227 264058737 /nfs/dbraw/zinc/05/87/37/264058737.db2.gz YJLLOHVUXBLXKB-UMNHJUIQSA-N 1 2 292.770 2.344 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(C#N)c1 ZINC000330852414 264068750 /nfs/dbraw/zinc/06/87/50/264068750.db2.gz QRMOOICLXAMGJY-LNSITVRQSA-N 1 2 282.347 2.167 20 30 CEEDLO C=C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330923922 264094515 /nfs/dbraw/zinc/09/45/15/264094515.db2.gz DSYUJLJAIWHWAX-GFCCVEGCSA-N 1 2 274.368 2.129 20 30 CEEDLO C=C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330923923 264094841 /nfs/dbraw/zinc/09/48/41/264094841.db2.gz DSYUJLJAIWHWAX-LBPRGKRZSA-N 1 2 274.368 2.129 20 30 CEEDLO Cc1cc(C)c(NC(=O)NC[C@H](C)CCO)c(C)[nH+]1 ZINC000331250348 264181146 /nfs/dbraw/zinc/18/11/46/264181146.db2.gz YLXRDFQMHMSYNU-SECBINFHSA-N 1 2 265.357 2.351 20 30 CEEDLO COC(=O)c1sccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331320610 264188636 /nfs/dbraw/zinc/18/86/36/264188636.db2.gz DZOZSQKYKHQMOQ-ONGXEEELSA-N 1 2 264.350 2.317 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)CC[S@@](C)=O)c(C)[nH+]1 ZINC000331300998 264199053 /nfs/dbraw/zinc/19/90/53/264199053.db2.gz DYRMZGWGROGXFZ-CFMSYZGJSA-N 1 2 297.424 2.490 20 30 CEEDLO C=CCC1(C(=O)N[C@H](C)c2[nH+]ccn2CC)CCOCC1 ZINC000424870273 264257402 /nfs/dbraw/zinc/25/74/02/264257402.db2.gz KTBKWRWIAOXQSZ-CYBMUJFWSA-N 1 2 291.395 2.453 20 30 CEEDLO C=CC(C)(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000294248804 265016800 /nfs/dbraw/zinc/01/68/00/265016800.db2.gz CAMSRMLTLARKML-UHFFFAOYSA-N 1 2 257.337 2.205 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335802814 265210632 /nfs/dbraw/zinc/21/06/32/265210632.db2.gz KPNAAMOOERGACV-UKRRQHHQSA-N 1 2 289.379 2.097 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335802814 265210633 /nfs/dbraw/zinc/21/06/33/265210633.db2.gz KPNAAMOOERGACV-UKRRQHHQSA-N 1 2 289.379 2.097 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356781611 266174244 /nfs/dbraw/zinc/17/42/44/266174244.db2.gz TXOMXXSXQDTSSM-RYUDHWBXSA-N 1 2 288.395 2.446 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356781611 266174246 /nfs/dbraw/zinc/17/42/46/266174246.db2.gz TXOMXXSXQDTSSM-RYUDHWBXSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000357651723 266340581 /nfs/dbraw/zinc/34/05/81/266340581.db2.gz CWBZJOWHFWQGRW-ZDUSSCGKSA-N 1 2 276.384 2.038 20 30 CEEDLO C=CCN(CC=C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357803616 266368318 /nfs/dbraw/zinc/36/83/18/266368318.db2.gz PNMFGEFHDDODFT-ZDUSSCGKSA-N 1 2 274.368 2.255 20 30 CEEDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000433183445 266930975 /nfs/dbraw/zinc/93/09/75/266930975.db2.gz RRJKTCGYZPZPNA-OAHLLOKOSA-N 1 2 296.798 2.429 20 30 CEEDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000433183445 266930978 /nfs/dbraw/zinc/93/09/78/266930978.db2.gz RRJKTCGYZPZPNA-OAHLLOKOSA-N 1 2 296.798 2.429 20 30 CEEDLO CCCc1ncc(CNc2cc(C)[nH+]cc2C#N)o1 ZINC000425268748 267042945 /nfs/dbraw/zinc/04/29/45/267042945.db2.gz PQYSMPXYZLVRDT-UHFFFAOYSA-N 1 2 256.309 2.236 20 30 CEEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000399955226 267166841 /nfs/dbraw/zinc/16/68/41/267166841.db2.gz KDDVJVTTWBWQKW-MLCYQJTMSA-N 1 2 284.812 2.410 20 30 CEEDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000399955226 267166838 /nfs/dbraw/zinc/16/68/38/267166838.db2.gz KDDVJVTTWBWQKW-MLCYQJTMSA-N 1 2 284.812 2.410 20 30 CEEDLO CC[C@H](F)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000440714731 267215530 /nfs/dbraw/zinc/21/55/30/267215530.db2.gz PGSPZHIWABWBOS-AWEZNQCLSA-N 1 2 261.344 2.428 20 30 CEEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)c(C)c1)C(=O)OC ZINC000428298915 267238262 /nfs/dbraw/zinc/23/82/62/267238262.db2.gz CTVRTTFIUIZGEV-HNNXBMFYSA-N 1 2 260.337 2.298 20 30 CEEDLO CN(C)c1ccc(CNC(=O)c2cc(C#N)cs2)c[nH+]1 ZINC000438269282 267292589 /nfs/dbraw/zinc/29/25/89/267292589.db2.gz HRGLAXDNCLESQO-UHFFFAOYSA-N 1 2 286.360 2.011 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000459382785 267311065 /nfs/dbraw/zinc/31/10/65/267311065.db2.gz XBZLUQIQLGGDQN-NSHDSACASA-N 1 2 277.349 2.404 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000459382785 267311066 /nfs/dbraw/zinc/31/10/66/267311066.db2.gz XBZLUQIQLGGDQN-NSHDSACASA-N 1 2 277.349 2.404 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000459459168 267312144 /nfs/dbraw/zinc/31/21/44/267312144.db2.gz HPAVFYWOCNERBN-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000459459168 267312147 /nfs/dbraw/zinc/31/21/47/267312147.db2.gz HPAVFYWOCNERBN-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO C=CCCCCCN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000373226293 267652325 /nfs/dbraw/zinc/65/23/25/267652325.db2.gz HLCCQAHKXUSTFN-UHFFFAOYSA-N 1 2 293.455 2.149 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000439435864 268222456 /nfs/dbraw/zinc/22/24/56/268222456.db2.gz HKRCEMMPYVQDRV-OAHLLOKOSA-N 1 2 292.766 2.203 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000439435864 268222458 /nfs/dbraw/zinc/22/24/58/268222458.db2.gz HKRCEMMPYVQDRV-OAHLLOKOSA-N 1 2 292.766 2.203 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000446842934 268233061 /nfs/dbraw/zinc/23/30/61/268233061.db2.gz IVNDCHFHNZGYFV-UHFFFAOYSA-N 1 2 297.274 2.226 20 30 CEEDLO Cc1cc(N2CCCN(CC(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000425203411 271138214 /nfs/dbraw/zinc/13/82/14/271138214.db2.gz FLPSHJWLMJHENU-UHFFFAOYSA-N 1 2 298.312 2.336 20 30 CEEDLO CO[C@H](CNc1cc(C)[nH+]cc1C#N)c1ccccc1 ZINC000425202926 271138612 /nfs/dbraw/zinc/13/86/12/271138612.db2.gz DKZBOWMAPNPTCQ-MRXNPFEDSA-N 1 2 267.332 2.483 20 30 CEEDLO CCc1ccnc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425259456 271148369 /nfs/dbraw/zinc/14/83/69/271148369.db2.gz LZQXWGADMKMTLK-UHFFFAOYSA-N 1 2 252.321 2.253 20 30 CEEDLO Cc1cc(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425263834 271148856 /nfs/dbraw/zinc/14/88/56/271148856.db2.gz VGPHULZVJWVHGZ-MFKMUULPSA-N 1 2 299.296 2.401 20 30 CEEDLO CC(C)(C)[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330179838 277232510 /nfs/dbraw/zinc/23/25/10/277232510.db2.gz FNOJDTUTYODRIW-OLZOCXBDSA-N 1 2 290.411 2.480 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CC(F)C1)C2 ZINC000329763285 277270570 /nfs/dbraw/zinc/27/05/70/277270570.db2.gz UIIVTYAARROEPM-NSHDSACASA-N 1 2 294.374 2.063 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480517 277770443 /nfs/dbraw/zinc/77/04/43/277770443.db2.gz CTYBNMCCEZMAQW-CYBMUJFWSA-N 1 2 281.375 2.127 20 30 CEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1OCCc2ccccc21 ZINC000330290844 279715828 /nfs/dbraw/zinc/71/58/28/279715828.db2.gz CNQZPYVRHIVWHX-CZUORRHYSA-N 1 2 297.358 2.468 20 30 CEEDLO N#Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)[nH]1 ZINC000138496410 280071702 /nfs/dbraw/zinc/07/17/02/280071702.db2.gz PKOCKWZCOBZPEQ-UHFFFAOYSA-N 1 2 291.314 2.002 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1cccc(F)c1C#N)CC2 ZINC000371709397 292853379 /nfs/dbraw/zinc/85/33/79/292853379.db2.gz VGIFSXMWNJPDCA-UHFFFAOYSA-N 1 2 256.284 2.223 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1O ZINC000188401247 294897122 /nfs/dbraw/zinc/89/71/22/294897122.db2.gz FHRMNLJJBYIVQW-ZDUSSCGKSA-N 1 2 296.330 2.354 20 30 CEEDLO C[C@@H](c1ccccn1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000160041220 297432371 /nfs/dbraw/zinc/43/23/71/297432371.db2.gz LCMNATXPOHSHLN-AWEZNQCLSA-N 1 2 293.374 2.231 20 30 CEEDLO Cc1cc(C#N)nc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000373938261 301078233 /nfs/dbraw/zinc/07/82/33/301078233.db2.gz LSOMCXWXRSZIKS-GFCCVEGCSA-N 1 2 268.324 2.111 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(C#N)cn1 ZINC000574169019 314193981 /nfs/dbraw/zinc/19/39/81/314193981.db2.gz XFMXQCVJWVDJJN-UHFFFAOYSA-N 1 2 281.363 2.118 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000874900337 649865237 /nfs/dbraw/zinc/86/52/37/649865237.db2.gz FIOOPBHUQYVSNN-NSHDSACASA-N 1 2 298.321 2.403 20 30 CEEDLO Cc1cccn2cc(CNC(=O)C3(C#N)CC(C)C3)[nH+]c12 ZINC000531807963 328037799 /nfs/dbraw/zinc/03/77/99/328037799.db2.gz XMVGEQVLWFYRCO-UHFFFAOYSA-N 1 2 282.347 2.199 20 30 CEEDLO N#CCSCCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000563367309 328059883 /nfs/dbraw/zinc/05/98/83/328059883.db2.gz NSWHYYXRFDGASG-UHFFFAOYSA-N 1 2 275.377 2.088 20 30 CEEDLO N#CCSCCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000563367309 328059884 /nfs/dbraw/zinc/05/98/84/328059884.db2.gz NSWHYYXRFDGASG-UHFFFAOYSA-N 1 2 275.377 2.088 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000565168286 328072323 /nfs/dbraw/zinc/07/23/23/328072323.db2.gz CMMUEYZGWVUNID-MNOVXSKESA-N 1 2 270.336 2.416 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1sccc1C1CC1 ZINC000571526574 328131773 /nfs/dbraw/zinc/13/17/73/328131773.db2.gz IPAFUSMRJVOTJH-CQSZACIVSA-N 1 2 277.393 2.199 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000281008119 328238007 /nfs/dbraw/zinc/23/80/07/328238007.db2.gz NZLRHKFACFWUQP-VZWMTCDZSA-N 1 2 290.363 2.078 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@]1(C#N)CC1(C)C ZINC000291525244 328264288 /nfs/dbraw/zinc/26/42/88/328264288.db2.gz YVDHYLVQAKCMRG-KRWDZBQOSA-N 1 2 296.374 2.407 20 30 CEEDLO CC(C)CCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582907323 329286594 /nfs/dbraw/zinc/28/65/94/329286594.db2.gz AQEHXEKQFIVIDI-AWEZNQCLSA-N 1 2 253.390 2.163 20 30 CEEDLO C=C(Br)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281809017 328503492 /nfs/dbraw/zinc/50/34/92/328503492.db2.gz VXTALPQOJNRRCX-CYBMUJFWSA-N 1 2 298.180 2.155 20 30 CEEDLO CC(C)(C#N)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000558644189 327111873 /nfs/dbraw/zinc/11/18/73/327111873.db2.gz NWHJPVWEOWPPKU-UHFFFAOYSA-N 1 2 268.320 2.323 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000560326736 327299404 /nfs/dbraw/zinc/29/94/04/327299404.db2.gz PNUUCCWWHQSKAM-BXUZGUMPSA-N 1 2 275.352 2.139 20 30 CEEDLO COCCOc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000560360608 327302393 /nfs/dbraw/zinc/30/23/93/327302393.db2.gz LDHNYISGJAYIJM-AWEZNQCLSA-N 1 2 287.363 2.245 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)cc1F ZINC000579489555 327379376 /nfs/dbraw/zinc/37/93/76/327379376.db2.gz XGEDPPCDOGXQSW-NSHDSACASA-N 1 2 263.316 2.355 20 30 CEEDLO C=CCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000372554990 328965475 /nfs/dbraw/zinc/96/54/75/328965475.db2.gz XYNJTGMQQXADJV-UHFFFAOYSA-N 1 2 259.353 2.133 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000582369002 328972108 /nfs/dbraw/zinc/97/21/08/328972108.db2.gz YABVREBJZPJEDB-HNNXBMFYSA-N 1 2 285.391 2.464 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000377501695 329016901 /nfs/dbraw/zinc/01/69/01/329016901.db2.gz XEBQKWUEPZTWKW-CHWSQXEVSA-N 1 2 287.367 2.255 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000377501695 329016903 /nfs/dbraw/zinc/01/69/03/329016903.db2.gz XEBQKWUEPZTWKW-CHWSQXEVSA-N 1 2 287.367 2.255 20 30 CEEDLO CO/N=C/C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000377630435 329021820 /nfs/dbraw/zinc/02/18/20/329021820.db2.gz RLMFCAMBDPTPMM-GIJQJNRQSA-N 1 2 296.330 2.173 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000377699576 329025529 /nfs/dbraw/zinc/02/55/29/329025529.db2.gz LOKBCJPZGXCZAB-SFHVURJKSA-N 1 2 290.366 2.341 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000377699576 329025530 /nfs/dbraw/zinc/02/55/30/329025530.db2.gz LOKBCJPZGXCZAB-SFHVURJKSA-N 1 2 290.366 2.341 20 30 CEEDLO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCC1 ZINC000378028768 329037539 /nfs/dbraw/zinc/03/75/39/329037539.db2.gz TVQUHJGIIOCBQI-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO CC#CC[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000172781481 329138820 /nfs/dbraw/zinc/13/88/20/329138820.db2.gz YGRUJJLTKRUMKG-HNNXBMFYSA-N 1 2 272.392 2.397 20 30 CEEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cn(-c2ccccc2)nn1 ZINC000178070732 329192278 /nfs/dbraw/zinc/19/22/78/329192278.db2.gz LMEHFHAOPIXHRZ-KGLIPLIRSA-N 1 2 294.362 2.361 20 30 CEEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000181314828 329231038 /nfs/dbraw/zinc/23/10/38/329231038.db2.gz ALBMKYQAEDTHLW-UHFFFAOYSA-N 1 2 268.386 2.108 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000181314828 329231039 /nfs/dbraw/zinc/23/10/39/329231039.db2.gz ALBMKYQAEDTHLW-UHFFFAOYSA-N 1 2 268.386 2.108 20 30 CEEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000185925178 329332832 /nfs/dbraw/zinc/33/28/32/329332832.db2.gz ILBYTHVUHNMFPW-INIZCTEOSA-N 1 2 290.794 2.421 20 30 CEEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000185925178 329332834 /nfs/dbraw/zinc/33/28/34/329332834.db2.gz ILBYTHVUHNMFPW-INIZCTEOSA-N 1 2 290.794 2.421 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186060312 329336845 /nfs/dbraw/zinc/33/68/45/329336845.db2.gz ORHYJNFKIZOKPF-UHFFFAOYSA-N 1 2 285.391 2.170 20 30 CEEDLO C=CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000583820421 329483372 /nfs/dbraw/zinc/48/33/72/329483372.db2.gz DBZDJQATVHWYTB-UHFFFAOYSA-N 1 2 285.351 2.139 20 30 CEEDLO CC[C@@H](C#N)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000123647550 329560947 /nfs/dbraw/zinc/56/09/47/329560947.db2.gz OVGYDUNFDNXNBS-LBPRGKRZSA-N 1 2 268.320 2.213 20 30 CEEDLO CC[C@H](C#N)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000123647773 329560978 /nfs/dbraw/zinc/56/09/78/329560978.db2.gz OVGYDUNFDNXNBS-GFCCVEGCSA-N 1 2 268.320 2.213 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(F)c2O)n1 ZINC000279457229 330123304 /nfs/dbraw/zinc/12/33/04/330123304.db2.gz TZLNYJUROVCWFG-UHFFFAOYSA-N 1 2 287.338 2.383 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(F)c2O)n1 ZINC000279457229 330123306 /nfs/dbraw/zinc/12/33/06/330123306.db2.gz TZLNYJUROVCWFG-UHFFFAOYSA-N 1 2 287.338 2.383 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000580461676 330142149 /nfs/dbraw/zinc/14/21/49/330142149.db2.gz CCNRXUSHMMCLQJ-NSHDSACASA-N 1 2 250.298 2.157 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000527952702 330294491 /nfs/dbraw/zinc/29/44/91/330294491.db2.gz NOTSNSRTZWSWSD-UHFFFAOYSA-N 1 2 274.368 2.094 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cc(Cl)cs2)nn1 ZINC000424174042 330313719 /nfs/dbraw/zinc/31/37/19/330313719.db2.gz QURQPOFPFULLPF-UHFFFAOYSA-N 1 2 268.773 2.469 20 30 CEEDLO CC[N@@H+](Cc1cc(CO)ccc1F)C[C@@H](C)C#N ZINC000528363108 330321762 /nfs/dbraw/zinc/32/17/62/330321762.db2.gz CZNJDXQNDJOHSO-NSHDSACASA-N 1 2 250.317 2.300 20 30 CEEDLO CC[N@H+](Cc1cc(CO)ccc1F)C[C@@H](C)C#N ZINC000528363108 330321763 /nfs/dbraw/zinc/32/17/63/330321763.db2.gz CZNJDXQNDJOHSO-NSHDSACASA-N 1 2 250.317 2.300 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](CCC)c2ccccn2)nn1 ZINC000424290964 330334797 /nfs/dbraw/zinc/33/47/97/330334797.db2.gz CWZAWMPFKXLXAY-AWEZNQCLSA-N 1 2 271.368 2.490 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000424564884 330378540 /nfs/dbraw/zinc/37/85/40/330378540.db2.gz PRQQQYXORMTLHM-UHFFFAOYSA-N 1 2 287.407 2.328 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@@H](CC)C1CCCC1)C(=O)OC ZINC000449297548 330912627 /nfs/dbraw/zinc/91/26/27/330912627.db2.gz DHFDMQXHVQECRC-UONOGXRCSA-N 1 2 269.385 2.289 20 30 CEEDLO Cc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)ncn1 ZINC000580508705 330962590 /nfs/dbraw/zinc/96/25/90/330962590.db2.gz DYJFHPQFPSAIJD-UHFFFAOYSA-N 1 2 293.374 2.237 20 30 CEEDLO C=CCC[C@H](CO)Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000450893992 331005448 /nfs/dbraw/zinc/00/54/48/331005448.db2.gz IHJFKNYGISPVBG-UONOGXRCSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CCC[C@H](CO)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000450893992 331005449 /nfs/dbraw/zinc/00/54/49/331005449.db2.gz IHJFKNYGISPVBG-UONOGXRCSA-N 1 2 290.411 2.452 20 30 CEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC2(C#N)CCC2)C1 ZINC000451883228 331046092 /nfs/dbraw/zinc/04/60/92/331046092.db2.gz UBQXAKZVKBMLMJ-LBPRGKRZSA-N 1 2 289.345 2.496 20 30 CEEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000451883228 331046093 /nfs/dbraw/zinc/04/60/93/331046093.db2.gz UBQXAKZVKBMLMJ-LBPRGKRZSA-N 1 2 289.345 2.496 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456122144 331184865 /nfs/dbraw/zinc/18/48/65/331184865.db2.gz YXCLYALUDMRQMQ-KBPBESRZSA-N 1 2 282.428 2.204 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456122144 331184866 /nfs/dbraw/zinc/18/48/66/331184866.db2.gz YXCLYALUDMRQMQ-KBPBESRZSA-N 1 2 282.428 2.204 20 30 CEEDLO C=CCOCCCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457315919 331218925 /nfs/dbraw/zinc/21/89/25/331218925.db2.gz PBNULBNACSIGMJ-UHFFFAOYSA-N 1 2 283.397 2.126 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459002740 331265790 /nfs/dbraw/zinc/26/57/90/331265790.db2.gz OAKXVQBEXWZBKK-UHFFFAOYSA-N 1 2 262.357 2.196 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000488781355 332025481 /nfs/dbraw/zinc/02/54/81/332025481.db2.gz MEVWSKULVKLGNW-AWEZNQCLSA-N 1 2 296.374 2.078 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nc(C)cs1 ZINC000489397634 332050042 /nfs/dbraw/zinc/05/00/42/332050042.db2.gz FMYMGDUZVXOLER-LLVKDONJSA-N 1 2 265.382 2.431 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nc(C)cs1 ZINC000489397634 332050043 /nfs/dbraw/zinc/05/00/43/332050043.db2.gz FMYMGDUZVXOLER-LLVKDONJSA-N 1 2 265.382 2.431 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1nccs1 ZINC000489431916 332051916 /nfs/dbraw/zinc/05/19/16/332051916.db2.gz QTTQDTIEQMYTMW-LLVKDONJSA-N 1 2 265.382 2.146 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000489431916 332051917 /nfs/dbraw/zinc/05/19/17/332051917.db2.gz QTTQDTIEQMYTMW-LLVKDONJSA-N 1 2 265.382 2.146 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000490779778 332114982 /nfs/dbraw/zinc/11/49/82/332114982.db2.gz ZAOSBXSTVZRTSN-UHFFFAOYSA-N 1 2 266.304 2.063 20 30 CEEDLO C#CC[N@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000490779778 332114983 /nfs/dbraw/zinc/11/49/83/332114983.db2.gz ZAOSBXSTVZRTSN-UHFFFAOYSA-N 1 2 266.304 2.063 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000491325761 332189719 /nfs/dbraw/zinc/18/97/19/332189719.db2.gz GRTAXANRHOPYLS-NSHDSACASA-N 1 2 271.320 2.199 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000491325761 332189721 /nfs/dbraw/zinc/18/97/21/332189721.db2.gz GRTAXANRHOPYLS-NSHDSACASA-N 1 2 271.320 2.199 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000491566430 332239090 /nfs/dbraw/zinc/23/90/90/332239090.db2.gz GFGDNLSGARKTDL-CQSZACIVSA-N 1 2 298.390 2.446 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000491616895 332243906 /nfs/dbraw/zinc/24/39/06/332243906.db2.gz AKOIRTCZNIMSGG-DZGCQCFKSA-N 1 2 297.333 2.075 20 30 CEEDLO C#C[C@H](CCC)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491664183 332272717 /nfs/dbraw/zinc/27/27/17/332272717.db2.gz NPLNVCWUHUFIPH-CQSZACIVSA-N 1 2 267.332 2.404 20 30 CEEDLO C#C[C@@H](CC)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000491670917 332278073 /nfs/dbraw/zinc/27/80/73/332278073.db2.gz WADBJBDDMMQOPN-ZDUSSCGKSA-N 1 2 252.321 2.093 20 30 CEEDLO C#CC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000491751531 332327737 /nfs/dbraw/zinc/32/77/37/332327737.db2.gz UOSIVWWGVXYFLV-UHFFFAOYSA-N 1 2 283.125 2.422 20 30 CEEDLO C#CC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000491751531 332327738 /nfs/dbraw/zinc/32/77/38/332327738.db2.gz UOSIVWWGVXYFLV-UHFFFAOYSA-N 1 2 283.125 2.422 20 30 CEEDLO C#CCn1ccc(CN(CC)Cc2c[nH+]c3ccccn23)n1 ZINC000491785633 332348474 /nfs/dbraw/zinc/34/84/74/332348474.db2.gz SFVROXGKCJXSDD-UHFFFAOYSA-N 1 2 293.374 2.186 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000491803787 332357658 /nfs/dbraw/zinc/35/76/58/332357658.db2.gz KFVOYMXZWPGPHR-GFCCVEGCSA-N 1 2 257.312 2.465 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000491803787 332357659 /nfs/dbraw/zinc/35/76/59/332357659.db2.gz KFVOYMXZWPGPHR-GFCCVEGCSA-N 1 2 257.312 2.465 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000491804361 332358142 /nfs/dbraw/zinc/35/81/42/332358142.db2.gz LNEUZWXLPCZUPA-GFCCVEGCSA-N 1 2 274.389 2.079 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000491804361 332358143 /nfs/dbraw/zinc/35/81/43/332358143.db2.gz LNEUZWXLPCZUPA-GFCCVEGCSA-N 1 2 274.389 2.079 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C#N)CCCCC1 ZINC000492270403 332390111 /nfs/dbraw/zinc/39/01/11/332390111.db2.gz DWNREMSHMNXXMK-SREVYHEPSA-N 1 2 272.352 2.259 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc(OCC#N)c1 ZINC000492543072 332402501 /nfs/dbraw/zinc/40/25/01/332402501.db2.gz ZTTMHXKFYCKGGJ-VOTSOKGWSA-N 1 2 296.330 2.457 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492870230 332416987 /nfs/dbraw/zinc/41/69/87/332416987.db2.gz VQGHFYFDLGRWGJ-XUIVZRPNSA-N 1 2 282.303 2.352 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493061011 332424835 /nfs/dbraw/zinc/42/48/35/332424835.db2.gz NUPRKAIGLCHMKE-FVXJHOQFSA-N 1 2 289.379 2.014 20 30 CEEDLO C#CC[N@@H+](Cc1ncnn1CC(C)C)C1CCCC1 ZINC000182843552 333117932 /nfs/dbraw/zinc/11/79/32/333117932.db2.gz RQIVRLVXORILIJ-UHFFFAOYSA-N 1 2 260.385 2.312 20 30 CEEDLO C#CC[N@H+](Cc1ncnn1CC(C)C)C1CCCC1 ZINC000182843552 333117933 /nfs/dbraw/zinc/11/79/33/333117933.db2.gz RQIVRLVXORILIJ-UHFFFAOYSA-N 1 2 260.385 2.312 20 30 CEEDLO CC(C)(C#N)CCS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000575850302 335123421 /nfs/dbraw/zinc/12/34/21/335123421.db2.gz XLMAXVPVRYNRMV-UHFFFAOYSA-N 1 2 291.376 2.189 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000192226420 333232851 /nfs/dbraw/zinc/23/28/51/333232851.db2.gz VMHYEHLTVIRVJA-UONOGXRCSA-N 1 2 270.376 2.308 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000192226420 333232852 /nfs/dbraw/zinc/23/28/52/333232852.db2.gz VMHYEHLTVIRVJA-UONOGXRCSA-N 1 2 270.376 2.308 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000192232473 333233173 /nfs/dbraw/zinc/23/31/73/333233173.db2.gz RQRCDXKKBHAHAK-LLVKDONJSA-N 1 2 262.378 2.301 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000192232473 333233174 /nfs/dbraw/zinc/23/31/74/333233174.db2.gz RQRCDXKKBHAHAK-LLVKDONJSA-N 1 2 262.378 2.301 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)C#N ZINC000192246668 333233772 /nfs/dbraw/zinc/23/37/72/333233772.db2.gz QOHGWJOZBZAKCZ-UHFFFAOYSA-N 1 2 276.384 2.234 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000193994800 333263057 /nfs/dbraw/zinc/26/30/57/333263057.db2.gz VVGFEEFKWOJFQX-UHFFFAOYSA-N 1 2 252.317 2.343 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000193994800 333263058 /nfs/dbraw/zinc/26/30/58/333263058.db2.gz VVGFEEFKWOJFQX-UHFFFAOYSA-N 1 2 252.317 2.343 20 30 CEEDLO CCc1nn(C)c(OC)c1CNc1cc(CC#N)cc[nH+]1 ZINC000545219896 333970466 /nfs/dbraw/zinc/97/04/66/333970466.db2.gz KNDVSRNQZRGHEN-UHFFFAOYSA-N 1 2 285.351 2.064 20 30 CEEDLO C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249604197 334337877 /nfs/dbraw/zinc/33/78/77/334337877.db2.gz ZFKZSLMUUANBCW-SWLSCSKDSA-N 1 2 290.794 2.277 20 30 CEEDLO C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249604197 334337879 /nfs/dbraw/zinc/33/78/79/334337879.db2.gz ZFKZSLMUUANBCW-SWLSCSKDSA-N 1 2 290.794 2.277 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000565105936 334539054 /nfs/dbraw/zinc/53/90/54/334539054.db2.gz CBIXOYLVGABQTL-NSHDSACASA-N 1 2 265.357 2.051 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000565171231 334542454 /nfs/dbraw/zinc/54/24/54/334542454.db2.gz NDLPOHUMYKELJP-SNVBAGLBSA-N 1 2 278.356 2.192 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000565172778 334542861 /nfs/dbraw/zinc/54/28/61/334542861.db2.gz MSABNDHVERHRCV-GFCCVEGCSA-N 1 2 275.352 2.224 20 30 CEEDLO Cc1cccc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)oc21 ZINC000567995250 334782526 /nfs/dbraw/zinc/78/25/26/334782526.db2.gz FXOAAOARGIKXTG-INIZCTEOSA-N 1 2 285.347 2.315 20 30 CEEDLO CCC[C@@H]1CCC[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995847 334782708 /nfs/dbraw/zinc/78/27/08/334782708.db2.gz WWXWGDWFBVFYIV-UMVBOHGHSA-N 1 2 265.401 2.163 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)NCC3(C#N)CCC3)ccn12 ZINC000568227824 334806213 /nfs/dbraw/zinc/80/62/13/334806213.db2.gz DXWUEIIKZIHGFN-UHFFFAOYSA-N 1 2 268.320 2.066 20 30 CEEDLO N#CCC1(C[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000577117500 335303142 /nfs/dbraw/zinc/30/31/42/335303142.db2.gz VRVWHWRGBLLNLB-AWEZNQCLSA-N 1 2 285.326 2.317 20 30 CEEDLO C=CCC1(c2nc(Cc3c[nH+]cn3C)no2)CCOCC1 ZINC000351329991 335607088 /nfs/dbraw/zinc/60/70/88/335607088.db2.gz SHMNYWWHGYAEGD-UHFFFAOYSA-N 1 2 288.351 2.018 20 30 CEEDLO C[C@@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C[C@@H]1C ZINC000579248270 335727602 /nfs/dbraw/zinc/72/76/02/335727602.db2.gz NXHNOHIUUINXKL-UKTARXLSSA-N 1 2 265.401 2.019 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183840771 335909526 /nfs/dbraw/zinc/90/95/26/335909526.db2.gz ICAUZNPSGOLUJM-QMMMGPOBSA-N 1 2 253.689 2.497 20 30 CEEDLO C=CCCCCCNC(=O)NCCCn1cc[nH+]c1 ZINC000580722414 335959978 /nfs/dbraw/zinc/95/99/78/335959978.db2.gz LGXUGJDIIIWSIM-UHFFFAOYSA-N 1 2 264.373 2.319 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1sccc1C)C[C@H](C)C#N ZINC000098134557 500681182 /nfs/dbraw/zinc/68/11/82/500681182.db2.gz JLXZNHCMXFRNHT-LLVKDONJSA-N 1 2 279.409 2.154 20 30 CEEDLO CC[N@H+](CC(=O)NCc1sccc1C)C[C@H](C)C#N ZINC000098134557 500681186 /nfs/dbraw/zinc/68/11/86/500681186.db2.gz JLXZNHCMXFRNHT-LLVKDONJSA-N 1 2 279.409 2.154 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)N1CCc2ccccc21 ZINC000331685352 533985870 /nfs/dbraw/zinc/98/58/70/533985870.db2.gz UZQOVQGJDXRWJE-AEGPPILISA-N 1 2 283.375 2.246 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184600085 518594948 /nfs/dbraw/zinc/59/49/48/518594948.db2.gz GAVYBVLWOWYSMU-KGLIPLIRSA-N 1 2 294.395 2.370 20 30 CEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(C#N)CC1 ZINC000351923116 534386836 /nfs/dbraw/zinc/38/68/36/534386836.db2.gz PWDQMANYWJIOPB-UHFFFAOYSA-N 1 2 258.325 2.466 20 30 CEEDLO Cc1oc(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c(C#N)c1C ZINC000336622704 534547344 /nfs/dbraw/zinc/54/73/44/534547344.db2.gz CDHBLDUEECEYOD-RKDXNWHRSA-N 1 2 261.325 2.189 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCCC#N ZINC000355891950 534678252 /nfs/dbraw/zinc/67/82/52/534678252.db2.gz ATLFLVNUTVJHMJ-UHFFFAOYSA-N 1 2 270.336 2.155 20 30 CEEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(C#N)cc1C)C2 ZINC000164355142 525921162 /nfs/dbraw/zinc/92/11/62/525921162.db2.gz DPYUEKHDTIPLLL-AWEZNQCLSA-N 1 2 294.358 2.116 20 30 CEEDLO C=C(C)CN(Cc1ccc(CO)o1)Cc1c[nH+]cn1C ZINC000352819784 526559845 /nfs/dbraw/zinc/55/98/45/526559845.db2.gz XPJFXFNTLKIKRS-UHFFFAOYSA-N 1 2 275.352 2.084 20 30 CEEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000352293916 527639086 /nfs/dbraw/zinc/63/90/86/527639086.db2.gz OREKDUCGPUZZCL-HNNXBMFYSA-N 1 2 271.320 2.138 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@@H](C)C#N)C2 ZINC000355037319 528323598 /nfs/dbraw/zinc/32/35/98/528323598.db2.gz MAUYTLPNXCWLHB-NWDGAFQWSA-N 1 2 288.395 2.256 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@@H](C)C#N)CC2 ZINC000355037319 528323601 /nfs/dbraw/zinc/32/36/01/528323601.db2.gz MAUYTLPNXCWLHB-NWDGAFQWSA-N 1 2 288.395 2.256 20 30 CEEDLO CCOCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000357553073 528713293 /nfs/dbraw/zinc/71/32/93/528713293.db2.gz MVKKQDDZZGJMGL-UHFFFAOYSA-N 1 2 286.335 2.077 20 30 CEEDLO CCOCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000357553073 528713298 /nfs/dbraw/zinc/71/32/98/528713298.db2.gz MVKKQDDZZGJMGL-UHFFFAOYSA-N 1 2 286.335 2.077 20 30 CEEDLO CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)C[C@H](C)C#N ZINC000352101567 528879016 /nfs/dbraw/zinc/87/90/16/528879016.db2.gz ARBPHDVZQWRVBA-SNVBAGLBSA-N 1 2 274.290 2.427 20 30 CEEDLO CC[N@H+](Cc1cnn(CC(F)(F)F)c1)C[C@H](C)C#N ZINC000352101567 528879020 /nfs/dbraw/zinc/87/90/20/528879020.db2.gz ARBPHDVZQWRVBA-SNVBAGLBSA-N 1 2 274.290 2.427 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191543547 535644462 /nfs/dbraw/zinc/64/44/62/535644462.db2.gz YMEIXROYXQTBLW-HNNXBMFYSA-N 1 2 289.379 2.203 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191543547 535644468 /nfs/dbraw/zinc/64/44/68/535644468.db2.gz YMEIXROYXQTBLW-HNNXBMFYSA-N 1 2 289.379 2.203 20 30 CEEDLO C#CCCOc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000747622590 574428925 /nfs/dbraw/zinc/42/89/25/574428925.db2.gz SHQWKVBULDIOEG-UHFFFAOYSA-N 1 2 256.305 2.367 20 30 CEEDLO CCCNC(=S)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000727648794 574454009 /nfs/dbraw/zinc/45/40/09/574454009.db2.gz QXPTVEHNWNQCJB-UHFFFAOYSA-N 1 2 282.388 2.100 20 30 CEEDLO Cc1n[nH]cc1C=NNc1cc[nH+]c2ccccc12 ZINC000730146217 574502767 /nfs/dbraw/zinc/50/27/67/574502767.db2.gz KTPWMCWDBNNSKK-UHFFFAOYSA-N 1 2 251.293 2.134 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000730280094 574513305 /nfs/dbraw/zinc/51/33/05/574513305.db2.gz KVVOALCSEBUUOA-ZDUSSCGKSA-N 1 2 294.301 2.010 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000730280094 574513306 /nfs/dbraw/zinc/51/33/06/574513306.db2.gz KVVOALCSEBUUOA-ZDUSSCGKSA-N 1 2 294.301 2.010 20 30 CEEDLO COc1c(C)c[nH+]c(CNC[C@@H](C#N)CCC#N)c1C ZINC000732919614 574635800 /nfs/dbraw/zinc/63/58/00/574635800.db2.gz NPUSAUHHVCFFLD-CYBMUJFWSA-N 1 2 272.352 2.240 20 30 CEEDLO COc1c(C)cnc(C[NH2+]C[C@@H](C#N)CCC#N)c1C ZINC000732919614 574635802 /nfs/dbraw/zinc/63/58/02/574635802.db2.gz NPUSAUHHVCFFLD-CYBMUJFWSA-N 1 2 272.352 2.240 20 30 CEEDLO CCCC[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000734001906 574696509 /nfs/dbraw/zinc/69/65/09/574696509.db2.gz WLDBGHJUDSYQHC-MRXNPFEDSA-N 1 2 257.381 2.496 20 30 CEEDLO CCCC[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000734001906 574696514 /nfs/dbraw/zinc/69/65/14/574696514.db2.gz WLDBGHJUDSYQHC-MRXNPFEDSA-N 1 2 257.381 2.496 20 30 CEEDLO O=[N+]([O-])c1ccc(N=NCc2c[nH+]c3ccccn23)nc1 ZINC000755649937 574738787 /nfs/dbraw/zinc/73/87/87/574738787.db2.gz PLLHADXVDFWRGM-UHFFFAOYSA-N 1 2 282.263 2.084 20 30 CEEDLO CCn1cc[nH+]c1CN=Nc1cnnc2ccccc12 ZINC000755734880 574761759 /nfs/dbraw/zinc/76/17/59/574761759.db2.gz VTUISQNULLMMRR-UHFFFAOYSA-N 1 2 266.308 2.292 20 30 CEEDLO CC(C)[C@@H](C(=O)OCCCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000741028053 574975479 /nfs/dbraw/zinc/97/54/79/574975479.db2.gz WWWUVTMODDYPIH-ZNMIVQPWSA-N 1 2 296.411 2.357 20 30 CEEDLO CC(C)[C@@H](C(=O)OCCCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000741028053 574975480 /nfs/dbraw/zinc/97/54/80/574975480.db2.gz WWWUVTMODDYPIH-ZNMIVQPWSA-N 1 2 296.411 2.357 20 30 CEEDLO C=CCCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741351580 574983307 /nfs/dbraw/zinc/98/33/07/574983307.db2.gz FWCIBAZORHXXPV-INIZCTEOSA-N 1 2 289.375 2.397 20 30 CEEDLO C=CCCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741351580 574983309 /nfs/dbraw/zinc/98/33/09/574983309.db2.gz FWCIBAZORHXXPV-INIZCTEOSA-N 1 2 289.375 2.397 20 30 CEEDLO CCc1nnc([C@H](C)O[NH+]=C(N)c2ccc(OC)cc2)o1 ZINC000742355064 575016123 /nfs/dbraw/zinc/01/61/23/575016123.db2.gz SHHPJKYTNGWITH-VIFPVBQESA-N 1 2 290.323 2.039 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000742805838 575034279 /nfs/dbraw/zinc/03/42/79/575034279.db2.gz FFYYUSSEQZXPDB-NSHDSACASA-N 1 2 291.420 2.477 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000742805838 575034281 /nfs/dbraw/zinc/03/42/81/575034281.db2.gz FFYYUSSEQZXPDB-NSHDSACASA-N 1 2 291.420 2.477 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CCCCO)CC1 ZINC000746488762 575157350 /nfs/dbraw/zinc/15/73/50/575157350.db2.gz ZNAHUFZDBRNRQK-HNNXBMFYSA-N 1 2 287.407 2.009 20 30 CEEDLO O=C(C#Cc1ccccc1)NCC[NH+]1Cc2ccccc2C1 ZINC000747366572 575169827 /nfs/dbraw/zinc/16/98/27/575169827.db2.gz VQGQTVNVWHAJTH-UHFFFAOYSA-N 1 2 290.366 2.170 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)C#Cc3ccccc3)cn2c1 ZINC000747365276 575169846 /nfs/dbraw/zinc/16/98/46/575169846.db2.gz JJHVNQYORCXPPF-UHFFFAOYSA-N 1 2 289.338 2.311 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc2ccccc2n1 ZINC000747626450 575172668 /nfs/dbraw/zinc/17/26/68/575172668.db2.gz YSSVLTKUOZKBGK-UHFFFAOYSA-N 1 2 294.318 2.062 20 30 CEEDLO NC(=[NH+]OC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000747827680 575175634 /nfs/dbraw/zinc/17/56/34/575175634.db2.gz NVMUBDIFPNCVLU-SECBINFHSA-N 1 2 254.717 2.013 20 30 CEEDLO C=CCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000749208609 575209154 /nfs/dbraw/zinc/20/91/54/575209154.db2.gz SIOGJPFCADDRIX-UHFFFAOYSA-N 1 2 299.378 2.373 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(F)cc(F)c2)C1 ZINC000957360223 612991598 /nfs/dbraw/zinc/99/15/98/612991598.db2.gz BTGGGFOJCBHRJF-UHFFFAOYSA-N 1 2 292.329 2.134 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccoc2CC)C1 ZINC000949991341 612992597 /nfs/dbraw/zinc/99/25/97/612992597.db2.gz XWGOGESDVFTANU-UHFFFAOYSA-N 1 2 274.364 2.012 20 30 CEEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC000966261900 613222367 /nfs/dbraw/zinc/22/23/67/613222367.db2.gz IIWUPODSFBXEDI-ZYHUDNBSSA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC000966261900 613222370 /nfs/dbraw/zinc/22/23/70/613222370.db2.gz IIWUPODSFBXEDI-ZYHUDNBSSA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966261898 613250896 /nfs/dbraw/zinc/25/08/96/613250896.db2.gz IIWUPODSFBXEDI-JQWIXIFHSA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966261898 613250897 /nfs/dbraw/zinc/25/08/97/613250897.db2.gz IIWUPODSFBXEDI-JQWIXIFHSA-N 1 2 296.823 2.475 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncccc2Cl)C1 ZINC000957302532 613297789 /nfs/dbraw/zinc/29/77/89/613297789.db2.gz SEVFBIQVVVTZEA-UHFFFAOYSA-N 1 2 293.798 2.457 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 ZINC000950650084 613321047 /nfs/dbraw/zinc/32/10/47/613321047.db2.gz MPQCIHJAQMINOF-UHFFFAOYSA-N 1 2 292.354 2.168 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000949121436 613321375 /nfs/dbraw/zinc/32/13/75/613321375.db2.gz NBUQGZZGLRBQNV-UHFFFAOYSA-N 1 2 285.391 2.293 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnoc2C(C)C)CC1 ZINC000957041939 613321625 /nfs/dbraw/zinc/32/16/25/613321625.db2.gz HMULRUIEICZKEB-UHFFFAOYSA-N 1 2 277.368 2.132 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2sccc2OC)CC1 ZINC000957416366 613322241 /nfs/dbraw/zinc/32/22/41/613322241.db2.gz ARPWAHCAFHGLLE-UHFFFAOYSA-N 1 2 280.393 2.091 20 30 CEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000971107311 613370736 /nfs/dbraw/zinc/37/07/36/613370736.db2.gz YJQZNIQGERRQRH-LBPRGKRZSA-N 1 2 294.782 2.291 20 30 CEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000971107311 613370737 /nfs/dbraw/zinc/37/07/37/613370737.db2.gz YJQZNIQGERRQRH-LBPRGKRZSA-N 1 2 294.782 2.291 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(F)cn2)C1 ZINC000969530527 613371800 /nfs/dbraw/zinc/37/18/00/613371800.db2.gz SRFSGKAXQKTTJH-SNVBAGLBSA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CC(F)(F)C2)C1 ZINC000969468918 613371978 /nfs/dbraw/zinc/37/19/78/613371978.db2.gz CWSPQTVLMVMURC-VIFPVBQESA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc(C)c2)C1 ZINC000969541338 613372528 /nfs/dbraw/zinc/37/25/28/613372528.db2.gz BUKLEJJLZCBMEM-NSHDSACASA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672644 613375479 /nfs/dbraw/zinc/37/54/79/613375479.db2.gz FISJYHQPFATURX-RISCZKNCSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672644 613375480 /nfs/dbraw/zinc/37/54/80/613375480.db2.gz FISJYHQPFATURX-RISCZKNCSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC000972741869 613381024 /nfs/dbraw/zinc/38/10/24/613381024.db2.gz QGNMNBSMSNSGAC-LBPRGKRZSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC000972741869 613381025 /nfs/dbraw/zinc/38/10/25/613381025.db2.gz QGNMNBSMSNSGAC-LBPRGKRZSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc[nH]c2)C(C)(C)C1 ZINC000974621893 613381150 /nfs/dbraw/zinc/38/11/50/613381150.db2.gz PSRVEKZXJLTQNH-LBPRGKRZSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc[nH]c2)C(C)(C)C1 ZINC000974621893 613381151 /nfs/dbraw/zinc/38/11/51/613381151.db2.gz PSRVEKZXJLTQNH-LBPRGKRZSA-N 1 2 281.787 2.207 20 30 CEEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2scnc2C)C1 ZINC000949719891 613481716 /nfs/dbraw/zinc/48/17/16/613481716.db2.gz RYZPFSCWTVGPAI-UHFFFAOYSA-N 1 2 279.409 2.174 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000949311537 613707575 /nfs/dbraw/zinc/70/75/75/613707575.db2.gz NKRVECWDPSZLAF-UHFFFAOYSA-N 1 2 297.402 2.431 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(C(F)F)cc2)CC1 ZINC000949272127 613709474 /nfs/dbraw/zinc/70/94/74/613709474.db2.gz QNVDJYFCZIUNLW-UHFFFAOYSA-N 1 2 294.345 2.497 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](c2ccncc2)C(C)C)CC1 ZINC000949858712 613710376 /nfs/dbraw/zinc/71/03/76/613710376.db2.gz AXZFELNHEPLACY-MRXNPFEDSA-N 1 2 287.407 2.151 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000950495844 613715422 /nfs/dbraw/zinc/71/54/22/613715422.db2.gz WOKAGKFXCBPPEY-UHFFFAOYSA-N 1 2 273.380 2.226 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3ccccc32)CC1 ZINC000949164071 613717696 /nfs/dbraw/zinc/71/76/96/613717696.db2.gz XZVZOWBCEBBOQQ-UHFFFAOYSA-N 1 2 281.359 2.179 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(-c3ccccc3)n2)CC1 ZINC000950893802 613717882 /nfs/dbraw/zinc/71/78/82/613717882.db2.gz DFOFRUBSLKKXII-UHFFFAOYSA-N 1 2 296.374 2.021 20 30 CEEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000946931533 614156471 /nfs/dbraw/zinc/15/64/71/614156471.db2.gz DYDHCLQVXSDKDD-BZNIZROVSA-N 1 2 289.354 2.186 20 30 CEEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000946931533 614156473 /nfs/dbraw/zinc/15/64/73/614156473.db2.gz DYDHCLQVXSDKDD-BZNIZROVSA-N 1 2 289.354 2.186 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000179343736 625377349 /nfs/dbraw/zinc/37/73/49/625377349.db2.gz NGSNTOJPTPLLPP-LLVKDONJSA-N 1 2 278.190 2.022 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000179343736 625377374 /nfs/dbraw/zinc/37/73/74/625377374.db2.gz NGSNTOJPTPLLPP-LLVKDONJSA-N 1 2 278.190 2.022 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cscn1 ZINC001024359018 625531430 /nfs/dbraw/zinc/53/14/30/625531430.db2.gz NATBKLGXZQACNQ-LLVKDONJSA-N 1 2 299.827 2.480 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cscn1 ZINC001024359018 625531438 /nfs/dbraw/zinc/53/14/38/625531438.db2.gz NATBKLGXZQACNQ-LLVKDONJSA-N 1 2 299.827 2.480 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001024402335 625546262 /nfs/dbraw/zinc/54/62/62/625546262.db2.gz OHKLMZRCMAOQFZ-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001024402335 625546266 /nfs/dbraw/zinc/54/62/66/625546266.db2.gz OHKLMZRCMAOQFZ-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001024427957 625554873 /nfs/dbraw/zinc/55/48/73/625554873.db2.gz RYEHKESWHLKYGV-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001024427957 625554887 /nfs/dbraw/zinc/55/48/87/625554887.db2.gz RYEHKESWHLKYGV-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933328353 623653316 /nfs/dbraw/zinc/65/33/16/623653316.db2.gz ZPTLABQXWLAIHJ-OAHLLOKOSA-N 1 2 285.391 2.489 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933328353 623653322 /nfs/dbraw/zinc/65/33/22/623653322.db2.gz ZPTLABQXWLAIHJ-OAHLLOKOSA-N 1 2 285.391 2.489 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1ncnn1-c1ccccc1 ZINC000934461938 624511460 /nfs/dbraw/zinc/51/14/60/624511460.db2.gz BMQZDODTFHDFSN-ZDUSSCGKSA-N 1 2 254.337 2.418 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1ncnn1-c1ccccc1 ZINC000934461938 624511467 /nfs/dbraw/zinc/51/14/67/624511467.db2.gz BMQZDODTFHDFSN-ZDUSSCGKSA-N 1 2 254.337 2.418 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000934509683 624548165 /nfs/dbraw/zinc/54/81/65/624548165.db2.gz PSRDOPPZGTZLBV-CQSZACIVSA-N 1 2 256.349 2.137 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC000934509683 624548170 /nfs/dbraw/zinc/54/81/70/624548170.db2.gz PSRDOPPZGTZLBV-CQSZACIVSA-N 1 2 256.349 2.137 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000934510391 624549745 /nfs/dbraw/zinc/54/97/45/624549745.db2.gz IMLFYAHJYSSUNV-LLVKDONJSA-N 1 2 257.293 2.317 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000934510391 624549753 /nfs/dbraw/zinc/54/97/53/624549753.db2.gz IMLFYAHJYSSUNV-LLVKDONJSA-N 1 2 257.293 2.317 20 30 CEEDLO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc(C#N)c1O ZINC000926564609 625105643 /nfs/dbraw/zinc/10/56/43/625105643.db2.gz UGBNKWLLJJRQLH-MGPQQGTHSA-N 1 2 260.337 2.218 20 30 CEEDLO Oc1ccc(/C=N/Cc2ccn3cc[nH+]c3c2)c(O)c1O ZINC000177694362 625825534 /nfs/dbraw/zinc/82/55/34/625825534.db2.gz VYNRZUAYUGQXRT-CXUHLZMHSA-N 1 2 283.287 2.070 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001006538177 627367719 /nfs/dbraw/zinc/36/77/19/627367719.db2.gz XIAGTVIYZXWSFX-GFCCVEGCSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001006538177 627367720 /nfs/dbraw/zinc/36/77/20/627367720.db2.gz XIAGTVIYZXWSFX-GFCCVEGCSA-N 1 2 256.777 2.120 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018021951 627368124 /nfs/dbraw/zinc/36/81/24/627368124.db2.gz 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/nfs/dbraw/zinc/71/22/69/628712269.db2.gz CHPFIQKTMALEBV-SSDOTTSWSA-N 1 2 263.288 2.497 20 30 CEEDLO Cc1cc(C)c(C(=O)N2CCC[C@@H](C#N)C2)c(C)[nH+]1 ZINC000928233567 629340639 /nfs/dbraw/zinc/34/06/39/629340639.db2.gz YHWXMYFOWUOOBL-ZDUSSCGKSA-N 1 2 257.337 2.383 20 30 CEEDLO COc1cc2c(cc1OC)C(=O)/C(=C/c1[nH]cc[nH+]1)C2 ZINC000794960563 629374826 /nfs/dbraw/zinc/37/48/26/629374826.db2.gz DJKYFZOORWVANH-JXMROGBWSA-N 1 2 270.288 2.249 20 30 CEEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2cncnc2)cc1 ZINC000794979524 629387970 /nfs/dbraw/zinc/38/79/70/629387970.db2.gz YDYZMVSYEGYNTN-UHFFFAOYSA-N 1 2 280.335 2.272 20 30 CEEDLO Cc1coc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000894845147 629683572 /nfs/dbraw/zinc/68/35/72/629683572.db2.gz YXKDNMWXSDIDKQ-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO CCc1[nH]nc(Cl)c1C[NH2+]CC1(C#N)CCC1 ZINC000894965684 629770864 /nfs/dbraw/zinc/77/08/64/629770864.db2.gz IYBGDYZGBIQBGM-UHFFFAOYSA-N 1 2 252.749 2.409 20 30 CEEDLO N#CC1(C[NH2+]Cc2ncc(Br)cc2O)CCC1 ZINC000894966824 629771621 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ZINC000839169367 644178548 /nfs/dbraw/zinc/17/85/48/644178548.db2.gz RXHDPPLXOSOSFL-UWVGGRQHSA-N 1 2 265.275 2.262 20 30 CEEDLO N#Cc1cc(C(=O)OCCn2cc[nH+]c2)ccc1Cl ZINC000754920725 644450060 /nfs/dbraw/zinc/45/00/60/644450060.db2.gz WWKWYXMFRWAPMO-UHFFFAOYSA-N 1 2 275.695 2.265 20 30 CEEDLO CCCCCCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000755075569 644468607 /nfs/dbraw/zinc/46/86/07/644468607.db2.gz ODECDZAUOJNWQH-UHFFFAOYSA-N 1 2 299.459 2.321 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(F)cc1 ZINC000877905708 650943398 /nfs/dbraw/zinc/94/33/98/650943398.db2.gz BSXOQMUGBMCSHE-ZDUSSCGKSA-N 1 2 251.301 2.375 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(F)cc1 ZINC000877905708 650943399 /nfs/dbraw/zinc/94/33/99/650943399.db2.gz BSXOQMUGBMCSHE-ZDUSSCGKSA-N 1 2 251.301 2.375 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000877919620 650947337 /nfs/dbraw/zinc/94/73/37/650947337.db2.gz SBJLUBOXYXOJQU-ZDUSSCGKSA-N 1 2 281.327 2.384 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000877919620 650947340 /nfs/dbraw/zinc/94/73/40/650947340.db2.gz SBJLUBOXYXOJQU-ZDUSSCGKSA-N 1 2 281.327 2.384 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2sccc2C1 ZINC000877925316 650949586 /nfs/dbraw/zinc/94/95/86/650949586.db2.gz CVHJCBWNZKGLRP-NSHDSACASA-N 1 2 251.351 2.224 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2sccc2C1 ZINC000877925316 650949589 /nfs/dbraw/zinc/94/95/89/650949589.db2.gz CVHJCBWNZKGLRP-NSHDSACASA-N 1 2 251.351 2.224 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(OC)cc1 ZINC000877938946 650953642 /nfs/dbraw/zinc/95/36/42/650953642.db2.gz PMWUANXEVCEWFH-CQSZACIVSA-N 1 2 263.337 2.245 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000877938946 650953644 /nfs/dbraw/zinc/95/36/44/650953644.db2.gz PMWUANXEVCEWFH-CQSZACIVSA-N 1 2 263.337 2.245 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000757831846 644849958 /nfs/dbraw/zinc/84/99/58/644849958.db2.gz UUWOVNDSOYSSMJ-QWHCGFSZSA-N 1 2 271.405 2.024 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000857876137 644993495 /nfs/dbraw/zinc/99/34/95/644993495.db2.gz LPHKLZKLHPARAW-MRXNPFEDSA-N 1 2 265.316 2.002 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@H+]2Cc3ccncc3C2)cc1 ZINC000857876137 644993497 /nfs/dbraw/zinc/99/34/97/644993497.db2.gz LPHKLZKLHPARAW-MRXNPFEDSA-N 1 2 265.316 2.002 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000877996096 650970150 /nfs/dbraw/zinc/97/01/50/650970150.db2.gz NAKCMNKHAXARRQ-OAHLLOKOSA-N 1 2 275.348 2.171 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000877996096 650970153 /nfs/dbraw/zinc/97/01/53/650970153.db2.gz NAKCMNKHAXARRQ-OAHLLOKOSA-N 1 2 275.348 2.171 20 30 CEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981632 645034674 /nfs/dbraw/zinc/03/46/74/645034674.db2.gz HSPXXQJCGJPSPI-HUUCEWRRSA-N 1 2 294.358 2.217 20 30 CEEDLO CCCCCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000858088447 645057149 /nfs/dbraw/zinc/05/71/49/645057149.db2.gz FFYRHHDUZCYMPU-UHFFFAOYSA-N 1 2 299.459 2.367 20 30 CEEDLO NC(=[NH+]OCc1ncc(C2CC2)o1)c1ccc2c(c1)CCO2 ZINC000760368716 645148443 /nfs/dbraw/zinc/14/84/43/645148443.db2.gz MAMFWLXOKMVMLW-UHFFFAOYSA-N 1 2 299.330 2.324 20 30 CEEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)C/C(Cl)=C\Cl ZINC000760890499 645207230 /nfs/dbraw/zinc/20/72/30/645207230.db2.gz YSTHSHBDPFYMGN-VMPITWQZSA-N 1 2 288.182 2.047 20 30 CEEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)C/C(Cl)=C\Cl ZINC000760890499 645207234 /nfs/dbraw/zinc/20/72/34/645207234.db2.gz YSTHSHBDPFYMGN-VMPITWQZSA-N 1 2 288.182 2.047 20 30 CEEDLO C#CCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761115601 645244965 /nfs/dbraw/zinc/24/49/65/645244965.db2.gz VSPNBEVMHOBWTA-UHFFFAOYSA-N 1 2 282.727 2.330 20 30 CEEDLO C#CCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000761115601 645244969 /nfs/dbraw/zinc/24/49/69/645244969.db2.gz VSPNBEVMHOBWTA-UHFFFAOYSA-N 1 2 282.727 2.330 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000858858045 645272921 /nfs/dbraw/zinc/27/29/21/645272921.db2.gz WQEBJDAHRLKGQH-ZDUSSCGKSA-N 1 2 274.368 2.139 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000858858045 645272925 /nfs/dbraw/zinc/27/29/25/645272925.db2.gz WQEBJDAHRLKGQH-ZDUSSCGKSA-N 1 2 274.368 2.139 20 30 CEEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1C#N ZINC000859314650 645454810 /nfs/dbraw/zinc/45/48/10/645454810.db2.gz YGDOPQBGKIWETK-CQSZACIVSA-N 1 2 272.348 2.393 20 30 CEEDLO Cc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1C#N ZINC000859314650 645454812 /nfs/dbraw/zinc/45/48/12/645454812.db2.gz YGDOPQBGKIWETK-CQSZACIVSA-N 1 2 272.348 2.393 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000766666017 645908890 /nfs/dbraw/zinc/90/88/90/645908890.db2.gz OBGITSRRABTTQV-YJBOKZPZSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000766666017 645908892 /nfs/dbraw/zinc/90/88/92/645908892.db2.gz OBGITSRRABTTQV-YJBOKZPZSA-N 1 2 284.403 2.379 20 30 CEEDLO C#CCCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000766744764 645920654 /nfs/dbraw/zinc/92/06/54/645920654.db2.gz ZFNWPBRKHIVVDD-LBPRGKRZSA-N 1 2 257.337 2.242 20 30 CEEDLO C#CCCC[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC000766918284 645937151 /nfs/dbraw/zinc/93/71/51/645937151.db2.gz JBFNDPUUCPPWAG-UHFFFAOYSA-N 1 2 271.360 2.090 20 30 CEEDLO C=C(Br)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000767948668 646060678 /nfs/dbraw/zinc/06/06/78/646060678.db2.gz SVSGTOKTIZQFDC-UHFFFAOYSA-N 1 2 284.157 2.150 20 30 CEEDLO FC(F)(F)CN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000769822077 646323139 /nfs/dbraw/zinc/32/31/39/646323139.db2.gz PBNWOEPUYCXTFW-UHFFFAOYSA-N 1 2 272.274 2.168 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000862324274 646399799 /nfs/dbraw/zinc/39/97/99/646399799.db2.gz IHYUOCBHJMJWFR-VIFPVBQESA-N 1 2 253.296 2.280 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2Br)C1 ZINC000862402917 646441697 /nfs/dbraw/zinc/44/16/97/646441697.db2.gz SMVUWXSBZCKGBT-SNVBAGLBSA-N 1 2 282.185 2.028 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000862402917 646441701 /nfs/dbraw/zinc/44/17/01/646441701.db2.gz SMVUWXSBZCKGBT-SNVBAGLBSA-N 1 2 282.185 2.028 20 30 CEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000772002913 646583660 /nfs/dbraw/zinc/58/36/60/646583660.db2.gz PWRHEQRECWWDJU-UHFFFAOYSA-N 1 2 299.330 2.156 20 30 CEEDLO CN(C)c1cc[nH+]cc1C=NNCC(F)(F)C(F)(F)F ZINC000863180939 646665588 /nfs/dbraw/zinc/66/55/88/646665588.db2.gz DCANGXHLMXQZQC-UHFFFAOYSA-N 1 2 296.243 2.269 20 30 CEEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(C(C)(C)C)C1=O)C(C)C ZINC000773296204 646724180 /nfs/dbraw/zinc/72/41/80/646724180.db2.gz ZPKXBSSVOATSDD-HNNXBMFYSA-N 1 2 281.400 2.197 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(C(C)(C)C)C1=O)C(C)C ZINC000773296204 646724183 /nfs/dbraw/zinc/72/41/83/646724183.db2.gz ZPKXBSSVOATSDD-HNNXBMFYSA-N 1 2 281.400 2.197 20 30 CEEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000773428400 646737795 /nfs/dbraw/zinc/73/77/95/646737795.db2.gz KJGGMYSMZKUKDA-KGLIPLIRSA-N 1 2 265.353 2.370 20 30 CEEDLO C=C(CC)C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000773428400 646737798 /nfs/dbraw/zinc/73/77/98/646737798.db2.gz KJGGMYSMZKUKDA-KGLIPLIRSA-N 1 2 265.353 2.370 20 30 CEEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000773428410 646737853 /nfs/dbraw/zinc/73/78/53/646737853.db2.gz KJGGMYSMZKUKDA-ZIAGYGMSSA-N 1 2 265.353 2.370 20 30 CEEDLO C=C(CC)C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000773428410 646737857 /nfs/dbraw/zinc/73/78/57/646737857.db2.gz KJGGMYSMZKUKDA-ZIAGYGMSSA-N 1 2 265.353 2.370 20 30 CEEDLO C#C[C@H](C)NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000773597190 646761506 /nfs/dbraw/zinc/76/15/06/646761506.db2.gz GRSPXAYPRQCMPO-BJIFSAINSA-N 1 2 297.402 2.049 20 30 CEEDLO C#C[C@@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000773596565 646761533 /nfs/dbraw/zinc/76/15/33/646761533.db2.gz DLOAVACEMIPVGC-UKRRQHHQSA-N 1 2 296.374 2.025 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(O)c(C)c1C ZINC000774841291 646900977 /nfs/dbraw/zinc/90/09/77/646900977.db2.gz WOLVIBVABWKWIS-HNNXBMFYSA-N 1 2 286.375 2.354 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(O)c(C)c1C ZINC000774841291 646900980 /nfs/dbraw/zinc/90/09/80/646900980.db2.gz WOLVIBVABWKWIS-HNNXBMFYSA-N 1 2 286.375 2.354 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865450716 647298928 /nfs/dbraw/zinc/29/89/28/647298928.db2.gz UEBRPLLOCIPGDA-UHFFFAOYSA-N 1 2 256.147 2.216 20 30 CEEDLO CCc1nc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)co1 ZINC000865591526 647375178 /nfs/dbraw/zinc/37/51/78/647375178.db2.gz HYOVFHNMLOCBDC-UHFFFAOYSA-N 1 2 284.363 2.464 20 30 CEEDLO N#Cc1cc(C(F)(F)F)cc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000865609742 647384164 /nfs/dbraw/zinc/38/41/64/647384164.db2.gz QODXYXLBYABJIF-UHFFFAOYSA-N 1 2 293.252 2.230 20 30 CEEDLO N#Cc1cccc(Br)c1NCC[NH+]1CCC1 ZINC000865635715 647399205 /nfs/dbraw/zinc/39/92/05/647399205.db2.gz ONTUMYITMNAQFR-UHFFFAOYSA-N 1 2 280.169 2.438 20 30 CEEDLO C(=NN[C@H]1CCCOC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000780257673 647406710 /nfs/dbraw/zinc/40/67/10/647406710.db2.gz KKXLIXOUWXFKPZ-NSHDSACASA-N 1 2 276.365 2.036 20 30 CEEDLO C=CCN(CC1CCCCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865733604 647443927 /nfs/dbraw/zinc/44/39/27/647443927.db2.gz NFXRMZSTSUTAAG-CQSZACIVSA-N 1 2 277.368 2.038 20 30 CEEDLO N#CCC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000781572377 647539181 /nfs/dbraw/zinc/53/91/81/647539181.db2.gz RIQVFHYBGTZXIC-UHFFFAOYSA-N 1 2 287.338 2.365 20 30 CEEDLO Nc1ncc(C=[NH+]Nc2cccc3ncccc32)cn1 ZINC000781589291 647541148 /nfs/dbraw/zinc/54/11/48/647541148.db2.gz GTGRUMQDYBAJJY-UHFFFAOYSA-N 1 2 264.292 2.053 20 30 CEEDLO NC(=[NH+]OCC1CC1)c1ccc(Br)cc1 ZINC000782949262 647665297 /nfs/dbraw/zinc/66/52/97/647665297.db2.gz FPQQMYVTQOSYRZ-UHFFFAOYSA-N 1 2 269.142 2.496 20 30 CEEDLO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C#N)c1O ZINC000866241925 647689649 /nfs/dbraw/zinc/68/96/49/647689649.db2.gz IBQJSZBLDJDVLG-DGCLKSJQSA-N 1 2 259.353 2.009 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866272040 647709841 /nfs/dbraw/zinc/70/98/41/647709841.db2.gz ISMPEZUPBVIQOI-OUCADQQQSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866289393 647717883 /nfs/dbraw/zinc/71/78/83/647717883.db2.gz FQHWSCDCDGBINK-RYUDHWBXSA-N 1 2 270.336 2.200 20 30 CEEDLO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cccc(C#N)c1O ZINC000866306365 647728041 /nfs/dbraw/zinc/72/80/41/647728041.db2.gz GGAOALYBLSCGGW-GFCCVEGCSA-N 1 2 274.364 2.467 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(C#N)c1O ZINC000866309472 647729984 /nfs/dbraw/zinc/72/99/84/647729984.db2.gz GVVUDVPTIWFXEI-RAIGVLPGSA-N 1 2 260.337 2.218 20 30 CEEDLO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866311130 647730864 /nfs/dbraw/zinc/73/08/64/647730864.db2.gz QUTCCPXSSWLQAJ-GFCCVEGCSA-N 1 2 289.379 2.077 20 30 CEEDLO C#CCCC[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000783571738 647731069 /nfs/dbraw/zinc/73/10/69/647731069.db2.gz QLENXFIYDRIKLW-CQSZACIVSA-N 1 2 279.767 2.427 20 30 CEEDLO C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(C#N)c1O ZINC000866343866 647746722 /nfs/dbraw/zinc/74/67/22/647746722.db2.gz PHOKFOJYSSJLMS-LLVKDONJSA-N 1 2 260.337 2.077 20 30 CEEDLO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cccc(C#N)c1O ZINC000866377867 647764377 /nfs/dbraw/zinc/76/43/77/647764377.db2.gz YQIARUZVYUZPLJ-LLVKDONJSA-N 1 2 259.353 2.009 20 30 CEEDLO C#C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000868021520 648023674 /nfs/dbraw/zinc/02/36/74/648023674.db2.gz CHXWSOQLLHNHPR-MRXNPFEDSA-N 1 2 281.359 2.189 20 30 CEEDLO Cc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)n(C)n1 ZINC000789156374 648263807 /nfs/dbraw/zinc/26/38/07/648263807.db2.gz NRBUKOZWEIFCBH-SREVYHEPSA-N 1 2 266.304 2.272 20 30 CEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869225453 648379789 /nfs/dbraw/zinc/37/97/89/648379789.db2.gz KZBMUJYXLRLYHN-PLHDSQEVSA-N 1 2 292.423 2.126 20 30 CEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1nccn1C ZINC000790300030 648403562 /nfs/dbraw/zinc/40/35/62/648403562.db2.gz NAJULSWKTNKEJX-UHFFFAOYSA-N 1 2 269.352 2.224 20 30 CEEDLO CCOc1cc(C=NNc2[nH+]ccn2C)ccc1OC ZINC000790300557 648403982 /nfs/dbraw/zinc/40/39/82/648403982.db2.gz VOMQKSNUBKWMDX-UHFFFAOYSA-N 1 2 274.324 2.273 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cc(O)ccc1Br ZINC000790302359 648404423 /nfs/dbraw/zinc/40/44/23/648404423.db2.gz QNNQZNLTQSUGAR-UHFFFAOYSA-N 1 2 295.140 2.334 20 30 CEEDLO COc1cc(C)c(C=NNc2[nH+]ccn2C)cc1OC ZINC000790303401 648404993 /nfs/dbraw/zinc/40/49/93/648404993.db2.gz UCUXILBJFCXOOJ-UHFFFAOYSA-N 1 2 274.324 2.192 20 30 CEEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000791492452 648532023 /nfs/dbraw/zinc/53/20/23/648532023.db2.gz LEUBQXSSPBFZSX-UHFFFAOYSA-N 1 2 267.394 2.109 20 30 CEEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000791492452 648532027 /nfs/dbraw/zinc/53/20/27/648532027.db2.gz LEUBQXSSPBFZSX-UHFFFAOYSA-N 1 2 267.394 2.109 20 30 CEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070896 648994199 /nfs/dbraw/zinc/99/41/99/648994199.db2.gz PYQVNEIPZVRRGA-AWEZNQCLSA-N 1 2 297.362 2.247 20 30 CEEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070896 648994203 /nfs/dbraw/zinc/99/42/03/648994203.db2.gz PYQVNEIPZVRRGA-AWEZNQCLSA-N 1 2 297.362 2.247 20 30 CEEDLO CCc1csc(SC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000871990072 649238301 /nfs/dbraw/zinc/23/83/01/649238301.db2.gz RKEBZGWUOBIZIB-LLVKDONJSA-N 1 2 285.438 2.004 20 30 CEEDLO CCc1csc(SC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000871990072 649238303 /nfs/dbraw/zinc/23/83/03/649238303.db2.gz RKEBZGWUOBIZIB-LLVKDONJSA-N 1 2 285.438 2.004 20 30 CEEDLO Cc1nonc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000872136354 649288823 /nfs/dbraw/zinc/28/88/23/649288823.db2.gz MYZPQJWXFQIXLZ-CQSZACIVSA-N 1 2 268.320 2.417 20 30 CEEDLO COc1c(C)c[nH+]c(CN=Nc2oc(C)nc2C#N)c1C ZINC000872345211 649361015 /nfs/dbraw/zinc/36/10/15/649361015.db2.gz VXFOTUNEOIGKEZ-UHFFFAOYSA-N 1 2 285.307 2.321 20 30 CEEDLO CCC(=NNCCCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000872387381 649377046 /nfs/dbraw/zinc/37/70/46/649377046.db2.gz KOOGKFGDMFDVOG-ZDUSSCGKSA-N 1 2 264.373 2.055 20 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288.366 2.085 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879480760 651309611 /nfs/dbraw/zinc/30/96/11/651309611.db2.gz YWJMFCGXGNTLFA-RHSMWYFYSA-N 1 2 288.366 2.085 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000880481671 651448070 /nfs/dbraw/zinc/44/80/70/651448070.db2.gz XWBJWGBXPXSNHW-UHFFFAOYSA-N 1 2 294.782 2.094 20 30 CEEDLO Cc1cc(C[N@@H+]2CCc3ncncc3C2)ccc1C#N ZINC000880599198 651468875 /nfs/dbraw/zinc/46/88/75/651468875.db2.gz IITPQJFDZGJCGU-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1cc(C[N@H+]2CCc3ncncc3C2)ccc1C#N ZINC000880599198 651468876 /nfs/dbraw/zinc/46/88/76/651468876.db2.gz IITPQJFDZGJCGU-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCCSC(C)(C)C)nn1 ZINC000881331659 651686731 /nfs/dbraw/zinc/68/67/31/651686731.db2.gz NKJPDRACICSZIV-UHFFFAOYSA-N 1 2 280.441 2.313 20 30 CEEDLO C#CCC1(O)CCN(c2nc(NC)c3ccccc3[nH+]2)CC1 ZINC000882968120 652295159 /nfs/dbraw/zinc/29/51/59/652295159.db2.gz DEBHWSVQMTXGIB-UHFFFAOYSA-N 1 2 296.374 2.026 20 30 CEEDLO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000883392299 652453090 /nfs/dbraw/zinc/45/30/90/652453090.db2.gz DYKOJKFOWJMWJC-WCQYABFASA-N 1 2 260.337 2.242 20 30 CEEDLO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000883392300 652453150 /nfs/dbraw/zinc/45/31/50/652453150.db2.gz DYKOJKFOWJMWJC-YPMHNXCESA-N 1 2 260.337 2.242 20 30 CEEDLO C=CC[NH+]1CCN(c2ncc3c(c2C#N)CCCC3)CC1 ZINC001165034371 721873492 /nfs/dbraw/zinc/87/34/92/721873492.db2.gz IORMJSAHFOLIJT-UHFFFAOYSA-N 1 2 282.391 2.140 20 30 CEEDLO C#CCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001205012645 805920944 /nfs/dbraw/zinc/92/09/44/805920944.db2.gz SPQVZQOKPLOWSF-UHFFFAOYSA-N 1 2 263.362 2.045 20 30 CEEDLO C#CCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001205012698 805928576 /nfs/dbraw/zinc/92/85/76/805928576.db2.gz UCKZHQBBTGVFAI-JTQLQIEISA-N 1 2 270.785 2.411 20 30 CEEDLO C#CCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001205012698 805928582 /nfs/dbraw/zinc/92/85/82/805928582.db2.gz UCKZHQBBTGVFAI-JTQLQIEISA-N 1 2 270.785 2.411 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC001088448054 806238738 /nfs/dbraw/zinc/23/87/38/806238738.db2.gz OUVCZRRXZRRQNB-MNOVXSKESA-N 1 2 268.744 2.225 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC001088448054 806238747 /nfs/dbraw/zinc/23/87/47/806238747.db2.gz OUVCZRRXZRRQNB-MNOVXSKESA-N 1 2 268.744 2.225 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C(C)C)[C@@H]2C1 ZINC001076146049 806817675 /nfs/dbraw/zinc/81/76/75/806817675.db2.gz FSIHVPUREKETGQ-XQQFMLRXSA-N 1 2 288.794 2.266 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C(C)C)[C@@H]2C1 ZINC001076146049 806817683 /nfs/dbraw/zinc/81/76/83/806817683.db2.gz FSIHVPUREKETGQ-XQQFMLRXSA-N 1 2 288.794 2.266 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107464104 808446174 /nfs/dbraw/zinc/44/61/74/808446174.db2.gz QEZYGAKYDUSZLP-AFNCTOJWSA-N 1 2 288.395 2.472 20 30 CEEDLO N#CCCN1CC[NH+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209255448 802490518 /nfs/dbraw/zinc/49/05/18/802490518.db2.gz QMEWCGAELJNOMK-UHFFFAOYSA-N 1 2 297.324 2.178 20 30 CEEDLO COCC[N@H+](CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000713555006 802760320 /nfs/dbraw/zinc/76/03/20/802760320.db2.gz ZWNXBSJKQWPOIF-CYBMUJFWSA-N 1 2 254.374 2.054 20 30 CEEDLO COCC[N@@H+](CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000713555006 802760331 /nfs/dbraw/zinc/76/03/31/802760331.db2.gz ZWNXBSJKQWPOIF-CYBMUJFWSA-N 1 2 254.374 2.054 20 30 CEEDLO C=C(C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001266713593 802859835 /nfs/dbraw/zinc/85/98/35/802859835.db2.gz IIPWUFXNUUELAH-LBPRGKRZSA-N 1 2 294.399 2.097 20 30 CEEDLO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001267168239 803187831 /nfs/dbraw/zinc/18/78/31/803187831.db2.gz PJZJFFPTQZHAOL-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001267168239 803187836 /nfs/dbraw/zinc/18/78/36/803187836.db2.gz PJZJFFPTQZHAOL-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001267168239 803187837 /nfs/dbraw/zinc/18/78/37/803187837.db2.gz PJZJFFPTQZHAOL-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001267168239 803187841 /nfs/dbraw/zinc/18/78/41/803187841.db2.gz PJZJFFPTQZHAOL-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO Cc1cc(NCc2cc[nH+]c(N)c2)cc([N+](=O)[O-])c1C#N ZINC001167619078 803207300 /nfs/dbraw/zinc/20/73/00/803207300.db2.gz UHWKBALDDQYYGJ-UHFFFAOYSA-N 1 2 283.291 2.364 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1Cl ZINC001038286064 803393359 /nfs/dbraw/zinc/39/33/59/803393359.db2.gz AQJUFLWOKNSADL-SECBINFHSA-N 1 2 270.785 2.392 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1Cl ZINC001038286064 803393362 /nfs/dbraw/zinc/39/33/62/803393362.db2.gz AQJUFLWOKNSADL-SECBINFHSA-N 1 2 270.785 2.392 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001038295973 803454122 /nfs/dbraw/zinc/45/41/22/803454122.db2.gz LCHLVEVOXCLSOI-VIFPVBQESA-N 1 2 288.269 2.289 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001038295973 803454125 /nfs/dbraw/zinc/45/41/25/803454125.db2.gz LCHLVEVOXCLSOI-VIFPVBQESA-N 1 2 288.269 2.289 20 30 CEEDLO CCCC(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001267674428 803652419 /nfs/dbraw/zinc/65/24/19/803652419.db2.gz WQJZALUSSYYKBG-UHFFFAOYSA-N 1 2 288.366 2.025 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001038340946 803659725 /nfs/dbraw/zinc/65/97/25/803659725.db2.gz HTHKKFKJVVWGKQ-ZDUSSCGKSA-N 1 2 282.343 2.179 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001038340946 803659728 /nfs/dbraw/zinc/65/97/28/803659728.db2.gz HTHKKFKJVVWGKQ-ZDUSSCGKSA-N 1 2 282.343 2.179 20 30 CEEDLO CC#CCCCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104767396 803685766 /nfs/dbraw/zinc/68/57/66/803685766.db2.gz HFYCPEXHNWCAEO-CYBMUJFWSA-N 1 2 288.395 2.237 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC001093579173 814966645 /nfs/dbraw/zinc/96/66/45/814966645.db2.gz NWCYABFOJXIUEH-CQSZACIVSA-N 1 2 294.439 2.156 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001268024285 804014328 /nfs/dbraw/zinc/01/43/28/804014328.db2.gz BORKTKKYKIKVFF-OAHLLOKOSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001268024285 804014339 /nfs/dbraw/zinc/01/43/39/804014339.db2.gz BORKTKKYKIKVFF-OAHLLOKOSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001027318672 804036614 /nfs/dbraw/zinc/03/66/14/804036614.db2.gz URVDUALQNCNXHW-LBPRGKRZSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001027318672 804036623 /nfs/dbraw/zinc/03/66/23/804036623.db2.gz URVDUALQNCNXHW-LBPRGKRZSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001027762386 804244311 /nfs/dbraw/zinc/24/43/11/804244311.db2.gz XOKGRPWVMWABIV-GFCCVEGCSA-N 1 2 294.782 2.339 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1O ZINC001027762386 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C=CC[NH+]1CCN(C(=O)C[C@H](OCC)C2=CCCC2)CC1 ZINC001112855390 812087338 /nfs/dbraw/zinc/08/73/38/812087338.db2.gz UNARLSYVYUJHKS-INIZCTEOSA-N 1 2 292.423 2.222 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049482055 812152711 /nfs/dbraw/zinc/15/27/11/812152711.db2.gz LCMCRLBVQWQRTP-GMTAPVOTSA-N 1 2 294.292 2.138 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049482055 812152727 /nfs/dbraw/zinc/15/27/27/812152727.db2.gz LCMCRLBVQWQRTP-GMTAPVOTSA-N 1 2 294.292 2.138 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001113580401 812281631 /nfs/dbraw/zinc/28/16/31/812281631.db2.gz MWKKDCDORCVOTJ-CYBMUJFWSA-N 1 2 252.402 2.389 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097244234 812347335 /nfs/dbraw/zinc/34/73/35/812347335.db2.gz COSOHDFRAZFPDY-FPMFFAJLSA-N 1 2 288.395 2.446 20 30 CEEDLO CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001172752762 815524793 /nfs/dbraw/zinc/52/47/93/815524793.db2.gz 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Cc1nnc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)o1 ZINC000595702952 345854739 /nfs/dbraw/zinc/85/47/39/345854739.db2.gz ZDPCOPXYBKLORA-UHFFFAOYSA-N 1 2 256.309 2.190 20 30 CEEDLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595608962 345825710 /nfs/dbraw/zinc/82/57/10/345825710.db2.gz DEBMIHWVAZJPEG-NSHDSACASA-N 1 2 262.357 2.493 20 30 CEEDLO CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595608962 345825713 /nfs/dbraw/zinc/82/57/13/345825713.db2.gz DEBMIHWVAZJPEG-NSHDSACASA-N 1 2 262.357 2.493 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000595614736 345827687 /nfs/dbraw/zinc/82/76/87/345827687.db2.gz NDVWXMBIYDLWGM-CQSZACIVSA-N 1 2 281.363 2.393 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000595614736 345827689 /nfs/dbraw/zinc/82/76/89/345827689.db2.gz NDVWXMBIYDLWGM-CQSZACIVSA-N 1 2 281.363 2.393 20 30 CEEDLO CCc1nnc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000595620197 345830303 /nfs/dbraw/zinc/83/03/03/345830303.db2.gz KDYTXJSDYUJOQP-SNVBAGLBSA-N 1 2 250.371 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N#CC[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CCCC1 ZINC000599297668 346493333 /nfs/dbraw/zinc/49/33/33/346493333.db2.gz PMPULEDKARSMOM-INIZCTEOSA-N 1 2 299.374 2.066 20 30 CEEDLO N#CC[N@H+](C[C@H](O)COc1ccccc1C#N)C1CCCC1 ZINC000599297668 346493336 /nfs/dbraw/zinc/49/33/36/346493336.db2.gz PMPULEDKARSMOM-INIZCTEOSA-N 1 2 299.374 2.066 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000599310124 346496635 /nfs/dbraw/zinc/49/66/35/346496635.db2.gz OUECSUMDTYEGHL-LLVKDONJSA-N 1 2 298.321 2.403 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CCC[C@](C)(C#N)C1 ZINC000602606099 347097464 /nfs/dbraw/zinc/09/74/64/347097464.db2.gz BHMCTQKMDDISHX-UKRRQHHQSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000602606099 347097469 /nfs/dbraw/zinc/09/74/69/347097469.db2.gz BHMCTQKMDDISHX-UKRRQHHQSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000602606099 347097472 /nfs/dbraw/zinc/09/74/72/347097472.db2.gz BHMCTQKMDDISHX-UKRRQHHQSA-N 1 2 258.369 2.497 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678188 346562108 /nfs/dbraw/zinc/56/21/08/346562108.db2.gz JEUIGYDSUOJXLB-JSGCOSHPSA-N 1 2 293.338 2.351 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678188 346562111 /nfs/dbraw/zinc/56/21/11/346562111.db2.gz JEUIGYDSUOJXLB-JSGCOSHPSA-N 1 2 293.338 2.351 20 30 CEEDLO Cc1cc(C(=O)NCC2(CC#N)CC2)c2[nH+]ccn2c1 ZINC000599874615 346584145 /nfs/dbraw/zinc/58/41/45/346584145.db2.gz YZYRCKDOBBGIGZ-UHFFFAOYSA-N 1 2 268.320 2.066 20 30 CEEDLO Cc1ncc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000600106486 346597937 /nfs/dbraw/zinc/59/79/37/346597937.db2.gz JPUNDCUNHLCMMF-QGZVFWFLSA-N 1 2 296.374 2.366 20 30 CEEDLO COC(=O)[C@H](C[C@@H]1CCCOC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000600206257 346622697 /nfs/dbraw/zinc/62/26/97/346622697.db2.gz HBWCEVBKKDTXJT-QPSCCSFWSA-N 1 2 294.395 2.017 20 30 CEEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(C#N)cs2)n1 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CC(C)(CNC(=O)Nc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000601257711 346804000 /nfs/dbraw/zinc/80/40/00/346804000.db2.gz RSKRXAANGMRAOA-UHFFFAOYSA-N 1 2 283.335 2.312 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cccs1 ZINC000602635203 347115252 /nfs/dbraw/zinc/11/52/52/347115252.db2.gz QBSBLDCBVVFEMI-JQWIXIFHSA-N 1 2 266.366 2.492 20 30 CEEDLO COc1cccc(OC)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602719180 347169026 /nfs/dbraw/zinc/16/90/26/347169026.db2.gz UTAVXZSDDBXJCF-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1cccc(OC)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000602719180 347169028 /nfs/dbraw/zinc/16/90/28/347169028.db2.gz UTAVXZSDDBXJCF-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COC(=O)c1coc([C@@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000602806692 347207390 /nfs/dbraw/zinc/20/73/90/347207390.db2.gz OLUYWYIZKGNMJM-SNVBAGLBSA-N 1 2 277.324 2.148 20 30 CEEDLO N#CCC1(C[NH+]2CCN(Cc3ccco3)CC2)CC1 ZINC000602766617 347189302 /nfs/dbraw/zinc/18/93/02/347189302.db2.gz NTRZVUPEZIZJRT-UHFFFAOYSA-N 1 2 259.353 2.091 20 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RVKXRRRFRQTDOV-LBPRGKRZSA-N 1 2 277.343 2.066 20 30 CEEDLO CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)cc1 ZINC000602868558 347231252 /nfs/dbraw/zinc/23/12/52/347231252.db2.gz JGUYBKFNCWQOHJ-NEPJUHHUSA-N 1 2 275.352 2.304 20 30 CEEDLO COC(=O)c1coc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000602883114 347237057 /nfs/dbraw/zinc/23/70/57/347237057.db2.gz HUNUYFDPJLHIBY-MNOVXSKESA-N 1 2 277.324 2.148 20 30 CEEDLO COC(=O)c1coc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000602883114 347237060 /nfs/dbraw/zinc/23/70/60/347237060.db2.gz HUNUYFDPJLHIBY-MNOVXSKESA-N 1 2 277.324 2.148 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602883731 347238379 /nfs/dbraw/zinc/23/83/79/347238379.db2.gz XBHCVPWBFCLITR-OAHLLOKOSA-N 1 2 295.346 2.057 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602883731 347238382 /nfs/dbraw/zinc/23/83/82/347238382.db2.gz XBHCVPWBFCLITR-OAHLLOKOSA-N 1 2 295.346 2.057 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccn1 ZINC000603127225 347292872 /nfs/dbraw/zinc/29/28/72/347292872.db2.gz IDEWQGWTLPTQGM-ZDUSSCGKSA-N 1 2 296.334 2.435 20 30 CEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc[nH+]cc3F)C2)nc1 ZINC000603382462 347353916 /nfs/dbraw/zinc/35/39/16/347353916.db2.gz WYPWGWYEGSXKGH-GFCCVEGCSA-N 1 2 284.294 2.145 20 30 CEEDLO Cc1cc(NCCNc2ncccc2C#N)nc(C(C)C)[nH+]1 ZINC000603857748 347392366 /nfs/dbraw/zinc/39/23/66/347392366.db2.gz TXHMWDWVZVEARC-UHFFFAOYSA-N 1 2 296.378 2.121 20 30 CEEDLO C=CCCCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000606881562 347496877 /nfs/dbraw/zinc/49/68/77/347496877.db2.gz SGJIIHSJALFNSI-UHFFFAOYSA-N 1 2 299.378 2.481 20 30 CEEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)s1 ZINC000609486806 347640322 /nfs/dbraw/zinc/64/03/22/347640322.db2.gz SADWJKHZAFLEQA-AWEZNQCLSA-N 1 2 278.425 2.117 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000609618931 347647084 /nfs/dbraw/zinc/64/70/84/347647084.db2.gz JDECVRMWAODUIR-UHFFFAOYSA-N 1 2 262.272 2.458 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000609709340 347649560 /nfs/dbraw/zinc/64/95/60/347649560.db2.gz YAPXOISXASRZSM-BXUZGUMPSA-N 1 2 275.327 2.213 20 30 CEEDLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1sccc1C#N ZINC000610859615 347718601 /nfs/dbraw/zinc/71/86/01/347718601.db2.gz CBYNNOHNXILQQS-UHFFFAOYSA-N 1 2 295.408 2.305 20 30 CEEDLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1sccc1C#N ZINC000610859615 347718604 /nfs/dbraw/zinc/71/86/04/347718604.db2.gz CBYNNOHNXILQQS-UHFFFAOYSA-N 1 2 295.408 2.305 20 30 CEEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000611462492 347781575 /nfs/dbraw/zinc/78/15/75/347781575.db2.gz FCDATPHHQKMVLH-VIFPVBQESA-N 1 2 250.264 2.189 20 30 CEEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000611462492 347781577 /nfs/dbraw/zinc/78/15/77/347781577.db2.gz FCDATPHHQKMVLH-VIFPVBQESA-N 1 2 250.264 2.189 20 30 CEEDLO CC(C)([NH2+]CC1(C#N)CC1)C(=O)Nc1ccccc1 ZINC000611431008 347778499 /nfs/dbraw/zinc/77/84/99/347778499.db2.gz RRZSWLPQJMNVMN-UHFFFAOYSA-N 1 2 257.337 2.297 20 30 CEEDLO Cc1nc(CC[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cs1 ZINC000611432016 347779286 /nfs/dbraw/zinc/77/92/86/347779286.db2.gz IDDIZJMCEARHRR-HNNXBMFYSA-N 1 2 292.452 2.160 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc(C#N)cc1F ZINC000611246329 347757547 /nfs/dbraw/zinc/75/75/47/347757547.db2.gz HVCJTHZYSTZKNT-UHFFFAOYSA-N 1 2 284.294 2.144 20 30 CEEDLO C[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1F ZINC000611502726 347785920 /nfs/dbraw/zinc/78/59/20/347785920.db2.gz XIFYVCOKNXDHOV-KGLIPLIRSA-N 1 2 295.402 2.351 20 30 CEEDLO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1F ZINC000611502726 347785921 /nfs/dbraw/zinc/78/59/21/347785921.db2.gz XIFYVCOKNXDHOV-KGLIPLIRSA-N 1 2 295.402 2.351 20 30 CEEDLO C[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1F ZINC000611502727 347786029 /nfs/dbraw/zinc/78/60/29/347786029.db2.gz XIFYVCOKNXDHOV-UONOGXRCSA-N 1 2 295.402 2.351 20 30 CEEDLO C[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1F ZINC000611502727 347786030 /nfs/dbraw/zinc/78/60/30/347786030.db2.gz XIFYVCOKNXDHOV-UONOGXRCSA-N 1 2 295.402 2.351 20 30 CEEDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161056 347851397 /nfs/dbraw/zinc/85/13/97/347851397.db2.gz NZWIZOOCLLPTLN-XJKSGUPXSA-N 1 2 277.412 2.449 20 30 CEEDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161056 347851399 /nfs/dbraw/zinc/85/13/99/347851399.db2.gz NZWIZOOCLLPTLN-XJKSGUPXSA-N 1 2 277.412 2.449 20 30 CEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163660 347852274 /nfs/dbraw/zinc/85/22/74/347852274.db2.gz VVWZXNFJKSYJNC-CRAIPNDOSA-N 1 2 299.418 2.359 20 30 CEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163660 347852277 /nfs/dbraw/zinc/85/22/77/347852277.db2.gz VVWZXNFJKSYJNC-CRAIPNDOSA-N 1 2 299.418 2.359 20 30 CEEDLO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000612166558 347852615 /nfs/dbraw/zinc/85/26/15/347852615.db2.gz VSFZPAHFXUUZGS-DZGCQCFKSA-N 1 2 263.385 2.011 20 30 CEEDLO CC(C)N1CCC[C@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000612166558 347852618 /nfs/dbraw/zinc/85/26/18/347852618.db2.gz VSFZPAHFXUUZGS-DZGCQCFKSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000612167466 347853411 /nfs/dbraw/zinc/85/34/11/347853411.db2.gz NOGNHSRSQMOGBB-CJNGLKHVSA-N 1 2 292.354 2.191 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000612167466 347853416 /nfs/dbraw/zinc/85/34/16/347853416.db2.gz NOGNHSRSQMOGBB-CJNGLKHVSA-N 1 2 292.354 2.191 20 30 CEEDLO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000612529996 347898677 /nfs/dbraw/zinc/89/86/77/347898677.db2.gz MCQFIVXRBIACEH-JTQLQIEISA-N 1 2 285.351 2.485 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000613353402 348030894 /nfs/dbraw/zinc/03/08/94/348030894.db2.gz OHTYFQVHVYKYPI-JSGCOSHPSA-N 1 2 289.379 2.254 20 30 CEEDLO C=C[C@@H](O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614055463 348140157 /nfs/dbraw/zinc/14/01/57/348140157.db2.gz LMSBSXQBTDTTQW-OAHLLOKOSA-N 1 2 297.358 2.372 20 30 CEEDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(Cl)cc1C#N ZINC000614159508 348152541 /nfs/dbraw/zinc/15/25/41/348152541.db2.gz BZQPRSRDKOUODO-UHFFFAOYSA-N 1 2 279.771 2.122 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(Cl)cc1C#N ZINC000614159508 348152543 /nfs/dbraw/zinc/15/25/43/348152543.db2.gz BZQPRSRDKOUODO-UHFFFAOYSA-N 1 2 279.771 2.122 20 30 CEEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCC(C#N)CC1 ZINC000335399685 282591703 /nfs/dbraw/zinc/59/17/03/282591703.db2.gz XIALJNHVNIKPEP-UHFFFAOYSA-N 1 2 258.300 2.452 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)c(F)c1 ZINC000357358886 233054418 /nfs/dbraw/zinc/05/44/18/233054418.db2.gz XPDGXGJYMUUXBH-HNNXBMFYSA-N 1 2 283.306 2.014 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000617781539 348790785 /nfs/dbraw/zinc/79/07/85/348790785.db2.gz OYRBMLUWYCICBV-HNNXBMFYSA-N 1 2 292.423 2.056 20 30 CEEDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618741149 349034912 /nfs/dbraw/zinc/03/49/12/349034912.db2.gz CTYGMZXAPUBBDZ-OAHLLOKOSA-N 1 2 252.321 2.367 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c[nH+]1 ZINC000618893588 349062254 /nfs/dbraw/zinc/06/22/54/349062254.db2.gz PSCDSPWXZWFLOT-ZDUSSCGKSA-N 1 2 266.304 2.007 20 30 CEEDLO C=C[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OC ZINC000619703541 349224031 /nfs/dbraw/zinc/22/40/31/349224031.db2.gz MWGBMRVSJDFNNW-RKDXNWHRSA-N 1 2 253.264 2.425 20 30 CEEDLO C=C[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000619703782 349224894 /nfs/dbraw/zinc/22/48/94/349224894.db2.gz SBNXXMUKNNGUEU-WFASDCNBSA-N 1 2 277.364 2.191 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000619717815 349227089 /nfs/dbraw/zinc/22/70/89/349227089.db2.gz MGHFTLKBHPYGFK-SMDDNHRTSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000619717815 349227091 /nfs/dbraw/zinc/22/70/91/349227091.db2.gz MGHFTLKBHPYGFK-SMDDNHRTSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000619722537 349229688 /nfs/dbraw/zinc/22/96/88/349229688.db2.gz OGLQSYZSBQUHRG-GFCCVEGCSA-N 1 2 280.393 2.359 20 30 CEEDLO Cc1ccc(N2CCN(c3c[nH+]ccc3C)CC2)nc1C#N ZINC000619589442 349202977 /nfs/dbraw/zinc/20/29/77/349202977.db2.gz QSVHGKGBRKYBSY-UHFFFAOYSA-N 1 2 293.374 2.292 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000624166462 350213625 /nfs/dbraw/zinc/21/36/25/350213625.db2.gz AOIJUCAVXUBPNL-YNEHKIRRSA-N 1 2 274.368 2.497 20 30 CEEDLO N#C[C@H]1C[NH2+]CCN1CCC12CC3CC(CC(C3)C1)C2 ZINC000091749260 180246076 /nfs/dbraw/zinc/24/60/76/180246076.db2.gz NHUJBCOBSZCRHX-KLZNEWFBSA-N 1 2 273.424 2.390 20 30 CEEDLO CC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@@H](C)C#N ZINC000091982893 180297477 /nfs/dbraw/zinc/29/74/77/180297477.db2.gz HQARZXGLCYNWJZ-LBPRGKRZSA-N 1 2 290.363 2.448 20 30 CEEDLO CC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@@H](C)C#N ZINC000091982893 180297478 /nfs/dbraw/zinc/29/74/78/180297478.db2.gz HQARZXGLCYNWJZ-LBPRGKRZSA-N 1 2 290.363 2.448 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361345 180368377 /nfs/dbraw/zinc/36/83/77/180368377.db2.gz HEENVQBQNFQHCE-MRXNPFEDSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CC[N@H+](Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361345 180368378 /nfs/dbraw/zinc/36/83/78/180368378.db2.gz HEENVQBQNFQHCE-MRXNPFEDSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CCCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625496719 350514416 /nfs/dbraw/zinc/51/44/16/350514416.db2.gz RVIZEXCPFMRKLM-INIZCTEOSA-N 1 2 285.395 2.447 20 30 CEEDLO C=CCCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625496719 350514421 /nfs/dbraw/zinc/51/44/21/350514421.db2.gz RVIZEXCPFMRKLM-INIZCTEOSA-N 1 2 285.395 2.447 20 30 CEEDLO C#CCSCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000130618955 365973609 /nfs/dbraw/zinc/97/36/09/365973609.db2.gz SVPKGSFVNBCIRT-UHFFFAOYSA-N 1 2 299.399 2.028 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC(F)(F)C[C@@H]2C)nn1 ZINC000625981603 350620393 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C#C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(C)(C)C ZINC000288661099 395064937 /nfs/dbraw/zinc/06/49/37/395064937.db2.gz RLGYWLPIRJPYOW-CQSZACIVSA-N 1 2 298.390 2.224 20 30 CEEDLO C=C1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000289255919 395073905 /nfs/dbraw/zinc/07/39/05/395073905.db2.gz CRXGLTHTSWECEP-UHFFFAOYSA-N 1 2 266.366 2.341 20 30 CEEDLO C=CCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374364773 395081556 /nfs/dbraw/zinc/08/15/56/395081556.db2.gz MNRHCZKUZPDRPT-CQSZACIVSA-N 1 2 262.328 2.265 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCc2noc(C(C)C)n2)c1 ZINC000174214273 395121549 /nfs/dbraw/zinc/12/15/49/395121549.db2.gz BCACVLAYSOYJHO-UHFFFAOYSA-N 1 2 290.323 2.039 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000376193528 395112643 /nfs/dbraw/zinc/11/26/43/395112643.db2.gz CWIJJNQQAXQIDW-MRXNPFEDSA-N 1 2 293.370 2.108 20 30 CEEDLO COc1cc(C[N@@H+]2CCc3nc(C)ncc3C2)ccc1C#N ZINC000515975006 395176621 /nfs/dbraw/zinc/17/66/21/395176621.db2.gz NRGYPQLDZZYXCF-UHFFFAOYSA-N 1 2 294.358 2.224 20 30 CEEDLO COc1cc(C[N@H+]2CCc3nc(C)ncc3C2)ccc1C#N ZINC000515975006 395176629 /nfs/dbraw/zinc/17/66/29/395176629.db2.gz NRGYPQLDZZYXCF-UHFFFAOYSA-N 1 2 294.358 2.224 20 30 CEEDLO COc1cccc2c1CC[N@H+](C[C@H](C#N)CCC#N)C2 ZINC000182685010 395246260 /nfs/dbraw/zinc/24/62/60/395246260.db2.gz PLOVZRAYCUZRTO-ZDUSSCGKSA-N 1 2 269.348 2.497 20 30 CEEDLO COc1cccc2c1CC[N@@H+](C[C@H](C#N)CCC#N)C2 ZINC000182685010 395246267 /nfs/dbraw/zinc/24/62/67/395246267.db2.gz PLOVZRAYCUZRTO-ZDUSSCGKSA-N 1 2 269.348 2.497 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nccn1C ZINC000182857526 395249568 /nfs/dbraw/zinc/24/95/68/395249568.db2.gz OKJHHJSVIKFMBA-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO C=C(CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000350948864 395189237 /nfs/dbraw/zinc/18/92/37/395189237.db2.gz JFJGVEMUJSRUHA-AWEZNQCLSA-N 1 2 284.363 2.284 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000351098024 395190931 /nfs/dbraw/zinc/19/09/31/395190931.db2.gz KASFQBZLWLTFTD-UHFFFAOYSA-N 1 2 297.424 2.150 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1csc(N(CCOC)C(C)=O)n1 ZINC000351098024 395190934 /nfs/dbraw/zinc/19/09/34/395190934.db2.gz KASFQBZLWLTFTD-UHFFFAOYSA-N 1 2 297.424 2.150 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179491821 395195229 /nfs/dbraw/zinc/19/52/29/395195229.db2.gz LKPZHARLCDVVKK-JSGCOSHPSA-N 1 2 298.394 2.305 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179491821 395195232 /nfs/dbraw/zinc/19/52/32/395195232.db2.gz LKPZHARLCDVVKK-JSGCOSHPSA-N 1 2 298.394 2.305 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1(C)CCCCC1 ZINC000519649953 395203412 /nfs/dbraw/zinc/20/34/12/395203412.db2.gz LPGNEPZCPNGCIY-OAHLLOKOSA-N 1 2 265.401 2.307 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000352979705 395282850 /nfs/dbraw/zinc/28/28/50/395282850.db2.gz AHMASVXIXRKGPW-MRXNPFEDSA-N 1 2 293.411 2.384 20 30 CEEDLO COc1ccc[nH+]c1N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000528026312 395283026 /nfs/dbraw/zinc/28/30/26/395283026.db2.gz PCEPDIUCVSEPCV-ZDUSSCGKSA-N 1 2 296.330 2.015 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCc2ccccc2NC1=O ZINC000188333249 395314589 /nfs/dbraw/zinc/31/45/89/395314589.db2.gz KXDORQFXUDNIHZ-SWLSCSKDSA-N 1 2 271.364 2.421 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCc2ccccc2NC1=O ZINC000188333249 395314594 /nfs/dbraw/zinc/31/45/94/395314594.db2.gz KXDORQFXUDNIHZ-SWLSCSKDSA-N 1 2 271.364 2.421 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000192225161 395377035 /nfs/dbraw/zinc/37/70/35/395377035.db2.gz RZHFXHGPWYEKDX-SNVBAGLBSA-N 1 2 295.180 2.341 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000192225161 395377040 /nfs/dbraw/zinc/37/70/40/395377040.db2.gz RZHFXHGPWYEKDX-SNVBAGLBSA-N 1 2 295.180 2.341 20 30 CEEDLO N#CC[N@H+](CCO[C@@H]1CCCCO1)C1CCCC1 ZINC000193057053 395399698 /nfs/dbraw/zinc/39/96/98/395399698.db2.gz WLQXNILXEIUOGT-CQSZACIVSA-N 1 2 252.358 2.298 20 30 CEEDLO N#CC[N@@H+](CCO[C@@H]1CCCCO1)C1CCCC1 ZINC000193057053 395399700 /nfs/dbraw/zinc/39/97/00/395399700.db2.gz WLQXNILXEIUOGT-CQSZACIVSA-N 1 2 252.358 2.298 20 30 CEEDLO COC(=O)C1([NH2+]CCC2(C#N)CCCCC2)CCOCC1 ZINC000411785749 395338750 /nfs/dbraw/zinc/33/87/50/395338750.db2.gz BSICCRSQJAXCQT-UHFFFAOYSA-N 1 2 294.395 2.162 20 30 CEEDLO C=CCOCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411923324 395341325 /nfs/dbraw/zinc/34/13/25/395341325.db2.gz NUBBUONYEQEPKY-LBPRGKRZSA-N 1 2 269.385 2.384 20 30 CEEDLO C=CCOCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411923324 395341328 /nfs/dbraw/zinc/34/13/28/395341328.db2.gz NUBBUONYEQEPKY-LBPRGKRZSA-N 1 2 269.385 2.384 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCOCCC#N)C1CC1 ZINC000411926809 395342422 /nfs/dbraw/zinc/34/24/22/395342422.db2.gz WQVXOBBNEIDYOF-LBPRGKRZSA-N 1 2 282.384 2.111 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCOCCC#N)C1CC1 ZINC000411926809 395342424 /nfs/dbraw/zinc/34/24/24/395342424.db2.gz WQVXOBBNEIDYOF-LBPRGKRZSA-N 1 2 282.384 2.111 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191109707 395347811 /nfs/dbraw/zinc/34/78/11/395347811.db2.gz CQQRLHDMSOCRNV-CYBMUJFWSA-N 1 2 287.363 2.020 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191109707 395347816 /nfs/dbraw/zinc/34/78/16/395347816.db2.gz CQQRLHDMSOCRNV-CYBMUJFWSA-N 1 2 287.363 2.020 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)OC ZINC000533483052 395461835 /nfs/dbraw/zinc/46/18/35/395461835.db2.gz ZISPHWZWFIGXIQ-AWEZNQCLSA-N 1 2 290.363 2.129 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)OC ZINC000533483052 395461838 /nfs/dbraw/zinc/46/18/38/395461838.db2.gz ZISPHWZWFIGXIQ-AWEZNQCLSA-N 1 2 290.363 2.129 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCC23CCC3)c1C#N ZINC000534472185 395462996 /nfs/dbraw/zinc/46/29/96/395462996.db2.gz LHGZMEUXNXMGKP-UHFFFAOYSA-N 1 2 270.332 2.473 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCC23CCC3)c1C#N ZINC000534472185 395463000 /nfs/dbraw/zinc/46/30/00/395463000.db2.gz LHGZMEUXNXMGKP-UHFFFAOYSA-N 1 2 270.332 2.473 20 30 CEEDLO C=CCCCCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000573575829 395610504 /nfs/dbraw/zinc/61/05/04/395610504.db2.gz DHTBVBHRBZZLRR-CYBMUJFWSA-N 1 2 276.384 2.244 20 30 CEEDLO CC[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(C)C ZINC000568399245 395557778 /nfs/dbraw/zinc/55/77/78/395557778.db2.gz GLJBJHFQQAGWHH-JSGCOSHPSA-N 1 2 253.390 2.019 20 30 CEEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000574045962 395625428 /nfs/dbraw/zinc/62/54/28/395625428.db2.gz YDMQVNHAUAEPKI-XJKSGUPXSA-N 1 2 273.380 2.140 20 30 CEEDLO Cc1cc(N[C@@H]2CC(C)(C)OC2(C)C)c(C#N)c[nH+]1 ZINC000574686413 395635000 /nfs/dbraw/zinc/63/50/00/395635000.db2.gz SYKVVRQBGZEKNJ-CYBMUJFWSA-N 1 2 259.353 2.442 20 30 CEEDLO Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)c(C#N)c[nH+]1 ZINC000574686414 395635032 /nfs/dbraw/zinc/63/50/32/395635032.db2.gz SYKVVRQBGZEKNJ-ZDUSSCGKSA-N 1 2 259.353 2.442 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459331152 395666021 /nfs/dbraw/zinc/66/60/21/395666021.db2.gz UUBBMRVDURZKDG-LLVKDONJSA-N 1 2 275.308 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459331152 395666022 /nfs/dbraw/zinc/66/60/22/395666022.db2.gz UUBBMRVDURZKDG-LLVKDONJSA-N 1 2 275.308 2.077 20 30 CEEDLO Cc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C#N ZINC000487772010 395667489 /nfs/dbraw/zinc/66/74/89/395667489.db2.gz YRPMHIDMSJYPOM-OAHLLOKOSA-N 1 2 280.331 2.314 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491070428 395669134 /nfs/dbraw/zinc/66/91/34/395669134.db2.gz BKZZWMUMTFDBSK-UHFFFAOYSA-N 1 2 270.332 2.188 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491070428 395669135 /nfs/dbraw/zinc/66/91/35/395669135.db2.gz BKZZWMUMTFDBSK-UHFFFAOYSA-N 1 2 270.332 2.188 20 30 CEEDLO C=CCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000649497379 396171096 /nfs/dbraw/zinc/17/10/96/396171096.db2.gz GBDVMPLEFHPQTH-CQSZACIVSA-N 1 2 284.363 2.189 20 30 CEEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)ccc1C#N ZINC000488986382 400587044 /nfs/dbraw/zinc/58/70/44/400587044.db2.gz RVVAKURBZJRFHE-MRXNPFEDSA-N 1 2 285.391 2.213 20 30 CEEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)ccc1C#N ZINC000488986382 400587048 /nfs/dbraw/zinc/58/70/48/400587048.db2.gz RVVAKURBZJRFHE-MRXNPFEDSA-N 1 2 285.391 2.213 20 30 CEEDLO C=C(CC)CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000652403378 401503698 /nfs/dbraw/zinc/50/36/98/401503698.db2.gz YLCPPKKPUJQNEA-UHFFFAOYSA-N 1 2 286.379 2.451 20 30 CEEDLO C=C(C)[C@@H](CC(=O)NC(C)(C)c1[nH]cc[nH+]1)OCC ZINC000652411940 401506348 /nfs/dbraw/zinc/50/63/48/401506348.db2.gz AOBSIAJHRSSKDS-LLVKDONJSA-N 1 2 265.357 2.132 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000360723473 155357253 /nfs/dbraw/zinc/35/72/53/155357253.db2.gz UKNIZFICMVPQDB-UHFFFAOYSA-N 1 2 298.346 2.097 20 30 CEEDLO N#Cc1cnc2ccccc2c1NCCNc1cccc[nH+]1 ZINC000359683232 155112029 /nfs/dbraw/zinc/11/20/29/155112029.db2.gz ZLKIYVSJMLABJG-UHFFFAOYSA-N 1 2 289.342 2.447 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000368449789 156346989 /nfs/dbraw/zinc/34/69/89/156346989.db2.gz CZUOADICLKWXEK-HZPDHXFCSA-N 1 2 298.342 2.258 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000368449789 156346992 /nfs/dbraw/zinc/34/69/92/156346992.db2.gz CZUOADICLKWXEK-HZPDHXFCSA-N 1 2 298.342 2.258 20 30 CEEDLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352449181 286747898 /nfs/dbraw/zinc/74/78/98/286747898.db2.gz LMXQVVDRNIOFII-NSHDSACASA-N 1 2 270.348 2.434 20 30 CEEDLO C[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329729794 287256623 /nfs/dbraw/zinc/25/66/23/287256623.db2.gz PIFHNBWZWOIAKX-MNOVXSKESA-N 1 2 262.357 2.055 20 30 CEEDLO C[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329729794 287256625 /nfs/dbraw/zinc/25/66/25/287256625.db2.gz PIFHNBWZWOIAKX-MNOVXSKESA-N 1 2 262.357 2.055 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653909310 414786351 /nfs/dbraw/zinc/78/63/51/414786351.db2.gz FPZYMVUASVPVOE-HIFRSBDPSA-N 1 2 299.374 2.239 20 30 CEEDLO Cc1cc(NC[C@H](CO)c2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425270484 414814418 /nfs/dbraw/zinc/81/44/18/414814418.db2.gz SVDJMIIVDSZRDR-CQSZACIVSA-N 1 2 285.322 2.011 20 30 CEEDLO C=CCOCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000653184753 414939462 /nfs/dbraw/zinc/93/94/62/414939462.db2.gz ZSLAQKPYNSAROY-UHFFFAOYSA-N 1 2 263.341 2.331 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2COCc3ccccc32)nn1 ZINC000657495748 414973812 /nfs/dbraw/zinc/97/38/12/414973812.db2.gz ZQPDQMIKKHBJBQ-INIZCTEOSA-N 1 2 284.363 2.215 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654645124 414994482 /nfs/dbraw/zinc/99/44/82/414994482.db2.gz BFLCDZALZXMDJE-VIFPVBQESA-N 1 2 275.274 2.165 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654645124 414994485 /nfs/dbraw/zinc/99/44/85/414994485.db2.gz BFLCDZALZXMDJE-VIFPVBQESA-N 1 2 275.274 2.165 20 30 CEEDLO C=CCCCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661033684 415072592 /nfs/dbraw/zinc/07/25/92/415072592.db2.gz KFKBFTGIFSWXDJ-LLVKDONJSA-N 1 2 250.346 2.137 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)nn1 ZINC000653557114 415032074 /nfs/dbraw/zinc/03/20/74/415032074.db2.gz CIGTXYVMVKFARU-NWDGAFQWSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)nn1 ZINC000653557114 415032079 /nfs/dbraw/zinc/03/20/79/415032079.db2.gz CIGTXYVMVKFARU-NWDGAFQWSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)CCN(C)c2ccccc2)nn1 ZINC000653554566 415033021 /nfs/dbraw/zinc/03/30/21/415033021.db2.gz KAXQIDMYETVMHD-UHFFFAOYSA-N 1 2 299.422 2.422 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)CCN(C)c2ccccc2)nn1 ZINC000653554566 415033023 /nfs/dbraw/zinc/03/30/23/415033023.db2.gz KAXQIDMYETVMHD-UHFFFAOYSA-N 1 2 299.422 2.422 20 30 CEEDLO C=CCCn1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)nn1 ZINC000653560240 415034518 /nfs/dbraw/zinc/03/45/18/415034518.db2.gz KXHBGSACKGUIGR-RYUDHWBXSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CC[N@H+](Cc1nc(N)c2ccccc2n1)[C@H](C)COC ZINC000661243702 415154624 /nfs/dbraw/zinc/15/46/24/415154624.db2.gz LXOMDERWWQMMKY-GFCCVEGCSA-N 1 2 286.379 2.235 20 30 CEEDLO C=CC[N@@H+](Cc1nc(N)c2ccccc2n1)[C@H](C)COC ZINC000661243702 415154629 /nfs/dbraw/zinc/15/46/29/415154629.db2.gz LXOMDERWWQMMKY-GFCCVEGCSA-N 1 2 286.379 2.235 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)OC[C@H]2CC)nn1 ZINC000653778879 415102681 /nfs/dbraw/zinc/10/26/81/415102681.db2.gz QTYVWFDMJCVCGM-CQSZACIVSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)OC[C@H]2CC)nn1 ZINC000653778879 415102687 /nfs/dbraw/zinc/10/26/87/415102687.db2.gz QTYVWFDMJCVCGM-CQSZACIVSA-N 1 2 278.400 2.244 20 30 CEEDLO C[N@@H+]1CCN(C(=O)C(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000044752399 175245587 /nfs/dbraw/zinc/24/55/87/175245587.db2.gz AELJVUJLZBACBF-CQSZACIVSA-N 1 2 271.364 2.051 20 30 CEEDLO C[N@H+]1CCN(C(=O)C(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000044752399 175245589 /nfs/dbraw/zinc/24/55/89/175245589.db2.gz AELJVUJLZBACBF-CQSZACIVSA-N 1 2 271.364 2.051 20 30 CEEDLO C=CCCCC[C@@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156039 415236032 /nfs/dbraw/zinc/23/60/32/415236032.db2.gz GNFDMQOGQRGXJZ-LLVKDONJSA-N 1 2 252.362 2.176 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cscn1 ZINC000661425431 415259191 /nfs/dbraw/zinc/25/91/91/415259191.db2.gz STYUMRRDLSAMCE-LLVKDONJSA-N 1 2 267.398 2.218 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000661381522 415231422 /nfs/dbraw/zinc/23/14/22/415231422.db2.gz MQURFXUBFMANMH-LLVKDONJSA-N 1 2 266.414 2.392 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000661381522 415231427 /nfs/dbraw/zinc/23/14/27/415231427.db2.gz MQURFXUBFMANMH-LLVKDONJSA-N 1 2 266.414 2.392 20 30 CEEDLO C=CC1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000662094593 415625618 /nfs/dbraw/zinc/62/56/18/415625618.db2.gz KIXSPQYRRANIHO-LLVKDONJSA-N 1 2 262.357 2.089 20 30 CEEDLO C=CCCn1cc(CNc2[nH+]cccc2OC(F)F)nn1 ZINC000656771311 415853332 /nfs/dbraw/zinc/85/33/32/415853332.db2.gz MLVURXAALDLFRW-UHFFFAOYSA-N 1 2 295.293 2.463 20 30 CEEDLO C=CCN1C(=O)c2ccccc2N[C@H]1c1[nH]c[nH+]c1C ZINC000078752572 177381601 /nfs/dbraw/zinc/38/16/01/177381601.db2.gz AJEINNZEVUIQRL-CQSZACIVSA-N 1 2 268.320 2.471 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000347397828 226146675 /nfs/dbraw/zinc/14/66/75/226146675.db2.gz ZGMLTUQDXZLTBN-OLZOCXBDSA-N 1 2 296.798 2.480 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000347397828 226146678 /nfs/dbraw/zinc/14/66/78/226146678.db2.gz ZGMLTUQDXZLTBN-OLZOCXBDSA-N 1 2 296.798 2.480 20 30 CEEDLO CCn1cnnc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000329118484 227308257 /nfs/dbraw/zinc/30/82/57/227308257.db2.gz ONDVPVQIYBBXGX-GFCCVEGCSA-N 1 2 299.378 2.333 20 30 CEEDLO CCn1cnnc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000329118484 227308261 /nfs/dbraw/zinc/30/82/61/227308261.db2.gz ONDVPVQIYBBXGX-GFCCVEGCSA-N 1 2 299.378 2.333 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1nnnn1-c1ccccc1 ZINC000331483118 228106311 /nfs/dbraw/zinc/10/63/11/228106311.db2.gz FITPQWJEQPWFBF-SCRDCRAPSA-N 1 2 282.351 2.005 20 30 CEEDLO Cc1[nH+]ccn1C[C@H]1CCCN1C([O-])=[NH+]CC1(C)CC1 ZINC000330198323 228063307 /nfs/dbraw/zinc/06/33/07/228063307.db2.gz TVWIJRCSLRZQIN-CYBMUJFWSA-N 1 2 276.384 2.370 20 30 CEEDLO N#Cc1csc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)n1 ZINC000356127554 228132626 /nfs/dbraw/zinc/13/26/26/228132626.db2.gz WMHKFOQZRCJZLZ-HNNXBMFYSA-N 1 2 299.399 2.497 20 30 CEEDLO N#Cc1csc(C[N@H+](CCO)[C@H]2CCc3ccccc32)n1 ZINC000356127554 228132627 /nfs/dbraw/zinc/13/26/27/228132627.db2.gz WMHKFOQZRCJZLZ-HNNXBMFYSA-N 1 2 299.399 2.497 20 30 CEEDLO C#C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)C ZINC000297973983 260139312 /nfs/dbraw/zinc/13/93/12/260139312.db2.gz MCQJTGSLVMHHHQ-QWHCGFSZSA-N 1 2 274.368 2.304 20 30 CEEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000299452779 260186940 /nfs/dbraw/zinc/18/69/40/260186940.db2.gz ZIKYTRIVIDVOCS-HNNXBMFYSA-N 1 2 268.360 2.199 20 30 CEEDLO CC(C)c1nc(CO[NH+]=C(N)c2ccc(F)c(F)c2)no1 ZINC000067099102 260250489 /nfs/dbraw/zinc/25/04/89/260250489.db2.gz KKDPYFMXPCOOEN-UHFFFAOYSA-N 1 2 296.277 2.308 20 30 CEEDLO Cc1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)ccc1C#N ZINC000449406377 260528153 /nfs/dbraw/zinc/52/81/53/260528153.db2.gz AGMWDAODNSXWJY-UHFFFAOYSA-N 1 2 267.336 2.152 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1 ZINC000491127435 261341649 /nfs/dbraw/zinc/34/16/49/261341649.db2.gz WNRKLHWCDLXGHH-UHFFFAOYSA-N 1 2 298.411 2.500 20 30 CEEDLO C#CC[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1 ZINC000491127435 261341651 /nfs/dbraw/zinc/34/16/51/261341651.db2.gz WNRKLHWCDLXGHH-UHFFFAOYSA-N 1 2 298.411 2.500 20 30 CEEDLO C[N@H+](CCC#N)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000497247181 262122344 /nfs/dbraw/zinc/12/23/44/262122344.db2.gz RXYWRJQZXPMIHD-UHFFFAOYSA-N 1 2 267.373 2.279 20 30 CEEDLO C[N@@H+](CCC#N)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000497247181 262122346 /nfs/dbraw/zinc/12/23/46/262122346.db2.gz RXYWRJQZXPMIHD-UHFFFAOYSA-N 1 2 267.373 2.279 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CC1(CS(C)(=O)=O)CC1 ZINC000336805223 262395645 /nfs/dbraw/zinc/39/56/45/262395645.db2.gz VTWNLZHETRAOFA-UHFFFAOYSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CC1(CS(C)(=O)=O)CC1 ZINC000336805223 262395646 /nfs/dbraw/zinc/39/56/46/262395646.db2.gz VTWNLZHETRAOFA-UHFFFAOYSA-N 1 2 286.441 2.073 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](COc3ccccc3)C2)C1 ZINC000339126812 262600077 /nfs/dbraw/zinc/60/00/77/262600077.db2.gz HGXLNJOYNSREHV-INMHGKMJSA-N 1 2 286.375 2.458 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](COc3ccccc3)C2)C1 ZINC000339126812 262600078 /nfs/dbraw/zinc/60/00/78/262600078.db2.gz HGXLNJOYNSREHV-INMHGKMJSA-N 1 2 286.375 2.458 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(SC)cc1 ZINC000411305989 262688279 /nfs/dbraw/zinc/68/82/79/262688279.db2.gz KMWOOZTTYYLWHN-ZDUSSCGKSA-N 1 2 294.420 2.384 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(SC)cc1 ZINC000411305989 262688280 /nfs/dbraw/zinc/68/82/80/262688280.db2.gz KMWOOZTTYYLWHN-ZDUSSCGKSA-N 1 2 294.420 2.384 20 30 CEEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000139054242 262724541 /nfs/dbraw/zinc/72/45/41/262724541.db2.gz QDSSPWYUUNPYQO-GFCCVEGCSA-N 1 2 255.321 2.273 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000272574173 263006939 /nfs/dbraw/zinc/00/69/39/263006939.db2.gz NKWSLSPXLBGOFB-UHFFFAOYSA-N 1 2 272.348 2.355 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC#N)c1C ZINC000273300685 263014774 /nfs/dbraw/zinc/01/47/74/263014774.db2.gz UIURSYGDVXDTNG-UHFFFAOYSA-N 1 2 290.367 2.152 20 30 CEEDLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)CCC#N)C[C@@H]2O ZINC000276280607 263035645 /nfs/dbraw/zinc/03/56/45/263035645.db2.gz FROJOQSCOOHIGR-AAEUAGOBSA-N 1 2 290.363 2.245 20 30 CEEDLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)CCC#N)C[C@@H]2O ZINC000276280607 263035646 /nfs/dbraw/zinc/03/56/46/263035646.db2.gz FROJOQSCOOHIGR-AAEUAGOBSA-N 1 2 290.363 2.245 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278571857 263049046 /nfs/dbraw/zinc/04/90/46/263049046.db2.gz JIWPRGNMMIOEEY-LSDHHAIUSA-N 1 2 288.395 2.101 20 30 CEEDLO CC1(C#N)CN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000280923926 263065160 /nfs/dbraw/zinc/06/51/60/263065160.db2.gz GNZDEBIWBRLBEJ-UHFFFAOYSA-N 1 2 260.728 2.333 20 30 CEEDLO CC(C)N(C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)C(C)C ZINC000353465547 263079474 /nfs/dbraw/zinc/07/94/74/263079474.db2.gz XRLAQUUMZSCNSW-OLZOCXBDSA-N 1 2 253.390 2.112 20 30 CEEDLO CC(C)N(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)C(C)C ZINC000353465547 263079475 /nfs/dbraw/zinc/07/94/75/263079475.db2.gz XRLAQUUMZSCNSW-OLZOCXBDSA-N 1 2 253.390 2.112 20 30 CEEDLO CC(C)(C)[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000284102144 263085929 /nfs/dbraw/zinc/08/59/29/263085929.db2.gz SNVJVZMGHLADQW-AWEZNQCLSA-N 1 2 261.369 2.204 20 30 CEEDLO CC(C)(C)[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000284102144 263085930 /nfs/dbraw/zinc/08/59/30/263085930.db2.gz SNVJVZMGHLADQW-AWEZNQCLSA-N 1 2 261.369 2.204 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000285723066 263095209 /nfs/dbraw/zinc/09/52/09/263095209.db2.gz UQTBWCUISPBJDK-HNNXBMFYSA-N 1 2 274.368 2.330 20 30 CEEDLO COC(=O)[C@H]([NH2+]CCCCC#N)c1ccc2c(c1)CCO2 ZINC000289317262 263109110 /nfs/dbraw/zinc/10/91/10/263109110.db2.gz JQGXENHOTJEHHZ-OAHLLOKOSA-N 1 2 288.347 2.119 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289982354 263113726 /nfs/dbraw/zinc/11/37/26/263113726.db2.gz RRVQVSLIDJGTOX-YPMHNXCESA-N 1 2 277.759 2.227 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289982354 263113727 /nfs/dbraw/zinc/11/37/27/263113727.db2.gz RRVQVSLIDJGTOX-YPMHNXCESA-N 1 2 277.759 2.227 20 30 CEEDLO N#CCCCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000291062899 263119890 /nfs/dbraw/zinc/11/98/90/263119890.db2.gz KEZLGEASHHCPPC-UHFFFAOYSA-N 1 2 267.292 2.154 20 30 CEEDLO COCC1(CO[NH+]=C(N)c2ccc(F)c(F)c2)CCC1 ZINC000291733548 263125131 /nfs/dbraw/zinc/12/51/31/263125131.db2.gz ASUOVEFKAGUCHB-UHFFFAOYSA-N 1 2 284.306 2.418 20 30 CEEDLO COCC(C)(C)C/[NH+]=C/c1cccc(OC)c1O ZINC000292069369 263127914 /nfs/dbraw/zinc/12/79/14/263127914.db2.gz KYGHKCIFHTWSDL-OVCLIPMQSA-N 1 2 251.326 2.492 20 30 CEEDLO CC[C@](C)([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OC ZINC000293209978 263138673 /nfs/dbraw/zinc/13/86/73/263138673.db2.gz PJOFBNCMHCKXPA-HNNXBMFYSA-N 1 2 276.336 2.020 20 30 CEEDLO C#CCCCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000120027576 263280969 /nfs/dbraw/zinc/28/09/69/263280969.db2.gz ZINRLRNOHRYHAF-UHFFFAOYSA-N 1 2 296.374 2.475 20 30 CEEDLO CC(C)C[C@H](CNC(=O)c1cncs1)[NH+]1CCOCC1 ZINC000330499538 263958579 /nfs/dbraw/zinc/95/85/79/263958579.db2.gz JJQUTNOAUWYHDZ-GFCCVEGCSA-N 1 2 297.424 2.195 20 30 CEEDLO COc1cc(C)sc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330763420 264031799 /nfs/dbraw/zinc/03/17/99/264031799.db2.gz QHCPBCUWBOEDMB-JTQLQIEISA-N 1 2 298.408 2.090 20 30 CEEDLO COc1cc(C)sc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330763420 264031800 /nfs/dbraw/zinc/03/18/00/264031800.db2.gz QHCPBCUWBOEDMB-JTQLQIEISA-N 1 2 298.408 2.090 20 30 CEEDLO CCN1CCN(C(=O)NCCC(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331032485 264120227 /nfs/dbraw/zinc/12/02/27/264120227.db2.gz VEZRDKWUBQRCJA-CYBMUJFWSA-N 1 2 293.415 2.048 20 30 CEEDLO Cc1cc(C)c(NC(=O)N(C)CC[C@H](C)O)c(C)[nH+]1 ZINC000331309487 264186641 /nfs/dbraw/zinc/18/66/41/264186641.db2.gz HCTOLLNVHGFFIF-NSHDSACASA-N 1 2 265.357 2.255 20 30 CEEDLO COC(=O)[C@@H](CC[N@H+](C)CCC#N)c1ccccc1 ZINC000425411343 264293855 /nfs/dbraw/zinc/29/38/55/264293855.db2.gz ARLRTYCQIFGAFV-AWEZNQCLSA-N 1 2 260.337 2.179 20 30 CEEDLO COC(=O)[C@@H](CC[N@@H+](C)CCC#N)c1ccccc1 ZINC000425411343 264293856 /nfs/dbraw/zinc/29/38/56/264293856.db2.gz ARLRTYCQIFGAFV-AWEZNQCLSA-N 1 2 260.337 2.179 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425500836 264363098 /nfs/dbraw/zinc/36/30/98/264363098.db2.gz MUFHKJYNXGPTCH-OAHLLOKOSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425500836 264363100 /nfs/dbraw/zinc/36/31/00/264363100.db2.gz MUFHKJYNXGPTCH-OAHLLOKOSA-N 1 2 285.326 2.126 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](CC)C(=O)OC ZINC000285115571 264548859 /nfs/dbraw/zinc/54/88/59/264548859.db2.gz MWKXACJTUAJMPI-LSDHHAIUSA-N 1 2 259.349 2.162 20 30 CEEDLO Cc1[nH+]c2ccccn2c1CSc1nnc(CC#N)n1C ZINC000357075617 266243255 /nfs/dbraw/zinc/24/32/55/266243255.db2.gz PPOOHJDDLDPMRE-UHFFFAOYSA-N 1 2 298.375 2.130 20 30 CEEDLO N#CCCCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000360033276 266672027 /nfs/dbraw/zinc/67/20/27/266672027.db2.gz ORWBRWBEMVPMJE-UHFFFAOYSA-N 1 2 287.363 2.151 20 30 CEEDLO C=C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362615624 267023507 /nfs/dbraw/zinc/02/35/07/267023507.db2.gz SLOADJNGKYXJQP-JTQLQIEISA-N 1 2 286.291 2.085 20 30 CEEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000528725285 267142318 /nfs/dbraw/zinc/14/23/18/267142318.db2.gz PFEVGXILZNMZSS-MRXNPFEDSA-N 1 2 274.364 2.104 20 30 CEEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000528725285 267142322 /nfs/dbraw/zinc/14/23/22/267142322.db2.gz PFEVGXILZNMZSS-MRXNPFEDSA-N 1 2 274.364 2.104 20 30 CEEDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)C12CCC2 ZINC000425225891 267151225 /nfs/dbraw/zinc/15/12/25/267151225.db2.gz GPPKQGCWFZEXTJ-LSDHHAIUSA-N 1 2 271.364 2.443 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc(C)cc(C#N)n1 ZINC000450825111 267256745 /nfs/dbraw/zinc/25/67/45/267256745.db2.gz DNTQKQGITAJEAM-SNVBAGLBSA-N 1 2 256.313 2.046 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1sccc1C#N ZINC000456368864 267259617 /nfs/dbraw/zinc/25/96/17/267259617.db2.gz CWWJKKYMXPENOD-VIFPVBQESA-N 1 2 274.349 2.327 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC000369804194 267268153 /nfs/dbraw/zinc/26/81/53/267268153.db2.gz RYOBKRQSIFJTJC-DLBZAZTESA-N 1 2 297.402 2.381 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000369804194 267268155 /nfs/dbraw/zinc/26/81/55/267268155.db2.gz RYOBKRQSIFJTJC-DLBZAZTESA-N 1 2 297.402 2.381 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCC1 ZINC000418143573 267365217 /nfs/dbraw/zinc/36/52/17/267365217.db2.gz QJGAYPOOMXXRIN-UHFFFAOYSA-N 1 2 256.309 2.453 20 30 CEEDLO C#CCOCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000372307636 267544048 /nfs/dbraw/zinc/54/40/48/267544048.db2.gz LUDOEQDRBNVRIW-UHFFFAOYSA-N 1 2 283.331 2.364 20 30 CEEDLO Cc1cc(NC[C@@H](CO)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425266115 267950353 /nfs/dbraw/zinc/95/03/53/267950353.db2.gz GXIDOJHHWSRIEJ-HNNXBMFYSA-N 1 2 273.380 2.284 20 30 CEEDLO Cc1cc(N(C)C[C@H](O)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425269376 268005116 /nfs/dbraw/zinc/00/51/16/268005116.db2.gz RBNDXKFAKCLIJT-MRXNPFEDSA-N 1 2 281.359 2.302 20 30 CEEDLO C=C(C)CN(C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000376826757 268020977 /nfs/dbraw/zinc/02/09/77/268020977.db2.gz DDYHNSKIOQVIMI-UHFFFAOYSA-N 1 2 264.394 2.141 20 30 CEEDLO C=C(C)CN(C)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000376826757 268020980 /nfs/dbraw/zinc/02/09/80/268020980.db2.gz DDYHNSKIOQVIMI-UHFFFAOYSA-N 1 2 264.394 2.141 20 30 CEEDLO Cc1cn2cc(NC(=O)c3ccc(C#N)cn3)ccc2[nH+]1 ZINC000522122544 268070288 /nfs/dbraw/zinc/07/02/88/268070288.db2.gz NAJVSOLPHNMURV-UHFFFAOYSA-N 1 2 277.287 2.162 20 30 CEEDLO Cc1nc(CNc2cc(C)[nH+]cc2C#N)sc1C ZINC000425240754 268077125 /nfs/dbraw/zinc/07/71/25/268077125.db2.gz ZGNBEKJLOVQLCV-UHFFFAOYSA-N 1 2 258.350 2.369 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000437577782 268102978 /nfs/dbraw/zinc/10/29/78/268102978.db2.gz KPYCSIOVCWIRPR-UHFFFAOYSA-N 1 2 266.260 2.360 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000428305398 268163093 /nfs/dbraw/zinc/16/30/93/268163093.db2.gz KLSRNLBTTXCGDJ-UHFFFAOYSA-N 1 2 297.324 2.470 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000428305398 268163094 /nfs/dbraw/zinc/16/30/94/268163094.db2.gz KLSRNLBTTXCGDJ-UHFFFAOYSA-N 1 2 297.324 2.470 20 30 CEEDLO COCC[C@@H](Cc1ccco1)Nc1cc(C)[nH+]cc1C#N ZINC000425251498 271146495 /nfs/dbraw/zinc/14/64/95/271146495.db2.gz XVLLMCUGVUXSKG-AWEZNQCLSA-N 1 2 285.347 2.336 20 30 CEEDLO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329734170 278069297 /nfs/dbraw/zinc/06/92/97/278069297.db2.gz KCDSEWCWCMLONB-XHDPSFHLSA-N 1 2 298.346 2.135 20 30 CEEDLO N#Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)[nH]1 ZINC000154742762 289153723 /nfs/dbraw/zinc/15/37/23/289153723.db2.gz CNAKADDYGWEGIB-UHFFFAOYSA-N 1 2 299.721 2.117 20 30 CEEDLO O=C(NC1CCCCCC1)N1CCn2cc[nH+]c2C1 ZINC000329827962 295376713 /nfs/dbraw/zinc/37/67/13/295376713.db2.gz IYPLXKVWQOMHQG-UHFFFAOYSA-N 1 2 262.357 2.336 20 30 CEEDLO N#Cc1cccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000270060502 303204059 /nfs/dbraw/zinc/20/40/59/303204059.db2.gz OQJXVRWSYRWPOU-GFCCVEGCSA-N 1 2 253.309 2.408 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000289860135 327630351 /nfs/dbraw/zinc/63/03/51/327630351.db2.gz QXTBOZWYKZBEDC-RNFRBKRXSA-N 1 2 277.187 2.103 20 30 CEEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC000541050855 313422425 /nfs/dbraw/zinc/42/24/25/313422425.db2.gz CADGEUHXYNNMKZ-MRXNPFEDSA-N 1 2 282.343 2.390 20 30 CEEDLO CCCCn1nnnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551714482 313595509 /nfs/dbraw/zinc/59/55/09/313595509.db2.gz XTCMVOQOBFKFHQ-UHFFFAOYSA-N 1 2 296.378 2.124 20 30 CEEDLO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1nccs1 ZINC000570145650 314028839 /nfs/dbraw/zinc/02/88/39/314028839.db2.gz CLMLEMNGARKGAE-UHFFFAOYSA-N 1 2 258.350 2.435 20 30 CEEDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577496301 314383582 /nfs/dbraw/zinc/38/35/82/314383582.db2.gz IZJVGIJHRSGSEV-SNVBAGLBSA-N 1 2 277.349 2.404 20 30 CEEDLO C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577496301 314383583 /nfs/dbraw/zinc/38/35/83/314383583.db2.gz IZJVGIJHRSGSEV-SNVBAGLBSA-N 1 2 277.349 2.404 20 30 CEEDLO C#CCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891598 649864972 /nfs/dbraw/zinc/86/49/72/649864972.db2.gz PEKZORLXOCQIEE-HNNXBMFYSA-N 1 2 274.339 2.102 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000372169905 327888949 /nfs/dbraw/zinc/88/89/49/327888949.db2.gz QEAMLWOVHLBGLB-SNVBAGLBSA-N 1 2 287.285 2.022 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000339760743 328055577 /nfs/dbraw/zinc/05/55/77/328055577.db2.gz MBDRKOILNMXXJQ-INIZCTEOSA-N 1 2 270.376 2.135 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000339760743 328055579 /nfs/dbraw/zinc/05/55/79/328055579.db2.gz MBDRKOILNMXXJQ-INIZCTEOSA-N 1 2 270.376 2.135 20 30 CEEDLO N#CCC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000571314380 328104319 /nfs/dbraw/zinc/10/43/19/328104319.db2.gz IPEFNIGABJHCPN-UHFFFAOYSA-N 1 2 288.273 2.300 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000366571198 328110132 /nfs/dbraw/zinc/11/01/32/328110132.db2.gz HZMAINMOFFEEFS-KBPBESRZSA-N 1 2 286.375 2.184 20 30 CEEDLO CC(C)[N@H+](CCC#N)Cc1cn(C)nc1C(F)F ZINC000571373306 328117563 /nfs/dbraw/zinc/11/75/63/328117563.db2.gz WLMLDIGCDXGQIE-UHFFFAOYSA-N 1 2 256.300 2.482 20 30 CEEDLO CC(C)[N@@H+](CCC#N)Cc1cn(C)nc1C(F)F ZINC000571373306 328117564 /nfs/dbraw/zinc/11/75/64/328117564.db2.gz WLMLDIGCDXGQIE-UHFFFAOYSA-N 1 2 256.300 2.482 20 30 CEEDLO CC(C)(C#N)CCO[NH+]=C(N)COc1ccccc1 ZINC000272179025 328198925 /nfs/dbraw/zinc/19/89/25/328198925.db2.gz ZVPNQKWRVWXJOY-UHFFFAOYSA-N 1 2 261.325 2.294 20 30 CEEDLO N#CCCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340226117 328249458 /nfs/dbraw/zinc/24/94/58/328249458.db2.gz BQZBVNSHICZWDU-NSHDSACASA-N 1 2 261.354 2.239 20 30 CEEDLO C[C@@H](O)c1ncc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000289255988 328254152 /nfs/dbraw/zinc/25/41/52/328254152.db2.gz CTDIBMOCVNLXGF-SNVBAGLBSA-N 1 2 265.382 2.322 20 30 CEEDLO C[C@@H](O)c1ncc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000289255988 328254154 /nfs/dbraw/zinc/25/41/54/328254154.db2.gz CTDIBMOCVNLXGF-SNVBAGLBSA-N 1 2 265.382 2.322 20 30 CEEDLO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1COC1 ZINC000581291826 322383586 /nfs/dbraw/zinc/38/35/86/322383586.db2.gz CQOFUDXBQCNZSW-UHFFFAOYSA-N 1 2 298.346 2.217 20 30 CEEDLO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1COC1 ZINC000581291826 322383589 /nfs/dbraw/zinc/38/35/89/322383589.db2.gz CQOFUDXBQCNZSW-UHFFFAOYSA-N 1 2 298.346 2.217 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000584116115 327041884 /nfs/dbraw/zinc/04/18/84/327041884.db2.gz JWLGMQHXVDUXNH-RISCZKNCSA-N 1 2 289.335 2.466 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000584116115 327041886 /nfs/dbraw/zinc/04/18/86/327041886.db2.gz JWLGMQHXVDUXNH-RISCZKNCSA-N 1 2 289.335 2.466 20 30 CEEDLO C=CCN(Cc1cccs1)C(=O)Cc1c[nH+]cn1C ZINC000558348239 327088253 /nfs/dbraw/zinc/08/82/53/327088253.db2.gz GNIIHAOITFBWSP-UHFFFAOYSA-N 1 2 275.377 2.239 20 30 CEEDLO N#CC1(C(=O)NCC2CC[NH+](CC(F)F)CC2)CCCC1 ZINC000558415545 327092498 /nfs/dbraw/zinc/09/24/98/327092498.db2.gz BLZIUUSRJCFOGF-UHFFFAOYSA-N 1 2 299.365 2.164 20 30 CEEDLO C=C[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000155670997 327396419 /nfs/dbraw/zinc/39/64/19/327396419.db2.gz COJWRMSFQZMLFZ-GFCCVEGCSA-N 1 2 255.321 2.485 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000116939850 328939594 /nfs/dbraw/zinc/93/95/94/328939594.db2.gz BAWVYJICXHBZJF-LBPRGKRZSA-N 1 2 276.384 2.026 20 30 CEEDLO N#CCCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377631410 329022242 /nfs/dbraw/zinc/02/22/42/329022242.db2.gz YXGWJRWAENLHFE-GFCCVEGCSA-N 1 2 298.350 2.357 20 30 CEEDLO N#CCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377631410 329022243 /nfs/dbraw/zinc/02/22/43/329022243.db2.gz YXGWJRWAENLHFE-GFCCVEGCSA-N 1 2 298.350 2.357 20 30 CEEDLO O=C(C#Cc1ccccc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378524620 329054074 /nfs/dbraw/zinc/05/40/74/329054074.db2.gz VGTTUJSGXOPQMF-CQSZACIVSA-N 1 2 265.316 2.125 20 30 CEEDLO C#CCCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000174307361 329159763 /nfs/dbraw/zinc/15/97/63/329159763.db2.gz FVBUPXRCPJHTCD-UHFFFAOYSA-N 1 2 282.347 2.085 20 30 CEEDLO C[C@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176130915 329174146 /nfs/dbraw/zinc/17/41/46/329174146.db2.gz HIDVJBYFVDGELY-IUODEOHRSA-N 1 2 289.354 2.208 20 30 CEEDLO C[C@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176130915 329174147 /nfs/dbraw/zinc/17/41/47/329174147.db2.gz HIDVJBYFVDGELY-IUODEOHRSA-N 1 2 289.354 2.208 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000180402208 329215780 /nfs/dbraw/zinc/21/57/80/329215780.db2.gz LFHXATFPRCVWIV-HNNXBMFYSA-N 1 2 287.407 2.395 20 30 CEEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000181300289 329230350 /nfs/dbraw/zinc/23/03/50/329230350.db2.gz VUMDFUNDHABQAN-UHFFFAOYSA-N 1 2 282.413 2.183 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000181300289 329230351 /nfs/dbraw/zinc/23/03/51/329230351.db2.gz VUMDFUNDHABQAN-UHFFFAOYSA-N 1 2 282.413 2.183 20 30 CEEDLO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(F)c1 ZINC000459461203 329256029 /nfs/dbraw/zinc/25/60/29/329256029.db2.gz JAPGPQCMXHKVCJ-SMDDNHRTSA-N 1 2 276.311 2.394 20 30 CEEDLO N#CCCn1cc(CNc2c[nH]c[nH+]2)c(-c2ccncc2)n1 ZINC000584382771 329307704 /nfs/dbraw/zinc/30/77/04/329307704.db2.gz LRIASYFXGDWAOX-UHFFFAOYSA-N 1 2 293.334 2.194 20 30 CEEDLO N#CCCCOc1cccc(C[NH+]2CC(n3ccnn3)C2)c1 ZINC000359999539 329644959 /nfs/dbraw/zinc/64/49/59/329644959.db2.gz ZPAVQABVPAXFSP-UHFFFAOYSA-N 1 2 297.362 2.018 20 30 CEEDLO C=C(C)CC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000419228756 329712698 /nfs/dbraw/zinc/71/26/98/329712698.db2.gz VOVRQNUTOJBENA-CQSZACIVSA-N 1 2 265.328 2.466 20 30 CEEDLO C=CCSCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420784407 329783433 /nfs/dbraw/zinc/78/34/33/329783433.db2.gz BUMIVKNRRMNZLQ-UHFFFAOYSA-N 1 2 279.409 2.417 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccccn2)n1 ZINC000279694564 330123778 /nfs/dbraw/zinc/12/37/78/330123778.db2.gz IBOVXEUBVDCAJI-AWEZNQCLSA-N 1 2 268.364 2.494 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccccn2)n1 ZINC000279694564 330123780 /nfs/dbraw/zinc/12/37/80/330123780.db2.gz IBOVXEUBVDCAJI-AWEZNQCLSA-N 1 2 268.364 2.494 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191142191 330128287 /nfs/dbraw/zinc/12/82/87/330128287.db2.gz MRPZJRGWMXMFPO-ZDUSSCGKSA-N 1 2 297.420 2.286 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191142191 330128289 /nfs/dbraw/zinc/12/82/89/330128289.db2.gz MRPZJRGWMXMFPO-ZDUSSCGKSA-N 1 2 297.420 2.286 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2OC)nn1 ZINC000424293600 330335424 /nfs/dbraw/zinc/33/54/24/330335424.db2.gz ITILYWPLSCUHAO-GFCCVEGCSA-N 1 2 272.352 2.324 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000121282070 330399180 /nfs/dbraw/zinc/39/91/80/330399180.db2.gz JFLCLFQALRWUNJ-UHFFFAOYSA-N 1 2 278.352 2.109 20 30 CEEDLO C=CC[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000121282070 330399181 /nfs/dbraw/zinc/39/91/81/330399181.db2.gz JFLCLFQALRWUNJ-UHFFFAOYSA-N 1 2 278.352 2.109 20 30 CEEDLO CC(C)CCn1cccc1C[NH+]1CCN(CC#N)CC1 ZINC000092936570 330415079 /nfs/dbraw/zinc/41/50/79/330415079.db2.gz MQUDREASCBFYSU-UHFFFAOYSA-N 1 2 274.412 2.175 20 30 CEEDLO C=C(C)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000154384779 330657316 /nfs/dbraw/zinc/65/73/16/330657316.db2.gz UEWYVAIXCSJCOJ-UHFFFAOYSA-N 1 2 255.321 2.487 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000448714071 330823328 /nfs/dbraw/zinc/82/33/28/330823328.db2.gz NKLDWZWPLGUWMH-GUYCJALGSA-N 1 2 298.390 2.238 20 30 CEEDLO C=CCC[C@@H]([NH2+][C@H]1CCCSC1)C(=O)OCC ZINC000449659968 330942673 /nfs/dbraw/zinc/94/26/73/330942673.db2.gz WTIQZVBMCIYIKF-NWDGAFQWSA-N 1 2 257.399 2.370 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000450892486 331005251 /nfs/dbraw/zinc/00/52/51/331005251.db2.gz DRSALMPDDMYMNS-LBPRGKRZSA-N 1 2 262.357 2.038 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000450892486 331005252 /nfs/dbraw/zinc/00/52/52/331005252.db2.gz DRSALMPDDMYMNS-LBPRGKRZSA-N 1 2 262.357 2.038 20 30 CEEDLO CN(C(=O)C[N@@H+]1CCC[C@](C)(F)C1)C1(C#N)CCCCC1 ZINC000451122274 331016544 /nfs/dbraw/zinc/01/65/44/331016544.db2.gz QVKNTTQJWFCHTI-HNNXBMFYSA-N 1 2 295.402 2.495 20 30 CEEDLO CN(C(=O)C[N@H+]1CCC[C@](C)(F)C1)C1(C#N)CCCCC1 ZINC000451122274 331016545 /nfs/dbraw/zinc/01/65/45/331016545.db2.gz QVKNTTQJWFCHTI-HNNXBMFYSA-N 1 2 295.402 2.495 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000452779132 331077281 /nfs/dbraw/zinc/07/72/81/331077281.db2.gz AQJUQEMSRLTFJI-ZIAGYGMSSA-N 1 2 287.407 2.482 20 30 CEEDLO N#CCc1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000455942786 331181398 /nfs/dbraw/zinc/18/13/98/331181398.db2.gz IOBQRKYROAUZQR-UHFFFAOYSA-N 1 2 283.335 2.161 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C#N)CCCC1 ZINC000456350956 331190536 /nfs/dbraw/zinc/19/05/36/331190536.db2.gz AVAVRPQLTIFUSU-NSHDSACASA-N 1 2 260.341 2.164 20 30 CEEDLO Cn1c[nH+]c(CCNC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000457862382 331236710 /nfs/dbraw/zinc/23/67/10/331236710.db2.gz QSOIZMWDPKWTJN-UHFFFAOYSA-N 1 2 296.374 2.194 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CC(C)(C)C#N ZINC000458430289 331251150 /nfs/dbraw/zinc/25/11/50/331251150.db2.gz NRFBBJLYAWPWFK-UHFFFAOYSA-N 1 2 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/nfs/dbraw/zinc/40/08/08/624400808.db2.gz BEWNKISSMZFEDB-XBFCOCLRSA-N 1 2 282.359 2.244 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C1CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892192939 624400817 /nfs/dbraw/zinc/40/08/17/624400817.db2.gz BEWNKISSMZFEDB-XBFCOCLRSA-N 1 2 282.359 2.244 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC000949864185 625839204 /nfs/dbraw/zinc/83/92/04/625839204.db2.gz HQBGDXDHLVIYDK-UHFFFAOYSA-N 1 2 272.339 2.141 20 30 CEEDLO C=CCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000165332299 627395274 /nfs/dbraw/zinc/39/52/74/627395274.db2.gz LZOAHTPMTYRRAY-UHFFFAOYSA-N 1 2 283.331 2.484 20 30 CEEDLO CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(C#N)c1O ZINC000926832162 627716376 /nfs/dbraw/zinc/71/63/76/627716376.db2.gz HBZWZDBKXFQHEK-MPKXVKKWSA-N 1 2 260.337 2.075 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001009924056 628724557 /nfs/dbraw/zinc/72/45/57/628724557.db2.gz CYZHWJIYQFSQAN-HNNXBMFYSA-N 1 2 295.342 2.156 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001009924056 628724560 /nfs/dbraw/zinc/72/45/60/628724560.db2.gz CYZHWJIYQFSQAN-HNNXBMFYSA-N 1 2 295.342 2.156 20 30 CEEDLO C[C@@H]1C[C@H]1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000950034526 628786112 /nfs/dbraw/zinc/78/61/12/628786112.db2.gz NSMZVSGRWWNUJZ-PBHICJAKSA-N 1 2 297.402 2.249 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC000821340473 634688948 /nfs/dbraw/zinc/68/89/48/634688948.db2.gz ZATZLAXJISCJFW-RBSFLKMASA-N 1 2 279.343 2.394 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC000821340473 634688954 /nfs/dbraw/zinc/68/89/54/634688954.db2.gz ZATZLAXJISCJFW-RBSFLKMASA-N 1 2 279.343 2.394 20 30 CEEDLO N#CCC1(C[NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000894197035 629201911 /nfs/dbraw/zinc/20/19/11/629201911.db2.gz AHDVEEAQDFHZNQ-UHFFFAOYSA-N 1 2 296.168 2.333 20 30 CEEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000178869999 629227289 /nfs/dbraw/zinc/22/72/89/629227289.db2.gz WZDXNMYJALYSTL-ZDUSSCGKSA-N 1 2 290.363 2.362 20 30 CEEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000178869999 629227290 /nfs/dbraw/zinc/22/72/90/629227290.db2.gz WZDXNMYJALYSTL-ZDUSSCGKSA-N 1 2 290.363 2.362 20 30 CEEDLO C(=NNc1cncnc1)c1cc(-n2cc[nH+]c2)cs1 ZINC000794976546 629386395 /nfs/dbraw/zinc/38/63/95/629386395.db2.gz MJCMVNXXGPMDQB-UHFFFAOYSA-N 1 2 270.321 2.170 20 30 CEEDLO CC#CC[C@@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000894365414 629395752 /nfs/dbraw/zinc/39/57/52/629395752.db2.gz BGCJDUIXKPVTLF-ZDUSSCGKSA-N 1 2 259.353 2.239 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894611338 629558015 /nfs/dbraw/zinc/55/80/15/629558015.db2.gz XIRUHCAIIPNTKN-MCIONIFRSA-N 1 2 288.395 2.347 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894611338 629558018 /nfs/dbraw/zinc/55/80/18/629558018.db2.gz XIRUHCAIIPNTKN-MCIONIFRSA-N 1 2 288.395 2.347 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ncc(C(=O)OC)s1)C(C)(C)C ZINC000894784468 629640933 /nfs/dbraw/zinc/64/09/33/629640933.db2.gz LJUVYGOJMJLNTR-SNVBAGLBSA-N 1 2 266.366 2.067 20 30 CEEDLO Cc1cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1C#N ZINC000795651259 629643831 /nfs/dbraw/zinc/64/38/31/629643831.db2.gz JGHXSPSKPKKUHB-AWEZNQCLSA-N 1 2 272.348 2.393 20 30 CEEDLO Cc1cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1C#N ZINC000795651259 629643833 /nfs/dbraw/zinc/64/38/33/629643833.db2.gz JGHXSPSKPKKUHB-AWEZNQCLSA-N 1 2 272.348 2.393 20 30 CEEDLO CC[C@H](C#N)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796009984 629740831 /nfs/dbraw/zinc/74/08/31/629740831.db2.gz SSBRXPCYKUWSED-SECBINFHSA-N 1 2 293.273 2.468 20 30 CEEDLO CNc1cc(N(C)CCc2cccc(C#N)c2)nc[nH+]1 ZINC000894995377 629789897 /nfs/dbraw/zinc/78/98/97/629789897.db2.gz LIIYQIHMQPXHBV-UHFFFAOYSA-N 1 2 267.336 2.069 20 30 CEEDLO CNc1cc(N(C)CCc2cccc(C#N)c2)[nH+]cn1 ZINC000894995377 629789901 /nfs/dbraw/zinc/78/99/01/629789901.db2.gz LIIYQIHMQPXHBV-UHFFFAOYSA-N 1 2 267.336 2.069 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(Br)c1O ZINC000054181925 629876822 /nfs/dbraw/zinc/87/68/22/629876822.db2.gz TXZMMLAKAQTBEM-QMMMGPOBSA-N 1 2 269.142 2.404 20 30 CEEDLO Cc1[nH]c([C@@H]2CCCN2c2cc(C#N)ncn2)[nH+]c1C ZINC000895194590 630023837 /nfs/dbraw/zinc/02/38/37/630023837.db2.gz ZSQVUTPVHZPLPA-LBPRGKRZSA-N 1 2 268.324 2.030 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000895385972 630158054 /nfs/dbraw/zinc/15/80/54/630158054.db2.gz RERNCTSFUHGKTN-UHFFFAOYSA-N 1 2 299.292 2.387 20 30 CEEDLO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896504235 630584378 /nfs/dbraw/zinc/58/43/78/630584378.db2.gz DAMVEVMSNAIZSC-CQSZACIVSA-N 1 2 257.337 2.381 20 30 CEEDLO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896504235 630584382 /nfs/dbraw/zinc/58/43/82/630584382.db2.gz DAMVEVMSNAIZSC-CQSZACIVSA-N 1 2 257.337 2.381 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(C)(C)OC1=O ZINC000795685196 630665063 /nfs/dbraw/zinc/66/50/63/630665063.db2.gz XBHQBQMYIBCZSQ-ZDUSSCGKSA-N 1 2 258.321 2.084 20 30 CEEDLO 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C=CC[N@H+](Cn1ccc(C(F)(F)F)n1)[C@H](C)COC ZINC000853532586 643803102 /nfs/dbraw/zinc/80/31/02/643803102.db2.gz HPYLNWLNTSFASJ-SNVBAGLBSA-N 1 2 277.290 2.382 20 30 CEEDLO C=CC[N@@H+](Cn1ccc(C(F)(F)F)n1)[C@H](C)COC ZINC000853532586 643803118 /nfs/dbraw/zinc/80/31/18/643803118.db2.gz HPYLNWLNTSFASJ-SNVBAGLBSA-N 1 2 277.290 2.382 20 30 CEEDLO CCn1ncc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000838967324 644099935 /nfs/dbraw/zinc/09/99/35/644099935.db2.gz RRKNMYCDNGLHJE-LLVKDONJSA-N 1 2 255.325 2.020 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1)C(=O)OC ZINC000839167509 644176624 /nfs/dbraw/zinc/17/66/24/644176624.db2.gz FRUGJLGWUNLCHE-XEZPLFJOSA-N 1 2 289.375 2.342 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000854988709 644224536 /nfs/dbraw/zinc/22/45/36/644224536.db2.gz GRQMVMHZVAEFQQ-NSHDSACASA-N 1 2 268.320 2.043 20 30 CEEDLO C=C[C@H](C)ONC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855026679 644234341 /nfs/dbraw/zinc/23/43/41/644234341.db2.gz 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COCC#CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000757658480 644832318 /nfs/dbraw/zinc/83/23/18/644832318.db2.gz XTWVMAPGIYGSRF-HLLBOEOZSA-N 1 2 273.376 2.487 20 30 CEEDLO COCC#CC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000757658478 644833038 /nfs/dbraw/zinc/83/30/38/644833038.db2.gz XTWVMAPGIYGSRF-BFYDXBDKSA-N 1 2 273.376 2.487 20 30 CEEDLO COCC#CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000757658478 644833042 /nfs/dbraw/zinc/83/30/42/644833042.db2.gz XTWVMAPGIYGSRF-BFYDXBDKSA-N 1 2 273.376 2.487 20 30 CEEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2cccc(C#N)c2=O)n1 ZINC000758235974 644904944 /nfs/dbraw/zinc/90/49/44/644904944.db2.gz BJBOTTXGNJMNLQ-INIZCTEOSA-N 1 2 294.358 2.218 20 30 CEEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2cccc(C#N)c2=O)n1 ZINC000758235974 644904947 /nfs/dbraw/zinc/90/49/47/644904947.db2.gz BJBOTTXGNJMNLQ-INIZCTEOSA-N 1 2 294.358 2.218 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CC[C@@](C)(CC)C2)c1=S ZINC000758396885 644925756 /nfs/dbraw/zinc/92/57/56/644925756.db2.gz 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/nfs/dbraw/zinc/16/87/83/645168783.db2.gz NPNAVZDVWXRLPI-UHFFFAOYSA-N 1 2 267.402 2.075 20 30 CEEDLO C=CCn1nnn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760538700 645168790 /nfs/dbraw/zinc/16/87/90/645168790.db2.gz NPNAVZDVWXRLPI-UHFFFAOYSA-N 1 2 267.402 2.075 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2oc(C(F)F)cc2C)CC1 ZINC000859003980 645317606 /nfs/dbraw/zinc/31/76/06/645317606.db2.gz ZEFXRWDKEJULOO-UHFFFAOYSA-N 1 2 296.317 2.307 20 30 CEEDLO CC(C)(C)CCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762665762 645435607 /nfs/dbraw/zinc/43/56/07/645435607.db2.gz SLKYIDAZFXCVCN-UHFFFAOYSA-N 1 2 295.358 2.015 20 30 CEEDLO CO[C@H]1C[C@@H](C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000878167745 651022865 /nfs/dbraw/zinc/02/28/65/651022865.db2.gz ICXFVQYQOIGUQH-OTVXOJSOSA-N 1 2 259.353 2.222 20 30 CEEDLO CO[C@H]1C[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000878167745 651022868 /nfs/dbraw/zinc/02/28/68/651022868.db2.gz ICXFVQYQOIGUQH-OTVXOJSOSA-N 1 2 259.353 2.222 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC1CCCCCCC1)C1CC1 ZINC000763949595 645593442 /nfs/dbraw/zinc/59/34/42/645593442.db2.gz FLUPMVGHWMHELY-UHFFFAOYSA-N 1 2 262.397 2.313 20 30 CEEDLO C#CC[N@H+](CC(=O)NC1CCCCCCC1)C1CC1 ZINC000763949595 645593444 /nfs/dbraw/zinc/59/34/44/645593444.db2.gz FLUPMVGHWMHELY-UHFFFAOYSA-N 1 2 262.397 2.313 20 30 CEEDLO C#CCC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000764229436 645622897 /nfs/dbraw/zinc/62/28/97/645622897.db2.gz BJBAZYZUWRUCOS-UHFFFAOYSA-N 1 2 274.339 2.174 20 30 CEEDLO CCC1(CC)C[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000767480666 645996903 /nfs/dbraw/zinc/99/69/03/645996903.db2.gz VKXAUECSLBDQHF-UHFFFAOYSA-N 1 2 291.420 2.285 20 30 CEEDLO CCC1(CC)C[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000767480666 645996908 /nfs/dbraw/zinc/99/69/08/645996908.db2.gz VKXAUECSLBDQHF-UHFFFAOYSA-N 1 2 291.420 2.285 20 30 CEEDLO C#CC[C@@H](COC)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000861277649 646098445 /nfs/dbraw/zinc/09/84/45/646098445.db2.gz RDUZRPCOBMZGSV-INIZCTEOSA-N 1 2 298.342 2.127 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000861349035 646139240 /nfs/dbraw/zinc/13/92/40/646139240.db2.gz QQTNDDRNSVVFHR-CYBMUJFWSA-N 1 2 288.395 2.456 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000862530696 646486182 /nfs/dbraw/zinc/48/61/82/646486182.db2.gz QQBSMVKGELRRMV-MRXNPFEDSA-N 1 2 277.339 2.259 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000862530696 646486186 /nfs/dbraw/zinc/48/61/86/646486186.db2.gz QQBSMVKGELRRMV-MRXNPFEDSA-N 1 2 277.339 2.259 20 30 CEEDLO CC(C)C1N=NC(=S)N1N=Cc1cccc2[nH+]ccn21 ZINC000771090385 646489367 /nfs/dbraw/zinc/48/93/67/646489367.db2.gz WESRTLSLJRYZKX-UHFFFAOYSA-N 1 2 286.364 2.220 20 30 CEEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)nc2)CC1 ZINC000771151232 646496131 /nfs/dbraw/zinc/49/61/31/646496131.db2.gz BMHABUPNNXCUHG-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)nc2)CC1 ZINC000771151232 646496134 /nfs/dbraw/zinc/49/61/34/646496134.db2.gz BMHABUPNNXCUHG-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)[C@@H]1CCCO1 ZINC000775571620 646967252 /nfs/dbraw/zinc/96/72/52/646967252.db2.gz IRCRYTOIDWCQGH-KMFMINBZSA-N 1 2 296.374 2.099 20 30 CEEDLO N#CC1(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC000778182442 647206532 /nfs/dbraw/zinc/20/65/32/647206532.db2.gz ZXHYHFKTVPPLTN-UHFFFAOYSA-N 1 2 292.770 2.277 20 30 CEEDLO COc1ccc(N=NC2C[N@@H+](C(C)C)C[C@H]2C)nc1 ZINC000780277431 647410590 /nfs/dbraw/zinc/41/05/90/647410590.db2.gz WRLLWMVRUJDNHU-LLVKDONJSA-N 1 2 262.357 2.218 20 30 CEEDLO COc1ccc(N=NC2C[N@H+](C(C)C)C[C@H]2C)nc1 ZINC000780277431 647410591 /nfs/dbraw/zinc/41/05/91/647410591.db2.gz WRLLWMVRUJDNHU-LLVKDONJSA-N 1 2 262.357 2.218 20 30 CEEDLO N#Cc1ccccc1OCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000782315607 647612612 /nfs/dbraw/zinc/61/26/12/647612612.db2.gz ZCCLKBIQHICURX-UHFFFAOYSA-N 1 2 299.305 2.413 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000782543532 647636206 /nfs/dbraw/zinc/63/62/06/647636206.db2.gz LTUJOBDGOXHTKA-RDJZCZTQSA-N 1 2 299.349 2.282 20 30 CEEDLO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc(C#N)c1O ZINC000866259876 647700353 /nfs/dbraw/zinc/70/03/53/647700353.db2.gz HIWSDZRIGHSZPZ-NWDGAFQWSA-N 1 2 273.380 2.397 20 30 CEEDLO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cccc(C#N)c1O ZINC000866268385 647706983 /nfs/dbraw/zinc/70/69/83/647706983.db2.gz UPMGUISKPVYSFL-YBTHPKLGSA-N 1 2 294.420 2.462 20 30 CEEDLO N#Cc1ccsc1C(=O)OCCCn1cc[nH+]c1 ZINC000783318426 647708216 /nfs/dbraw/zinc/70/82/16/647708216.db2.gz ZUKTVOLDHFXKIE-UHFFFAOYSA-N 1 2 261.306 2.063 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(C#N)c1O ZINC000866285268 647717406 /nfs/dbraw/zinc/71/74/06/647717406.db2.gz LPQHTYDGDYQINX-MFKMUULPSA-N 1 2 282.347 2.195 20 30 CEEDLO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866310798 647730927 /nfs/dbraw/zinc/73/09/27/647730927.db2.gz WBQOFGREJJIWMI-IINYFYTJSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(C#N)c1O ZINC000866356920 647753874 /nfs/dbraw/zinc/75/38/74/647753874.db2.gz PGGZKLDBXJHGNM-DOMZBBRYSA-N 1 2 297.358 2.086 20 30 CEEDLO CCn1ccnc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866365030 647757388 /nfs/dbraw/zinc/75/73/88/647757388.db2.gz UIZMJVKHNHBVQF-NSHDSACASA-N 1 2 270.336 2.331 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc(C#N)c1O ZINC000866375794 647762917 /nfs/dbraw/zinc/76/29/17/647762917.db2.gz FNVDROFWYSOAHC-SCRDCRAPSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1O ZINC000866377771 647764380 /nfs/dbraw/zinc/76/43/80/647764380.db2.gz XSYOOQNOOYGVPQ-JQWIXIFHSA-N 1 2 295.333 2.254 20 30 CEEDLO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C#N)c1O ZINC000866386045 647767528 /nfs/dbraw/zinc/76/75/28/647767528.db2.gz WJSJNLRTDBWOMP-YGRLFVJLSA-N 1 2 260.337 2.075 20 30 CEEDLO N#Cc1csc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000784063230 647795639 /nfs/dbraw/zinc/79/56/39/647795639.db2.gz BHZWBVRJLBARBM-UHFFFAOYSA-N 1 2 261.306 2.063 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000784449656 647851192 /nfs/dbraw/zinc/85/11/92/647851192.db2.gz GQRYQNWUYLMDGY-LSDHHAIUSA-N 1 2 262.328 2.485 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000784449656 647851194 /nfs/dbraw/zinc/85/11/94/647851194.db2.gz GQRYQNWUYLMDGY-LSDHHAIUSA-N 1 2 262.328 2.485 20 30 CEEDLO Oc1ccc(/C=[NH+]/CCc2nc3ccccc3[nH]2)c(O)c1O ZINC000017309343 648331838 /nfs/dbraw/zinc/33/18/38/648331838.db2.gz AHIYHBALCHEMJN-RQZCQDPDSA-N 1 2 297.314 2.341 20 30 CEEDLO C=CC[N@@H+](CN1Cc2ccc(OC)cc2C1=O)C1CC1 ZINC000790442521 648416705 /nfs/dbraw/zinc/41/67/05/648416705.db2.gz MWVRYMPLVBJPTJ-UHFFFAOYSA-N 1 2 272.348 2.259 20 30 CEEDLO C=CC[N@H+](CN1Cc2ccc(OC)cc2C1=O)C1CC1 ZINC000790442521 648416710 /nfs/dbraw/zinc/41/67/10/648416710.db2.gz MWVRYMPLVBJPTJ-UHFFFAOYSA-N 1 2 272.348 2.259 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(CCC(C)C)CCC(C)C ZINC000792304959 648637462 /nfs/dbraw/zinc/63/74/62/648637462.db2.gz ADJNHIVQWOUOTK-UHFFFAOYSA-N 1 2 266.429 2.472 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(CCC(C)C)CCC(C)C ZINC000792304959 648637463 /nfs/dbraw/zinc/63/74/63/648637463.db2.gz ADJNHIVQWOUOTK-UHFFFAOYSA-N 1 2 266.429 2.472 20 30 CEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ncc(F)cn1 ZINC000792634669 648661362 /nfs/dbraw/zinc/66/13/62/648661362.db2.gz GCENTNXWLNRCFP-UHFFFAOYSA-N 1 2 285.326 2.419 20 30 CEEDLO C[C@@H]([N@H+](C)Cn1nc(CC#N)n(C)c1=S)C1(C)CC1 ZINC000794634227 648896368 /nfs/dbraw/zinc/89/63/68/648896368.db2.gz ZXUUSFMSXQEQSG-SNVBAGLBSA-N 1 2 279.413 2.095 20 30 CEEDLO C[C@@H]([N@@H+](C)Cn1nc(CC#N)n(C)c1=S)C1(C)CC1 ZINC000794634227 648896369 /nfs/dbraw/zinc/89/63/69/648896369.db2.gz ZXUUSFMSXQEQSG-SNVBAGLBSA-N 1 2 279.413 2.095 20 30 CEEDLO CC(C)C[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794637138 648896475 /nfs/dbraw/zinc/89/64/75/648896475.db2.gz PGAICTYEJAJAPT-GFCCVEGCSA-N 1 2 293.440 2.343 20 30 CEEDLO CC(C)C[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794637138 648896478 /nfs/dbraw/zinc/89/64/78/648896478.db2.gz PGAICTYEJAJAPT-GFCCVEGCSA-N 1 2 293.440 2.343 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000794637819 648896655 /nfs/dbraw/zinc/89/66/55/648896655.db2.gz YODIZPMFCJNIMM-UHFFFAOYSA-N 1 2 291.424 2.241 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000794637819 648896660 /nfs/dbraw/zinc/89/66/60/648896660.db2.gz YODIZPMFCJNIMM-UHFFFAOYSA-N 1 2 291.424 2.241 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794682545 648903041 /nfs/dbraw/zinc/90/30/41/648903041.db2.gz HVNGLWFEKWFVAL-LLVKDONJSA-N 1 2 281.429 2.463 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794682545 648903042 /nfs/dbraw/zinc/90/30/42/648903042.db2.gz HVNGLWFEKWFVAL-LLVKDONJSA-N 1 2 281.429 2.463 20 30 CEEDLO Cc1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)n(C)n1 ZINC000794714404 648906381 /nfs/dbraw/zinc/90/63/81/648906381.db2.gz QRSBAOZZXQTVNN-AATRIKPKSA-N 1 2 290.392 2.143 20 30 CEEDLO Cc1cc([N-][NH+]=Cc2ccc(N(C)C(C)C)nc2)nc(N)[nH+]1 ZINC000872420858 649386788 /nfs/dbraw/zinc/38/67/88/649386788.db2.gz PJQHHJAUIWJXJI-UHFFFAOYSA-N 1 2 299.382 2.053 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@@H](C2CCCCC2)CC1=O ZINC000872600554 649436248 /nfs/dbraw/zinc/43/62/48/649436248.db2.gz LECXWJMYJFQFDL-AWEZNQCLSA-N 1 2 250.386 2.491 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@@H](C2CCCCC2)CC1=O ZINC000872600554 649436251 /nfs/dbraw/zinc/43/62/51/649436251.db2.gz LECXWJMYJFQFDL-AWEZNQCLSA-N 1 2 250.386 2.491 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000878574470 651133512 /nfs/dbraw/zinc/13/35/12/651133512.db2.gz SYJBQMCVGDWXSB-ZDUSSCGKSA-N 1 2 292.354 2.460 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1C[C@H](OCC)C12CCCC2)C(=O)OC ZINC000878597744 651137573 /nfs/dbraw/zinc/13/75/73/651137573.db2.gz WHLXEBHEAYWGCM-IHRRRGAJSA-N 1 2 281.396 2.432 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000878649198 651151351 /nfs/dbraw/zinc/15/13/51/651151351.db2.gz XHZUYTHUKVQTCH-HNNXBMFYSA-N 1 2 272.348 2.288 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000878649198 651151353 /nfs/dbraw/zinc/15/13/53/651151353.db2.gz XHZUYTHUKVQTCH-HNNXBMFYSA-N 1 2 272.348 2.288 20 30 CEEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CSC1 ZINC000878910235 651208223 /nfs/dbraw/zinc/20/82/23/651208223.db2.gz QFCIAGGHMDIQLD-UHFFFAOYSA-N 1 2 280.324 2.285 20 30 CEEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CSC1 ZINC000878910235 651208226 /nfs/dbraw/zinc/20/82/26/651208226.db2.gz QFCIAGGHMDIQLD-UHFFFAOYSA-N 1 2 280.324 2.285 20 30 CEEDLO C#CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C1CSC1 ZINC000878914245 651209271 /nfs/dbraw/zinc/20/92/71/651209271.db2.gz QYAFMXAUFFNFAC-CQSZACIVSA-N 1 2 283.343 2.049 20 30 CEEDLO C#CC[N@H+](C[C@@H](O)c1ccc(F)cc1F)C1CSC1 ZINC000878914245 651209272 /nfs/dbraw/zinc/20/92/72/651209272.db2.gz QYAFMXAUFFNFAC-CQSZACIVSA-N 1 2 283.343 2.049 20 30 CEEDLO Cc1nonc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000879023948 651229950 /nfs/dbraw/zinc/22/99/50/651229950.db2.gz RAAASIWCOSVTOQ-UHFFFAOYSA-N 1 2 283.335 2.024 20 30 CEEDLO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322264 651285793 /nfs/dbraw/zinc/28/57/93/651285793.db2.gz IYGNXLOAIIBHNK-CMPLNLGQSA-N 1 2 293.392 2.058 20 30 CEEDLO CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322264 651285795 /nfs/dbraw/zinc/28/57/95/651285795.db2.gz IYGNXLOAIIBHNK-CMPLNLGQSA-N 1 2 293.392 2.058 20 30 CEEDLO C#CC1(F)CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000881939467 651919045 /nfs/dbraw/zinc/91/90/45/651919045.db2.gz KIOXUJUNRBIAFB-AWEZNQCLSA-N 1 2 297.333 2.115 20 30 CEEDLO CCCCCCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882014483 651937910 /nfs/dbraw/zinc/93/79/10/651937910.db2.gz GALAERHWDMXSGG-UHFFFAOYSA-N 1 2 287.429 2.163 20 30 CEEDLO C[C@H](C#N)Oc1ccc(CNc2cc(CO)cc[nH+]2)cc1 ZINC000883148014 652379136 /nfs/dbraw/zinc/37/91/36/652379136.db2.gz QTKHAHGHBRDJNY-GFCCVEGCSA-N 1 2 283.331 2.477 20 30 CEEDLO C#CC1(NC(=O)NCc2cc(C)[nH+]c(C)c2)CCCC1 ZINC000883749636 652550907 /nfs/dbraw/zinc/55/09/07/652550907.db2.gz 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288.844 2.167 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001108260984 811102641 /nfs/dbraw/zinc/10/26/41/811102641.db2.gz YZHCZXWZPFRWSD-WMLDXEAASA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001108260984 811102646 /nfs/dbraw/zinc/10/26/46/811102646.db2.gz YZHCZXWZPFRWSD-WMLDXEAASA-N 1 2 296.455 2.452 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001043223197 811358329 /nfs/dbraw/zinc/35/83/29/811358329.db2.gz LZGXAZCMTSJFQS-UHFFFAOYSA-N 1 2 285.391 2.291 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001043426020 811372872 /nfs/dbraw/zinc/37/28/72/811372872.db2.gz JIOJJBFSFBRZFV-ZSOGYDGISA-N 1 2 262.397 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001043783576 811405996 /nfs/dbraw/zinc/40/59/96/811405996.db2.gz BLUDFFWCEWPUMD-LBPRGKRZSA-N 1 2 250.386 2.141 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc(Cl)c2)C1 ZINC001044008079 811427692 /nfs/dbraw/zinc/42/76/92/811427692.db2.gz QMHZFXQCMHBQSZ-UHFFFAOYSA-N 1 2 282.796 2.181 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 ZINC001044125164 811440889 /nfs/dbraw/zinc/44/08/89/811440889.db2.gz WVUXDCPZMPFKLF-IEBWSBKVSA-N 1 2 296.414 2.219 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)c(CC)s2)C1 ZINC001044272446 811464947 /nfs/dbraw/zinc/46/49/47/811464947.db2.gz QFSOSORWIQUMHV-UHFFFAOYSA-N 1 2 290.432 2.398 20 30 CEEDLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+][C@@H](C)CCCC#N ZINC001172490707 815451839 /nfs/dbraw/zinc/45/18/39/815451839.db2.gz KGCGMQPOXBHZNW-ZFWWWQNUSA-N 1 2 289.379 2.146 20 30 CEEDLO CCOC(=O)c1nc2c(o1)CC[N@@H+]([C@@H](C)CCCC#N)C2 ZINC001172497781 815453826 /nfs/dbraw/zinc/45/38/26/815453826.db2.gz FTEJQQRXWKAOHQ-NSHDSACASA-N 1 2 291.351 2.292 20 30 CEEDLO CCOC(=O)c1nc2c(o1)CC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172497781 815453828 /nfs/dbraw/zinc/45/38/28/815453828.db2.gz FTEJQQRXWKAOHQ-NSHDSACASA-N 1 2 291.351 2.292 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1nc2ccccc2cc1CC#N ZINC001169652521 811606852 /nfs/dbraw/zinc/60/68/52/811606852.db2.gz IERVLQWLYTVONL-OAHLLOKOSA-N 1 2 296.374 2.043 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1nc2ccccc2cc1CC#N ZINC001169652521 811606859 /nfs/dbraw/zinc/60/68/59/811606859.db2.gz IERVLQWLYTVONL-OAHLLOKOSA-N 1 2 296.374 2.043 20 30 CEEDLO C#C[C@](C)(CC)Nc1[nH+]ccc(OC)c1C(=O)OC ZINC001169690800 811623031 /nfs/dbraw/zinc/62/30/31/811623031.db2.gz YWDHPVPXDRMRMT-CQSZACIVSA-N 1 2 262.309 2.091 20 30 CEEDLO C=C[C@@H](CO)Nc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001169781243 811669874 /nfs/dbraw/zinc/66/98/74/811669874.db2.gz PIJAQBCFQNRDMI-QMMMGPOBSA-N 1 2 282.141 2.284 20 30 CEEDLO C=C[C@@H](CO)Nc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001169781243 811669880 /nfs/dbraw/zinc/66/98/80/811669880.db2.gz PIJAQBCFQNRDMI-QMMMGPOBSA-N 1 2 282.141 2.284 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001046221940 811712323 /nfs/dbraw/zinc/71/23/23/811712323.db2.gz WBPMHHJZIVUUJW-UKTARXLSSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001046221940 811712327 /nfs/dbraw/zinc/71/23/27/811712327.db2.gz WBPMHHJZIVUUJW-UKTARXLSSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccncc2C)C1 ZINC001046295801 811731871 /nfs/dbraw/zinc/73/18/71/811731871.db2.gz SMQUEUMAKCTTCE-HNNXBMFYSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccncc2C)C1 ZINC001046295801 811731876 /nfs/dbraw/zinc/73/18/76/811731876.db2.gz SMQUEUMAKCTTCE-HNNXBMFYSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108675690 811748139 /nfs/dbraw/zinc/74/81/39/811748139.db2.gz IWCQXRVEIDYFPC-NHYWBVRUSA-N 1 2 276.384 2.304 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC2)C1 ZINC001046902325 811834289 /nfs/dbraw/zinc/83/42/89/811834289.db2.gz PIRMHNXKNPAEQV-LLVKDONJSA-N 1 2 292.757 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC2)C1 ZINC001046902325 811834298 /nfs/dbraw/zinc/83/42/98/811834298.db2.gz PIRMHNXKNPAEQV-LLVKDONJSA-N 1 2 292.757 2.222 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCCc2ccsc2)CC1 ZINC001112992670 812135720 /nfs/dbraw/zinc/13/57/20/812135720.db2.gz MGPDVFRGNPKDOT-UHFFFAOYSA-N 1 2 278.421 2.401 20 30 CEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113217786 812186390 /nfs/dbraw/zinc/18/63/90/812186390.db2.gz JTNOFBYDPCBJGN-CVEARBPZSA-N 1 2 296.455 2.406 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC001113283320 812205576 /nfs/dbraw/zinc/20/55/76/812205576.db2.gz GFRGQCWINZAUTO-UHFFFAOYSA-N 1 2 293.436 2.186 20 30 CEEDLO CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172758143 815508774 /nfs/dbraw/zinc/50/87/74/815508774.db2.gz DGDFHZKRGYOLEJ-CHWSQXEVSA-N 1 2 252.358 2.342 20 30 CEEDLO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC[C@H](C#N)C1 ZINC001172758143 815508777 /nfs/dbraw/zinc/50/87/77/815508777.db2.gz DGDFHZKRGYOLEJ-CHWSQXEVSA-N 1 2 252.358 2.342 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](OCC)c2ccccc2)CC1 ZINC001113720537 812306770 /nfs/dbraw/zinc/30/67/70/812306770.db2.gz SLOYBNPTASRAHZ-MRXNPFEDSA-N 1 2 288.391 2.094 20 30 CEEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097091242 812325371 /nfs/dbraw/zinc/32/53/71/812325371.db2.gz XVUNZCAWTFTCOQ-ZMJPVWNMSA-N 1 2 288.395 2.302 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097238485 812344364 /nfs/dbraw/zinc/34/43/64/812344364.db2.gz KJLYDWAJKWFAIJ-BETUJISGSA-N 1 2 288.395 2.446 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113822668 812365137 /nfs/dbraw/zinc/36/51/37/812365137.db2.gz SFYAXBPTBPJULM-OLZOCXBDSA-N 1 2 290.411 2.328 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC(C)C3)cc2C1 ZINC001054260961 812557798 /nfs/dbraw/zinc/55/77/98/812557798.db2.gz IYSKCCIFGQGOIK-UHFFFAOYSA-N 1 2 282.387 2.298 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC(C)C3)cc2C1 ZINC001054260961 812557802 /nfs/dbraw/zinc/55/78/02/812557802.db2.gz IYSKCCIFGQGOIK-UHFFFAOYSA-N 1 2 282.387 2.298 20 30 CEEDLO Cc1ccc2[nH+]cc(CN3C[C@@H](F)C[C@H]3C#N)n2c1 ZINC001137312512 812628197 /nfs/dbraw/zinc/62/81/97/812628197.db2.gz ZYHCFZRDTCBSPQ-RYUDHWBXSA-N 1 2 258.300 2.079 20 30 CEEDLO Cc1cc2c(nc[nH+]c2NC=CC(=O)C(F)(F)F)[nH]1 ZINC001158557431 812798290 /nfs/dbraw/zinc/79/82/90/812798290.db2.gz MIXVKXXARFDSFG-NSCUHMNNSA-N 1 2 270.214 2.323 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001132391129 812842411 /nfs/dbraw/zinc/84/24/11/812842411.db2.gz AQJDPHBBZMNZFU-UHFFFAOYSA-N 1 2 296.440 2.080 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1C ZINC001050799365 812865802 /nfs/dbraw/zinc/86/58/02/812865802.db2.gz VSOFDKDYBSXKNL-HNNXBMFYSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1C ZINC001050799365 812865813 /nfs/dbraw/zinc/86/58/13/812865813.db2.gz VSOFDKDYBSXKNL-HNNXBMFYSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001051078406 812881225 /nfs/dbraw/zinc/88/12/25/812881225.db2.gz UMRQRAJCJMZIDM-GJZGRUSLSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001051078406 812881234 /nfs/dbraw/zinc/88/12/34/812881234.db2.gz UMRQRAJCJMZIDM-GJZGRUSLSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001051122070 812883429 /nfs/dbraw/zinc/88/34/29/812883429.db2.gz BEAWICKOMRQQPJ-OWCLPIDISA-N 1 2 294.439 2.062 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001051122070 812883434 /nfs/dbraw/zinc/88/34/34/812883434.db2.gz BEAWICKOMRQQPJ-OWCLPIDISA-N 1 2 294.439 2.062 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2)CC[C@@H]1C ZINC001071427700 813403489 /nfs/dbraw/zinc/40/34/89/813403489.db2.gz PIYKEQCAUDNHPV-JSGCOSHPSA-N 1 2 295.814 2.360 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2)CC[C@@H]1C ZINC001071427700 813403492 /nfs/dbraw/zinc/40/34/92/813403492.db2.gz PIYKEQCAUDNHPV-JSGCOSHPSA-N 1 2 295.814 2.360 20 30 CEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2OCC3)cc1 ZINC001170983651 813718729 /nfs/dbraw/zinc/71/87/29/813718729.db2.gz DRKMIHBFDNMXKW-UHFFFAOYSA-N 1 2 296.326 2.445 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001074166448 813811457 /nfs/dbraw/zinc/81/14/57/813811457.db2.gz HOFJRDGILWXVKZ-LSDHHAIUSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001074166448 813811466 /nfs/dbraw/zinc/81/14/66/813811466.db2.gz HOFJRDGILWXVKZ-LSDHHAIUSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001074323243 813822987 /nfs/dbraw/zinc/82/29/87/813822987.db2.gz BLMKDJAYSORPLG-GJZGRUSLSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001074323243 813822993 /nfs/dbraw/zinc/82/29/93/813822993.db2.gz BLMKDJAYSORPLG-GJZGRUSLSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100691330 814173742 /nfs/dbraw/zinc/17/37/42/814173742.db2.gz NUVOLJCIFAPPHI-OLZOCXBDSA-N 1 2 290.411 2.186 20 30 CEEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001144854584 814199711 /nfs/dbraw/zinc/19/97/11/814199711.db2.gz PCBJVKMJHIPLBT-JTQLQIEISA-N 1 2 294.318 2.139 20 30 CEEDLO Cc1cccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c1C#N ZINC001171255892 814237006 /nfs/dbraw/zinc/23/70/06/814237006.db2.gz AXOKHVIAFONKSW-UHFFFAOYSA-N 1 2 278.315 2.003 20 30 CEEDLO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987621 814349669 /nfs/dbraw/zinc/34/96/69/814349669.db2.gz APXOEWAVXXYOMK-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987621 814349686 /nfs/dbraw/zinc/34/96/86/814349686.db2.gz APXOEWAVXXYOMK-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987621 814349694 /nfs/dbraw/zinc/34/96/94/814349694.db2.gz APXOEWAVXXYOMK-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987621 814349704 /nfs/dbraw/zinc/34/97/04/814349704.db2.gz APXOEWAVXXYOMK-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=C1CC(C)(C(=O)NC[C@H](C)CNc2cc[nH+]c(C)n2)C1 ZINC001104211329 814580634 /nfs/dbraw/zinc/58/06/34/814580634.db2.gz BZZUDRZLKZGYRC-GFCCVEGCSA-N 1 2 288.395 2.306 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ncc[nH]3)cc2)CC1 ZINC001148717671 814606273 /nfs/dbraw/zinc/60/62/73/814606273.db2.gz XYZHSDQGZIELRC-UHFFFAOYSA-N 1 2 296.374 2.021 20 30 CEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001112324594 814660651 /nfs/dbraw/zinc/66/06/51/814660651.db2.gz AMJXLKLYYHNBKV-OCCSQVGLSA-N 1 2 288.395 2.400 20 30 CEEDLO C#CCOCC[N@@H+](C)Cc1csc(CCC)n1 ZINC001116401539 814850426 /nfs/dbraw/zinc/85/04/26/814850426.db2.gz JJMVTFWXERKJNB-UHFFFAOYSA-N 1 2 252.383 2.177 20 30 CEEDLO C#CCOCC[N@H+](C)Cc1csc(CCC)n1 ZINC001116401539 814850432 /nfs/dbraw/zinc/85/04/32/814850432.db2.gz JJMVTFWXERKJNB-UHFFFAOYSA-N 1 2 252.383 2.177 20 30 CEEDLO CCn1cc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cn1 ZINC001117391816 814919520 /nfs/dbraw/zinc/91/95/20/814919520.db2.gz MOTACAMDTHNMPE-FPLPWBNLSA-N 1 2 270.336 2.260 20 30 CEEDLO C=CCN1CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173483916 815728385 /nfs/dbraw/zinc/72/83/85/815728385.db2.gz WXBXDBSUNLUFIZ-UHFFFAOYSA-N 1 2 278.346 2.236 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCOCC2(C)C)cc1OC ZINC001138345468 815771004 /nfs/dbraw/zinc/77/10/04/815771004.db2.gz IGDZLMPVOODCIU-UHFFFAOYSA-N 1 2 289.375 2.318 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCOCC2(C)C)cc1OC ZINC001138345468 815771011 /nfs/dbraw/zinc/77/10/11/815771011.db2.gz IGDZLMPVOODCIU-UHFFFAOYSA-N 1 2 289.375 2.318 20 30 CEEDLO N#C[C@@H]1CCCC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173670739 815783891 /nfs/dbraw/zinc/78/38/91/815783891.db2.gz GCNMMMIJXIXXRR-LBPRGKRZSA-N 1 2 275.318 2.391 20 30 CEEDLO N#C[C@@H]1CCCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC001173670739 815783895 /nfs/dbraw/zinc/78/38/95/815783895.db2.gz GCNMMMIJXIXXRR-LBPRGKRZSA-N 1 2 275.318 2.391 20 30 CEEDLO C=CCCC(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095280686 815914441 /nfs/dbraw/zinc/91/44/41/815914441.db2.gz FWFIUNVTPIGZHW-CYBMUJFWSA-N 1 2 274.368 2.154 20 30 CEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nc(C)c[nH]1)C2 ZINC001138937520 815932150 /nfs/dbraw/zinc/93/21/50/815932150.db2.gz BLDIJIWDNOLLRG-GOEBONIOSA-N 1 2 291.395 2.044 20 30 CEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nc(C)c[nH]1)C2 ZINC001138937520 815932153 /nfs/dbraw/zinc/93/21/53/815932153.db2.gz BLDIJIWDNOLLRG-GOEBONIOSA-N 1 2 291.395 2.044 20 30 CEEDLO C[C@@]1(CO)CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139687766 816083764 /nfs/dbraw/zinc/08/37/64/816083764.db2.gz YTKDTPXQCLBMFV-CQSZACIVSA-N 1 2 264.756 2.416 20 30 CEEDLO C[C@@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139687766 816083767 /nfs/dbraw/zinc/08/37/67/816083767.db2.gz YTKDTPXQCLBMFV-CQSZACIVSA-N 1 2 264.756 2.416 20 30 CEEDLO COC(C[N@H+](C)Cc1cccc(Cl)c1C#N)OC ZINC001139692141 816085612 /nfs/dbraw/zinc/08/56/12/816085612.db2.gz OUXRPOTUPKHNLN-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/27/56/92/816275692.db2.gz JPVJMBUJPJKWIW-UHFFFAOYSA-N 1 2 294.240 2.396 20 30 CEEDLO CNc1nc(SC)ncc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140842241 816381248 /nfs/dbraw/zinc/38/12/48/816381248.db2.gz XKJRTCRSYWZHOQ-NSHDSACASA-N 1 2 291.424 2.366 20 30 CEEDLO CNc1nc(SC)ncc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140842241 816381256 /nfs/dbraw/zinc/38/12/56/816381256.db2.gz XKJRTCRSYWZHOQ-NSHDSACASA-N 1 2 291.424 2.366 20 30 CEEDLO Cc1nccnc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001140934674 816417222 /nfs/dbraw/zinc/41/72/22/816417222.db2.gz RYAHNIXYPBLSHJ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1nccnc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001140934674 816417230 /nfs/dbraw/zinc/41/72/30/816417230.db2.gz RYAHNIXYPBLSHJ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO COc1cc(O)c(C[N@@H+]2CCC[C@H](C#N)C2)c(OC)c1 ZINC001141029657 816451435 /nfs/dbraw/zinc/45/14/35/816451435.db2.gz YSSQXUJIFUJAMH-LLVKDONJSA-N 1 2 276.336 2.145 20 30 CEEDLO COc1cc(O)c(C[N@H+]2CCC[C@H](C#N)C2)c(OC)c1 ZINC001141029657 816451441 /nfs/dbraw/zinc/45/14/41/816451441.db2.gz YSSQXUJIFUJAMH-LLVKDONJSA-N 1 2 276.336 2.145 20 30 CEEDLO C#CC[N@@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141086881 816472116 /nfs/dbraw/zinc/47/21/16/816472116.db2.gz OTORGVZTQANYPX-UHFFFAOYSA-N 1 2 275.352 2.494 20 30 CEEDLO C#CC[N@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141086881 816472121 /nfs/dbraw/zinc/47/21/21/816472121.db2.gz OTORGVZTQANYPX-UHFFFAOYSA-N 1 2 275.352 2.494 20 30 CEEDLO C=CCOc1ccccc1[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001176836071 816481815 /nfs/dbraw/zinc/48/18/15/816481815.db2.gz APOXRSGNGYTNOG-GFCCVEGCSA-N 1 2 285.347 2.394 20 30 CEEDLO CN1CCOc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc21 ZINC001141146568 816487296 /nfs/dbraw/zinc/48/72/96/816487296.db2.gz ZKBPFUKKOHPLPV-INIZCTEOSA-N 1 2 271.364 2.251 20 30 CEEDLO CN1CCOc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc21 ZINC001141146568 816487297 /nfs/dbraw/zinc/48/72/97/816487297.db2.gz ZKBPFUKKOHPLPV-INIZCTEOSA-N 1 2 271.364 2.251 20 30 CEEDLO CC(C)(NC(=O)CCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC001176878685 816488808 /nfs/dbraw/zinc/48/88/08/816488808.db2.gz FLSJYXGMCRJXSO-UHFFFAOYSA-N 1 2 282.347 2.196 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001141166428 816493354 /nfs/dbraw/zinc/49/33/54/816493354.db2.gz NIDKSHBJUVBXDE-HNNXBMFYSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001141166428 816493359 /nfs/dbraw/zinc/49/33/59/816493359.db2.gz NIDKSHBJUVBXDE-HNNXBMFYSA-N 1 2 260.312 2.452 20 30 CEEDLO C[N@H+](CCC#N)Cc1ccc(-c2ncccn2)cc1 ZINC001141185447 816498598 /nfs/dbraw/zinc/49/85/98/816498598.db2.gz NIKPGLQVLJBMPU-UHFFFAOYSA-N 1 2 252.321 2.489 20 30 CEEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ncccn2)cc1 ZINC001141185447 816498599 /nfs/dbraw/zinc/49/85/99/816498599.db2.gz NIKPGLQVLJBMPU-UHFFFAOYSA-N 1 2 252.321 2.489 20 30 CEEDLO N#C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176961977 816500743 /nfs/dbraw/zinc/50/07/43/816500743.db2.gz UQJJILWXZVQKHF-GJZGRUSLSA-N 1 2 298.390 2.203 20 30 CEEDLO CCn1ncc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)n1 ZINC000839076687 816562828 /nfs/dbraw/zinc/56/28/28/816562828.db2.gz AKEBYJGALUQXNY-UHFFFAOYSA-N 1 2 275.743 2.113 20 30 CEEDLO C=CC[N@@H+](C)Cc1c(OC)cc(OC)cc1C(=O)OC ZINC001141706964 816579516 /nfs/dbraw/zinc/57/95/16/816579516.db2.gz BQULZGXEOUKKSC-UHFFFAOYSA-N 1 2 279.336 2.108 20 30 CEEDLO C=CC[N@H+](C)Cc1c(OC)cc(OC)cc1C(=O)OC ZINC001141706964 816579522 /nfs/dbraw/zinc/57/95/22/816579522.db2.gz BQULZGXEOUKKSC-UHFFFAOYSA-N 1 2 279.336 2.108 20 30 CEEDLO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC001141900729 816597266 /nfs/dbraw/zinc/59/72/66/816597266.db2.gz DEMMCRCAKFOBJX-SNVBAGLBSA-N 1 2 295.180 2.135 20 30 CEEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC001141900729 816597269 /nfs/dbraw/zinc/59/72/69/816597269.db2.gz DEMMCRCAKFOBJX-SNVBAGLBSA-N 1 2 295.180 2.135 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001142599861 816692640 /nfs/dbraw/zinc/69/26/40/816692640.db2.gz XQMUPQHKCGDPSN-ZDUSSCGKSA-N 1 2 258.321 2.209 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001142599861 816692643 /nfs/dbraw/zinc/69/26/43/816692643.db2.gz XQMUPQHKCGDPSN-ZDUSSCGKSA-N 1 2 258.321 2.209 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C(C)C)ccn2)CC1 ZINC001178223618 816706874 /nfs/dbraw/zinc/70/68/74/816706874.db2.gz LDGYDHGPQQVWGK-UHFFFAOYSA-N 1 2 287.407 2.078 20 30 CEEDLO C[N@H+](Cc1c(F)ccc(C#N)c1F)[C@@H]1CCCOC1 ZINC001143178291 816800888 /nfs/dbraw/zinc/80/08/88/816800888.db2.gz APVVUKDFSSSRAB-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO C[N@@H+](Cc1c(F)ccc(C#N)c1F)[C@@H]1CCCOC1 ZINC001143178291 816800895 /nfs/dbraw/zinc/80/08/95/816800895.db2.gz APVVUKDFSSSRAB-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000121343645 365556676 /nfs/dbraw/zinc/55/66/76/365556676.db2.gz CJHRQLKQZMIWRL-AWEZNQCLSA-N 1 2 297.395 2.043 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000121343645 365556682 /nfs/dbraw/zinc/55/66/82/365556682.db2.gz CJHRQLKQZMIWRL-AWEZNQCLSA-N 1 2 297.395 2.043 20 30 CEEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000336329354 365557665 /nfs/dbraw/zinc/55/76/65/365557665.db2.gz HHBYTGWQGBXULT-GFCCVEGCSA-N 1 2 291.782 2.144 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000121459933 365571681 /nfs/dbraw/zinc/57/16/81/365571681.db2.gz YHDYMHJXSLLDQY-UHFFFAOYSA-N 1 2 278.352 2.109 20 30 CEEDLO C=CC[N@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000121459933 365571685 /nfs/dbraw/zinc/57/16/85/365571685.db2.gz YHDYMHJXSLLDQY-UHFFFAOYSA-N 1 2 278.352 2.109 20 30 CEEDLO COc1cc(C[NH2+]CCC#N)cc(Cl)c1OC ZINC000034992746 361802880 /nfs/dbraw/zinc/80/28/80/361802880.db2.gz QSKLFIIRRATIMU-UHFFFAOYSA-N 1 2 254.717 2.360 20 30 CEEDLO N#Cc1csc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000336537657 365616012 /nfs/dbraw/zinc/61/60/12/365616012.db2.gz OLIDCMMWERMVHA-SNVBAGLBSA-N 1 2 272.333 2.320 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601603577 346858601 /nfs/dbraw/zinc/85/86/01/346858601.db2.gz CTOQPLPBAZLMQV-NSHDSACASA-N 1 2 272.352 2.164 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccccc1CC#N ZINC000601609445 346860419 /nfs/dbraw/zinc/86/04/19/346860419.db2.gz ZSRIMINVLVFXPU-LBPRGKRZSA-N 1 2 282.347 2.460 20 30 CEEDLO C=CCOCCCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000080322659 344006037 /nfs/dbraw/zinc/00/60/37/344006037.db2.gz RARGGHPVDWHFDR-UHFFFAOYSA-N 1 2 299.374 2.471 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127832860 187335736 /nfs/dbraw/zinc/33/57/36/187335736.db2.gz WWMPWDXUBLYSAO-AWEZNQCLSA-N 1 2 275.396 2.499 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127832860 187335737 /nfs/dbraw/zinc/33/57/37/187335737.db2.gz WWMPWDXUBLYSAO-AWEZNQCLSA-N 1 2 275.396 2.499 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000601710901 346885275 /nfs/dbraw/zinc/88/52/75/346885275.db2.gz KQYMRFFZZBFPDU-LLVKDONJSA-N 1 2 284.294 2.095 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c[nH+]1 ZINC000328796000 539180533 /nfs/dbraw/zinc/18/05/33/539180533.db2.gz UKPBGZKXCVXUIG-WCQGTBRESA-N 1 2 263.341 2.226 20 30 CEEDLO Cc1cn2cc(NC(=O)[C@H]3CCN(C)C(=O)C3)ccc2[nH+]1 ZINC000328802207 539182668 /nfs/dbraw/zinc/18/26/68/539182668.db2.gz ZTPWYXHKWURSFQ-NSHDSACASA-N 1 2 286.335 2.099 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)ccn12 ZINC000601802365 346901575 /nfs/dbraw/zinc/90/15/75/346901575.db2.gz SXSCDGVULWNDKC-ZIAGYGMSSA-N 1 2 282.347 2.407 20 30 CEEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000125950914 187206568 /nfs/dbraw/zinc/20/65/68/187206568.db2.gz WSOJQGWNULIAFT-KPZWWZAWSA-N 1 2 283.824 2.390 20 30 CEEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000125950914 187206569 /nfs/dbraw/zinc/20/65/69/187206569.db2.gz WSOJQGWNULIAFT-KPZWWZAWSA-N 1 2 283.824 2.390 20 30 CEEDLO Cc1cccn2cc(CC(=O)N(C)[C@@H]3CCC[C@H]3C#N)[nH+]c12 ZINC000601808172 346904213 /nfs/dbraw/zinc/90/42/13/346904213.db2.gz KECAXRQQWXXIAE-DZGCQCFKSA-N 1 2 296.374 2.336 20 30 CEEDLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCC[C@@H]1C#N ZINC000601811334 346905874 /nfs/dbraw/zinc/90/58/74/346905874.db2.gz JHPVLEJNTUTUMY-DOMZBBRYSA-N 1 2 295.346 2.032 20 30 CEEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCC[C@H]3C#N)ccc2[nH+]1 ZINC000329720594 539247735 /nfs/dbraw/zinc/24/77/35/539247735.db2.gz DQDAIDRBWIQGOS-WCQYABFASA-N 1 2 283.335 2.470 20 30 CEEDLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000007017723 343357532 /nfs/dbraw/zinc/35/75/32/343357532.db2.gz PMHVUITXOAMJRJ-OAHLLOKOSA-N 1 2 277.368 2.074 20 30 CEEDLO Cc1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000007017723 343357533 /nfs/dbraw/zinc/35/75/33/343357533.db2.gz PMHVUITXOAMJRJ-OAHLLOKOSA-N 1 2 277.368 2.074 20 30 CEEDLO C=C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)C(=O)OC ZINC000601942132 346935401 /nfs/dbraw/zinc/93/54/01/346935401.db2.gz RGWSPYAGDDNDJE-STQMWFEESA-N 1 2 267.369 2.043 20 30 CEEDLO CN(CC[NH+]1CCOCC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000041483806 343441152 /nfs/dbraw/zinc/44/11/52/343441152.db2.gz MTXCFBXKVZDWPT-HNNXBMFYSA-N 1 2 293.798 2.169 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000044590231 343474814 /nfs/dbraw/zinc/47/48/14/343474814.db2.gz HZUFMKJSQCBPJF-HNNXBMFYSA-N 1 2 289.379 2.321 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000044590231 343474816 /nfs/dbraw/zinc/47/48/16/343474816.db2.gz HZUFMKJSQCBPJF-HNNXBMFYSA-N 1 2 289.379 2.321 20 30 CEEDLO CN1CCCC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1=O ZINC000601968387 346946380 /nfs/dbraw/zinc/94/63/80/346946380.db2.gz FMQNJONOEAZMIT-HNNXBMFYSA-N 1 2 289.354 2.140 20 30 CEEDLO CN1CCCC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1=O ZINC000601968387 346946382 /nfs/dbraw/zinc/94/63/82/346946382.db2.gz FMQNJONOEAZMIT-HNNXBMFYSA-N 1 2 289.354 2.140 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000058890281 343649544 /nfs/dbraw/zinc/64/95/44/343649544.db2.gz FJMRYGIFFXNBHY-DOMZBBRYSA-N 1 2 277.368 2.154 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000058890281 343649545 /nfs/dbraw/zinc/64/95/45/343649545.db2.gz FJMRYGIFFXNBHY-DOMZBBRYSA-N 1 2 277.368 2.154 20 30 CEEDLO C[N@@H+]1CC[C@@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000336008772 529795863 /nfs/dbraw/zinc/79/58/63/529795863.db2.gz KIOIALWNJVVSGG-OLZOCXBDSA-N 1 2 267.735 2.337 20 30 CEEDLO C[N@H+]1CC[C@@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000336008772 529795865 /nfs/dbraw/zinc/79/58/65/529795865.db2.gz KIOIALWNJVVSGG-OLZOCXBDSA-N 1 2 267.735 2.337 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602075531 346969020 /nfs/dbraw/zinc/96/90/20/346969020.db2.gz YYQHSGPAZZQHHM-GFCCVEGCSA-N 1 2 298.346 2.200 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)C[C@H](C)C#N ZINC000067978575 343750970 /nfs/dbraw/zinc/75/09/70/343750970.db2.gz XRIHDLJARFVETK-CYBMUJFWSA-N 1 2 291.370 2.266 20 30 CEEDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1F)C[C@H](C)C#N ZINC000067978575 343750973 /nfs/dbraw/zinc/75/09/73/343750973.db2.gz XRIHDLJARFVETK-CYBMUJFWSA-N 1 2 291.370 2.266 20 30 CEEDLO CC[N@@H+](CCC#N)CCOc1cccc(C(=O)OC)c1 ZINC000081054564 344037744 /nfs/dbraw/zinc/03/77/44/344037744.db2.gz JMGDKESDWPUKLB-UHFFFAOYSA-N 1 2 276.336 2.088 20 30 CEEDLO CC[N@H+](CCC#N)CCOc1cccc(C(=O)OC)c1 ZINC000081054564 344037746 /nfs/dbraw/zinc/03/77/46/344037746.db2.gz JMGDKESDWPUKLB-UHFFFAOYSA-N 1 2 276.336 2.088 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602136482 346980642 /nfs/dbraw/zinc/98/06/42/346980642.db2.gz QPXCXSPKFOHBMV-VHSXEESVSA-N 1 2 288.273 2.185 20 30 CEEDLO CC[C@H](CC#N)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602135562 346980658 /nfs/dbraw/zinc/98/06/58/346980658.db2.gz KHAHZDABBNPJTO-CHWSQXEVSA-N 1 2 262.357 2.279 20 30 CEEDLO N#C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCSC1 ZINC000077035825 343905601 /nfs/dbraw/zinc/90/56/01/343905601.db2.gz HELZKTFRXVNZON-HNNXBMFYSA-N 1 2 298.371 2.001 20 30 CEEDLO CC(C)n1ncnc1C[NH2+]Cc1cccc(C#N)c1 ZINC000088589634 344111994 /nfs/dbraw/zinc/11/19/94/344111994.db2.gz WTCKONGIYNKBMK-UHFFFAOYSA-N 1 2 255.325 2.020 20 30 CEEDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)C(C)(C)C ZINC000119173669 344293839 /nfs/dbraw/zinc/29/38/39/344293839.db2.gz LZBYPNZSWOQXOI-AWEZNQCLSA-N 1 2 290.363 2.114 20 30 CEEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000602474980 347048557 /nfs/dbraw/zinc/04/85/57/347048557.db2.gz KCYQTAUSLKRTEF-WCQYABFASA-N 1 2 277.393 2.161 20 30 CEEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000602474980 347048560 /nfs/dbraw/zinc/04/85/60/347048560.db2.gz KCYQTAUSLKRTEF-WCQYABFASA-N 1 2 277.393 2.161 20 30 CEEDLO N#CCN(Cc1cc2c(c[nH+]1)OCCO2)C1CCCC1 ZINC000602478956 347052332 /nfs/dbraw/zinc/05/23/32/347052332.db2.gz VWWYSCNCPJWFED-UHFFFAOYSA-N 1 2 273.336 2.121 20 30 CEEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)CC1(C#N)CC1 ZINC000347448969 529991053 /nfs/dbraw/zinc/99/10/53/529991053.db2.gz ASEFZLFPXWNLSP-SFHVURJKSA-N 1 2 262.378 2.160 20 30 CEEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)CC1(C#N)CC1 ZINC000347448969 529991055 /nfs/dbraw/zinc/99/10/55/529991055.db2.gz ASEFZLFPXWNLSP-SFHVURJKSA-N 1 2 262.378 2.160 20 30 CEEDLO Cn1c[nH+]cc1CNc1nc2c(cc1C#N)CCCC2 ZINC000291075508 344685412 /nfs/dbraw/zinc/68/54/12/344685412.db2.gz HOLLPIYXOKRMBH-UHFFFAOYSA-N 1 2 267.336 2.178 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000351067080 344793377 /nfs/dbraw/zinc/79/33/77/344793377.db2.gz TVXSRKVHBJQQLU-MEBBXXQBSA-N 1 2 279.303 2.109 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000584683001 344976396 /nfs/dbraw/zinc/97/63/96/344976396.db2.gz SSNRQIVPZRDDGJ-KOLCDFICSA-N 1 2 251.355 2.244 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000054183763 362517241 /nfs/dbraw/zinc/51/72/41/362517241.db2.gz XWRSOKLLCFMRRW-JTQLQIEISA-N 1 2 250.298 2.157 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000589164214 345068570 /nfs/dbraw/zinc/06/85/70/345068570.db2.gz SCIURXDZXVZWNT-YPMHNXCESA-N 1 2 271.368 2.272 20 30 CEEDLO N#Cc1cccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)n1 ZINC000589309129 345075907 /nfs/dbraw/zinc/07/59/07/345075907.db2.gz 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/nfs/dbraw/zinc/31/84/94/345318494.db2.gz OLXRHVICBAAREF-HNNXBMFYSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccncc1C#N ZINC000592070649 345318496 /nfs/dbraw/zinc/31/84/96/345318496.db2.gz OLXRHVICBAAREF-HNNXBMFYSA-N 1 2 259.353 2.200 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nc1C(F)F)C[C@H](C)C#N ZINC000361181725 266795970 /nfs/dbraw/zinc/79/59/70/266795970.db2.gz QNIOVCXMSZQJES-SECBINFHSA-N 1 2 256.300 2.339 20 30 CEEDLO CC[N@H+](Cc1cn(C)nc1C(F)F)C[C@H](C)C#N ZINC000361181725 266795972 /nfs/dbraw/zinc/79/59/72/266795972.db2.gz QNIOVCXMSZQJES-SECBINFHSA-N 1 2 256.300 2.339 20 30 CEEDLO N#CCC[NH2+]Cc1nc2c(cccc2Br)[nH]1 ZINC000591771146 345279349 /nfs/dbraw/zinc/27/93/49/345279349.db2.gz PEZRMAGPAXSHJX-UHFFFAOYSA-N 1 2 279.141 2.329 20 30 CEEDLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147567 345329286 /nfs/dbraw/zinc/32/92/86/345329286.db2.gz QDAGIFWCECDJIJ-MLGOLLRUSA-N 1 2 298.346 2.148 20 30 CEEDLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147567 345329288 /nfs/dbraw/zinc/32/92/88/345329288.db2.gz QDAGIFWCECDJIJ-MLGOLLRUSA-N 1 2 298.346 2.148 20 30 CEEDLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147106 345329361 /nfs/dbraw/zinc/32/93/61/345329361.db2.gz LUMQFEPRMPJITA-YGRLFVJLSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147106 345329365 /nfs/dbraw/zinc/32/93/65/345329365.db2.gz LUMQFEPRMPJITA-YGRLFVJLSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593094224 345437137 /nfs/dbraw/zinc/43/71/37/345437137.db2.gz XVMYJMBCFMKVEH-ZDUSSCGKSA-N 1 2 299.374 2.140 20 30 CEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593094224 345437141 /nfs/dbraw/zinc/43/71/41/345437141.db2.gz XVMYJMBCFMKVEH-ZDUSSCGKSA-N 1 2 299.374 2.140 20 30 CEEDLO CC(C)OC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120323 345443914 /nfs/dbraw/zinc/44/39/14/345443914.db2.gz OMKLDXPDFWOUMA-UHFFFAOYSA-N 1 2 258.321 2.216 20 30 CEEDLO CC(C)OC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120323 345443915 /nfs/dbraw/zinc/44/39/15/345443915.db2.gz OMKLDXPDFWOUMA-UHFFFAOYSA-N 1 2 258.321 2.216 20 30 CEEDLO CC(C)Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593155586 345448178 /nfs/dbraw/zinc/44/81/78/345448178.db2.gz GYHFOSONXJMOOC-KRWDZBQOSA-N 1 2 287.407 2.459 20 30 CEEDLO N#Cc1cccc2c1CN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000593520441 345502473 /nfs/dbraw/zinc/50/24/73/345502473.db2.gz OIAYQJIYFUEWRR-UHFFFAOYSA-N 1 2 277.331 2.443 20 30 CEEDLO N#Cc1cccc2c1CN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000593520441 345502475 /nfs/dbraw/zinc/50/24/75/345502475.db2.gz OIAYQJIYFUEWRR-UHFFFAOYSA-N 1 2 277.331 2.443 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1nncn1-c1ccccc1 ZINC000594006857 345564915 /nfs/dbraw/zinc/56/49/15/345564915.db2.gz RNUJISYBRXSBDS-LBPRGKRZSA-N 1 2 255.325 2.049 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C2(CCC2)CO1 ZINC000594015178 345566900 /nfs/dbraw/zinc/56/69/00/345566900.db2.gz VJUZIOLUBJEZTB-LBPRGKRZSA-N 1 2 257.337 2.097 20 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/nfs/dbraw/zinc/81/29/74/345812974.db2.gz AEJDYOAZHGXIES-CSMYWGQOSA-N 1 2 295.386 2.321 20 30 CEEDLO CC[C@H](C)[C@H]([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000595427324 345780282 /nfs/dbraw/zinc/78/02/82/345780282.db2.gz BASMUFVYQASEHT-WFASDCNBSA-N 1 2 274.364 2.278 20 30 CEEDLO N#Cc1ccc(CC[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)cc1 ZINC000595471997 345791414 /nfs/dbraw/zinc/79/14/14/345791414.db2.gz DBPLERDWVGADNM-AWEZNQCLSA-N 1 2 298.346 2.069 20 30 CEEDLO N#Cc1ccc(CC[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)cc1 ZINC000595471997 345791417 /nfs/dbraw/zinc/79/14/17/345791417.db2.gz DBPLERDWVGADNM-AWEZNQCLSA-N 1 2 298.346 2.069 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ncns2)CC1 ZINC000595517625 345802069 /nfs/dbraw/zinc/80/20/69/345802069.db2.gz XCAGZKCXNDHHIP-GFCCVEGCSA-N 1 2 299.403 2.293 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000595537290 345805236 /nfs/dbraw/zinc/80/52/36/345805236.db2.gz AMQHRLVVKFLDJK-LLVKDONJSA-N 1 2 283.335 2.184 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000595537290 345805241 /nfs/dbraw/zinc/80/52/41/345805241.db2.gz AMQHRLVVKFLDJK-LLVKDONJSA-N 1 2 283.335 2.184 20 30 CEEDLO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619557 345829712 /nfs/dbraw/zinc/82/97/12/345829712.db2.gz DEBMNTPTIWFIEQ-CYBMUJFWSA-N 1 2 261.373 2.122 20 30 CEEDLO CCCn1c(C)nnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619557 345829713 /nfs/dbraw/zinc/82/97/13/345829713.db2.gz DEBMNTPTIWFIEQ-CYBMUJFWSA-N 1 2 261.373 2.122 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CC#N)C2)c2[nH+]ccn21 ZINC000595641807 345835501 /nfs/dbraw/zinc/83/55/01/345835501.db2.gz DIIYLXDVSPXCHG-FRRDWIJNSA-N 1 2 287.367 2.224 20 30 CEEDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834019 345890402 /nfs/dbraw/zinc/89/04/02/345890402.db2.gz JKLHACBHDYKURY-SWLSCSKDSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834019 345890406 /nfs/dbraw/zinc/89/04/06/345890406.db2.gz JKLHACBHDYKURY-SWLSCSKDSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CC[S@](=O)c2ccccc2)C1 ZINC000595838390 345894174 /nfs/dbraw/zinc/89/41/74/345894174.db2.gz BHZCHVPXWIKIRC-KSSFIOAISA-N 1 2 262.378 2.030 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CC[S@](=O)c2ccccc2)C1 ZINC000595838390 345894176 /nfs/dbraw/zinc/89/41/76/345894176.db2.gz BHZCHVPXWIKIRC-KSSFIOAISA-N 1 2 262.378 2.030 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000595840030 345895076 /nfs/dbraw/zinc/89/50/76/345895076.db2.gz NSRBBNWYTBYHBZ-HNNXBMFYSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000595840030 345895079 /nfs/dbraw/zinc/89/50/79/345895079.db2.gz NSRBBNWYTBYHBZ-HNNXBMFYSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000595841877 345895336 /nfs/dbraw/zinc/89/53/36/345895336.db2.gz XKTJROCLSBENMZ-SFHVURJKSA-N 1 2 297.402 2.413 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000595841877 345895341 /nfs/dbraw/zinc/89/53/41/345895341.db2.gz XKTJROCLSBENMZ-SFHVURJKSA-N 1 2 297.402 2.413 20 30 CEEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)o1 ZINC000595841402 345895348 /nfs/dbraw/zinc/89/53/48/345895348.db2.gz VOSUJHBZJWUAKZ-CQSZACIVSA-N 1 2 262.309 2.110 20 30 CEEDLO COC(=O)c1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)o1 ZINC000595841402 345895350 /nfs/dbraw/zinc/89/53/50/345895350.db2.gz VOSUJHBZJWUAKZ-CQSZACIVSA-N 1 2 262.309 2.110 20 30 CEEDLO COC(=O)c1ccc([C@@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595841722 345895731 /nfs/dbraw/zinc/89/57/31/345895731.db2.gz WXGAPPWOYUEXSK-YGRLFVJLSA-N 1 2 262.309 2.363 20 30 CEEDLO COC(=O)c1ccc([C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595841722 345895732 /nfs/dbraw/zinc/89/57/32/345895732.db2.gz WXGAPPWOYUEXSK-YGRLFVJLSA-N 1 2 262.309 2.363 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)C#N ZINC000595817262 345884312 /nfs/dbraw/zinc/88/43/12/345884312.db2.gz INSLIXUVLJUHHU-GFCCVEGCSA-N 1 2 270.336 2.121 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)C#N ZINC000595817262 345884315 /nfs/dbraw/zinc/88/43/15/345884315.db2.gz INSLIXUVLJUHHU-GFCCVEGCSA-N 1 2 270.336 2.121 20 30 CEEDLO CC(=O)c1ccc(C#N)c(NCCCn2cc[nH+]c2)c1 ZINC000273265998 192092558 /nfs/dbraw/zinc/09/25/58/192092558.db2.gz YQSFLASKGYTQFY-UHFFFAOYSA-N 1 2 268.320 2.460 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1nc(C#N)c(Cl)s1 ZINC000596060296 345930128 /nfs/dbraw/zinc/93/01/28/345930128.db2.gz FAAVRZUTGZMZBH-UHFFFAOYSA-N 1 2 267.745 2.038 20 30 CEEDLO C[C@H]1C[N@H+](CCNc2c(F)cc(C#N)cc2F)[C@@H](C)CO1 ZINC000596426534 346020378 /nfs/dbraw/zinc/02/03/78/346020378.db2.gz BOJFOTSAACMUID-QWRGUYRKSA-N 1 2 295.333 2.358 20 30 CEEDLO C[C@H]1C[N@@H+](CCNc2c(F)cc(C#N)cc2F)[C@@H](C)CO1 ZINC000596426534 346020380 /nfs/dbraw/zinc/02/03/80/346020380.db2.gz BOJFOTSAACMUID-QWRGUYRKSA-N 1 2 295.333 2.358 20 30 CEEDLO Cc1cc(NC[C@@H]2C(C)(C)C2(F)F)c(C#N)c[nH+]1 ZINC000596512311 346042825 /nfs/dbraw/zinc/04/28/25/346042825.db2.gz DGJDQSOWRSFALU-LLVKDONJSA-N 1 2 251.280 2.387 20 30 CEEDLO C[C@@H](CC#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000596705616 346077746 /nfs/dbraw/zinc/07/77/46/346077746.db2.gz LZFSHGVKDRJJCO-VIFPVBQESA-N 1 2 276.727 2.154 20 30 CEEDLO Cc1ccc(NC(=O)N2CC[C@](C)(C#N)C2)c(C)[nH+]1 ZINC000596789657 346090613 /nfs/dbraw/zinc/09/06/13/346090613.db2.gz CXKQAADLVNHVIL-CQSZACIVSA-N 1 2 258.325 2.466 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596801900 346091735 /nfs/dbraw/zinc/09/17/35/346091735.db2.gz UXSMZKNARHPBQE-LLVKDONJSA-N 1 2 283.335 2.483 20 30 CEEDLO CCN(CC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596919002 346106343 /nfs/dbraw/zinc/10/63/43/346106343.db2.gz JDCZVWLYJXZSPM-AWEZNQCLSA-N 1 2 282.347 2.304 20 30 CEEDLO N#CCC1C[NH+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000597203824 346148324 /nfs/dbraw/zinc/14/83/24/346148324.db2.gz OYMABTZGROYWMZ-UHFFFAOYSA-N 1 2 287.754 2.266 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)[nH]c1C ZINC000597230953 346155776 /nfs/dbraw/zinc/15/57/76/346155776.db2.gz KLNHAEXPDYQWPZ-HNNXBMFYSA-N 1 2 275.352 2.235 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@@](C)(C#N)C2)[nH]c1C ZINC000597230953 346155779 /nfs/dbraw/zinc/15/57/79/346155779.db2.gz KLNHAEXPDYQWPZ-HNNXBMFYSA-N 1 2 275.352 2.235 20 30 CEEDLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)C#N ZINC000598348835 346333823 /nfs/dbraw/zinc/33/38/23/346333823.db2.gz CTMWEOIFPRRLRI-ZDUSSCGKSA-N 1 2 282.347 2.306 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@](C)(C#N)C1 ZINC000598415112 346351403 /nfs/dbraw/zinc/35/14/03/346351403.db2.gz LLSAGTYTUGBSJI-QGZVFWFLSA-N 1 2 296.374 2.497 20 30 CEEDLO CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@H](C)C#N ZINC000598363069 346339633 /nfs/dbraw/zinc/33/96/33/346339633.db2.gz MCXRTKNHPMFJGW-SNVBAGLBSA-N 1 2 270.336 2.256 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000598701440 346403640 /nfs/dbraw/zinc/40/36/40/346403640.db2.gz KLJDMZQGURKALR-CYBMUJFWSA-N 1 2 270.336 2.246 20 30 CEEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000602607159 347098393 /nfs/dbraw/zinc/09/83/93/347098393.db2.gz HDUNYUPZVYRGTL-WFASDCNBSA-N 1 2 289.354 2.238 20 30 CEEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000602607159 347098394 /nfs/dbraw/zinc/09/83/94/347098394.db2.gz HDUNYUPZVYRGTL-WFASDCNBSA-N 1 2 289.354 2.238 20 30 CEEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668543 346559618 /nfs/dbraw/zinc/55/96/18/346559618.db2.gz LCUNWSPPZFXSCR-CZUORRHYSA-N 1 2 297.358 2.202 20 30 CEEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668543 346559619 /nfs/dbraw/zinc/55/96/19/346559619.db2.gz LCUNWSPPZFXSCR-CZUORRHYSA-N 1 2 297.358 2.202 20 30 CEEDLO CC[C@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675026 346561451 /nfs/dbraw/zinc/56/14/51/346561451.db2.gz HBPPTYFRLYFKQN-ZDUSSCGKSA-N 1 2 285.391 2.025 20 30 CEEDLO CC[C@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675026 346561453 /nfs/dbraw/zinc/56/14/53/346561453.db2.gz HBPPTYFRLYFKQN-ZDUSSCGKSA-N 1 2 285.391 2.025 20 30 CEEDLO C[C@@H](c1nccc(N)n1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676772 346562597 /nfs/dbraw/zinc/56/25/97/346562597.db2.gz CBJBNURTYWOHFC-LBPRGKRZSA-N 1 2 293.374 2.075 20 30 CEEDLO C[C@@H](c1nccc(N)n1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676772 346562600 /nfs/dbraw/zinc/56/26/00/346562600.db2.gz CBJBNURTYWOHFC-LBPRGKRZSA-N 1 2 293.374 2.075 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679425 346563418 /nfs/dbraw/zinc/56/34/18/346563418.db2.gz RTSJRNWPEGQAKX-GFCCVEGCSA-N 1 2 272.348 2.062 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679425 346563420 /nfs/dbraw/zinc/56/34/20/346563420.db2.gz RTSJRNWPEGQAKX-GFCCVEGCSA-N 1 2 272.348 2.062 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599557429 346537258 /nfs/dbraw/zinc/53/72/58/346537258.db2.gz CCCKNYBISRSCIF-CZUORRHYSA-N 1 2 283.412 2.415 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600612739 346662419 /nfs/dbraw/zinc/66/24/19/346662419.db2.gz CAXLQYQCTOAODH-CABZTGNLSA-N 1 2 295.745 2.476 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)o1 ZINC000600208289 346623460 /nfs/dbraw/zinc/62/34/60/346623460.db2.gz QBMJOOAPRJRCHU-UHFFFAOYSA-N 1 2 254.289 2.415 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)o1 ZINC000600208289 346623461 /nfs/dbraw/zinc/62/34/61/346623461.db2.gz QBMJOOAPRJRCHU-UHFFFAOYSA-N 1 2 254.289 2.415 20 30 CEEDLO COCCCNc1ccc(-c2ccc(OC)cc2C#N)c[nH+]1 ZINC000600790655 346691660 /nfs/dbraw/zinc/69/16/60/346691660.db2.gz MDHISINEUGDYNB-UHFFFAOYSA-N 1 2 297.358 2.499 20 30 CEEDLO N#CCc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000601024580 346734288 /nfs/dbraw/zinc/73/42/88/346734288.db2.gz TZUGCQUEOZSXKV-UHFFFAOYSA-N 1 2 294.358 2.496 20 30 CEEDLO N#Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1Cl ZINC000336818791 365864459 /nfs/dbraw/zinc/86/44/59/365864459.db2.gz XAMAQWANSJOMLQ-UHFFFAOYSA-N 1 2 274.711 2.437 20 30 CEEDLO Cc1ccnc(NCC(C)(C)n2cc[nH+]c2)c1C#N ZINC000601197984 346784225 /nfs/dbraw/zinc/78/42/25/346784225.db2.gz KFGCOLKCMFBUGD-UHFFFAOYSA-N 1 2 255.325 2.305 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)CCC#N)c1cccs1 ZINC000602635205 347115155 /nfs/dbraw/zinc/11/51/55/347115155.db2.gz QBSBLDCBVVFEMI-PWSUYJOCSA-N 1 2 266.366 2.492 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)OCC ZINC000602679551 347141045 /nfs/dbraw/zinc/14/10/45/347141045.db2.gz GXMNHYFRFVHKNM-UTUOFQBUSA-N 1 2 257.399 2.368 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)CCN(C#N)CC ZINC000602775828 347193106 /nfs/dbraw/zinc/19/31/06/347193106.db2.gz BPFNTKIMXGXWSJ-UHFFFAOYSA-N 1 2 250.390 2.441 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)CCN(C#N)CC ZINC000602775828 347193110 /nfs/dbraw/zinc/19/31/10/347193110.db2.gz BPFNTKIMXGXWSJ-UHFFFAOYSA-N 1 2 250.390 2.441 20 30 CEEDLO CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H](C)C#N ZINC000064249187 362783017 /nfs/dbraw/zinc/78/30/17/362783017.db2.gz AOHURVDZVJBQJV-AWEZNQCLSA-N 1 2 267.417 2.361 20 30 CEEDLO CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H](C)C#N ZINC000064249187 362783025 /nfs/dbraw/zinc/78/30/25/362783025.db2.gz AOHURVDZVJBQJV-AWEZNQCLSA-N 1 2 267.417 2.361 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OC ZINC000602733012 347177042 /nfs/dbraw/zinc/17/70/42/347177042.db2.gz GQQMGWNETBFXRV-BPCQOVAHSA-N 1 2 255.358 2.040 20 30 CEEDLO C=C(C)C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)C(=O)OC ZINC000602733690 347177982 /nfs/dbraw/zinc/17/79/82/347177982.db2.gz KZGBUXBHWRSKSM-INIZCTEOSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000602735076 347178581 /nfs/dbraw/zinc/17/85/81/347178581.db2.gz SFNGKASZKSINPU-UPJWGTAASA-N 1 2 250.342 2.166 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000602937627 347251912 /nfs/dbraw/zinc/25/19/12/347251912.db2.gz JXSNJGYFWCEECY-UHFFFAOYSA-N 1 2 270.336 2.101 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000602937627 347251916 /nfs/dbraw/zinc/25/19/16/347251916.db2.gz JXSNJGYFWCEECY-UHFFFAOYSA-N 1 2 270.336 2.101 20 30 CEEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CC1(CC#N)CC1 ZINC000602832823 347217279 /nfs/dbraw/zinc/21/72/79/347217279.db2.gz SFZCLJAPBWGUPX-NXEZZACHSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602832823 347217281 /nfs/dbraw/zinc/21/72/81/347217281.db2.gz SFZCLJAPBWGUPX-NXEZZACHSA-N 1 2 262.275 2.332 20 30 CEEDLO Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C)CC#N)C2CC2)cc1 ZINC000602859689 347228462 /nfs/dbraw/zinc/22/84/62/347228462.db2.gz ABWSZJHAONLBFD-DYVFJYSZSA-N 1 2 285.391 2.454 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602861616 347228889 /nfs/dbraw/zinc/22/88/89/347228889.db2.gz GQZNLSVQQOPNKK-JHJVBQTASA-N 1 2 251.374 2.058 20 30 CEEDLO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)CC#N)cc1C ZINC000602863260 347230003 /nfs/dbraw/zinc/23/00/03/347230003.db2.gz MCVQFESSYFLJJK-KGLIPLIRSA-N 1 2 273.380 2.372 20 30 CEEDLO CC(C)c1n[nH]c(CC2CC[NH+](CCC#N)CC2)n1 ZINC000602866807 347231223 /nfs/dbraw/zinc/23/12/23/347231223.db2.gz RQFGLOHZQHGLMO-UHFFFAOYSA-N 1 2 261.373 2.096 20 30 CEEDLO CC(C)c1nnc(CC2CC[NH+](CCC#N)CC2)[nH]1 ZINC000602866807 347231226 /nfs/dbraw/zinc/23/12/26/347231226.db2.gz RQFGLOHZQHGLMO-UHFFFAOYSA-N 1 2 261.373 2.096 20 30 CEEDLO CC(C)c1nc(CC2CC[NH+](CCC#N)CC2)n[nH]1 ZINC000602866807 347231228 /nfs/dbraw/zinc/23/12/28/347231228.db2.gz RQFGLOHZQHGLMO-UHFFFAOYSA-N 1 2 261.373 2.096 20 30 CEEDLO CC(C)[C@@H](CNC(=O)C[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602870404 347231927 /nfs/dbraw/zinc/23/19/27/347231927.db2.gz SYFLIFRIIGIKLY-GDBMZVCRSA-N 1 2 287.407 2.434 20 30 CEEDLO N#CCC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602880118 347236275 /nfs/dbraw/zinc/23/62/75/347236275.db2.gz DRHNJMJQDVVSKC-NSHDSACASA-N 1 2 296.168 2.211 20 30 CEEDLO N#CCC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602880118 347236278 /nfs/dbraw/zinc/23/62/78/347236278.db2.gz DRHNJMJQDVVSKC-NSHDSACASA-N 1 2 296.168 2.211 20 30 CEEDLO Cc1csc(CC2(O)CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000602892595 347240051 /nfs/dbraw/zinc/24/00/51/347240051.db2.gz LKCQUSGEJQRWTB-UHFFFAOYSA-N 1 2 291.420 2.125 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000602943054 347253343 /nfs/dbraw/zinc/25/33/43/347253343.db2.gz NPOXSPCPAIQHPW-UHFFFAOYSA-N 1 2 297.362 2.050 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000602943054 347253344 /nfs/dbraw/zinc/25/33/44/347253344.db2.gz NPOXSPCPAIQHPW-UHFFFAOYSA-N 1 2 297.362 2.050 20 30 CEEDLO COCc1ncc2c(n1)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000602927361 347249397 /nfs/dbraw/zinc/24/93/97/347249397.db2.gz DQUWIRDWDRAYQF-UHFFFAOYSA-N 1 2 294.358 2.053 20 30 CEEDLO COCc1ncc2c(n1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000602927361 347249401 /nfs/dbraw/zinc/24/94/01/347249401.db2.gz DQUWIRDWDRAYQF-UHFFFAOYSA-N 1 2 294.358 2.053 20 30 CEEDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)[C@](C)(CO)C1 ZINC000602965052 347258547 /nfs/dbraw/zinc/25/85/47/347258547.db2.gz YJNVKQQHFLJFFP-GJZGRUSLSA-N 1 2 294.782 2.183 20 30 CEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@](C)(CO)C1 ZINC000602965052 347258550 /nfs/dbraw/zinc/25/85/50/347258550.db2.gz YJNVKQQHFLJFFP-GJZGRUSLSA-N 1 2 294.782 2.183 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976522 347262469 /nfs/dbraw/zinc/26/24/69/347262469.db2.gz QQXCTQOXFKWFLQ-MGPQQGTHSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976522 347262472 /nfs/dbraw/zinc/26/24/72/347262472.db2.gz QQXCTQOXFKWFLQ-MGPQQGTHSA-N 1 2 263.385 2.011 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602981501 347265049 /nfs/dbraw/zinc/26/50/49/347265049.db2.gz FEVZCFKNLKSQGG-DOMZBBRYSA-N 1 2 287.363 2.382 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602981501 347265053 /nfs/dbraw/zinc/26/50/53/347265053.db2.gz FEVZCFKNLKSQGG-DOMZBBRYSA-N 1 2 287.363 2.382 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC000602983542 347265757 /nfs/dbraw/zinc/26/57/57/347265757.db2.gz MRLBNHISQDILRN-UHFFFAOYSA-N 1 2 270.332 2.228 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccc(C#N)cc1 ZINC000602983542 347265761 /nfs/dbraw/zinc/26/57/61/347265761.db2.gz MRLBNHISQDILRN-UHFFFAOYSA-N 1 2 270.332 2.228 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000603840784 347390767 /nfs/dbraw/zinc/39/07/67/347390767.db2.gz UCKKBJFFFJUWBL-NEPJUHHUSA-N 1 2 289.301 2.473 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000603840784 347390770 /nfs/dbraw/zinc/39/07/70/347390770.db2.gz UCKKBJFFFJUWBL-NEPJUHHUSA-N 1 2 289.301 2.473 20 30 CEEDLO CN(C(=O)CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000604528657 347420178 /nfs/dbraw/zinc/42/01/78/347420178.db2.gz WHDJCQIWANSMNB-UHFFFAOYSA-N 1 2 268.320 2.198 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608125963 347568696 /nfs/dbraw/zinc/56/86/96/347568696.db2.gz NSBKRSHBPFXWDF-AWEZNQCLSA-N 1 2 277.368 2.029 20 30 CEEDLO N#Cc1ccc(CC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000609623084 347647197 /nfs/dbraw/zinc/64/71/97/347647197.db2.gz KRBSCNSQUDOAOC-UHFFFAOYSA-N 1 2 276.299 2.387 20 30 CEEDLO Cc1nc(NC2CCN(c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000610276004 347668468 /nfs/dbraw/zinc/66/84/68/347668468.db2.gz VDECTDHVIBTPFS-UHFFFAOYSA-N 1 2 294.362 2.133 20 30 CEEDLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610335231 347672683 /nfs/dbraw/zinc/67/26/83/347672683.db2.gz BGBZOIOIFOARJE-QWHCGFSZSA-N 1 2 297.362 2.204 20 30 CEEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610991250 347728452 /nfs/dbraw/zinc/72/84/52/347728452.db2.gz GVGYMATWLLCPCX-LBPRGKRZSA-N 1 2 252.321 2.332 20 30 CEEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610991250 347728456 /nfs/dbraw/zinc/72/84/56/347728456.db2.gz GVGYMATWLLCPCX-LBPRGKRZSA-N 1 2 252.321 2.332 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171172 347747266 /nfs/dbraw/zinc/74/72/66/347747266.db2.gz GISYVFVYPDZASP-CQSZACIVSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171172 347747270 /nfs/dbraw/zinc/74/72/70/347747270.db2.gz GISYVFVYPDZASP-CQSZACIVSA-N 1 2 286.441 2.073 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162957 347851877 /nfs/dbraw/zinc/85/18/77/347851877.db2.gz RZCRKMJWDLSCQB-OAHLLOKOSA-N 1 2 263.385 2.037 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162957 347851879 /nfs/dbraw/zinc/85/18/79/347851879.db2.gz RZCRKMJWDLSCQB-OAHLLOKOSA-N 1 2 263.385 2.037 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000612166258 347852831 /nfs/dbraw/zinc/85/28/31/347852831.db2.gz RKQNJYQOENGGPZ-GUYCJALGSA-N 1 2 289.423 2.402 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000612166258 347852834 /nfs/dbraw/zinc/85/28/34/347852834.db2.gz RKQNJYQOENGGPZ-GUYCJALGSA-N 1 2 289.423 2.402 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612364023 347873843 /nfs/dbraw/zinc/87/38/43/347873843.db2.gz AIMBGKXSQMTUOZ-QGZVFWFLSA-N 1 2 296.374 2.497 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1nccn1CC(F)(F)F ZINC000612585016 347904546 /nfs/dbraw/zinc/90/45/46/347904546.db2.gz MPUZTWYNILGLKR-UHFFFAOYSA-N 1 2 260.263 2.085 20 30 CEEDLO CC(C)(C#N)CNCc1[nH+]ccn1CC(F)(F)F ZINC000612585016 347904548 /nfs/dbraw/zinc/90/45/48/347904548.db2.gz MPUZTWYNILGLKR-UHFFFAOYSA-N 1 2 260.263 2.085 20 30 CEEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1-n1cnnn1 ZINC000613252350 348008849 /nfs/dbraw/zinc/00/88/49/348008849.db2.gz YBJYNNBGQDCHLD-CHWSQXEVSA-N 1 2 282.351 2.465 20 30 CEEDLO C=CCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000623301333 349981285 /nfs/dbraw/zinc/98/12/85/349981285.db2.gz JKHZNTXLCSFWKQ-AWEZNQCLSA-N 1 2 297.358 2.193 20 30 CEEDLO N#Cc1cc(O)cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000614298605 348176530 /nfs/dbraw/zinc/17/65/30/348176530.db2.gz WCPPTPBUPKNGRQ-CQSZACIVSA-N 1 2 296.330 2.354 20 30 CEEDLO C=C[C@@](C)(O)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000614546813 348213337 /nfs/dbraw/zinc/21/33/37/348213337.db2.gz LMOMZHLDJUVULJ-QGZVFWFLSA-N 1 2 299.374 2.004 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1nnc2n1CCC2 ZINC000614402897 348193768 /nfs/dbraw/zinc/19/37/68/348193768.db2.gz XQPJRHUFRIILLQ-UHFFFAOYSA-N 1 2 281.363 2.036 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000614402897 348193772 /nfs/dbraw/zinc/19/37/72/348193772.db2.gz XQPJRHUFRIILLQ-UHFFFAOYSA-N 1 2 281.363 2.036 20 30 CEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)n1 ZINC000614406014 348195525 /nfs/dbraw/zinc/19/55/25/348195525.db2.gz OACJEBLGWVDSFF-JTQLQIEISA-N 1 2 256.309 2.409 20 30 CEEDLO Cc1cn2cc(NC(=O)N3CC[C@@](F)(C#N)C3)ccc2[nH+]1 ZINC000615528383 348343077 /nfs/dbraw/zinc/34/30/77/348343077.db2.gz BOICWGGNTGAHSR-CQSZACIVSA-N 1 2 287.298 2.112 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000617777197 348788848 /nfs/dbraw/zinc/78/88/48/348788848.db2.gz KGQYZXWMWMCPJS-UONOGXRCSA-N 1 2 273.380 2.260 20 30 CEEDLO C=CCCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000617618113 348751768 /nfs/dbraw/zinc/75/17/68/348751768.db2.gz CZNOVQKXCLPVGH-SECBINFHSA-N 1 2 275.274 2.148 20 30 CEEDLO C=CCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000619104025 349120325 /nfs/dbraw/zinc/12/03/25/349120325.db2.gz ILUNRAQELOFQFH-CYBMUJFWSA-N 1 2 273.380 2.451 20 30 CEEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000404096958 233193323 /nfs/dbraw/zinc/19/33/23/233193323.db2.gz WNBOYTIRRUYMMG-UHFFFAOYSA-N 1 2 276.340 2.401 20 30 CEEDLO C=C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)OC ZINC000619700338 349221290 /nfs/dbraw/zinc/22/12/90/349221290.db2.gz UHQBEHVSXWXIGH-OAHLLOKOSA-N 1 2 289.375 2.052 20 30 CEEDLO C=C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)C(=O)OC ZINC000619702233 349222431 /nfs/dbraw/zinc/22/24/31/349222431.db2.gz ABMLLMDQJFPBIB-CQSZACIVSA-N 1 2 290.338 2.177 20 30 CEEDLO C=C[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OC ZINC000619703537 349223820 /nfs/dbraw/zinc/22/38/20/349223820.db2.gz MWGBMRVSJDFNNW-BDAKNGLRSA-N 1 2 253.264 2.425 20 30 CEEDLO C=C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)C(=O)OC ZINC000619704309 349224702 /nfs/dbraw/zinc/22/47/02/349224702.db2.gz CTBZBTOLQLXIOV-HOCLYGCPSA-N 1 2 288.391 2.220 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000620305453 349338103 /nfs/dbraw/zinc/33/81/03/349338103.db2.gz GYHLRSOLNBBHAC-MELADBBJSA-N 1 2 271.364 2.155 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1ccc(C#N)s1 ZINC000339651242 215284513 /nfs/dbraw/zinc/28/45/13/215284513.db2.gz ZTFSRDNIAIDYGG-UHFFFAOYSA-N 1 2 259.290 2.276 20 30 CEEDLO C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407469 350011394 /nfs/dbraw/zinc/01/13/94/350011394.db2.gz GYIHVYWXMPUICY-MRXNPFEDSA-N 1 2 279.472 2.489 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000623422125 350016049 /nfs/dbraw/zinc/01/60/49/350016049.db2.gz KSFBANUEWOAZSG-CYBMUJFWSA-N 1 2 288.395 2.255 20 30 CEEDLO N#C[C@@H]1C[NH2+]CCN1CCC12CC3CC(CC(C3)C1)C2 ZINC000091749259 180246212 /nfs/dbraw/zinc/24/62/12/180246212.db2.gz NHUJBCOBSZCRHX-YYUOFMGYSA-N 1 2 273.424 2.390 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)o1)CC(C)C ZINC000091789744 180257465 /nfs/dbraw/zinc/25/74/65/180257465.db2.gz PVQJZRSFEXTXLB-UHFFFAOYSA-N 1 2 264.325 2.172 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)o1)CC(C)C ZINC000091789744 180257468 /nfs/dbraw/zinc/25/74/68/180257468.db2.gz PVQJZRSFEXTXLB-UHFFFAOYSA-N 1 2 264.325 2.172 20 30 CEEDLO C=CCOCCCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624398653 350279336 /nfs/dbraw/zinc/27/93/36/350279336.db2.gz OEFDULUSVMXESD-UHFFFAOYSA-N 1 2 282.347 2.309 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@@H](C)C#N)o1 ZINC000109121062 186244620 /nfs/dbraw/zinc/24/46/20/186244620.db2.gz OCJAXMOKTMXJRP-UWVGGRQHSA-N 1 2 250.298 2.219 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000109121062 186244622 /nfs/dbraw/zinc/24/46/22/186244622.db2.gz OCJAXMOKTMXJRP-UWVGGRQHSA-N 1 2 250.298 2.219 20 30 CEEDLO CCC[C@@](C)([NH2+]CCOc1ccccc1C#N)C(=O)OC ZINC000109802260 186273559 /nfs/dbraw/zinc/27/35/59/186273559.db2.gz VKHUSZWRQVPXEX-MRXNPFEDSA-N 1 2 290.363 2.258 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Br)cn1 ZINC000069938809 363014769 /nfs/dbraw/zinc/01/47/69/363014769.db2.gz UZPLWGYJCAVILX-MRVPVSSYSA-N 1 2 254.131 2.093 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122072958 187013937 /nfs/dbraw/zinc/01/39/37/187013937.db2.gz ROFFFLIBQMOHMI-NSHDSACASA-N 1 2 281.425 2.309 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122072958 187013938 /nfs/dbraw/zinc/01/39/38/187013938.db2.gz ROFFFLIBQMOHMI-NSHDSACASA-N 1 2 281.425 2.309 20 30 CEEDLO Cc1nc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1C#N ZINC000291932191 198109283 /nfs/dbraw/zinc/10/92/83/198109283.db2.gz MEXGIKYGCOIAAU-CQSZACIVSA-N 1 2 279.347 2.348 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1sccc1C#N ZINC000072590386 363147428 /nfs/dbraw/zinc/14/74/28/363147428.db2.gz QMPXAEYONAZIAV-UHFFFAOYSA-N 1 2 261.350 2.232 20 30 CEEDLO COCC[N@@H+](CCC#N)CCOc1cccc(C)c1 ZINC000072688968 363157161 /nfs/dbraw/zinc/15/71/61/363157161.db2.gz MPSTZBKUWKFUFJ-UHFFFAOYSA-N 1 2 262.353 2.236 20 30 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C=CC[N@H+](CCOC)Cc1csc(-c2cnn(C)c2)n1 ZINC000683041049 541756144 /nfs/dbraw/zinc/75/61/44/541756144.db2.gz NJVYJYRPPJPACD-UHFFFAOYSA-N 1 2 292.408 2.178 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)Cc2[nH]cc(CC)[nH+]2)C1 ZINC000636171668 369545638 /nfs/dbraw/zinc/54/56/38/369545638.db2.gz OGCODBXNHHUZHP-LBPRGKRZSA-N 1 2 261.369 2.329 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636239137 369567304 /nfs/dbraw/zinc/56/73/04/369567304.db2.gz VARFIYGANVIEHT-YVECIDJPSA-N 1 2 257.337 2.223 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636239137 369567311 /nfs/dbraw/zinc/56/73/11/369567311.db2.gz VARFIYGANVIEHT-YVECIDJPSA-N 1 2 257.337 2.223 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276294872 193275553 /nfs/dbraw/zinc/27/55/53/193275553.db2.gz NPZXGRQUTQZQSF-YDHLFZDLSA-N 1 2 291.395 2.359 20 30 CEEDLO C=CCCN(C)c1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000276358742 193299116 /nfs/dbraw/zinc/29/91/16/193299116.db2.gz VJNQOJFLXXQCOE-UHFFFAOYSA-N 1 2 288.351 2.242 20 30 CEEDLO Cc1ccc[nH+]c1CCc1noc(-c2ccc(C#N)n2C)n1 ZINC000351133249 369609795 /nfs/dbraw/zinc/60/97/95/369609795.db2.gz RGOVRUQDQYECLN-UHFFFAOYSA-N 1 2 293.330 2.435 20 30 CEEDLO C=CCCc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000351131124 369609970 /nfs/dbraw/zinc/60/99/70/369609970.db2.gz MKCOAKXDLORPRR-SNVBAGLBSA-N 1 2 253.371 2.126 20 30 CEEDLO C=CCCc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000351131124 369609973 /nfs/dbraw/zinc/60/99/73/369609973.db2.gz MKCOAKXDLORPRR-SNVBAGLBSA-N 1 2 253.371 2.126 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351148164 369612167 /nfs/dbraw/zinc/61/21/67/369612167.db2.gz SCERKMKLXURYJS-CABCVRRESA-N 1 2 282.428 2.156 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351148164 369612171 /nfs/dbraw/zinc/61/21/71/369612171.db2.gz SCERKMKLXURYJS-CABCVRRESA-N 1 2 282.428 2.156 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2ccccc2)o1 ZINC000191124820 369681983 /nfs/dbraw/zinc/68/19/83/369681983.db2.gz GQPHYNJFYOXOEB-UHFFFAOYSA-N 1 2 273.336 2.371 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2ccccc2)o1 ZINC000191124820 369681989 /nfs/dbraw/zinc/68/19/89/369681989.db2.gz GQPHYNJFYOXOEB-UHFFFAOYSA-N 1 2 273.336 2.371 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000191137412 369683444 /nfs/dbraw/zinc/68/34/44/369683444.db2.gz LPOJBXDQSGJZMK-LBPRGKRZSA-N 1 2 287.363 2.119 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000191137412 369683448 /nfs/dbraw/zinc/68/34/48/369683448.db2.gz LPOJBXDQSGJZMK-LBPRGKRZSA-N 1 2 287.363 2.119 20 30 CEEDLO C[C@H](CCc1cccc(F)c1)[NH+]1CC(O)(CC#N)C1 ZINC000191915615 369754330 /nfs/dbraw/zinc/75/43/30/369754330.db2.gz FAAUBQAVFHFKMP-GFCCVEGCSA-N 1 2 262.328 2.107 20 30 CEEDLO C[C@@H](CCc1cccc(F)c1)[NH+]1CC(O)(CC#N)C1 ZINC000191915605 369754435 /nfs/dbraw/zinc/75/44/35/369754435.db2.gz FAAUBQAVFHFKMP-LBPRGKRZSA-N 1 2 262.328 2.107 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244733 369783681 /nfs/dbraw/zinc/78/36/81/369783681.db2.gz VVZIIDSELGHUDU-UHFFFAOYSA-N 1 2 264.756 2.000 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244733 369783690 /nfs/dbraw/zinc/78/36/90/369783690.db2.gz VVZIIDSELGHUDU-UHFFFAOYSA-N 1 2 264.756 2.000 20 30 CEEDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000352842511 369908212 /nfs/dbraw/zinc/90/82/12/369908212.db2.gz OPDSQUIREVDDFD-UHFFFAOYSA-N 1 2 294.424 2.045 20 30 CEEDLO COCCN(C)c1ccc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354019254 370181252 /nfs/dbraw/zinc/18/12/52/370181252.db2.gz WFZYTAQGOAKNRJ-UHFFFAOYSA-N 1 2 290.411 2.146 20 30 CEEDLO COCCN(C)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354019254 370181256 /nfs/dbraw/zinc/18/12/56/370181256.db2.gz WFZYTAQGOAKNRJ-UHFFFAOYSA-N 1 2 290.411 2.146 20 30 CEEDLO CN(Cc1cccc(C#N)c1)c1nc[nH+]c(N)c1Cl ZINC000227847331 370386732 /nfs/dbraw/zinc/38/67/32/370386732.db2.gz TTXRWZPITJHQJS-UHFFFAOYSA-N 1 2 273.727 2.220 20 30 CEEDLO CN(Cc1cccc(C#N)c1)c1[nH+]cnc(N)c1Cl ZINC000227847331 370386737 /nfs/dbraw/zinc/38/67/37/370386737.db2.gz TTXRWZPITJHQJS-UHFFFAOYSA-N 1 2 273.727 2.220 20 30 CEEDLO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(C#N)cc1F ZINC000358560263 371116777 /nfs/dbraw/zinc/11/67/77/371116777.db2.gz QRQVPQYOVADHKK-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1C#N ZINC000248886034 371264169 /nfs/dbraw/zinc/26/41/69/371264169.db2.gz XUKSIVRDDLZKPN-JYJNAYRXSA-N 1 2 284.359 2.332 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1C#N ZINC000248886034 371264172 /nfs/dbraw/zinc/26/41/72/371264172.db2.gz XUKSIVRDDLZKPN-JYJNAYRXSA-N 1 2 284.359 2.332 20 30 CEEDLO C[C@H](C#N)CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255163126 371564112 /nfs/dbraw/zinc/56/41/12/371564112.db2.gz PPDPYTVMBGCGFU-LLPBQKLSSA-N 1 2 280.331 2.161 20 30 CEEDLO N#CCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264114638 371972218 /nfs/dbraw/zinc/97/22/18/371972218.db2.gz KRRLYMPRBAIVMU-UHFFFAOYSA-N 1 2 255.321 2.315 20 30 CEEDLO C[C@H](c1ccccn1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000267407370 372072870 /nfs/dbraw/zinc/07/28/70/372072870.db2.gz QYHIOGGOPPKPMZ-CQSZACIVSA-N 1 2 293.374 2.231 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+](CCO)Cc1cccnc1 ZINC000362288393 372299570 /nfs/dbraw/zinc/29/95/70/372299570.db2.gz XEGUUXHFZAKPLI-UHFFFAOYSA-N 1 2 285.322 2.087 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000362288393 372299574 /nfs/dbraw/zinc/29/95/74/372299574.db2.gz XEGUUXHFZAKPLI-UHFFFAOYSA-N 1 2 285.322 2.087 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCc2ccccc2CC)nn1 ZINC000641142073 372341447 /nfs/dbraw/zinc/34/14/47/372341447.db2.gz WCDFDZPYZPSMQD-UHFFFAOYSA-N 1 2 282.391 2.196 20 30 CEEDLO C=CCCC[C@@H](C)n1cc(C[N@@H+](C)CCOC)nn1 ZINC000641235018 372401984 /nfs/dbraw/zinc/40/19/84/372401984.db2.gz LQDGLUXTHKUGHB-CYBMUJFWSA-N 1 2 266.389 2.274 20 30 CEEDLO C=CCCC[C@@H](C)n1cc(C[N@H+](C)CCOC)nn1 ZINC000641235018 372401991 /nfs/dbraw/zinc/40/19/91/372401991.db2.gz LQDGLUXTHKUGHB-CYBMUJFWSA-N 1 2 266.389 2.274 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000574417924 335018561 /nfs/dbraw/zinc/01/85/61/335018561.db2.gz KULMQVDURVYBEI-INIZCTEOSA-N 1 2 294.439 2.302 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000574417924 335018562 /nfs/dbraw/zinc/01/85/62/335018562.db2.gz KULMQVDURVYBEI-INIZCTEOSA-N 1 2 294.439 2.302 20 30 CEEDLO Cn1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000271035686 373081513 /nfs/dbraw/zinc/08/15/13/373081513.db2.gz FRDCCYVBNUWCLP-UHFFFAOYSA-N 1 2 266.348 2.456 20 30 CEEDLO Cn1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000271035686 373081515 /nfs/dbraw/zinc/08/15/15/373081515.db2.gz FRDCCYVBNUWCLP-UHFFFAOYSA-N 1 2 266.348 2.456 20 30 CEEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(C#N)o1)C[C@H](C)O2 ZINC000366770417 373122391 /nfs/dbraw/zinc/12/23/91/373122391.db2.gz QFQQDCAWVWFKOZ-WWGRRREGSA-N 1 2 290.363 2.310 20 30 CEEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(C#N)o1)C[C@H](C)O2 ZINC000366770417 373122403 /nfs/dbraw/zinc/12/24/03/373122403.db2.gz 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/nfs/dbraw/zinc/52/83/04/373528304.db2.gz OCELSPLRKAGWGH-BBRMVZONSA-N 1 2 290.363 2.311 20 30 CEEDLO N#Cc1ccc(NC2CC[NH+](Cc3cscn3)CC2)cn1 ZINC000370205881 373603537 /nfs/dbraw/zinc/60/35/37/373603537.db2.gz GTDAXZKOWDLHNM-UHFFFAOYSA-N 1 2 299.403 2.486 20 30 CEEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CC#CCOC ZINC000645134939 373869813 /nfs/dbraw/zinc/86/98/13/373869813.db2.gz WRHADKLMPHUJLN-AWEZNQCLSA-N 1 2 261.369 2.080 20 30 CEEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CC#CCOC ZINC000645134939 373869818 /nfs/dbraw/zinc/86/98/18/373869818.db2.gz WRHADKLMPHUJLN-AWEZNQCLSA-N 1 2 261.369 2.080 20 30 CEEDLO C[C@@H]1C[C@H](C)CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330252791 297348172 /nfs/dbraw/zinc/34/81/72/297348172.db2.gz AIMNJUDJJBAERO-MGPQQGTHSA-N 1 2 290.411 2.480 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)o1 ZINC000372415470 374124588 /nfs/dbraw/zinc/12/45/88/374124588.db2.gz GXYDYLDEIQAPCA-OAHLLOKOSA-N 1 2 287.363 2.128 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)o1 ZINC000372415470 374124595 /nfs/dbraw/zinc/12/45/95/374124595.db2.gz GXYDYLDEIQAPCA-OAHLLOKOSA-N 1 2 287.363 2.128 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2scc(C)c2Cl)CC1 ZINC000276660503 374255298 /nfs/dbraw/zinc/25/52/98/374255298.db2.gz WTZRVULFSKISKB-UHFFFAOYSA-N 1 2 296.823 2.491 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](C2CC2)O1 ZINC000373476121 374360082 /nfs/dbraw/zinc/36/00/82/374360082.db2.gz VAKRJJGCLGANGC-BLLLJJGKSA-N 1 2 296.374 2.205 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](C2CC2)O1 ZINC000373476121 374360089 /nfs/dbraw/zinc/36/00/89/374360089.db2.gz VAKRJJGCLGANGC-BLLLJJGKSA-N 1 2 296.374 2.205 20 30 CEEDLO Cn1cc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1C#N ZINC000373627897 374394210 /nfs/dbraw/zinc/39/42/10/374394210.db2.gz YYSBPUAEFAJZQW-ZDUSSCGKSA-N 1 2 289.285 2.398 20 30 CEEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000374243785 374520426 /nfs/dbraw/zinc/52/04/26/374520426.db2.gz PREAZLXXUGSXSF-UHFFFAOYSA-N 1 2 293.392 2.059 20 30 CEEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000374243785 374520434 /nfs/dbraw/zinc/52/04/34/374520434.db2.gz PREAZLXXUGSXSF-UHFFFAOYSA-N 1 2 293.392 2.059 20 30 CEEDLO CN(C)c1noc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)n1 ZINC000374535002 374592431 /nfs/dbraw/zinc/59/24/31/374592431.db2.gz GAWSEZYBNLZTPQ-OAHLLOKOSA-N 1 2 296.374 2.324 20 30 CEEDLO CN(C)c1noc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)n1 ZINC000374535002 374592439 /nfs/dbraw/zinc/59/24/39/374592439.db2.gz GAWSEZYBNLZTPQ-OAHLLOKOSA-N 1 2 296.374 2.324 20 30 CEEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccccc1C#N)C[C@@H](C)O2 ZINC000279659501 374946221 /nfs/dbraw/zinc/94/62/21/374946221.db2.gz CLWSMHSROFNQBX-KEYYUXOJSA-N 1 2 286.375 2.327 20 30 CEEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccccc1C#N)C[C@@H](C)O2 ZINC000279659501 374946225 /nfs/dbraw/zinc/94/62/25/374946225.db2.gz CLWSMHSROFNQBX-KEYYUXOJSA-N 1 2 286.375 2.327 20 30 CEEDLO N#Cc1ccnc(NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000378023506 375002776 /nfs/dbraw/zinc/00/27/76/375002776.db2.gz LVBHMRJCCDSVNH-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000280485728 375216301 /nfs/dbraw/zinc/21/63/01/375216301.db2.gz LTQNKQYQTWPJBH-WMLDXEAASA-N 1 2 289.350 2.057 20 30 CEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000280485728 375216309 /nfs/dbraw/zinc/21/63/09/375216309.db2.gz LTQNKQYQTWPJBH-WMLDXEAASA-N 1 2 289.350 2.057 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000281245125 375365802 /nfs/dbraw/zinc/36/58/02/375365802.db2.gz FPZIUGAETDOTLM-SWLSCSKDSA-N 1 2 285.347 2.045 20 30 CEEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1C#N ZINC000282139822 375413416 /nfs/dbraw/zinc/41/34/16/375413416.db2.gz CAUQXJIMRRTIDD-LBPRGKRZSA-N 1 2 290.363 2.339 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)ccc1C#N ZINC000282139822 375413422 /nfs/dbraw/zinc/41/34/22/375413422.db2.gz CAUQXJIMRRTIDD-LBPRGKRZSA-N 1 2 290.363 2.339 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)ccc1C#N ZINC000558169149 376596254 /nfs/dbraw/zinc/59/62/54/376596254.db2.gz CMSKSGHDCUXRNT-CQSZACIVSA-N 1 2 297.362 2.070 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)ccc1C#N ZINC000558169149 376596257 /nfs/dbraw/zinc/59/62/57/376596257.db2.gz CMSKSGHDCUXRNT-CQSZACIVSA-N 1 2 297.362 2.070 20 30 CEEDLO C[C@H]1C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)CCCO1 ZINC000328801870 376902241 /nfs/dbraw/zinc/90/22/41/376902241.db2.gz AMRPCYIEUHJBKA-JTQLQIEISA-N 1 2 295.408 2.331 20 30 CEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)CCCO1 ZINC000328801870 376902243 /nfs/dbraw/zinc/90/22/43/376902243.db2.gz AMRPCYIEUHJBKA-JTQLQIEISA-N 1 2 295.408 2.331 20 30 CEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000328897535 376918011 /nfs/dbraw/zinc/91/80/11/376918011.db2.gz XLLIACBGFTZQPT-GWCFXTLKSA-N 1 2 294.399 2.124 20 30 CEEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000328897535 376918015 /nfs/dbraw/zinc/91/80/15/376918015.db2.gz XLLIACBGFTZQPT-GWCFXTLKSA-N 1 2 294.399 2.124 20 30 CEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)CCCO1 ZINC000328895045 376918363 /nfs/dbraw/zinc/91/83/63/376918363.db2.gz VYRJWBSZDMWYRX-NSHDSACASA-N 1 2 292.335 2.114 20 30 CEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)CCCO1 ZINC000328895045 376918370 /nfs/dbraw/zinc/91/83/70/376918370.db2.gz VYRJWBSZDMWYRX-NSHDSACASA-N 1 2 292.335 2.114 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000562632045 376949563 /nfs/dbraw/zinc/94/95/63/376949563.db2.gz VEGKIOVJJJLBMW-CABCVRRESA-N 1 2 299.374 2.035 20 30 CEEDLO COc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC000563217166 377130489 /nfs/dbraw/zinc/13/04/89/377130489.db2.gz IFOGNBLKEFGMAH-LBPRGKRZSA-N 1 2 298.346 2.031 20 30 CEEDLO Cc1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1Cl ZINC000563220640 377133591 /nfs/dbraw/zinc/13/35/91/377133591.db2.gz TVZJKDLSIZBBNU-OAHLLOKOSA-N 1 2 293.798 2.151 20 30 CEEDLO Cc1cc(N2CC[C@H](OCc3ccccn3)C2)c(C#N)c[nH+]1 ZINC000574314312 299484857 /nfs/dbraw/zinc/48/48/57/299484857.db2.gz NIEWPMWIFLJMIN-INIZCTEOSA-N 1 2 294.358 2.452 20 30 CEEDLO COC(=O)[C@@H]1C[N@H+](CCC#N)C[C@H]1c1ccc(F)cc1F ZINC000425511671 377355735 /nfs/dbraw/zinc/35/57/35/377355735.db2.gz OVJSSDQDMVQQNK-QWHCGFSZSA-N 1 2 294.301 2.067 20 30 CEEDLO COC(=O)[C@@H]1C[N@@H+](CCC#N)C[C@H]1c1ccc(F)cc1F ZINC000425511671 377355741 /nfs/dbraw/zinc/35/57/41/377355741.db2.gz OVJSSDQDMVQQNK-QWHCGFSZSA-N 1 2 294.301 2.067 20 30 CEEDLO Cc1ccc2[nH]c(C[NH2+]C[C@H](C#N)CCC#N)nc2c1 ZINC000564720058 377439115 /nfs/dbraw/zinc/43/91/15/377439115.db2.gz NLAKLOMNUBQTJD-LBPRGKRZSA-N 1 2 267.336 2.404 20 30 CEEDLO Cc1ccc2nc(C[NH2+]C[C@H](C#N)CCC#N)[nH]c2c1 ZINC000564720058 377439124 /nfs/dbraw/zinc/43/91/24/377439124.db2.gz NLAKLOMNUBQTJD-LBPRGKRZSA-N 1 2 267.336 2.404 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C)nc1C(=O)OCC ZINC000426580436 377419119 /nfs/dbraw/zinc/41/91/19/377419119.db2.gz QWNCNPVSXBHGNH-ZDUSSCGKSA-N 1 2 277.368 2.137 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1C(=O)OCC ZINC000426580436 377419127 /nfs/dbraw/zinc/41/91/27/377419127.db2.gz QWNCNPVSXBHGNH-ZDUSSCGKSA-N 1 2 277.368 2.137 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000293218876 377478464 /nfs/dbraw/zinc/47/84/64/377478464.db2.gz ROZXIPGYRIEYHO-UHFFFAOYSA-N 1 2 276.355 2.129 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000293218876 377478474 /nfs/dbraw/zinc/47/84/74/377478474.db2.gz ROZXIPGYRIEYHO-UHFFFAOYSA-N 1 2 276.355 2.129 20 30 CEEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000565049075 377544824 /nfs/dbraw/zinc/54/48/24/377544824.db2.gz YJYVYUKJKUZEKJ-SMDDNHRTSA-N 1 2 262.357 2.279 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000565316274 377642039 /nfs/dbraw/zinc/64/20/39/377642039.db2.gz ZYHWMCMKUSVFOL-HNNXBMFYSA-N 1 2 285.391 2.272 20 30 CEEDLO C=CCN(CCOC)c1[nH+]c2ccc(F)cc2n1C ZINC000431426484 377643559 /nfs/dbraw/zinc/64/35/59/377643559.db2.gz HJQATAPJWPROJF-UHFFFAOYSA-N 1 2 263.316 2.351 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C/C=C\c1cccc(F)c1 ZINC000565604180 377680503 /nfs/dbraw/zinc/68/05/03/377680503.db2.gz PMVIRHJXRYBIHM-WRLNGNIRSA-N 1 2 289.354 2.189 20 30 CEEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433298643 377783658 /nfs/dbraw/zinc/78/36/58/377783658.db2.gz APJPSSCWWQOWSC-STQMWFEESA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433298643 377783661 /nfs/dbraw/zinc/78/36/61/377783661.db2.gz APJPSSCWWQOWSC-STQMWFEESA-N 1 2 265.401 2.163 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000432354597 377750990 /nfs/dbraw/zinc/75/09/90/377750990.db2.gz YQILOYWAEWCRTC-LBPRGKRZSA-N 1 2 276.384 2.099 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000440666185 377931836 /nfs/dbraw/zinc/93/18/36/377931836.db2.gz CFZMKUYYJZECGC-LBPRGKRZSA-N 1 2 255.321 2.194 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000440666185 377931839 /nfs/dbraw/zinc/93/18/39/377931839.db2.gz CFZMKUYYJZECGC-LBPRGKRZSA-N 1 2 255.321 2.194 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1Cl ZINC000294725803 378015717 /nfs/dbraw/zinc/01/57/17/378015717.db2.gz FYFQXKNJJRSZTN-CYBMUJFWSA-N 1 2 297.782 2.098 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1Cl ZINC000294725803 378015721 /nfs/dbraw/zinc/01/57/21/378015721.db2.gz FYFQXKNJJRSZTN-CYBMUJFWSA-N 1 2 297.782 2.098 20 30 CEEDLO C#CCCOc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000294826820 378022407 /nfs/dbraw/zinc/02/24/07/378022407.db2.gz PQBAZTSBTRYZRZ-UHFFFAOYSA-N 1 2 296.374 2.374 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447839333 378148417 /nfs/dbraw/zinc/14/84/17/378148417.db2.gz JLEKJKNKEPJUOP-AWEZNQCLSA-N 1 2 282.428 2.158 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447839333 378148424 /nfs/dbraw/zinc/14/84/24/378148424.db2.gz JLEKJKNKEPJUOP-AWEZNQCLSA-N 1 2 282.428 2.158 20 30 CEEDLO Cc1cc[nH+]c(N2CCN(CC3(C#N)CCC3)CC2)c1 ZINC000450499576 378452961 /nfs/dbraw/zinc/45/29/61/378452961.db2.gz JALYSXPCABBBKT-UHFFFAOYSA-N 1 2 270.380 2.206 20 30 CEEDLO C=C(Cl)CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296251924 378467003 /nfs/dbraw/zinc/46/70/03/378467003.db2.gz CIXSALANHFMODY-SNVBAGLBSA-N 1 2 282.775 2.265 20 30 CEEDLO C#CC[C@H](NC(=O)NCc1[nH+]ccn1CC)c1ccccc1 ZINC000296416882 378523771 /nfs/dbraw/zinc/52/37/71/378523771.db2.gz IAHHICKZWSIHMW-HNNXBMFYSA-N 1 2 296.374 2.467 20 30 CEEDLO C[C@H](CNc1c(C#N)cnc2ccccc21)[NH+]1CCOCC1 ZINC000266117069 190231812 /nfs/dbraw/zinc/23/18/12/190231812.db2.gz VIAUVPZQDLZRTC-CYBMUJFWSA-N 1 2 296.374 2.239 20 30 CEEDLO CC[C@H]1C[N@H+](CC2(C#N)CCC2)CCN1CC(F)F ZINC000450635339 378512182 /nfs/dbraw/zinc/51/21/82/378512182.db2.gz BBNYKOINWMHDMF-LBPRGKRZSA-N 1 2 271.355 2.342 20 30 CEEDLO CC[C@H]1C[N@@H+](CC2(C#N)CCC2)CCN1CC(F)F ZINC000450635339 378512189 /nfs/dbraw/zinc/51/21/89/378512189.db2.gz BBNYKOINWMHDMF-LBPRGKRZSA-N 1 2 271.355 2.342 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000450726030 378549888 /nfs/dbraw/zinc/54/98/88/378549888.db2.gz TYPLZEUYQJOKQL-GFCCVEGCSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000450726030 378549894 /nfs/dbraw/zinc/54/98/94/378549894.db2.gz TYPLZEUYQJOKQL-GFCCVEGCSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000450731630 378552239 /nfs/dbraw/zinc/55/22/39/378552239.db2.gz ZLMPRMAYYWCSEB-CYBMUJFWSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000450731630 378552241 /nfs/dbraw/zinc/55/22/41/378552241.db2.gz ZLMPRMAYYWCSEB-CYBMUJFWSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCc1[nH+]ccn1CC ZINC000296765278 378640339 /nfs/dbraw/zinc/64/03/39/378640339.db2.gz HDHHAHUSBCTHOH-NSHDSACASA-N 1 2 250.346 2.057 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000347005014 218088647 /nfs/dbraw/zinc/08/86/47/218088647.db2.gz KZSIAZHAWOUACF-RNCFNFMXSA-N 1 2 295.180 2.133 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000347005014 218088648 /nfs/dbraw/zinc/08/86/48/218088648.db2.gz KZSIAZHAWOUACF-RNCFNFMXSA-N 1 2 295.180 2.133 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516489757 379284786 /nfs/dbraw/zinc/28/47/86/379284786.db2.gz GFDGWGJTXQLSLV-CYBMUJFWSA-N 1 2 287.363 2.439 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516489757 379284792 /nfs/dbraw/zinc/28/47/92/379284792.db2.gz GFDGWGJTXQLSLV-CYBMUJFWSA-N 1 2 287.363 2.439 20 30 CEEDLO N#Cc1ccc(N2CCCN(c3cccc[nH+]3)CC2)cn1 ZINC000302217556 379332670 /nfs/dbraw/zinc/33/26/70/379332670.db2.gz KGAYKABRCTXJJV-UHFFFAOYSA-N 1 2 279.347 2.065 20 30 CEEDLO Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)nc1C#N ZINC000302634154 379410706 /nfs/dbraw/zinc/41/07/06/379410706.db2.gz JXQINHUFQLIGAF-UHFFFAOYSA-N 1 2 267.336 2.300 20 30 CEEDLO C[C@H]1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C[C@@H](C)C1 ZINC000519409005 379415821 /nfs/dbraw/zinc/41/58/21/379415821.db2.gz QAYAYACJZWTZEB-UKTARXLSSA-N 1 2 265.401 2.019 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(F)cc1Cl ZINC000266958185 190293398 /nfs/dbraw/zinc/29/33/98/190293398.db2.gz WAPDYUKCAFTMDU-UHFFFAOYSA-N 1 2 268.719 2.373 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(F)cc1Cl ZINC000266958185 190293399 /nfs/dbraw/zinc/29/33/99/190293399.db2.gz WAPDYUKCAFTMDU-UHFFFAOYSA-N 1 2 268.719 2.373 20 30 CEEDLO CCOC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000528722780 380064333 /nfs/dbraw/zinc/06/43/33/380064333.db2.gz IMGSFDPYHCXSMD-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO CCOC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000528722780 380064339 /nfs/dbraw/zinc/06/43/39/380064339.db2.gz IMGSFDPYHCXSMD-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](COCC)C2)cc1 ZINC000529661540 380182015 /nfs/dbraw/zinc/18/20/15/380182015.db2.gz JFCHSTAQVDXCSJ-KRWDZBQOSA-N 1 2 291.391 2.489 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](COCC)C2)cc1 ZINC000529661540 380182022 /nfs/dbraw/zinc/18/20/22/380182022.db2.gz JFCHSTAQVDXCSJ-KRWDZBQOSA-N 1 2 291.391 2.489 20 30 CEEDLO N#CC1(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000334186462 380250391 /nfs/dbraw/zinc/25/03/91/380250391.db2.gz FOBLYIMPIQKYPC-KRWDZBQOSA-N 1 2 268.360 2.464 20 30 CEEDLO N#CC1(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000334186462 380250398 /nfs/dbraw/zinc/25/03/98/380250398.db2.gz FOBLYIMPIQKYPC-KRWDZBQOSA-N 1 2 268.360 2.464 20 30 CEEDLO C[C@H](C#N)CNCc1[nH+]ccn1Cc1ccccc1 ZINC000543624351 380333016 /nfs/dbraw/zinc/33/30/16/380333016.db2.gz WLJOMETUFHEXMA-CYBMUJFWSA-N 1 2 254.337 2.181 20 30 CEEDLO Cc1cccn2cc(Cc3noc(C(C)(C)C#N)n3)[nH+]c12 ZINC000545684379 380389328 /nfs/dbraw/zinc/38/93/28/380389328.db2.gz SVTZDXBYSWRPPU-UHFFFAOYSA-N 1 2 281.319 2.418 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000491646988 380340507 /nfs/dbraw/zinc/34/05/07/380340507.db2.gz VOLODLKVAPIGPY-LLVKDONJSA-N 1 2 266.304 2.062 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000491646988 380340512 /nfs/dbraw/zinc/34/05/12/380340512.db2.gz VOLODLKVAPIGPY-LLVKDONJSA-N 1 2 266.304 2.062 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccccc1Cl ZINC000492978019 380750084 /nfs/dbraw/zinc/75/00/84/380750084.db2.gz BXFFYGOTRHQAAG-HVHJFMEUSA-N 1 2 291.782 2.313 20 30 CEEDLO Cn1c2ccccc2nc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000554452447 380770604 /nfs/dbraw/zinc/77/06/04/380770604.db2.gz PWQZYBGJDBGTAU-GFCCVEGCSA-N 1 2 267.336 2.106 20 30 CEEDLO CCOc1c(Cl)cccc1C[NH+]1CCN(CC#N)CC1 ZINC000494955594 381163129 /nfs/dbraw/zinc/16/31/29/381163129.db2.gz SRVRTMJVBYBPIN-UHFFFAOYSA-N 1 2 293.798 2.380 20 30 CEEDLO COC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000330012215 532956862 /nfs/dbraw/zinc/95/68/62/532956862.db2.gz KFGCVWJDBMMEFR-GJZGRUSLSA-N 1 2 296.411 2.011 20 30 CEEDLO COC[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000330012215 532956868 /nfs/dbraw/zinc/95/68/68/532956868.db2.gz KFGCVWJDBMMEFR-GJZGRUSLSA-N 1 2 296.411 2.011 20 30 CEEDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000280980556 195056075 /nfs/dbraw/zinc/05/60/75/195056075.db2.gz UIVZUBKEGHEROV-LBPRGKRZSA-N 1 2 282.347 2.102 20 30 CEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1cc(C#N)ccn1 ZINC000288087850 197001374 /nfs/dbraw/zinc/00/13/74/197001374.db2.gz WEXLUPPUMNTDBM-UHFFFAOYSA-N 1 2 295.268 2.348 20 30 CEEDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)s1 ZINC000191679293 130277189 /nfs/dbraw/zinc/27/71/89/130277189.db2.gz QNPXONUCWXOGON-DDTOSNHZSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)s1 ZINC000191679293 130277192 /nfs/dbraw/zinc/27/71/92/130277192.db2.gz QNPXONUCWXOGON-DDTOSNHZSA-N 1 2 290.388 2.393 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000245874924 131090252 /nfs/dbraw/zinc/09/02/52/131090252.db2.gz HHMDPIOQYWTGJC-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000245874924 131090253 /nfs/dbraw/zinc/09/02/53/131090253.db2.gz HHMDPIOQYWTGJC-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO O=C(NCCc1cscn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328961157 394557825 /nfs/dbraw/zinc/55/78/25/394557825.db2.gz PXXKRGGWBVBBOB-SNVBAGLBSA-N 1 2 276.365 2.101 20 30 CEEDLO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)O1 ZINC000328958235 394558147 /nfs/dbraw/zinc/55/81/47/394558147.db2.gz POXMJUJVEHBACQ-GIPNMCIBSA-N 1 2 263.341 2.181 20 30 CEEDLO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)O1 ZINC000328958235 394558149 /nfs/dbraw/zinc/55/81/49/394558149.db2.gz POXMJUJVEHBACQ-GIPNMCIBSA-N 1 2 263.341 2.181 20 30 CEEDLO CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329039868 394560410 /nfs/dbraw/zinc/56/04/10/394560410.db2.gz HWARRUKWXYALRT-JTQLQIEISA-N 1 2 287.367 2.223 20 30 CEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1Cc2ccccc2CO1 ZINC000329534478 394570534 /nfs/dbraw/zinc/57/05/34/394570534.db2.gz KWIKIYLEIZIDLL-CQSZACIVSA-N 1 2 298.346 2.059 20 30 CEEDLO N#CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000049751453 394551576 /nfs/dbraw/zinc/55/15/76/394551576.db2.gz LDCNBZYJEYHAPV-NSHDSACASA-N 1 2 292.770 2.299 20 30 CEEDLO N#CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000049751453 394551580 /nfs/dbraw/zinc/55/15/80/394551580.db2.gz LDCNBZYJEYHAPV-NSHDSACASA-N 1 2 292.770 2.299 20 30 CEEDLO O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328918630 394556286 /nfs/dbraw/zinc/55/62/86/394556286.db2.gz LFCGNOCGXJFLEM-KGLIPLIRSA-N 1 2 297.358 2.406 20 30 CEEDLO CC(C)[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330183758 394599716 /nfs/dbraw/zinc/59/97/16/394599716.db2.gz ICQVECOYXDKQHN-STQMWFEESA-N 1 2 276.384 2.232 20 30 CEEDLO CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330183758 394599718 /nfs/dbraw/zinc/59/97/18/394599718.db2.gz ICQVECOYXDKQHN-STQMWFEESA-N 1 2 276.384 2.232 20 30 CEEDLO CC(C)C[C@@H](CNC(=O)c1cncs1)[NH+]1CCOCC1 ZINC000330499539 394615948 /nfs/dbraw/zinc/61/59/48/394615948.db2.gz JJQUTNOAUWYHDZ-LBPRGKRZSA-N 1 2 297.424 2.195 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000330514737 394616481 /nfs/dbraw/zinc/61/64/81/394616481.db2.gz DPEVQFDOBUFCGP-UHFFFAOYSA-N 1 2 288.355 2.034 20 30 CEEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000334251892 394669257 /nfs/dbraw/zinc/66/92/57/394669257.db2.gz BJOMDVSKWIDRBU-ZIAGYGMSSA-N 1 2 277.412 2.307 20 30 CEEDLO C=CCCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000333613992 394649466 /nfs/dbraw/zinc/64/94/66/394649466.db2.gz HGVLLZKATCCCNT-VXGBXAGGSA-N 1 2 263.341 2.114 20 30 CEEDLO C=CCCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000333613992 394649469 /nfs/dbraw/zinc/64/94/69/394649469.db2.gz HGVLLZKATCCCNT-VXGBXAGGSA-N 1 2 263.341 2.114 20 30 CEEDLO Cc1noc(CCC[N@H+](CCC#N)Cc2ccccn2)n1 ZINC000268627530 394696778 /nfs/dbraw/zinc/69/67/78/394696778.db2.gz CZUFGLBCRMGUPC-UHFFFAOYSA-N 1 2 285.351 2.122 20 30 CEEDLO Cc1noc(CCC[N@@H+](CCC#N)Cc2ccccn2)n1 ZINC000268627530 394696780 /nfs/dbraw/zinc/69/67/80/394696780.db2.gz CZUFGLBCRMGUPC-UHFFFAOYSA-N 1 2 285.351 2.122 20 30 CEEDLO C=CCN(CCC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000359395160 394750929 /nfs/dbraw/zinc/75/09/29/394750929.db2.gz UHJKSGZYKPIPAM-UHFFFAOYSA-N 1 2 294.358 2.473 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000335698193 394790085 /nfs/dbraw/zinc/79/00/85/394790085.db2.gz KOZWYTZRARKRPZ-HOTGVXAUSA-N 1 2 259.324 2.431 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000335698193 394790092 /nfs/dbraw/zinc/79/00/92/394790092.db2.gz KOZWYTZRARKRPZ-HOTGVXAUSA-N 1 2 259.324 2.431 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC[C@H]1C1CC1)C(=O)OC ZINC000361114317 394817163 /nfs/dbraw/zinc/81/71/63/394817163.db2.gz RMWCAORXOZCAPM-KKUMJFAQSA-N 1 2 281.396 2.289 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000336253187 394837184 /nfs/dbraw/zinc/83/71/84/394837184.db2.gz XPNSUTHYWKNYQM-CYBMUJFWSA-N 1 2 280.331 2.264 20 30 CEEDLO Cc1cc(N2CCO[C@H](C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000124949479 394841269 /nfs/dbraw/zinc/84/12/69/394841269.db2.gz ABTHNIIJQMCWPS-GFCCVEGCSA-N 1 2 271.295 2.411 20 30 CEEDLO C=CCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000362329996 394853655 /nfs/dbraw/zinc/85/36/55/394853655.db2.gz LLPWJXZNSLTOOC-GFCCVEGCSA-N 1 2 262.357 2.326 20 30 CEEDLO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000362378833 394858202 /nfs/dbraw/zinc/85/82/02/394858202.db2.gz HFMAYQLSGPLHJJ-ZIAGYGMSSA-N 1 2 288.395 2.044 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)OCC ZINC000285156733 394954173 /nfs/dbraw/zinc/95/41/73/394954173.db2.gz PRYXKYPIABVKHP-ZFWWWQNUSA-N 1 2 259.349 2.162 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C[C@H](C)C#N)C2CC2)oc1C ZINC000338360124 394916280 /nfs/dbraw/zinc/91/62/80/394916280.db2.gz PDGNZTYWNRPBQM-SNVBAGLBSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)oc1C ZINC000338360124 394916282 /nfs/dbraw/zinc/91/62/82/394916282.db2.gz PDGNZTYWNRPBQM-SNVBAGLBSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)oc1C ZINC000338360120 394916531 /nfs/dbraw/zinc/91/65/31/394916531.db2.gz PDGNZTYWNRPBQM-JTQLQIEISA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)oc1C ZINC000338360120 394916537 /nfs/dbraw/zinc/91/65/37/394916537.db2.gz PDGNZTYWNRPBQM-JTQLQIEISA-N 1 2 276.336 2.499 20 30 CEEDLO C#CCN(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000282883004 394926133 /nfs/dbraw/zinc/92/61/33/394926133.db2.gz CXFIZQOOIZPOHV-UHFFFAOYSA-N 1 2 292.408 2.226 20 30 CEEDLO CC#CC[N@@H+]1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000366378876 394943716 /nfs/dbraw/zinc/94/37/16/394943716.db2.gz PAHCVDMNDVRBMF-CQSZACIVSA-N 1 2 254.333 2.341 20 30 CEEDLO CC#CC[N@H+]1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000366378876 394943720 /nfs/dbraw/zinc/94/37/20/394943720.db2.gz PAHCVDMNDVRBMF-CQSZACIVSA-N 1 2 254.333 2.341 20 30 CEEDLO C=C(C)CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000154250855 395021645 /nfs/dbraw/zinc/02/16/45/395021645.db2.gz QXQVNDXSZPPEFC-UHFFFAOYSA-N 1 2 257.337 2.427 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](C)[C@H](C)O1 ZINC000342799192 395022449 /nfs/dbraw/zinc/02/24/49/395022449.db2.gz IMNJVRUCOFUGIT-AGIUHOORSA-N 1 2 284.363 2.204 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](C)[C@H](C)O1 ZINC000342799192 395022454 /nfs/dbraw/zinc/02/24/54/395022454.db2.gz IMNJVRUCOFUGIT-AGIUHOORSA-N 1 2 284.363 2.204 20 30 CEEDLO C=CCOc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC000285753519 394963156 /nfs/dbraw/zinc/96/31/56/394963156.db2.gz AXRQISNBXKJAED-UHFFFAOYSA-N 1 2 299.374 2.234 20 30 CEEDLO Cc1cc(NCc2cn(C)nc2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425230099 395053520 /nfs/dbraw/zinc/05/35/20/395053520.db2.gz CLRSHWLDDNXDLG-UHFFFAOYSA-N 1 2 295.268 2.048 20 30 CEEDLO Cc1cc(NC[C@@H](O)CCc2ccccc2)c(C#N)c[nH+]1 ZINC000425245042 395054106 /nfs/dbraw/zinc/05/41/06/395054106.db2.gz IJNKGRREEYPVKW-INIZCTEOSA-N 1 2 281.359 2.089 20 30 CEEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000289171503 395071869 /nfs/dbraw/zinc/07/18/69/395071869.db2.gz RWCZXZGVVPZXKW-UHFFFAOYSA-N 1 2 284.403 2.358 20 30 CEEDLO C#Cc1ccc(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000289211360 395072665 /nfs/dbraw/zinc/07/26/65/395072665.db2.gz IPFGUZLZVDCUEK-LBPRGKRZSA-N 1 2 285.347 2.390 20 30 CEEDLO C#Cc1ccc(C[N@H+](C)Cc2nc([C@H](C)OC)no2)cc1 ZINC000289211360 395072667 /nfs/dbraw/zinc/07/26/67/395072667.db2.gz IPFGUZLZVDCUEK-LBPRGKRZSA-N 1 2 285.347 2.390 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(Cl)c1 ZINC000162928154 395079085 /nfs/dbraw/zinc/07/90/85/395079085.db2.gz KJJBFIXOBKGVFE-CYBMUJFWSA-N 1 2 289.766 2.018 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(Cl)c1 ZINC000162928154 395079087 /nfs/dbraw/zinc/07/90/87/395079087.db2.gz KJJBFIXOBKGVFE-CYBMUJFWSA-N 1 2 289.766 2.018 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)C(C)C)c1 ZINC000289834940 395088720 /nfs/dbraw/zinc/08/87/20/395088720.db2.gz ATANXKJAHMIUGZ-UHFFFAOYSA-N 1 2 286.375 2.153 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)C(C)C)c1 ZINC000289834940 395088726 /nfs/dbraw/zinc/08/87/26/395088726.db2.gz ATANXKJAHMIUGZ-UHFFFAOYSA-N 1 2 286.375 2.153 20 30 CEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000346281700 395093893 /nfs/dbraw/zinc/09/38/93/395093893.db2.gz LQYQECGSNUGMER-INIZCTEOSA-N 1 2 297.402 2.066 20 30 CEEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000372234558 395037293 /nfs/dbraw/zinc/03/72/93/395037293.db2.gz WQTFEHWWMJZERJ-CQSZACIVSA-N 1 2 251.276 2.361 20 30 CEEDLO C#CCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000372234558 395037298 /nfs/dbraw/zinc/03/72/98/395037298.db2.gz WQTFEHWWMJZERJ-CQSZACIVSA-N 1 2 251.276 2.361 20 30 CEEDLO Cc1nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)cs1 ZINC000174221576 395121450 /nfs/dbraw/zinc/12/14/50/395121450.db2.gz SOFBUOZJJDIVNT-SECBINFHSA-N 1 2 271.386 2.301 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000376013733 395106924 /nfs/dbraw/zinc/10/69/24/395106924.db2.gz JVZZRBONTPZYQR-OLZOCXBDSA-N 1 2 259.777 2.399 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000376013733 395106926 /nfs/dbraw/zinc/10/69/26/395106926.db2.gz JVZZRBONTPZYQR-OLZOCXBDSA-N 1 2 259.777 2.399 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000376007349 395107084 /nfs/dbraw/zinc/10/70/84/395107084.db2.gz NBTPRLZRJSMLJL-NWDGAFQWSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000376007349 395107085 /nfs/dbraw/zinc/10/70/85/395107085.db2.gz NBTPRLZRJSMLJL-NWDGAFQWSA-N 1 2 290.201 2.165 20 30 CEEDLO COc1cc[nH+]cc1CNc1nc(C)ccc1C#N ZINC000431499962 395168191 /nfs/dbraw/zinc/16/81/91/395168191.db2.gz MQLPEIDNUJGGGM-UHFFFAOYSA-N 1 2 254.293 2.277 20 30 CEEDLO COc1cc[nH+]cc1CNc1snc(C)c1C#N ZINC000431477934 395168522 /nfs/dbraw/zinc/16/85/22/395168522.db2.gz OCNVOVINZCBOIO-UHFFFAOYSA-N 1 2 260.322 2.339 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000293253620 395225935 /nfs/dbraw/zinc/22/59/35/395225935.db2.gz UBPVXRDHRLNBIO-CYBMUJFWSA-N 1 2 274.364 2.367 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000293253620 395225941 /nfs/dbraw/zinc/22/59/41/395225941.db2.gz UBPVXRDHRLNBIO-CYBMUJFWSA-N 1 2 274.364 2.367 20 30 CEEDLO CC#CC[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000293312201 395228174 /nfs/dbraw/zinc/22/81/74/395228174.db2.gz XCPDKIQDQOCRGX-UHFFFAOYSA-N 1 2 259.284 2.331 20 30 CEEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000293312201 395228176 /nfs/dbraw/zinc/22/81/76/395228176.db2.gz XCPDKIQDQOCRGX-UHFFFAOYSA-N 1 2 259.284 2.331 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cnn(CC(F)F)c1)C1CC1 ZINC000351731295 395231697 /nfs/dbraw/zinc/23/16/97/395231697.db2.gz UZRUNBGNZMOBNA-SNVBAGLBSA-N 1 2 268.311 2.272 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cnn(CC(F)F)c1)C1CC1 ZINC000351731295 395231701 /nfs/dbraw/zinc/23/17/01/395231701.db2.gz UZRUNBGNZMOBNA-SNVBAGLBSA-N 1 2 268.311 2.272 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000351068085 395190593 /nfs/dbraw/zinc/19/05/93/395190593.db2.gz WQHFPBPSMSVLKF-UHFFFAOYSA-N 1 2 298.394 2.344 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000351068085 395190600 /nfs/dbraw/zinc/19/06/00/395190600.db2.gz WQHFPBPSMSVLKF-UHFFFAOYSA-N 1 2 298.394 2.344 20 30 CEEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000351473672 395224704 /nfs/dbraw/zinc/22/47/04/395224704.db2.gz VUJPSZCVESYVIA-DJIMGWMZSA-N 1 2 269.392 2.352 20 30 CEEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000351473672 395224707 /nfs/dbraw/zinc/22/47/07/395224707.db2.gz VUJPSZCVESYVIA-DJIMGWMZSA-N 1 2 269.392 2.352 20 30 CEEDLO CC(C)[C@@H]1CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000353033966 395285305 /nfs/dbraw/zinc/28/53/05/395285305.db2.gz YSRXXLGIAHPKDN-HNNXBMFYSA-N 1 2 292.404 2.062 20 30 CEEDLO CC(C)[C@@H]1CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000353033966 395285308 /nfs/dbraw/zinc/28/53/08/395285308.db2.gz YSRXXLGIAHPKDN-HNNXBMFYSA-N 1 2 292.404 2.062 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC12CCCC2)C(=O)OC ZINC000353284551 395293651 /nfs/dbraw/zinc/29/36/51/395293651.db2.gz FWAFHAKMZWPASL-KBPBESRZSA-N 1 2 281.396 2.433 20 30 CEEDLO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187448518 395302178 /nfs/dbraw/zinc/30/21/78/395302178.db2.gz ZFKZSLMUUANBCW-DOMZBBRYSA-N 1 2 290.794 2.277 20 30 CEEDLO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187448518 395302184 /nfs/dbraw/zinc/30/21/84/395302184.db2.gz ZFKZSLMUUANBCW-DOMZBBRYSA-N 1 2 290.794 2.277 20 30 CEEDLO C=C(C)C[N@@H+](CC)Cc1ccc(S(C)(=O)=O)o1 ZINC000411161646 395321464 /nfs/dbraw/zinc/32/14/64/395321464.db2.gz YTPORCLFTFEOJR-UHFFFAOYSA-N 1 2 257.355 2.081 20 30 CEEDLO C=C(C)C[N@H+](CC)Cc1ccc(S(C)(=O)=O)o1 ZINC000411161646 395321470 /nfs/dbraw/zinc/32/14/70/395321470.db2.gz YTPORCLFTFEOJR-UHFFFAOYSA-N 1 2 257.355 2.081 20 30 CEEDLO N#CC1(F)CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000352466209 395256746 /nfs/dbraw/zinc/25/67/46/395256746.db2.gz BOLKJYKVYOQIPO-UHFFFAOYSA-N 1 2 293.386 2.321 20 30 CEEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000192225640 395376639 /nfs/dbraw/zinc/37/66/39/395376639.db2.gz LDHADKZASHWBTQ-CYBMUJFWSA-N 1 2 262.740 2.010 20 30 CEEDLO C#CC[N@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000192225640 395376643 /nfs/dbraw/zinc/37/66/43/395376643.db2.gz LDHADKZASHWBTQ-CYBMUJFWSA-N 1 2 262.740 2.010 20 30 CEEDLO N#Cc1cccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000355290084 395399535 /nfs/dbraw/zinc/39/95/35/395399535.db2.gz FEUYGAIEGVESAB-UHFFFAOYSA-N 1 2 262.272 2.458 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000530495971 395457015 /nfs/dbraw/zinc/45/70/15/395457015.db2.gz NQGLXUWTAQIWOZ-KBPBESRZSA-N 1 2 290.388 2.190 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000530495971 395457021 /nfs/dbraw/zinc/45/70/21/395457021.db2.gz NQGLXUWTAQIWOZ-KBPBESRZSA-N 1 2 290.388 2.190 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000448911566 395542684 /nfs/dbraw/zinc/54/26/84/395542684.db2.gz NQIKEYKAJRPRBI-UHFFFAOYSA-N 1 2 297.362 2.212 20 30 CEEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(C#N)cn1 ZINC000573216994 395603107 /nfs/dbraw/zinc/60/31/07/395603107.db2.gz VUELTHVDHRBVDN-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(C#N)cn1 ZINC000573216994 395603109 /nfs/dbraw/zinc/60/31/09/395603109.db2.gz VUELTHVDHRBVDN-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000568410828 395558744 /nfs/dbraw/zinc/55/87/44/395558744.db2.gz ZGLVLQSSMUOBFQ-NSHDSACASA-N 1 2 290.754 2.130 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC000568650430 395564894 /nfs/dbraw/zinc/56/48/94/395564894.db2.gz PQONBJXEZPCQHM-NWDGAFQWSA-N 1 2 282.347 2.337 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC000568650430 395564896 /nfs/dbraw/zinc/56/48/96/395564896.db2.gz PQONBJXEZPCQHM-NWDGAFQWSA-N 1 2 282.347 2.337 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000573915388 395622274 /nfs/dbraw/zinc/62/22/74/395622274.db2.gz JWKLIYALGAZZAM-STQMWFEESA-N 1 2 275.352 2.411 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456442646 395633767 /nfs/dbraw/zinc/63/37/67/395633767.db2.gz ZRJNBHXQOMAMLY-YGRLFVJLSA-N 1 2 280.331 2.499 20 30 CEEDLO Cc1cc(NC(=O)NCCc2cccc(C#N)c2)c(C)c[nH+]1 ZINC000574895864 395640141 /nfs/dbraw/zinc/64/01/41/395640141.db2.gz CPMLRZQAKSLUSP-UHFFFAOYSA-N 1 2 294.358 2.356 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)c2cccc(F)c2C#N)c2[nH+]ccn21 ZINC000575223516 395646868 /nfs/dbraw/zinc/64/68/68/395646868.db2.gz DNAXPYZXHQYYLY-ZANVPECISA-N 1 2 284.294 2.330 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459426313 395666183 /nfs/dbraw/zinc/66/61/83/395666183.db2.gz DLUMYGBKEIHPAV-AAEUAGOBSA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459426313 395666184 /nfs/dbraw/zinc/66/61/84/395666184.db2.gz DLUMYGBKEIHPAV-AAEUAGOBSA-N 1 2 289.335 2.466 20 30 CEEDLO N#Cc1ccc(OC2C[NH+](Cc3ccco3)C2)cc1 ZINC000459621003 395666524 /nfs/dbraw/zinc/66/65/24/395666524.db2.gz WHAJBSRSRJMKDE-UHFFFAOYSA-N 1 2 254.289 2.414 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)n1 ZINC000459709136 395666622 /nfs/dbraw/zinc/66/66/22/395666622.db2.gz JLBCMDAWLWBFSL-NWDGAFQWSA-N 1 2 275.377 2.016 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)n1 ZINC000459709136 395666624 /nfs/dbraw/zinc/66/66/24/395666624.db2.gz JLBCMDAWLWBFSL-NWDGAFQWSA-N 1 2 275.377 2.016 20 30 CEEDLO CCCN1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1=O ZINC000192217887 153204937 /nfs/dbraw/zinc/20/49/37/153204937.db2.gz CRELGULXOPVGNY-UHFFFAOYSA-N 1 2 289.354 2.142 20 30 CEEDLO CCCN1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1=O ZINC000192217887 153204940 /nfs/dbraw/zinc/20/49/40/153204940.db2.gz CRELGULXOPVGNY-UHFFFAOYSA-N 1 2 289.354 2.142 20 30 CEEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c[nH]1 ZINC000351859097 154319471 /nfs/dbraw/zinc/31/94/71/154319471.db2.gz ZVAPZTNTYFWEDC-UHFFFAOYSA-N 1 2 277.287 2.324 20 30 CEEDLO C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1[nH]cc[nH+]1 ZINC000367617435 156216917 /nfs/dbraw/zinc/21/69/17/156216917.db2.gz NEMDUNQFCDITQE-JTQLQIEISA-N 1 2 279.307 2.035 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000275777339 287141652 /nfs/dbraw/zinc/14/16/52/287141652.db2.gz ZLJPDLLTYRFIER-WFASDCNBSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000275777339 287141656 /nfs/dbraw/zinc/14/16/56/287141656.db2.gz ZLJPDLLTYRFIER-WFASDCNBSA-N 1 2 292.404 2.128 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CCCC1 ZINC000005628048 170121414 /nfs/dbraw/zinc/12/14/14/170121414.db2.gz BDNGWDGLGKNEFV-UHFFFAOYSA-N 1 2 282.347 2.297 20 30 CEEDLO C=CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000007282878 170276522 /nfs/dbraw/zinc/27/65/22/170276522.db2.gz SYZPEKHFRJJLOZ-VMPITWQZSA-N 1 2 253.305 2.188 20 30 CEEDLO C=CCN1CC[C@@H]([NH+]2Cc3cc(F)c(F)cc3C2)C1=O ZINC000653831224 414751262 /nfs/dbraw/zinc/75/12/62/414751262.db2.gz ZUYHIXPTZMSOMA-CQSZACIVSA-N 1 2 278.302 2.067 20 30 CEEDLO CC#CC[N@@H+](C)Cc1cc(Br)cnc1OC ZINC000660643674 414912239 /nfs/dbraw/zinc/91/22/39/414912239.db2.gz CPJVEVMODCHGCL-UHFFFAOYSA-N 1 2 283.169 2.308 20 30 CEEDLO CC#CC[N@H+](C)Cc1cc(Br)cnc1OC ZINC000660643674 414912244 /nfs/dbraw/zinc/91/22/44/414912244.db2.gz CPJVEVMODCHGCL-UHFFFAOYSA-N 1 2 283.169 2.308 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2nc(C)c(C)s2)nn1 ZINC000657385520 414903624 /nfs/dbraw/zinc/90/36/24/414903624.db2.gz RIRZBHLRXIYESB-UHFFFAOYSA-N 1 2 277.397 2.217 20 30 CEEDLO C=CCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000660860763 415011594 /nfs/dbraw/zinc/01/15/94/415011594.db2.gz MCZFTPRWSBUWMV-CYBMUJFWSA-N 1 2 297.349 2.443 20 30 CEEDLO C=C[C@H](C)Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663710674 415024562 /nfs/dbraw/zinc/02/45/62/415024562.db2.gz VJOHMSIGMTVDFK-QMMMGPOBSA-N 1 2 260.345 2.150 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)nn1 ZINC000653557115 415034968 /nfs/dbraw/zinc/03/49/68/415034968.db2.gz CIGTXYVMVKFARU-RYUDHWBXSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)nn1 ZINC000653557115 415034970 /nfs/dbraw/zinc/03/49/70/415034970.db2.gz CIGTXYVMVKFARU-RYUDHWBXSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H](C)COC ZINC000661241315 415151512 /nfs/dbraw/zinc/15/15/12/415151512.db2.gz VQLBSYHHJNGELE-ZDUSSCGKSA-N 1 2 297.420 2.113 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H](C)COC ZINC000661241315 415151516 /nfs/dbraw/zinc/15/15/16/415151516.db2.gz VQLBSYHHJNGELE-ZDUSSCGKSA-N 1 2 297.420 2.113 20 30 CEEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OCC)no1)[C@@H](C)COC ZINC000661244148 415155849 /nfs/dbraw/zinc/15/58/49/415155849.db2.gz QWOJSOATTZWVMM-NWDGAFQWSA-N 1 2 283.372 2.190 20 30 CEEDLO C=CC[N@H+](Cc1nc([C@@H](C)OCC)no1)[C@@H](C)COC ZINC000661244148 415155854 /nfs/dbraw/zinc/15/58/54/415155854.db2.gz QWOJSOATTZWVMM-NWDGAFQWSA-N 1 2 283.372 2.190 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)[C@H]2c2ccncc2)C1=O ZINC000664830269 415491076 /nfs/dbraw/zinc/49/10/76/415491076.db2.gz UOSJXPFQTZPIQU-LSDHHAIUSA-N 1 2 285.391 2.251 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC(C)(C)[C@H]2c2ccncc2)C1=O ZINC000664830269 415491080 /nfs/dbraw/zinc/49/10/80/415491080.db2.gz UOSJXPFQTZPIQU-LSDHHAIUSA-N 1 2 285.391 2.251 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CCOC)no1)C(C)(C)C ZINC000661756870 415444744 /nfs/dbraw/zinc/44/47/44/415444744.db2.gz WSJBQUHSZHDCES-UHFFFAOYSA-N 1 2 253.346 2.045 20 30 CEEDLO C=CC[N@H+](Cc1nc(CCOC)no1)C(C)(C)C ZINC000661756870 415444748 /nfs/dbraw/zinc/44/47/48/415444748.db2.gz WSJBQUHSZHDCES-UHFFFAOYSA-N 1 2 253.346 2.045 20 30 CEEDLO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)C1 ZINC000655795795 415471973 /nfs/dbraw/zinc/47/19/73/415471973.db2.gz BTAZFHMZJHDXNI-AGIUHOORSA-N 1 2 276.384 2.491 20 30 CEEDLO C=CC(C)(C)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656172508 415619033 /nfs/dbraw/zinc/61/90/33/415619033.db2.gz GLDMFAJIONJOIZ-CYBMUJFWSA-N 1 2 276.384 2.442 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc[nH+]c(C)c1OC ZINC000656182755 415620354 /nfs/dbraw/zinc/62/03/54/415620354.db2.gz MQUMKPMMGHVXMJ-VXGBXAGGSA-N 1 2 263.341 2.187 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000662168717 415666754 /nfs/dbraw/zinc/66/67/54/415666754.db2.gz RRNIRAPNKKIPAJ-PSASIEDQSA-N 1 2 292.408 2.088 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2Cl)nn1 ZINC000656435450 415699909 /nfs/dbraw/zinc/69/99/09/415699909.db2.gz URYFRCSHIQBQAA-UHFFFAOYSA-N 1 2 274.755 2.093 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1cccc(C#N)c1 ZINC000077901272 177309128 /nfs/dbraw/zinc/30/91/28/177309128.db2.gz UWMYQBKZIRPYIT-CQSZACIVSA-N 1 2 260.337 2.332 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000077901272 177309129 /nfs/dbraw/zinc/30/91/29/177309129.db2.gz UWMYQBKZIRPYIT-CQSZACIVSA-N 1 2 260.337 2.332 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000347397827 226145160 /nfs/dbraw/zinc/14/51/60/226145160.db2.gz ZGMLTUQDXZLTBN-CHWSQXEVSA-N 1 2 296.798 2.480 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000347397827 226145165 /nfs/dbraw/zinc/14/51/65/226145165.db2.gz ZGMLTUQDXZLTBN-CHWSQXEVSA-N 1 2 296.798 2.480 20 30 CEEDLO C[C@@H]1C[C@@H]1NC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329271321 227397347 /nfs/dbraw/zinc/39/73/47/227397347.db2.gz JFRRNTDWRLTTIN-WOPDTQHZSA-N 1 2 290.411 2.407 20 30 CEEDLO C[C@@H]1C[C@@H]1[NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329271321 227397353 /nfs/dbraw/zinc/39/73/53/227397353.db2.gz JFRRNTDWRLTTIN-WOPDTQHZSA-N 1 2 290.411 2.407 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330174130 228055662 /nfs/dbraw/zinc/05/56/62/228055662.db2.gz HWZLVZUDFHEXNR-AGIUHOORSA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330174130 228055663 /nfs/dbraw/zinc/05/56/63/228055663.db2.gz HWZLVZUDFHEXNR-AGIUHOORSA-N 1 2 276.384 2.280 20 30 CEEDLO O=C(C[C@H]1CCCC[C@@H]1O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000330222753 228070821 /nfs/dbraw/zinc/07/08/21/228070821.db2.gz MTIQLQSAQNWIQH-SUNKGSAMSA-N 1 2 277.368 2.165 20 30 CEEDLO O=C(C[C@H]1CCCC[C@@H]1O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000330222753 228070823 /nfs/dbraw/zinc/07/08/23/228070823.db2.gz MTIQLQSAQNWIQH-SUNKGSAMSA-N 1 2 277.368 2.165 20 30 CEEDLO N#CC[C@H](CC(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000356143500 228138129 /nfs/dbraw/zinc/13/81/29/228138129.db2.gz LHCHCLGECJGOID-CYBMUJFWSA-N 1 2 268.320 2.113 20 30 CEEDLO N#CC[C@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000356143500 228138130 /nfs/dbraw/zinc/13/81/30/228138130.db2.gz LHCHCLGECJGOID-CYBMUJFWSA-N 1 2 268.320 2.113 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000332010876 228143455 /nfs/dbraw/zinc/14/34/55/228143455.db2.gz XZFPHHVJPOOQSR-HZMBPMFUSA-N 1 2 276.311 2.474 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000352097574 228182538 /nfs/dbraw/zinc/18/25/38/228182538.db2.gz UDEZPZNEGLXXNY-SECBINFHSA-N 1 2 260.263 2.037 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000352097574 228182539 /nfs/dbraw/zinc/18/25/39/228182539.db2.gz UDEZPZNEGLXXNY-SECBINFHSA-N 1 2 260.263 2.037 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000333415844 228200113 /nfs/dbraw/zinc/20/01/13/228200113.db2.gz IBUTXKLDXKYXRG-PWSUYJOCSA-N 1 2 268.364 2.369 20 30 CEEDLO C=C[C@](C)(O)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000667273952 419609697 /nfs/dbraw/zinc/60/96/97/419609697.db2.gz YUTHHWQUHUJJAK-INIZCTEOSA-N 1 2 285.347 2.176 20 30 CEEDLO C#C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000298024111 260141234 /nfs/dbraw/zinc/14/12/34/260141234.db2.gz PZWCDCCDFNKPQM-ILXRZTDVSA-N 1 2 288.395 2.133 20 30 CEEDLO C#C[C@@H](CC)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000229890505 260142195 /nfs/dbraw/zinc/14/21/95/260142195.db2.gz QEJLJQUVBVATKO-NSHDSACASA-N 1 2 265.382 2.017 20 30 CEEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000407992724 260155525 /nfs/dbraw/zinc/15/55/25/260155525.db2.gz HTTHHLRMECJXIM-CMPLNLGQSA-N 1 2 272.308 2.040 20 30 CEEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000407992724 260155527 /nfs/dbraw/zinc/15/55/27/260155527.db2.gz HTTHHLRMECJXIM-CMPLNLGQSA-N 1 2 272.308 2.040 20 30 CEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000298701374 260161988 /nfs/dbraw/zinc/16/19/88/260161988.db2.gz VOXTURZKXRVOGC-LBPRGKRZSA-N 1 2 288.347 2.416 20 30 CEEDLO N#CC1(C(=O)NCCCNc2cccc[nH+]2)CCCCC1 ZINC000115161968 260674488 /nfs/dbraw/zinc/67/44/88/260674488.db2.gz QWOULVWLHMKOKH-UHFFFAOYSA-N 1 2 286.379 2.474 20 30 CEEDLO C[C@@H](CNC(=O)C1(C#N)CCCCC1)Cn1cc[nH+]c1 ZINC000153423121 261078277 /nfs/dbraw/zinc/07/82/77/261078277.db2.gz RIXGQWCYELFZRC-ZDUSSCGKSA-N 1 2 274.368 2.109 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(=O)OC ZINC000361113461 261162357 /nfs/dbraw/zinc/16/23/57/261162357.db2.gz MGXPNHHVBNLCLN-KKUMJFAQSA-N 1 2 281.396 2.289 20 30 CEEDLO C#CCN(Cc1ccccc1)c1[nH+]cnc2c1cnn2C ZINC000491179669 261362186 /nfs/dbraw/zinc/36/21/86/261362186.db2.gz GXANHFLSTXIPGF-UHFFFAOYSA-N 1 2 277.331 2.003 20 30 CEEDLO COCCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000363932291 262037390 /nfs/dbraw/zinc/03/73/90/262037390.db2.gz QDKLPTCOMZVJEQ-HUUCEWRRSA-N 1 2 266.385 2.340 20 30 CEEDLO COCCCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000363932291 262037393 /nfs/dbraw/zinc/03/73/93/262037393.db2.gz QDKLPTCOMZVJEQ-HUUCEWRRSA-N 1 2 266.385 2.340 20 30 CEEDLO CC(C)(C#N)CCCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000368584221 262095498 /nfs/dbraw/zinc/09/54/98/262095498.db2.gz VMRHYWIUSOZGJD-UHFFFAOYSA-N 1 2 291.399 2.410 20 30 CEEDLO C=CCCC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000364502676 262253030 /nfs/dbraw/zinc/25/30/30/262253030.db2.gz MYUIPIZXAOGTTC-UHFFFAOYSA-N 1 2 273.380 2.475 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456442644 269903193 /nfs/dbraw/zinc/90/31/93/269903193.db2.gz ZRJNBHXQOMAMLY-QMTHXVAHSA-N 1 2 280.331 2.499 20 30 CEEDLO Cc1nc(CC(N)=[NH+]OCCC(C)(C)C#N)cs1 ZINC000272154618 263002575 /nfs/dbraw/zinc/00/25/75/263002575.db2.gz WLRWTEYZJFOVOL-UHFFFAOYSA-N 1 2 266.370 2.223 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc(CO)cc1 ZINC000272200156 263002661 /nfs/dbraw/zinc/00/26/61/263002661.db2.gz GICOZOOICJQZSX-LBPRGKRZSA-N 1 2 280.368 2.029 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1[nH+]ccn1C ZINC000272681437 263008165 /nfs/dbraw/zinc/00/81/65/263008165.db2.gz NQHUNGHFFUNRSK-LLVKDONJSA-N 1 2 299.334 2.033 20 30 CEEDLO N#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000276554893 263037188 /nfs/dbraw/zinc/03/71/88/263037188.db2.gz IKZFWKCLTPBEDX-YBJDMEARSA-N 1 2 258.325 2.012 20 30 CEEDLO NC(=[NH+]OCc1cc(-c2cccs2)on1)[C@H]1CCCO1 ZINC000284425489 263086857 /nfs/dbraw/zinc/08/68/57/263086857.db2.gz OLQAREPQJLSNHC-SNVBAGLBSA-N 1 2 293.348 2.371 20 30 CEEDLO COC(=O)C(C)(C)CC/[NH+]=C/c1cc(OC)ccc1O ZINC000285678694 263094878 /nfs/dbraw/zinc/09/48/78/263094878.db2.gz YVUNRXAOZXCSNE-MHWRWJLKSA-N 1 2 279.336 2.409 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1C#N ZINC000292068816 263128103 /nfs/dbraw/zinc/12/81/03/263128103.db2.gz COJZWQTWZFUYLZ-UHFFFAOYSA-N 1 2 255.321 2.339 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1C#N ZINC000292068816 263128104 /nfs/dbraw/zinc/12/81/04/263128104.db2.gz COJZWQTWZFUYLZ-UHFFFAOYSA-N 1 2 255.321 2.339 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000292877726 263135964 /nfs/dbraw/zinc/13/59/64/263135964.db2.gz XGIQFKFBRWDQRB-UHFFFAOYSA-N 1 2 267.336 2.373 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000292877726 263135965 /nfs/dbraw/zinc/13/59/65/263135965.db2.gz XGIQFKFBRWDQRB-UHFFFAOYSA-N 1 2 267.336 2.373 20 30 CEEDLO C#CCCOc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000294479777 263162731 /nfs/dbraw/zinc/16/27/31/263162731.db2.gz MQLLBQHOBFIAMQ-AWEZNQCLSA-N 1 2 297.358 2.104 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341885101 263363368 /nfs/dbraw/zinc/36/33/68/263363368.db2.gz TYXDPOVVBXDNBZ-AWEZNQCLSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341885101 263363370 /nfs/dbraw/zinc/36/33/70/263363370.db2.gz TYXDPOVVBXDNBZ-AWEZNQCLSA-N 1 2 286.441 2.073 20 30 CEEDLO C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000328702182 263846992 /nfs/dbraw/zinc/84/69/92/263846992.db2.gz XCDFXUDXBWIUHJ-QWHCGFSZSA-N 1 2 284.400 2.011 20 30 CEEDLO CCc1nc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)sc1C ZINC000330850297 264067795 /nfs/dbraw/zinc/06/77/95/264067795.db2.gz QEDPNHAHKZMFLI-CMPLNLGQSA-N 1 2 292.408 2.234 20 30 CEEDLO CCC[C@H](O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331240267 264176397 /nfs/dbraw/zinc/17/63/97/264176397.db2.gz PFOOZVLPBJKEPT-LBPRGKRZSA-N 1 2 265.357 2.494 20 30 CEEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000076669124 264340764 /nfs/dbraw/zinc/34/07/64/264340764.db2.gz OAKAAXAGBBNMRZ-CYBMUJFWSA-N 1 2 277.755 2.117 20 30 CEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000076669124 264340765 /nfs/dbraw/zinc/34/07/65/264340765.db2.gz OAKAAXAGBBNMRZ-CYBMUJFWSA-N 1 2 277.755 2.117 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294381996 265015411 /nfs/dbraw/zinc/01/54/11/265015411.db2.gz YZEUOFBVLOJKJN-NVXWUHKLSA-N 1 2 299.374 2.285 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000334870942 265077297 /nfs/dbraw/zinc/07/72/97/265077297.db2.gz OHUBAFOJLRUTCO-CYBMUJFWSA-N 1 2 280.331 2.150 20 30 CEEDLO N#CCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000519020668 265297879 /nfs/dbraw/zinc/29/78/79/265297879.db2.gz PGUDFPSEMLYWHF-UHFFFAOYSA-N 1 2 288.376 2.184 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CC(C)(C)C#N ZINC000353166527 266035151 /nfs/dbraw/zinc/03/51/51/266035151.db2.gz WOCXSLOTTOMCIJ-UHFFFAOYSA-N 1 2 284.363 2.353 20 30 CEEDLO C=C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356368071 266102833 /nfs/dbraw/zinc/10/28/33/266102833.db2.gz NAVZRWCWWHFEHR-GHMZBOCLSA-N 1 2 261.369 2.329 20 30 CEEDLO C=C[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356368071 266102836 /nfs/dbraw/zinc/10/28/36/266102836.db2.gz NAVZRWCWWHFEHR-GHMZBOCLSA-N 1 2 261.369 2.329 20 30 CEEDLO C=CCN(CC=C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357110228 266249647 /nfs/dbraw/zinc/24/96/47/266249647.db2.gz MEXCHWXASQORDW-UHFFFAOYSA-N 1 2 268.320 2.082 20 30 CEEDLO Cc1noc(C2(C)CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000357797066 266364552 /nfs/dbraw/zinc/36/45/52/266364552.db2.gz QICBYWJZRWAKHW-UHFFFAOYSA-N 1 2 260.341 2.035 20 30 CEEDLO CCCOc1ccc(CNc2cc(C)[nH+]cc2C#N)cn1 ZINC000425226817 267027685 /nfs/dbraw/zinc/02/76/85/267027685.db2.gz NKWNAQBQMUERHN-UHFFFAOYSA-N 1 2 282.347 2.480 20 30 CEEDLO CCN(CC)c1ccc(CNc2cncc(C#N)n2)c[nH+]1 ZINC000420590170 267062550 /nfs/dbraw/zinc/06/25/50/267062550.db2.gz VGFAUWIOMADUFM-UHFFFAOYSA-N 1 2 282.351 2.202 20 30 CEEDLO CC[N@@H+](Cc1cccc(C#N)c1F)C[C@H](O)C(F)(F)F ZINC000494208171 267071344 /nfs/dbraw/zinc/07/13/44/267071344.db2.gz JHYXWSDFQWCGPM-NSHDSACASA-N 1 2 290.260 2.442 20 30 CEEDLO CC[N@H+](Cc1cccc(C#N)c1F)C[C@H](O)C(F)(F)F ZINC000494208171 267071350 /nfs/dbraw/zinc/07/13/50/267071350.db2.gz JHYXWSDFQWCGPM-NSHDSACASA-N 1 2 290.260 2.442 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2cccc(C)c2)C1 ZINC000368506121 267178897 /nfs/dbraw/zinc/17/88/97/267178897.db2.gz ALHYWBBFJSIXFJ-RHSMWYFYSA-N 1 2 288.366 2.003 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2cccc(C)c2)C1 ZINC000368506121 267178899 /nfs/dbraw/zinc/17/88/99/267178899.db2.gz ALHYWBBFJSIXFJ-RHSMWYFYSA-N 1 2 288.366 2.003 20 30 CEEDLO C=CCN(C(=O)C[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000368580572 267187806 /nfs/dbraw/zinc/18/78/06/267187806.db2.gz BCGIVTXKJJHMJU-UHFFFAOYSA-N 1 2 276.405 2.283 20 30 CEEDLO C=CCN(C(=O)C[N@H+]1CCc2sccc2C1)C1CC1 ZINC000368580572 267187810 /nfs/dbraw/zinc/18/78/10/267187810.db2.gz BCGIVTXKJJHMJU-UHFFFAOYSA-N 1 2 276.405 2.283 20 30 CEEDLO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(F)F ZINC000449357149 267221791 /nfs/dbraw/zinc/22/17/91/267221791.db2.gz BTGHQVXLQJZYJM-NSHDSACASA-N 1 2 264.279 2.339 20 30 CEEDLO CC(C)(C)C(=O)N1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000369243063 267229474 /nfs/dbraw/zinc/22/94/74/267229474.db2.gz KPPSPWFRVHLVEO-AWEZNQCLSA-N 1 2 290.411 2.010 20 30 CEEDLO CC(C)(C)C(=O)N1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000369243063 267229476 /nfs/dbraw/zinc/22/94/76/267229476.db2.gz KPPSPWFRVHLVEO-AWEZNQCLSA-N 1 2 290.411 2.010 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccccc1C#N ZINC000456362508 267256609 /nfs/dbraw/zinc/25/66/09/267256609.db2.gz WSJAZYUFTNBIAA-LBPRGKRZSA-N 1 2 298.346 2.031 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1nnc(C)c(C)c1C#N ZINC000450833825 267256845 /nfs/dbraw/zinc/25/68/45/267256845.db2.gz UCILNBUUUKDCHR-LLVKDONJSA-N 1 2 270.340 2.355 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000450833347 267257338 /nfs/dbraw/zinc/25/73/38/267257338.db2.gz SOZFYSQOKLNJNE-VIFPVBQESA-N 1 2 275.743 2.418 20 30 CEEDLO CCn1cc[nH+]c1Cn1nc(C#N)c2ccccc21 ZINC000428852563 267257689 /nfs/dbraw/zinc/25/76/89/267257689.db2.gz UFWKNZGGCBPLIC-UHFFFAOYSA-N 1 2 251.293 2.173 20 30 CEEDLO C[C@H](C#N)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369849554 267272231 /nfs/dbraw/zinc/27/22/31/267272231.db2.gz CJHJTUKCTNJGSA-OCCSQVGLSA-N 1 2 294.358 2.141 20 30 CEEDLO C[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(C#N)cc1 ZINC000516147389 267322215 /nfs/dbraw/zinc/32/22/15/267322215.db2.gz BMLVTWYTVQBFLD-UHFFFAOYSA-N 1 2 281.363 2.192 20 30 CEEDLO C[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccc(C#N)cc1 ZINC000516147389 267322217 /nfs/dbraw/zinc/32/22/17/267322217.db2.gz BMLVTWYTVQBFLD-UHFFFAOYSA-N 1 2 281.363 2.192 20 30 CEEDLO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)no1 ZINC000528782916 268077389 /nfs/dbraw/zinc/07/73/89/268077389.db2.gz NQNIUCNFCHWYFV-UHFFFAOYSA-N 1 2 298.346 2.045 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCOCC2)c(OC(F)F)c1 ZINC000437435308 268217859 /nfs/dbraw/zinc/21/78/59/268217859.db2.gz PDLVQDYSFUDKSP-UHFFFAOYSA-N 1 2 282.290 2.382 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCOCC2)c(OC(F)F)c1 ZINC000437435308 268217863 /nfs/dbraw/zinc/21/78/63/268217863.db2.gz PDLVQDYSFUDKSP-UHFFFAOYSA-N 1 2 282.290 2.382 20 30 CEEDLO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c(C#N)cn1 ZINC000425206359 271138509 /nfs/dbraw/zinc/13/85/09/271138509.db2.gz JPEFFZTVPIBYQZ-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO Cc1cc(N2CCN([C@@H](C)C(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000425235726 271143123 /nfs/dbraw/zinc/14/31/23/271143123.db2.gz PKIDYWQZJSKSQD-NSHDSACASA-N 1 2 298.312 2.335 20 30 CEEDLO COCC1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425272776 271151186 /nfs/dbraw/zinc/15/11/86/271151186.db2.gz XGHZUINAPDHRDO-UHFFFAOYSA-N 1 2 259.353 2.301 20 30 CEEDLO C[C@@H]1C[N@H+](C)CCN1c1ccc(C#N)cc1Br ZINC000227537790 288071615 /nfs/dbraw/zinc/07/16/15/288071615.db2.gz KNVYQIPRABXQHY-SNVBAGLBSA-N 1 2 294.196 2.461 20 30 CEEDLO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C#N)cc1Br ZINC000227537790 288071618 /nfs/dbraw/zinc/07/16/18/288071618.db2.gz KNVYQIPRABXQHY-SNVBAGLBSA-N 1 2 294.196 2.461 20 30 CEEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352463487 279098786 /nfs/dbraw/zinc/09/87/86/279098786.db2.gz JXCJKQXDFTWDGK-ZDUSSCGKSA-N 1 2 283.391 2.207 20 30 CEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C1CC1 ZINC000329732383 281146416 /nfs/dbraw/zinc/14/64/16/281146416.db2.gz 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ZINC000339249544 328003511 /nfs/dbraw/zinc/00/35/11/328003511.db2.gz DMIDKVXSQUUSMR-UHFFFAOYSA-N 1 2 293.317 2.026 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000563366472 328059417 /nfs/dbraw/zinc/05/94/17/328059417.db2.gz INEXZLBNQVHKLN-VIFPVBQESA-N 1 2 252.339 2.317 20 30 CEEDLO CCn1c[nH+]cc1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000563584801 328075024 /nfs/dbraw/zinc/07/50/24/328075024.db2.gz YTHBZGFIGZOAGR-HOTGVXAUSA-N 1 2 288.395 2.330 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000278618728 328228378 /nfs/dbraw/zinc/22/83/78/328228378.db2.gz GEWREQDFUDMSGD-YRGRVCCFSA-N 1 2 290.388 2.187 20 30 CEEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(OC)c1O ZINC000289032173 328253968 /nfs/dbraw/zinc/25/39/68/328253968.db2.gz AYZADRFEMKUCSH-SNVBAGLBSA-N 1 2 264.325 2.143 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(OC)c1O ZINC000289032173 328253969 /nfs/dbraw/zinc/25/39/69/328253969.db2.gz AYZADRFEMKUCSH-SNVBAGLBSA-N 1 2 264.325 2.143 20 30 CEEDLO C=CCN(CCC#N)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000292500868 328270530 /nfs/dbraw/zinc/27/05/30/328270530.db2.gz SBTACGSOCAXMSX-UHFFFAOYSA-N 1 2 282.347 2.273 20 30 CEEDLO C=C1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000334442514 328427362 /nfs/dbraw/zinc/42/73/62/328427362.db2.gz CKLUMVOYEWUKCM-UHFFFAOYSA-N 1 2 283.375 2.275 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C)CC(C)(C)C#N)ccn12 ZINC000567060825 328485252 /nfs/dbraw/zinc/48/52/52/328485252.db2.gz DQQOMWSSUTWRMN-UHFFFAOYSA-N 1 2 270.336 2.265 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)C(C)C ZINC000281481092 328502007 /nfs/dbraw/zinc/50/20/07/328502007.db2.gz URXOQSKOLJQDBS-AWEZNQCLSA-N 1 2 284.363 2.100 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000562581932 327495288 /nfs/dbraw/zinc/49/52/88/327495288.db2.gz UPXBTEBNHJUNNN-BXUZGUMPSA-N 1 2 295.346 2.260 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Br)cn1 ZINC000490914413 332128293 /nfs/dbraw/zinc/12/82/93/332128293.db2.gz IHVIDOXQKMJDOH-UHFFFAOYSA-N 1 2 277.165 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LMEHFHAOPIXHRZ-KBPBESRZSA-N 1 2 294.362 2.361 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000181324141 329231711 /nfs/dbraw/zinc/23/17/11/329231711.db2.gz MANOKVBPTWVLHJ-CQSZACIVSA-N 1 2 291.347 2.195 20 30 CEEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000181324141 329231712 /nfs/dbraw/zinc/23/17/12/329231712.db2.gz MANOKVBPTWVLHJ-CQSZACIVSA-N 1 2 291.347 2.195 20 30 CEEDLO CC(C)(C)C1CCC(C#N)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000583178625 329341387 /nfs/dbraw/zinc/34/13/87/329341387.db2.gz USFIFWJYDMKTBP-UHFFFAOYSA-N 1 2 288.395 2.498 20 30 CEEDLO CC[N@H+](CCCCCS(=O)(=O)CC)C[C@@H](C)C#N ZINC000190494632 329397854 /nfs/dbraw/zinc/39/78/54/329397854.db2.gz CUBZJOFPFVXZAO-ZDUSSCGKSA-N 1 2 274.430 2.073 20 30 CEEDLO CC[N@@H+](CCCCCS(=O)(=O)CC)C[C@@H](C)C#N ZINC000190494632 329397855 /nfs/dbraw/zinc/39/78/55/329397855.db2.gz CUBZJOFPFVXZAO-ZDUSSCGKSA-N 1 2 274.430 2.073 20 30 CEEDLO N#CCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129384368 329617328 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/nfs/dbraw/zinc/10/38/47/330103847.db2.gz PMXWDRCBEYOOSZ-UHFFFAOYSA-N 1 2 264.275 2.001 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cc(F)ccc1F)C1CC1 ZINC000274185464 330103848 /nfs/dbraw/zinc/10/38/48/330103848.db2.gz PMXWDRCBEYOOSZ-UHFFFAOYSA-N 1 2 264.275 2.001 20 30 CEEDLO CCC(CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580436106 330133968 /nfs/dbraw/zinc/13/39/68/330133968.db2.gz OKEFZZWEBVBMHX-RISCZKNCSA-N 1 2 253.390 2.019 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000527748924 330280849 /nfs/dbraw/zinc/28/08/49/330280849.db2.gz ZPBPZKONARIVGI-UHFFFAOYSA-N 1 2 289.379 2.254 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2F)nn1 ZINC000424146564 330293269 /nfs/dbraw/zinc/29/32/69/330293269.db2.gz WREIEHSORPKWHA-LLVKDONJSA-N 1 2 260.316 2.454 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)cn2)nn1 ZINC000424300434 330337112 /nfs/dbraw/zinc/33/71/12/330337112.db2.gz XOHBMWPNWZFRKU-JTQLQIEISA-N 1 2 277.759 2.363 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(CCC#N)CC1 ZINC000515379798 330476020 /nfs/dbraw/zinc/47/60/20/330476020.db2.gz UDTOTCAHPNHPMM-LLVKDONJSA-N 1 2 292.408 2.486 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)CC1(C#N)CCC1 ZINC000450855182 331003141 /nfs/dbraw/zinc/00/31/41/331003141.db2.gz MFQATDGMQJZVCV-UHFFFAOYSA-N 1 2 258.369 2.345 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000450893991 331005380 /nfs/dbraw/zinc/00/53/80/331005380.db2.gz IHJFKNYGISPVBG-KGLIPLIRSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000450893991 331005381 /nfs/dbraw/zinc/00/53/81/331005381.db2.gz IHJFKNYGISPVBG-KGLIPLIRSA-N 1 2 290.411 2.452 20 30 CEEDLO N#CC1(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)CCC1 ZINC000451210208 331020736 /nfs/dbraw/zinc/02/07/36/331020736.db2.gz RBOUDDIHAIFZGK-UHFFFAOYSA-N 1 2 283.375 2.444 20 30 CEEDLO N#CC1(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)CCC1 ZINC000451210208 331020737 /nfs/dbraw/zinc/02/07/37/331020737.db2.gz RBOUDDIHAIFZGK-UHFFFAOYSA-N 1 2 283.375 2.444 20 30 CEEDLO C=CCSCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454430025 331145912 /nfs/dbraw/zinc/14/59/12/331145912.db2.gz LHXXTDQNMGLOJR-LLVKDONJSA-N 1 2 282.413 2.182 20 30 CEEDLO C=C(C)CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000455431791 331169688 /nfs/dbraw/zinc/16/96/88/331169688.db2.gz JZQHEUISBOAGQM-UHFFFAOYSA-N 1 2 285.351 2.414 20 30 CEEDLO Cc1cc(C)c(NC(=O)Nc2ccn(CCC#N)n2)c(C)[nH+]1 ZINC000455480081 331170743 /nfs/dbraw/zinc/17/07/43/331170743.db2.gz HEYQRTCIOWIQJL-UHFFFAOYSA-N 1 2 298.350 2.183 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456860905 331207730 /nfs/dbraw/zinc/20/77/30/331207730.db2.gz OCCJGTBSIGZBPZ-ZDUSSCGKSA-N 1 2 262.353 2.296 20 30 CEEDLO CC#CCN(C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000457610545 331228880 /nfs/dbraw/zinc/22/88/80/331228880.db2.gz UUXGDLAEXRXQFW-UHFFFAOYSA-N 1 2 290.754 2.152 20 30 CEEDLO Cc1ccn2cc(CNC(=O)NCC(C)(C)CC#N)[nH+]c2c1 ZINC000457941689 331237982 /nfs/dbraw/zinc/23/79/82/331237982.db2.gz IZOZEZBTJDYZFT-UHFFFAOYSA-N 1 2 299.378 2.382 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncccc1C(=O)OC ZINC000459414879 331280361 /nfs/dbraw/zinc/28/03/61/331280361.db2.gz ARFCOLFFZZRZMK-GFCCVEGCSA-N 1 2 260.337 2.409 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000459414879 331280362 /nfs/dbraw/zinc/28/03/62/331280362.db2.gz ARFCOLFFZZRZMK-GFCCVEGCSA-N 1 2 260.337 2.409 20 30 CEEDLO COc1nc(C)cc(C)c1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459453732 331281958 /nfs/dbraw/zinc/28/19/58/331281958.db2.gz CMXQARNSKZWCIM-OCCSQVGLSA-N 1 2 259.353 2.489 20 30 CEEDLO COC(=O)c1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000459478810 331283940 /nfs/dbraw/zinc/28/39/40/331283940.db2.gz NLEPBGKZUMXJPB-BXUZGUMPSA-N 1 2 276.311 2.394 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)CCC#N ZINC000479046794 331719134 /nfs/dbraw/zinc/71/91/34/331719134.db2.gz NYQWZQIJINYUEJ-UHFFFAOYSA-N 1 2 260.341 2.263 20 30 CEEDLO C=CCn1cccc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000488846170 332029017 /nfs/dbraw/zinc/02/90/17/332029017.db2.gz SBGVXKCUDYQJTH-UHFFFAOYSA-N 1 2 284.363 2.137 20 30 CEEDLO C#C[C@H](CC)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490739891 332110483 /nfs/dbraw/zinc/11/04/83/332110483.db2.gz LPYOCDAWNCBQMR-GFCCVEGCSA-N 1 2 255.321 2.023 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000491278267 332179866 /nfs/dbraw/zinc/17/98/66/332179866.db2.gz SIJDUNDKACXFFN-CQSZACIVSA-N 1 2 288.395 2.375 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000491328046 332191705 /nfs/dbraw/zinc/19/17/05/332191705.db2.gz ZYSQPNIKZNIAJD-ZDUSSCGKSA-N 1 2 284.363 2.056 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc[nH+]c3ccncc32)n1 ZINC000491339947 332193335 /nfs/dbraw/zinc/19/33/35/332193335.db2.gz UKZYAZYAMXSBFG-UHFFFAOYSA-N 1 2 291.358 2.486 20 30 CEEDLO N#CC1(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000491505885 332225040 /nfs/dbraw/zinc/22/50/40/332225040.db2.gz MYNAHWODEBERIT-QPJJXVBHSA-N 1 2 292.342 2.448 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491569429 332240371 /nfs/dbraw/zinc/24/03/71/332240371.db2.gz VYXVHVJIERJYJS-YHAOYDPOSA-N 1 2 279.343 2.366 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000491632036 332254436 /nfs/dbraw/zinc/25/44/36/332254436.db2.gz SCIAUOCLAKYOJS-LLVKDONJSA-N 1 2 281.425 2.193 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000491632036 332254437 /nfs/dbraw/zinc/25/44/37/332254437.db2.gz SCIAUOCLAKYOJS-LLVKDONJSA-N 1 2 281.425 2.193 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491664810 332273766 /nfs/dbraw/zinc/27/37/66/332273766.db2.gz RCGKIVOUFJGKRB-SNVBAGLBSA-N 1 2 280.755 2.241 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491664810 332273767 /nfs/dbraw/zinc/27/37/67/332273767.db2.gz RCGKIVOUFJGKRB-SNVBAGLBSA-N 1 2 280.755 2.241 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000491702174 332296525 /nfs/dbraw/zinc/29/65/25/332296525.db2.gz MFDVMXWAZBPMSO-AWEZNQCLSA-N 1 2 288.395 2.139 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000491705076 332298221 /nfs/dbraw/zinc/29/82/21/332298221.db2.gz ILYVTLWGKOOASZ-RHSMWYFYSA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000491705076 332298222 /nfs/dbraw/zinc/29/82/22/332298222.db2.gz ILYVTLWGKOOASZ-RHSMWYFYSA-N 1 2 270.376 2.088 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OCC)n2)n1 ZINC000491717527 332306817 /nfs/dbraw/zinc/30/68/17/332306817.db2.gz RAMOYHZRMOXGMA-UHFFFAOYSA-N 1 2 298.390 2.332 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OCC)n2)n1 ZINC000491717527 332306819 /nfs/dbraw/zinc/30/68/19/332306819.db2.gz RAMOYHZRMOXGMA-UHFFFAOYSA-N 1 2 298.390 2.332 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000491742770 332321213 /nfs/dbraw/zinc/32/12/13/332321213.db2.gz LWVDIAUBSYLYRP-CHWSQXEVSA-N 1 2 250.386 2.182 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000491742770 332321214 /nfs/dbraw/zinc/32/12/14/332321214.db2.gz LWVDIAUBSYLYRP-CHWSQXEVSA-N 1 2 250.386 2.182 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491770304 332337296 /nfs/dbraw/zinc/33/72/96/332337296.db2.gz MAWUTIBKGCTVSQ-HIFRSBDPSA-N 1 2 281.359 2.412 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000491804362 332358189 /nfs/dbraw/zinc/35/81/89/332358189.db2.gz LNEUZWXLPCZUPA-LBPRGKRZSA-N 1 2 274.389 2.079 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000491804362 332358190 /nfs/dbraw/zinc/35/81/90/332358190.db2.gz LNEUZWXLPCZUPA-LBPRGKRZSA-N 1 2 274.389 2.079 20 30 CEEDLO C#CC[N@@H+](CCCC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491819639 332369371 /nfs/dbraw/zinc/36/93/71/332369371.db2.gz UVXOSOOAHYWMCY-INIZCTEOSA-N 1 2 297.464 2.469 20 30 CEEDLO C#CC[N@H+](CCCC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491819639 332369372 /nfs/dbraw/zinc/36/93/72/332369372.db2.gz UVXOSOOAHYWMCY-INIZCTEOSA-N 1 2 297.464 2.469 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(CC#N)C1CCCC1 ZINC000492297859 332391271 /nfs/dbraw/zinc/39/12/71/332391271.db2.gz UINWIZXOYMJPJZ-FPLPWBNLSA-N 1 2 272.352 2.211 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)CC(C)C ZINC000492408831 332395991 /nfs/dbraw/zinc/39/59/91/332395991.db2.gz ONHXWFZGYAFNDI-LQYUOIDQSA-N 1 2 274.368 2.361 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CC#N)c1ccccc1 ZINC000492407874 332396041 /nfs/dbraw/zinc/39/60/41/332396041.db2.gz LPUMRUHPZLCHDZ-CMDGGOBGSA-N 1 2 280.331 2.473 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(CC#N)ccn1 ZINC000492527348 332401634 /nfs/dbraw/zinc/40/16/34/332401634.db2.gz DSDIZNLSKKOVMR-ARJAWSKDSA-N 1 2 281.319 2.016 20 30 CEEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000174692118 333005841 /nfs/dbraw/zinc/00/58/41/333005841.db2.gz XNNDCVIJAKXYBX-KBPBESRZSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000174692118 333005843 /nfs/dbraw/zinc/00/58/43/333005843.db2.gz XNNDCVIJAKXYBX-KBPBESRZSA-N 1 2 277.412 2.402 20 30 CEEDLO CC(C)CN(C(=O)C[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000174691360 333005886 /nfs/dbraw/zinc/00/58/86/333005886.db2.gz KTUBLKBIGZNIEG-UHFFFAOYSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)CN(C(=O)C[N@@H+](CCC#N)CC1CC1)C1CC1 ZINC000174691360 333005887 /nfs/dbraw/zinc/00/58/87/333005887.db2.gz KTUBLKBIGZNIEG-UHFFFAOYSA-N 1 2 277.412 2.259 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000517392227 333098850 /nfs/dbraw/zinc/09/88/50/333098850.db2.gz VZGMWJFKBURUKO-JSGCOSHPSA-N 1 2 275.327 2.213 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000192221006 333232568 /nfs/dbraw/zinc/23/25/68/333232568.db2.gz HKGWABVIIHRCCO-SNVBAGLBSA-N 1 2 273.361 2.188 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000192221006 333232569 /nfs/dbraw/zinc/23/25/69/333232569.db2.gz HKGWABVIIHRCCO-SNVBAGLBSA-N 1 2 273.361 2.188 20 30 CEEDLO C#CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000195116237 333245776 /nfs/dbraw/zinc/24/57/76/333245776.db2.gz IDMQXKAPYJVDGL-UHFFFAOYSA-N 1 2 257.312 2.195 20 30 CEEDLO C#CC[N@H+](Cc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000195116237 333245778 /nfs/dbraw/zinc/24/57/78/333245778.db2.gz IDMQXKAPYJVDGL-UHFFFAOYSA-N 1 2 257.312 2.195 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000227352247 333281217 /nfs/dbraw/zinc/28/12/17/333281217.db2.gz JMPAATIIGLHFGG-UHFFFAOYSA-N 1 2 254.337 2.460 20 30 CEEDLO COc1ccnc(C[NH+]2CCC(C)(C#N)CC2)c1OC ZINC000234997887 333364085 /nfs/dbraw/zinc/36/40/85/333364085.db2.gz KACAADTWSJTORF-UHFFFAOYSA-N 1 2 275.352 2.224 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000127187343 333622735 /nfs/dbraw/zinc/62/27/35/333622735.db2.gz OYXOJMGEAGVMHV-MRXNPFEDSA-N 1 2 282.347 2.353 20 30 CEEDLO C=CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000547953383 334131167 /nfs/dbraw/zinc/13/11/67/334131167.db2.gz UQRGWXXXYSNOJX-AWEZNQCLSA-N 1 2 284.363 2.337 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2OC)C1=O ZINC000576764652 335245232 /nfs/dbraw/zinc/24/52/32/335245232.db2.gz ACPDCHJNLRFCGD-QWHCGFSZSA-N 1 2 287.363 2.082 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)CC#N)c1 ZINC000344987807 534242022 /nfs/dbraw/zinc/24/20/22/534242022.db2.gz GJNOOETWQJRGOR-GFCCVEGCSA-N 1 2 268.320 2.213 20 30 CEEDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000367423464 518563254 /nfs/dbraw/zinc/56/32/54/518563254.db2.gz STNWZTYQEHOXFT-UHFFFAOYSA-N 1 2 289.379 2.232 20 30 CEEDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000367423464 518563262 /nfs/dbraw/zinc/56/32/62/518563262.db2.gz STNWZTYQEHOXFT-UHFFFAOYSA-N 1 2 289.379 2.232 20 30 CEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000184997641 518762449 /nfs/dbraw/zinc/76/24/49/518762449.db2.gz SHVKLZVCBPFTMN-LBPRGKRZSA-N 1 2 279.409 2.303 20 30 CEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000329236099 534386700 /nfs/dbraw/zinc/38/67/00/534386700.db2.gz JEXHWNMZJQOFMJ-OAHLLOKOSA-N 1 2 288.351 2.296 20 30 CEEDLO C=CCCC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264071381 534602953 /nfs/dbraw/zinc/60/29/53/534602953.db2.gz DWWQTTQCTBTBLR-UHFFFAOYSA-N 1 2 275.274 2.370 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)c1sccc1C#N ZINC000052030807 522377632 /nfs/dbraw/zinc/37/76/32/522377632.db2.gz CMHGJWLXMXRIAS-UHFFFAOYSA-N 1 2 272.333 2.333 20 30 CEEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(Cl)ccc1C#N ZINC000062785409 524630793 /nfs/dbraw/zinc/63/07/93/524630793.db2.gz NUJIQLBEAKLXKU-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO C=CC1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000336230595 526967044 /nfs/dbraw/zinc/96/70/44/526967044.db2.gz XTEBCBIYIQJUID-UHFFFAOYSA-N 1 2 284.363 2.442 20 30 CEEDLO C=CCC[C@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000350658284 527493136 /nfs/dbraw/zinc/49/31/36/527493136.db2.gz VJIAMMRKNJGYTC-BBBYJDLNSA-N 1 2 283.412 2.415 20 30 CEEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)s1 ZINC000178872263 527905315 /nfs/dbraw/zinc/90/53/15/527905315.db2.gz FYEPRPYOTFQGDA-UHFFFAOYSA-N 1 2 252.339 2.005 20 30 CEEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000152631350 528939856 /nfs/dbraw/zinc/93/98/56/528939856.db2.gz WYXQZDQVMXFOFW-UHFFFAOYSA-N 1 2 287.344 2.168 20 30 CEEDLO CCOC[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356122889 529019411 /nfs/dbraw/zinc/01/94/11/529019411.db2.gz MFBWVYFHNZKHKP-NSHDSACASA-N 1 2 265.382 2.263 20 30 CEEDLO CCOC[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356122889 529019414 /nfs/dbraw/zinc/01/94/14/529019414.db2.gz MFBWVYFHNZKHKP-NSHDSACASA-N 1 2 265.382 2.263 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCCOc2ccccc2)cc1 ZINC000728709860 574468764 /nfs/dbraw/zinc/46/87/64/574468764.db2.gz CQJLYYFIADWEBR-UHFFFAOYSA-N 1 2 286.331 2.411 20 30 CEEDLO CC(CC1CCOCC1)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936541 574520162 /nfs/dbraw/zinc/52/01/62/574520162.db2.gz VTQVAMLCIWUMHJ-ZIAGYGMSSA-N 1 2 278.400 2.039 20 30 CEEDLO N#CCSc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733985948 574696875 /nfs/dbraw/zinc/69/68/75/574696875.db2.gz RADOQFCNMASYSG-UHFFFAOYSA-N 1 2 298.371 2.196 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2ccsc2s1 ZINC000735482334 574760415 /nfs/dbraw/zinc/76/04/15/574760415.db2.gz FDYNEZZIIAQRQW-JTQLQIEISA-N 1 2 291.401 2.394 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccsc2s1 ZINC000735482334 574760416 /nfs/dbraw/zinc/76/04/16/574760416.db2.gz FDYNEZZIIAQRQW-JTQLQIEISA-N 1 2 291.401 2.394 20 30 CEEDLO COc1ccc([NH2+]CCCC(=O)O[C@H](C)C#N)cc1 ZINC000736833713 574798097 /nfs/dbraw/zinc/79/80/97/574798097.db2.gz DXJPWOJBGAEDFX-LLVKDONJSA-N 1 2 262.309 2.343 20 30 CEEDLO C=CCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741350850 574983268 /nfs/dbraw/zinc/98/32/68/574983268.db2.gz BVWWZYIZWKAPJI-HNNXBMFYSA-N 1 2 275.348 2.007 20 30 CEEDLO C=CCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741350850 574983270 /nfs/dbraw/zinc/98/32/70/574983270.db2.gz BVWWZYIZWKAPJI-HNNXBMFYSA-N 1 2 275.348 2.007 20 30 CEEDLO N#CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741355771 574983293 /nfs/dbraw/zinc/98/32/93/574983293.db2.gz WQULYBUJLUZNDE-CQSZACIVSA-N 1 2 258.321 2.108 20 30 CEEDLO N#CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741355771 574983295 /nfs/dbraw/zinc/98/32/95/574983295.db2.gz WQULYBUJLUZNDE-CQSZACIVSA-N 1 2 258.321 2.108 20 30 CEEDLO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)CC#N)C2=O)cc1 ZINC000743483084 575105074 /nfs/dbraw/zinc/10/50/74/575105074.db2.gz SANDUAXUDDYXOG-ZFWWWQNUSA-N 1 2 271.364 2.382 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000743852656 575110921 /nfs/dbraw/zinc/11/09/21/575110921.db2.gz YJJNTSPIPBCLEG-INIZCTEOSA-N 1 2 282.387 2.165 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000743852656 575110922 /nfs/dbraw/zinc/11/09/22/575110922.db2.gz YJJNTSPIPBCLEG-INIZCTEOSA-N 1 2 282.387 2.165 20 30 CEEDLO CC[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CCO1 ZINC000744129221 575114395 /nfs/dbraw/zinc/11/43/95/575114395.db2.gz HPNWAFKERGGOAE-INIZCTEOSA-N 1 2 296.374 2.490 20 30 CEEDLO CC[C@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CCO1 ZINC000744129221 575114397 /nfs/dbraw/zinc/11/43/97/575114397.db2.gz HPNWAFKERGGOAE-INIZCTEOSA-N 1 2 296.374 2.490 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2cnc(C)s2)cc1 ZINC000744179305 575115895 /nfs/dbraw/zinc/11/58/95/575115895.db2.gz 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280.318 2.299 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC23CCC3)C1 ZINC000970509926 613371590 /nfs/dbraw/zinc/37/15/90/613371590.db2.gz SXNLZNDAPUIUCO-YPMHNXCESA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)co2)C1 ZINC000970304812 613371758 /nfs/dbraw/zinc/37/17/58/613371758.db2.gz UJKIUBCTFPUBQR-LLVKDONJSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC23CCC3)C1 ZINC000970509924 613372277 /nfs/dbraw/zinc/37/22/77/613372277.db2.gz SXNLZNDAPUIUCO-WCQYABFASA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(C)s2)C1 ZINC000969383628 613372297 /nfs/dbraw/zinc/37/22/97/613372297.db2.gz CLJFUSFTHYICCV-VIFPVBQESA-N 1 2 299.827 2.254 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(C)(F)F)CC1 ZINC000981896629 613373026 /nfs/dbraw/zinc/37/30/26/613373026.db2.gz VXCRUEHHNFHSGV-UHFFFAOYSA-N 1 2 280.746 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(C)(F)F)CC1 ZINC000981896629 613373027 /nfs/dbraw/zinc/37/30/27/613373027.db2.gz VXCRUEHHNFHSGV-UHFFFAOYSA-N 1 2 280.746 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2ccco2)CC1 ZINC000980696890 613373250 /nfs/dbraw/zinc/37/32/50/613373250.db2.gz RIYGXMIUPMOXSG-UHFFFAOYSA-N 1 2 296.798 2.499 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2ccco2)CC1 ZINC000980696890 613373251 /nfs/dbraw/zinc/37/32/51/613373251.db2.gz RIYGXMIUPMOXSG-UHFFFAOYSA-N 1 2 296.798 2.499 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC000965243482 613375667 /nfs/dbraw/zinc/37/56/67/613375667.db2.gz GHFMJAHQRVQKAQ-ZYHUDNBSSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC000965243482 613375668 /nfs/dbraw/zinc/37/56/68/613375668.db2.gz GHFMJAHQRVQKAQ-ZYHUDNBSSA-N 1 2 258.793 2.222 20 30 CEEDLO CC#CC[N@@H+]1CCCN(C(=O)c2sccc2F)CC1 ZINC000981104217 613557074 /nfs/dbraw/zinc/55/70/74/613557074.db2.gz UKIARHUNQIUNOT-UHFFFAOYSA-N 1 2 280.368 2.058 20 30 CEEDLO CC#CC[N@H+]1CCCN(C(=O)c2sccc2F)CC1 ZINC000981104217 613557076 /nfs/dbraw/zinc/55/70/76/613557076.db2.gz UKIARHUNQIUNOT-UHFFFAOYSA-N 1 2 280.368 2.058 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccc(C)cc2C)CC1 ZINC000949540368 613562096 /nfs/dbraw/zinc/56/20/96/613562096.db2.gz GYNLUFRVGONJBB-UHFFFAOYSA-N 1 2 298.430 2.404 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000957094532 613654273 /nfs/dbraw/zinc/65/42/73/613654273.db2.gz HVXKXVGRHYJKJY-GDBMZVCRSA-N 1 2 294.439 2.156 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3oc(C)nc32)C1 ZINC000957439175 613657851 /nfs/dbraw/zinc/65/78/51/613657851.db2.gz VEZZLFASAFRASX-UHFFFAOYSA-N 1 2 299.374 2.469 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cn2c(C)cc3ccccc32)CC1 ZINC000949169706 613710025 /nfs/dbraw/zinc/71/00/25/613710025.db2.gz HVWHGIIPTZDDMK-UHFFFAOYSA-N 1 2 297.402 2.280 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000949416838 613713185 /nfs/dbraw/zinc/71/31/85/613713185.db2.gz HUCZUQFCDHHFMU-QKDCVEJESA-N 1 2 262.397 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)CC)cc2)CC1 ZINC000957894005 613716069 /nfs/dbraw/zinc/71/60/69/613716069.db2.gz XOTLLUKVOXXGQM-UHFFFAOYSA-N 1 2 287.407 2.087 20 30 CEEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C ZINC000964508924 614050181 /nfs/dbraw/zinc/05/01/81/614050181.db2.gz DIBURXTXGCLTHY-BDJLRTHQSA-N 1 2 289.354 2.044 20 30 CEEDLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1C ZINC000964508924 614050185 /nfs/dbraw/zinc/05/01/85/614050185.db2.gz DIBURXTXGCLTHY-BDJLRTHQSA-N 1 2 289.354 2.044 20 30 CEEDLO C=C1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000892439799 625444225 /nfs/dbraw/zinc/44/42/25/625444225.db2.gz ZUWNDICIPGSUOG-UHFFFAOYSA-N 1 2 285.391 2.364 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2cccc2C1 ZINC000932528860 622943946 /nfs/dbraw/zinc/94/39/46/622943946.db2.gz SUQNRIMPCBXLBM-UHFFFAOYSA-N 1 2 267.332 2.384 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2cccc2C1 ZINC000932528860 622943949 /nfs/dbraw/zinc/94/39/49/622943949.db2.gz SUQNRIMPCBXLBM-UHFFFAOYSA-N 1 2 267.332 2.384 20 30 CEEDLO C=CCCCN(CC)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000890812564 622997499 /nfs/dbraw/zinc/99/74/99/622997499.db2.gz ZACOGMJWLNAILE-UHFFFAOYSA-N 1 2 280.412 2.056 20 30 CEEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000047255716 623287981 /nfs/dbraw/zinc/28/79/81/623287981.db2.gz HIMXGJAAXNKIDM-UHFFFAOYSA-N 1 2 297.358 2.465 20 30 CEEDLO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000933112739 623502207 /nfs/dbraw/zinc/50/22/07/623502207.db2.gz BQEOARNILIPJLK-RBSFLKMASA-N 1 2 298.452 2.073 20 30 CEEDLO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000933112739 623502210 /nfs/dbraw/zinc/50/22/10/623502210.db2.gz BQEOARNILIPJLK-RBSFLKMASA-N 1 2 298.452 2.073 20 30 CEEDLO CC[N@H+](Cc1ccc(OC)c(C#N)c1)C(C)(C)C(=O)OC ZINC000933192938 623533071 /nfs/dbraw/zinc/53/30/71/623533071.db2.gz GPSODOSLIHOVJO-UHFFFAOYSA-N 1 2 290.363 2.340 20 30 CEEDLO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)C(C)(C)C(=O)OC ZINC000933192938 623533076 /nfs/dbraw/zinc/53/30/76/623533076.db2.gz GPSODOSLIHOVJO-UHFFFAOYSA-N 1 2 290.363 2.340 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1c(Br)cnn1C ZINC000934461432 624511985 /nfs/dbraw/zinc/51/19/85/624511985.db2.gz XXFMMRPESVEAKO-VIFPVBQESA-N 1 2 270.174 2.333 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1c(Br)cnn1C ZINC000934461432 624511992 /nfs/dbraw/zinc/51/19/92/624511992.db2.gz XXFMMRPESVEAKO-VIFPVBQESA-N 1 2 270.174 2.333 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 ZINC000903000747 634932666 /nfs/dbraw/zinc/93/26/66/634932666.db2.gz IMQPQCWQBGCTKC-STQMWFEESA-N 1 2 256.365 2.233 20 30 CEEDLO CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000066425020 625914466 /nfs/dbraw/zinc/91/44/66/625914466.db2.gz KBEPMORXLNEIQQ-YGRLFVJLSA-N 1 2 268.307 2.480 20 30 CEEDLO CC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000066425020 625914473 /nfs/dbraw/zinc/91/44/73/625914473.db2.gz KBEPMORXLNEIQQ-YGRLFVJLSA-N 1 2 268.307 2.480 20 30 CEEDLO C[C@H](c1cnn(C2CCC2)c1)[NH+]1CCN(CCC#N)CC1 ZINC000926807701 627398202 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ZINC000893550851 628732158 /nfs/dbraw/zinc/73/21/58/628732158.db2.gz HSUXMXBOMPRSIP-UHFFFAOYSA-N 1 2 287.363 2.147 20 30 CEEDLO CC[C@H](CO)Nc1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000894160729 629177214 /nfs/dbraw/zinc/17/72/14/629177214.db2.gz UXPYKUSNJBTTDF-LLVKDONJSA-N 1 2 277.372 2.011 20 30 CEEDLO CC[C@H](CO)Nc1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000894160729 629177217 /nfs/dbraw/zinc/17/72/17/629177217.db2.gz UXPYKUSNJBTTDF-LLVKDONJSA-N 1 2 277.372 2.011 20 30 CEEDLO CCc1cc(N2C[C@@H](C)N(CC#N)[C@H](C)C2)nc(CC)[nH+]1 ZINC000894370423 629400125 /nfs/dbraw/zinc/40/01/25/629400125.db2.gz XEIPGBHDFOXHSA-CHWSQXEVSA-N 1 2 287.411 2.024 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928400949 629423462 /nfs/dbraw/zinc/42/34/62/629423462.db2.gz MIXBXJZZKDZTNI-INIZCTEOSA-N 1 2 281.359 2.179 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928400949 629423464 /nfs/dbraw/zinc/42/34/64/629423464.db2.gz MIXBXJZZKDZTNI-INIZCTEOSA-N 1 2 281.359 2.179 20 30 CEEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)c(F)c1OC ZINC000894453091 629470489 /nfs/dbraw/zinc/47/04/89/629470489.db2.gz QMOZDOKTXQKQIG-SECBINFHSA-N 1 2 252.289 2.092 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCCN(CC(F)F)CC2)cs1 ZINC000894483895 629487284 /nfs/dbraw/zinc/48/72/84/629487284.db2.gz PHLHZHMOYJRCEQ-UHFFFAOYSA-N 1 2 285.363 2.393 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)cs1 ZINC000894483895 629487288 /nfs/dbraw/zinc/48/72/88/629487288.db2.gz PHLHZHMOYJRCEQ-UHFFFAOYSA-N 1 2 285.363 2.393 20 30 CEEDLO C[N@H+](Cc1ccc2oc(=O)oc2c1)CC(C)(C)C#N ZINC000894858189 629696574 /nfs/dbraw/zinc/69/65/74/629696574.db2.gz WMZVNHTWGYUGHL-UHFFFAOYSA-N 1 2 260.293 2.368 20 30 CEEDLO C[N@@H+](Cc1ccc2oc(=O)oc2c1)CC(C)(C)C#N ZINC000894858189 629696579 /nfs/dbraw/zinc/69/65/79/629696579.db2.gz WMZVNHTWGYUGHL-UHFFFAOYSA-N 1 2 260.293 2.368 20 30 CEEDLO N#C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000821624623 634765915 /nfs/dbraw/zinc/76/59/15/634765915.db2.gz QRVKBXBOWBGMCU-HNNXBMFYSA-N 1 2 281.315 2.390 20 30 CEEDLO COCCCNN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000794542728 629974905 /nfs/dbraw/zinc/97/49/05/629974905.db2.gz WWNNBUJEKLIPJA-UHFFFAOYSA-N 1 2 272.352 2.222 20 30 CEEDLO N#Cc1ccc(C(=O)OCc2cccc3[nH+]ccn32)o1 ZINC000796975087 630088024 /nfs/dbraw/zinc/08/80/24/630088024.db2.gz CKNXMTFVMAUJFW-UHFFFAOYSA-N 1 2 267.244 2.156 20 30 CEEDLO C=CCOCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000797295405 630205988 /nfs/dbraw/zinc/20/59/88/630205988.db2.gz RBUIMSVQLUCDAN-HNNXBMFYSA-N 1 2 277.364 2.425 20 30 CEEDLO C=CCOCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000797295405 630205993 /nfs/dbraw/zinc/20/59/93/630205993.db2.gz RBUIMSVQLUCDAN-HNNXBMFYSA-N 1 2 277.364 2.425 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000895670084 630299480 /nfs/dbraw/zinc/29/94/80/630299480.db2.gz KZJVWALJHINKJS-UHFFFAOYSA-N 1 2 283.293 2.454 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@H](OC)C12CCC2)C(=O)OCC ZINC000896003279 630437704 /nfs/dbraw/zinc/43/77/04/630437704.db2.gz HRVLASPBYFMQHI-MJBXVCDLSA-N 1 2 281.396 2.432 20 30 CEEDLO C=CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896292706 630526251 /nfs/dbraw/zinc/52/62/51/630526251.db2.gz WPIWQFYJLZMVIL-UHFFFAOYSA-N 1 2 261.369 2.351 20 30 CEEDLO CC(C)(CO)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000799114501 630979898 /nfs/dbraw/zinc/97/98/98/630979898.db2.gz FGOJJLNUZMOCNH-UHFFFAOYSA-N 1 2 279.384 2.212 20 30 CEEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)ccc1O ZINC000840718022 631028058 /nfs/dbraw/zinc/02/80/58/631028058.db2.gz WENFQPXPTBLZND-SOFGYWHQSA-N 1 2 285.347 2.396 20 30 CEEDLO Cc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1C#N ZINC000799550791 631042666 /nfs/dbraw/zinc/04/26/66/631042666.db2.gz LJIJRAVCIYXKBO-UHFFFAOYSA-N 1 2 269.304 2.310 20 30 CEEDLO Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1C#N ZINC000799604957 631049525 /nfs/dbraw/zinc/04/95/25/631049525.db2.gz VMWLWLQUAIFJEL-UHFFFAOYSA-N 1 2 293.326 2.165 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2ccc(C(F)(F)F)nn2)cn1C ZINC000800815132 631146630 /nfs/dbraw/zinc/14/66/30/631146630.db2.gz MUUCQAOHNGIEEY-UHFFFAOYSA-N 1 2 298.272 2.373 20 30 CEEDLO C=C(C)CS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000797826302 631179052 /nfs/dbraw/zinc/17/90/52/631179052.db2.gz OSLOFRHHBDRNBW-UHFFFAOYSA-N 1 2 278.333 2.157 20 30 CEEDLO CC#CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000801176990 631229620 /nfs/dbraw/zinc/22/96/20/631229620.db2.gz AXKIFQPNHJHWES-MRXNPFEDSA-N 1 2 281.359 2.381 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000801927179 631357597 /nfs/dbraw/zinc/35/75/97/631357597.db2.gz JJXXLXIRYDNKOG-YRGRVCCFSA-N 1 2 280.393 2.439 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000801927179 631357603 /nfs/dbraw/zinc/35/76/03/631357603.db2.gz JJXXLXIRYDNKOG-YRGRVCCFSA-N 1 2 280.393 2.439 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000801926287 631357667 /nfs/dbraw/zinc/35/76/67/631357667.db2.gz DHHUJXAMUOZOIB-VXGBXAGGSA-N 1 2 266.366 2.050 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000801926287 631357673 /nfs/dbraw/zinc/35/76/73/631357673.db2.gz DHHUJXAMUOZOIB-VXGBXAGGSA-N 1 2 266.366 2.050 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccnn2C2CCC2)n1 ZINC000897626448 631833017 /nfs/dbraw/zinc/83/30/17/631833017.db2.gz QLVLLJNUXFJTSQ-UHFFFAOYSA-N 1 2 273.365 2.226 20 30 CEEDLO Cc1nn(C(C)C)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897628824 631837862 /nfs/dbraw/zinc/83/78/62/631837862.db2.gz CWPMYYCWYJUUPF-UHFFFAOYSA-N 1 2 275.381 2.390 20 30 CEEDLO Nc1ccc(C=[NH+][N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)cn1 ZINC000807961725 631891922 /nfs/dbraw/zinc/89/19/22/631891922.db2.gz BWXAAODAHWFYLI-UHFFFAOYSA-N 1 2 288.261 2.264 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230826 631938578 /nfs/dbraw/zinc/93/85/78/631938578.db2.gz QUYVQQIHBTUGFY-LBPRGKRZSA-N 1 2 291.424 2.097 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230826 631938581 /nfs/dbraw/zinc/93/85/81/631938581.db2.gz QUYVQQIHBTUGFY-LBPRGKRZSA-N 1 2 291.424 2.097 20 30 CEEDLO N#CC[C@@H](O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000809576252 632103166 /nfs/dbraw/zinc/10/31/66/632103166.db2.gz SQCUNCQCLYJMNK-NVXWUHKLSA-N 1 2 281.359 2.168 20 30 CEEDLO N#CC[C@@H](O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000809576252 632103168 /nfs/dbraw/zinc/10/31/68/632103168.db2.gz SQCUNCQCLYJMNK-NVXWUHKLSA-N 1 2 281.359 2.168 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000812747585 632572824 /nfs/dbraw/zinc/57/28/24/632572824.db2.gz DTGAFGQJYZDGPD-UKRRQHHQSA-N 1 2 297.333 2.075 20 30 CEEDLO CC(C)(CNC(=O)[C@@]1(C#N)CC12CCCC2)n1cc[nH+]c1 ZINC000898908813 632642730 /nfs/dbraw/zinc/64/27/30/632642730.db2.gz BGRAMVJZXRZLOL-INIZCTEOSA-N 1 2 286.379 2.208 20 30 CEEDLO C=CCOCCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000813894686 632753788 /nfs/dbraw/zinc/75/37/88/632753788.db2.gz TWOSXEDSTFDGCM-CQSZACIVSA-N 1 2 289.375 2.179 20 30 CEEDLO C=CCOCCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000813894686 632753793 /nfs/dbraw/zinc/75/37/93/632753793.db2.gz TWOSXEDSTFDGCM-CQSZACIVSA-N 1 2 289.375 2.179 20 30 CEEDLO C[N@H+](C[C@@H](O)c1ccccc1F)CC(C)(C)C#N ZINC000814669201 632877826 /nfs/dbraw/zinc/87/78/26/632877826.db2.gz IPTBJMGZBOLTNW-CYBMUJFWSA-N 1 2 250.317 2.341 20 30 CEEDLO C[N@@H+](C[C@@H](O)c1ccccc1F)CC(C)(C)C#N ZINC000814669201 632877830 /nfs/dbraw/zinc/87/78/30/632877830.db2.gz IPTBJMGZBOLTNW-CYBMUJFWSA-N 1 2 250.317 2.341 20 30 CEEDLO CN(C)c1ncc(C=[NH+]Nc2cccc(F)c2)cn1 ZINC000814814847 632903026 /nfs/dbraw/zinc/90/30/26/632903026.db2.gz BVVKFRPSDIQALF-UHFFFAOYSA-N 1 2 259.288 2.128 20 30 CEEDLO COc1cc(F)cc(N[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814870946 632911512 /nfs/dbraw/zinc/91/15/12/632911512.db2.gz VGNFZZZEAHDDNW-UHFFFAOYSA-N 1 2 289.314 2.136 20 30 CEEDLO CCn1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)nn1 ZINC000899872548 633070486 /nfs/dbraw/zinc/07/04/86/633070486.db2.gz GXZQLJWLGVOJEE-LBPRGKRZSA-N 1 2 269.352 2.363 20 30 CEEDLO CCn1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)nn1 ZINC000899872548 633070505 /nfs/dbraw/zinc/07/05/05/633070505.db2.gz GXZQLJWLGVOJEE-LBPRGKRZSA-N 1 2 269.352 2.363 20 30 CEEDLO CCCCCCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000816530865 633407204 /nfs/dbraw/zinc/40/72/04/633407204.db2.gz XZYYTPIDESDCMG-INIZCTEOSA-N 1 2 295.471 2.243 20 30 CEEDLO CCCCCCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000816530865 633407213 /nfs/dbraw/zinc/40/72/13/633407213.db2.gz XZYYTPIDESDCMG-INIZCTEOSA-N 1 2 295.471 2.243 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000818739190 633983183 /nfs/dbraw/zinc/98/31/83/633983183.db2.gz RFRIQYHXTIRXIF-RDJZCZTQSA-N 1 2 298.386 2.227 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000818739190 633983184 /nfs/dbraw/zinc/98/31/84/633983184.db2.gz RFRIQYHXTIRXIF-RDJZCZTQSA-N 1 2 298.386 2.227 20 30 CEEDLO Clc1n[nH]c(C2CC2)c1C=NNCCCn1cc[nH+]c1 ZINC000901261365 634026115 /nfs/dbraw/zinc/02/61/15/634026115.db2.gz FTBQLABSXLSNLN-UHFFFAOYSA-N 1 2 292.774 2.151 20 30 CEEDLO CCCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819394211 634168504 /nfs/dbraw/zinc/16/85/04/634168504.db2.gz SSNRNVIWFDJMNQ-MRXNPFEDSA-N 1 2 275.396 2.257 20 30 CEEDLO CCCc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819394211 634168508 /nfs/dbraw/zinc/16/85/08/634168508.db2.gz SSNRNVIWFDJMNQ-MRXNPFEDSA-N 1 2 275.396 2.257 20 30 CEEDLO COC(=O)c1ccc(N=NCc2c[nH+]cn2C(C)C)nc1 ZINC000819809597 634269285 /nfs/dbraw/zinc/26/92/85/634269285.db2.gz VFKKCNHIMGPCNX-UHFFFAOYSA-N 1 2 287.323 2.092 20 30 CEEDLO CC(=[NH+]N[C@@H](C)c1ccncc1)c1csc(N)n1 ZINC000819815197 634271250 /nfs/dbraw/zinc/27/12/50/634271250.db2.gz NSNAGFPGLFDZFF-QMMMGPOBSA-N 1 2 261.354 2.195 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 ZINC000903000747 634932664 /nfs/dbraw/zinc/93/26/64/634932664.db2.gz IMQPQCWQBGCTKC-STQMWFEESA-N 1 2 256.365 2.233 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000823007125 635048080 /nfs/dbraw/zinc/04/80/80/635048080.db2.gz UJENVMXGSCUTDJ-MRXNPFEDSA-N 1 2 265.316 2.002 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@H+]2Cc3cccnc3C2)cc1 ZINC000823007125 635048082 /nfs/dbraw/zinc/04/80/82/635048082.db2.gz UJENVMXGSCUTDJ-MRXNPFEDSA-N 1 2 265.316 2.002 20 30 CEEDLO CO[C@]1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCSC1 ZINC000903315854 635063434 /nfs/dbraw/zinc/06/34/34/635063434.db2.gz KLXJBMLPQKWJTA-NHYWBVRUSA-N 1 2 292.404 2.437 20 30 CEEDLO CC(C)C#CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000823559453 635214554 /nfs/dbraw/zinc/21/45/54/635214554.db2.gz KWPHOWMKEGDJQQ-UHFFFAOYSA-N 1 2 299.418 2.032 20 30 CEEDLO C=CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1ccncc1 ZINC000823887759 635301702 /nfs/dbraw/zinc/30/17/02/635301702.db2.gz QDGFBKYRLPPBLQ-AWEZNQCLSA-N 1 2 271.368 2.408 20 30 CEEDLO N#CCC[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824301713 635400300 /nfs/dbraw/zinc/40/03/00/635400300.db2.gz CIAXXLWQQXKFFE-UHFFFAOYSA-N 1 2 283.331 2.375 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268660 635538348 /nfs/dbraw/zinc/53/83/48/635538348.db2.gz YDSHNMZVPKSAQX-KOLCDFICSA-N 1 2 272.308 2.081 20 30 CEEDLO Oc1ccccc1/C=[NH+]\CC1(C2(O)CCOCC2)CC1 ZINC000905002737 635773795 /nfs/dbraw/zinc/77/37/95/635773795.db2.gz LHIXLSQBAZYQMS-BOPFTXTBSA-N 1 2 275.348 2.133 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H]2CC(=O)N(C)C2)c1 ZINC000905002449 635773814 /nfs/dbraw/zinc/77/38/14/635773814.db2.gz PCWWFNFHHIKGOF-YXHQGMJNSA-N 1 2 290.363 2.078 20 30 CEEDLO CCn1nc(C)c(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)n1 ZINC000905088080 635801532 /nfs/dbraw/zinc/80/15/32/635801532.db2.gz UQXYMLKIGIXHPP-CMDGGOBGSA-N 1 2 295.346 2.459 20 30 CEEDLO C#CC1CCN(c2cc(NCCCC)[nH+]c(N)n2)CC1 ZINC000826710860 635824390 /nfs/dbraw/zinc/82/43/90/635824390.db2.gz SOFYSBCXFFDLMJ-UHFFFAOYSA-N 1 2 273.384 2.120 20 30 CEEDLO C#CC1CCN(c2cc(NCCCC)nc(N)[nH+]2)CC1 ZINC000826710860 635824397 /nfs/dbraw/zinc/82/43/97/635824397.db2.gz SOFYSBCXFFDLMJ-UHFFFAOYSA-N 1 2 273.384 2.120 20 30 CEEDLO C#CC1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000826716159 635826319 /nfs/dbraw/zinc/82/63/19/635826319.db2.gz VCVLGKCRYHIRKQ-UHFFFAOYSA-N 1 2 256.353 2.148 20 30 CEEDLO C#CC1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000826716159 635826327 /nfs/dbraw/zinc/82/63/27/635826327.db2.gz VCVLGKCRYHIRKQ-UHFFFAOYSA-N 1 2 256.353 2.148 20 30 CEEDLO C#CC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000826715353 635826707 /nfs/dbraw/zinc/82/67/07/635826707.db2.gz OPUJIKRPOXXJNW-UHFFFAOYSA-N 1 2 283.379 2.431 20 30 CEEDLO C=CC[C@@H]([NH2+]CC(C)(C)C(O)(CC)CC)C(=O)OC ZINC000905776885 636434465 /nfs/dbraw/zinc/43/44/65/636434465.db2.gz CLKKDYPPVOSUNJ-GFCCVEGCSA-N 1 2 271.401 2.271 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1cccc(OCC)c1)C(=O)OC ZINC000905768964 636455261 /nfs/dbraw/zinc/45/52/61/636455261.db2.gz YGVMIHKEXFWUEU-OAHLLOKOSA-N 1 2 277.364 2.335 20 30 CEEDLO Cc1[nH]c(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)[nH+]c1C ZINC000906946362 636907221 /nfs/dbraw/zinc/90/72/21/636907221.db2.gz RMAUZBRKWAQEPB-SEEARECTSA-N 1 2 286.379 2.363 20 30 CEEDLO C#CC1CC[NH+](Cc2nnnn2-c2c(C)cccc2C)CC1 ZINC000830321291 637034989 /nfs/dbraw/zinc/03/49/89/637034989.db2.gz FQRVASCEZRRRAO-UHFFFAOYSA-N 1 2 295.390 2.124 20 30 CEEDLO Cc1cc(C)c(C(=O)NCC2(CC#N)CC2)c(C)[nH+]1 ZINC000907934474 637185498 /nfs/dbraw/zinc/18/54/98/637185498.db2.gz BKWXOGGIKBSURI-UHFFFAOYSA-N 1 2 257.337 2.431 20 30 CEEDLO C=C1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000830994604 637212588 /nfs/dbraw/zinc/21/25/88/637212588.db2.gz PPDYOASEMCRLGW-AWEZNQCLSA-N 1 2 273.380 2.308 20 30 CEEDLO C[C@H](C#N)OCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000802730354 637333003 /nfs/dbraw/zinc/33/30/03/637333003.db2.gz VXARTZNZBHUJAQ-SNVBAGLBSA-N 1 2 281.743 2.310 20 30 CEEDLO C#CCCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000836356842 638607096 /nfs/dbraw/zinc/60/70/96/638607096.db2.gz FQWLHSGNRBNPHN-UHFFFAOYSA-N 1 2 259.353 2.301 20 30 CEEDLO C[C@H](CC(=O)NCCC#C[Si](C)(C)C)n1cc[nH+]c1 ZINC000912330241 638641240 /nfs/dbraw/zinc/64/12/40/638641240.db2.gz KTQBIQCVLJTASS-CYBMUJFWSA-N 1 2 277.444 2.221 20 30 CEEDLO C#CCSCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836627989 638678297 /nfs/dbraw/zinc/67/82/97/638678297.db2.gz CGPURBMQSQCBKX-UHFFFAOYSA-N 1 2 277.393 2.495 20 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ZINC000769978110 642151606 /nfs/dbraw/zinc/15/16/06/642151606.db2.gz RPDYASADBCVRHR-GFCCVEGCSA-N 1 2 257.312 2.465 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000848923370 642195774 /nfs/dbraw/zinc/19/57/74/642195774.db2.gz CPOIUDHOECSPHF-NSHDSACASA-N 1 2 296.212 2.336 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2c(Br)c(C)nn2C)C1 ZINC000848923370 642195776 /nfs/dbraw/zinc/19/57/76/642195776.db2.gz CPOIUDHOECSPHF-NSHDSACASA-N 1 2 296.212 2.336 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncoc2CC)CC1 ZINC001002485917 642790894 /nfs/dbraw/zinc/79/08/94/642790894.db2.gz VCWBKQHDAQITFQ-UHFFFAOYSA-N 1 2 297.786 2.184 20 30 CEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCOC(F)F)CC1 ZINC000851845065 643188221 /nfs/dbraw/zinc/18/82/21/643188221.db2.gz FZZSUNXKDUXOPE-AWEZNQCLSA-N 1 2 295.333 2.108 20 30 CEEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000851856027 643194416 /nfs/dbraw/zinc/19/44/16/643194416.db2.gz FAWXLACGGWWLEM-UHFFFAOYSA-N 1 2 269.348 2.158 20 30 CEEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000851856027 643194420 /nfs/dbraw/zinc/19/44/20/643194420.db2.gz FAWXLACGGWWLEM-UHFFFAOYSA-N 1 2 269.348 2.158 20 30 CEEDLO C#CCOCCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000851863952 643198088 /nfs/dbraw/zinc/19/80/88/643198088.db2.gz VTRQOSRTIWIDMV-HNNXBMFYSA-N 1 2 290.382 2.154 20 30 CEEDLO CC[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004345648 643241917 /nfs/dbraw/zinc/24/19/17/643241917.db2.gz IULXNRJPBWTGQP-ZFWWWQNUSA-N 1 2 277.412 2.259 20 30 CEEDLO CC[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004345648 643241920 /nfs/dbraw/zinc/24/19/20/643241920.db2.gz IULXNRJPBWTGQP-ZFWWWQNUSA-N 1 2 277.412 2.259 20 30 CEEDLO CCCn1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)nn1 ZINC000922762210 643250038 /nfs/dbraw/zinc/25/00/38/643250038.db2.gz WCPMIEHQWPMLTC-UHFFFAOYSA-N 1 2 269.352 2.158 20 30 CEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC001004394102 643267940 /nfs/dbraw/zinc/26/79/40/643267940.db2.gz GFPUDFKOSSTKJB-JFDDCEBESA-N 1 2 287.407 2.179 20 30 CEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC001004394102 643267946 /nfs/dbraw/zinc/26/79/46/643267946.db2.gz GFPUDFKOSSTKJB-JFDDCEBESA-N 1 2 287.407 2.179 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000852318978 643392941 /nfs/dbraw/zinc/39/29/41/643392941.db2.gz CYZYGTAXAJRAAV-NSHDSACASA-N 1 2 293.392 2.314 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC000852318978 643392947 /nfs/dbraw/zinc/39/29/47/643392947.db2.gz CYZYGTAXAJRAAV-NSHDSACASA-N 1 2 293.392 2.314 20 30 CEEDLO C#CCC1(NC(=O)NCc2cc(C)[nH+]c(C)c2)CCC1 ZINC000922926787 643456424 /nfs/dbraw/zinc/45/64/24/643456424.db2.gz YTKCGYAALQSGML-UHFFFAOYSA-N 1 2 271.364 2.444 20 30 CEEDLO C=C(C)CONC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923083543 643550700 /nfs/dbraw/zinc/55/07/00/643550700.db2.gz PWFMQVOAUIVYRK-UHFFFAOYSA-N 1 2 290.367 2.175 20 30 CEEDLO C=CC[NH+]1CCC(N(C)C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC001006016124 643635367 /nfs/dbraw/zinc/63/53/67/643635367.db2.gz KREVOLCMXBNGOJ-UHFFFAOYSA-N 1 2 290.411 2.256 20 30 CEEDLO C#Cc1cccnc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000853259635 643724978 /nfs/dbraw/zinc/72/49/78/643724978.db2.gz LSLWBFODGLFHDI-UHFFFAOYSA-N 1 2 298.415 2.232 20 30 CEEDLO C#Cc1cccnc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000853259635 643724981 /nfs/dbraw/zinc/72/49/81/643724981.db2.gz LSLWBFODGLFHDI-UHFFFAOYSA-N 1 2 298.415 2.232 20 30 CEEDLO NC(Cc1cccnc1)=[NH+]OCCc1ccc2c(c1)CCO2 ZINC000187183368 643749198 /nfs/dbraw/zinc/74/91/98/643749198.db2.gz JAJNBSRONRVWTA-UHFFFAOYSA-N 1 2 297.358 2.091 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cn2nnn(CC=C)c2=S)C1 ZINC000853536917 643806527 /nfs/dbraw/zinc/80/65/27/643806527.db2.gz KRSCUAYXZXDFNT-GFCCVEGCSA-N 1 2 279.413 2.241 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nnn(CC=C)c2=S)C1 ZINC000853536917 643806531 /nfs/dbraw/zinc/80/65/31/643806531.db2.gz KRSCUAYXZXDFNT-GFCCVEGCSA-N 1 2 279.413 2.241 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1=S ZINC000853588119 643824971 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C=CCC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)[C@H]1CCCO1 ZINC000883233171 652408916 /nfs/dbraw/zinc/40/89/16/652408916.db2.gz BIMKAJATFGDANQ-CHWSQXEVSA-N 1 2 293.415 2.032 20 30 CEEDLO C#CC1(NC(=O)NCc2c[nH+]c(C)cc2C)CCCC1 ZINC000883735108 652547039 /nfs/dbraw/zinc/54/70/39/652547039.db2.gz RZMIVXPAOZCFMM-UHFFFAOYSA-N 1 2 271.364 2.444 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000885595314 653027321 /nfs/dbraw/zinc/02/73/21/653027321.db2.gz CHMUTYXQXQLXQY-DOMZBBRYSA-N 1 2 284.359 2.046 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000885595314 653027324 /nfs/dbraw/zinc/02/73/24/653027324.db2.gz CHMUTYXQXQLXQY-DOMZBBRYSA-N 1 2 284.359 2.046 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC001088535500 806356659 /nfs/dbraw/zinc/35/66/59/806356659.db2.gz XRVJKAGPVFKTOR-OLZOCXBDSA-N 1 2 295.814 2.279 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC001088535500 806356667 /nfs/dbraw/zinc/35/66/67/806356667.db2.gz XRVJKAGPVFKTOR-OLZOCXBDSA-N 1 2 295.814 2.279 20 30 CEEDLO C=CCC1(C(=O)NC[C@@H](C)Nc2cc[nH+]c(C)n2)CCC1 ZINC001098245774 806507956 /nfs/dbraw/zinc/50/79/56/806507956.db2.gz CAHUNXDCTIOFNW-GFCCVEGCSA-N 1 2 288.395 2.448 20 30 CEEDLO C[N@H+](CCC#N)Cc1cccc(-c2cncnc2)c1 ZINC001137763364 806634996 /nfs/dbraw/zinc/63/49/96/806634996.db2.gz MLXBSCLAJIPHKR-UHFFFAOYSA-N 1 2 252.321 2.489 20 30 CEEDLO C[N@@H+](CCC#N)Cc1cccc(-c2cncnc2)c1 ZINC001137763364 806634998 /nfs/dbraw/zinc/63/49/98/806634998.db2.gz MLXBSCLAJIPHKR-UHFFFAOYSA-N 1 2 252.321 2.489 20 30 CEEDLO C=C/C(C)=C/CC(=O)NCC[N@@H+](C)CC(=C)Cl ZINC001266309505 802426221 /nfs/dbraw/zinc/42/62/21/802426221.db2.gz ZUIKAGZUPBALIW-IZZDOVSWSA-N 1 2 256.777 2.309 20 30 CEEDLO C=C/C(C)=C/CC(=O)NCC[N@H+](C)CC(=C)Cl ZINC001266309505 802426223 /nfs/dbraw/zinc/42/62/23/802426223.db2.gz ZUIKAGZUPBALIW-IZZDOVSWSA-N 1 2 256.777 2.309 20 30 CEEDLO Cc1cnc(N2CCC(n3cc[nH+]c3)CC2)c(C#N)c1 ZINC001167124105 802512244 /nfs/dbraw/zinc/51/22/44/802512244.db2.gz VGQMRGFRBAPKDG-UHFFFAOYSA-N 1 2 267.336 2.300 20 30 CEEDLO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001266562867 802720183 /nfs/dbraw/zinc/72/01/83/802720183.db2.gz RROFGXWHTGMYDU-SNVBAGLBSA-N 1 2 284.297 2.291 20 30 CEEDLO C=C(C)C[N@H+](CCC)CCNC(=O)C(F)C(F)(F)F ZINC001266562867 802720174 /nfs/dbraw/zinc/72/01/74/802720174.db2.gz RROFGXWHTGMYDU-SNVBAGLBSA-N 1 2 284.297 2.291 20 30 CEEDLO C=C(C)C[N@@H+](CCC)CCNC(=O)C(F)C(F)(F)F ZINC001266562867 802720179 /nfs/dbraw/zinc/72/01/79/802720179.db2.gz RROFGXWHTGMYDU-SNVBAGLBSA-N 1 2 284.297 2.291 20 30 CEEDLO C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001266562867 802720182 /nfs/dbraw/zinc/72/01/82/802720182.db2.gz RROFGXWHTGMYDU-SNVBAGLBSA-N 1 2 284.297 2.291 20 30 CEEDLO C=C(Cl)C[N@H+](CCNC(=O)C=C1CCC1)C1CC1 ZINC001266588208 802747747 /nfs/dbraw/zinc/74/77/47/802747747.db2.gz KRBPICHKDBVTGJ-UHFFFAOYSA-N 1 2 268.788 2.430 20 30 CEEDLO C=C(Cl)C[N@@H+](CCNC(=O)C=C1CCC1)C1CC1 ZINC001266588208 802747750 /nfs/dbraw/zinc/74/77/50/802747750.db2.gz KRBPICHKDBVTGJ-UHFFFAOYSA-N 1 2 268.788 2.430 20 30 CEEDLO Cn1ncc(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085477 803197012 /nfs/dbraw/zinc/19/70/12/803197012.db2.gz HQMWVSLLJFPYAF-UHFFFAOYSA-N 1 2 264.292 2.425 20 30 CEEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001267261618 803305161 /nfs/dbraw/zinc/30/51/61/803305161.db2.gz WERZPIFSGXTVIA-ZDUSSCGKSA-N 1 2 277.368 2.030 20 30 CEEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001267261618 803305168 /nfs/dbraw/zinc/30/51/68/803305168.db2.gz WERZPIFSGXTVIA-ZDUSSCGKSA-N 1 2 277.368 2.030 20 30 CEEDLO N#Cc1ccc(CC2CC[NH+](Cc3cnn[nH]3)CC2)cc1 ZINC001203206544 803323441 /nfs/dbraw/zinc/32/34/41/803323441.db2.gz UKWHUPRWTKWHDU-UHFFFAOYSA-N 1 2 281.363 2.131 20 30 CEEDLO N#Cc1ccc(CC2CC[NH+](Cc3c[nH]nn3)CC2)cc1 ZINC001203206544 803323447 /nfs/dbraw/zinc/32/34/47/803323447.db2.gz UKWHUPRWTKWHDU-UHFFFAOYSA-N 1 2 281.363 2.131 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038281624 803372241 /nfs/dbraw/zinc/37/22/41/803372241.db2.gz UGSBZVISZNKZRI-LBPRGKRZSA-N 1 2 276.767 2.086 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038281624 803372247 /nfs/dbraw/zinc/37/22/47/803372247.db2.gz UGSBZVISZNKZRI-LBPRGKRZSA-N 1 2 276.767 2.086 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001038294783 803449186 /nfs/dbraw/zinc/44/91/86/803449186.db2.gz AVRAFLQXAIVJBB-CYBMUJFWSA-N 1 2 276.405 2.192 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001038294783 803449189 /nfs/dbraw/zinc/44/91/89/803449189.db2.gz AVRAFLQXAIVJBB-CYBMUJFWSA-N 1 2 276.405 2.192 20 30 CEEDLO CC[C@@H]1C[NH+](Cc2cncc(C#N)c2)C[C@@H](CC)O1 ZINC000721624220 803537343 /nfs/dbraw/zinc/53/73/43/803537343.db2.gz OUNSMUAYJDPLMW-HUUCEWRRSA-N 1 2 259.353 2.343 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](CC)[NH2+]Cc1csnn1 ZINC001267818785 803754924 /nfs/dbraw/zinc/75/49/24/803754924.db2.gz OIDOSESSCHGZAV-FZMZJTMJSA-N 1 2 296.440 2.125 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csnc1C ZINC001027835583 804286780 /nfs/dbraw/zinc/28/67/80/804286780.db2.gz GCTSKBCYIBODDA-LLVKDONJSA-N 1 2 299.827 2.398 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csnc1C ZINC001027835583 804286789 /nfs/dbraw/zinc/28/67/89/804286789.db2.gz GCTSKBCYIBODDA-LLVKDONJSA-N 1 2 299.827 2.398 20 30 CEEDLO Cc1ccc(C#N)c(NCc2nc(C[NH+](C)C)cs2)n1 ZINC000722380372 804402847 /nfs/dbraw/zinc/40/28/47/804402847.db2.gz MDBMVUJNKCQJEO-UHFFFAOYSA-N 1 2 287.392 2.392 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001028092432 804449209 /nfs/dbraw/zinc/44/92/09/804449209.db2.gz SESVEIFSUIRSKL-ZOBORPQBSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001028092432 804449214 /nfs/dbraw/zinc/44/92/14/804449214.db2.gz SESVEIFSUIRSKL-ZOBORPQBSA-N 1 2 282.815 2.366 20 30 CEEDLO C[NH+](C)Cc1csc(CNc2ncccc2C#N)n1 ZINC000722408354 804458868 /nfs/dbraw/zinc/45/88/68/804458868.db2.gz ISNALWKSTYXERK-UHFFFAOYSA-N 1 2 273.365 2.083 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001038960234 804604636 /nfs/dbraw/zinc/60/46/36/804604636.db2.gz KWXBUUXVKNWAQW-OAHLLOKOSA-N 1 2 293.370 2.062 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001038960234 804604641 /nfs/dbraw/zinc/60/46/41/804604641.db2.gz KWXBUUXVKNWAQW-OAHLLOKOSA-N 1 2 293.370 2.062 20 30 CEEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3cccnc3)CC2)c1 ZINC001139873658 804693838 /nfs/dbraw/zinc/69/38/38/804693838.db2.gz ZOSVILYFHFPXBE-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)CCCCC(C)C)C1 ZINC001268462981 804707071 /nfs/dbraw/zinc/70/70/71/804707071.db2.gz KTNJGCYFEOCLCM-UHFFFAOYSA-N 1 2 250.386 2.027 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001028314355 804710382 /nfs/dbraw/zinc/71/03/82/804710382.db2.gz AIIMNEBLSXEASP-GFCCVEGCSA-N 1 2 281.787 2.270 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001028314355 804710385 /nfs/dbraw/zinc/71/03/85/804710385.db2.gz AIIMNEBLSXEASP-GFCCVEGCSA-N 1 2 281.787 2.270 20 30 CEEDLO C=CC(C)(C)C(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001127038282 806984858 /nfs/dbraw/zinc/98/48/58/806984858.db2.gz BRAHNEONTRWNRT-UHFFFAOYSA-N 1 2 288.395 2.399 20 30 CEEDLO C=C1O[C@H](CC)C(=O)C1Oc1cccnc1C[NH+](C)C ZINC001225279051 804843382 /nfs/dbraw/zinc/84/33/82/804843382.db2.gz UCBBRWSJLLJACL-GFCCVEGCSA-N 1 2 276.336 2.131 20 30 CEEDLO C=C(C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(CC)o1 ZINC001268646411 804907287 /nfs/dbraw/zinc/90/72/87/804907287.db2.gz GGYDGUBGPZLFSB-VXGBXAGGSA-N 1 2 294.399 2.144 20 30 CEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001269221040 805089571 /nfs/dbraw/zinc/08/95/71/805089571.db2.gz FYDCYCNTYCKALV-GFCCVEGCSA-N 1 2 279.409 2.142 20 30 CEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001269221040 805089581 /nfs/dbraw/zinc/08/95/81/805089581.db2.gz FYDCYCNTYCKALV-GFCCVEGCSA-N 1 2 279.409 2.142 20 30 CEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001269222261 805091170 /nfs/dbraw/zinc/09/11/70/805091170.db2.gz VRLSRCNWVDOZIO-UONOGXRCSA-N 1 2 288.395 2.037 20 30 CEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001269222261 805091181 /nfs/dbraw/zinc/09/11/81/805091181.db2.gz VRLSRCNWVDOZIO-UONOGXRCSA-N 1 2 288.395 2.037 20 30 CEEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001269222260 805091661 /nfs/dbraw/zinc/09/16/61/805091661.db2.gz VRLSRCNWVDOZIO-KGLIPLIRSA-N 1 2 288.395 2.037 20 30 CEEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001269222260 805091670 /nfs/dbraw/zinc/09/16/70/805091670.db2.gz VRLSRCNWVDOZIO-KGLIPLIRSA-N 1 2 288.395 2.037 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc[nH]2)C1 ZINC001269233034 805095505 /nfs/dbraw/zinc/09/55/05/805095505.db2.gz CJYOXZKSYBDOEF-GEXIGZQTSA-N 1 2 293.798 2.313 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc[nH]2)C1 ZINC001269233034 805095514 /nfs/dbraw/zinc/09/55/14/805095514.db2.gz CJYOXZKSYBDOEF-GEXIGZQTSA-N 1 2 293.798 2.313 20 30 CEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001269240138 805098914 /nfs/dbraw/zinc/09/89/14/805098914.db2.gz HUPHRFIIJSOIDU-HNNXBMFYSA-N 1 2 287.407 2.374 20 30 CEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001269240138 805098925 /nfs/dbraw/zinc/09/89/25/805098925.db2.gz HUPHRFIIJSOIDU-HNNXBMFYSA-N 1 2 287.407 2.374 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001269320893 805128238 /nfs/dbraw/zinc/12/82/38/805128238.db2.gz LAMCLCAZYKHYRU-YOEHRIQHSA-N 1 2 284.403 2.176 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001269320893 805128241 /nfs/dbraw/zinc/12/82/41/805128241.db2.gz LAMCLCAZYKHYRU-YOEHRIQHSA-N 1 2 284.403 2.176 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001269320890 805129106 /nfs/dbraw/zinc/12/91/06/805129106.db2.gz LAMCLCAZYKHYRU-PBHICJAKSA-N 1 2 284.403 2.176 20 30 CEEDLO 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ZINC001018190410 810594574 /nfs/dbraw/zinc/59/45/74/810594574.db2.gz WXOKDVFPUVLNMW-NXHRZFHOSA-N 1 2 296.414 2.407 20 30 CEEDLO CC[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC ZINC001172290686 815382906 /nfs/dbraw/zinc/38/29/06/815382906.db2.gz RGQWTIWPSRRJEF-FZMZJTMJSA-N 1 2 260.337 2.030 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H](C)CCO[C@@H](C)CC)C(=O)OC ZINC001172340944 815396775 /nfs/dbraw/zinc/39/67/75/815396775.db2.gz YBZJZINBXGHIOH-RWMBFGLXSA-N 1 2 257.374 2.287 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCCCC2 ZINC001038374262 810829887 /nfs/dbraw/zinc/82/98/87/810829887.db2.gz OAOJQFICJNGGJA-INIZCTEOSA-N 1 2 296.414 2.393 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCCCC2 ZINC001038374262 810829891 /nfs/dbraw/zinc/82/98/91/810829891.db2.gz OAOJQFICJNGGJA-INIZCTEOSA-N 1 2 296.414 2.393 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001085583517 810840431 /nfs/dbraw/zinc/84/04/31/810840431.db2.gz JYHROJPQPNSBIB-NSHDSACASA-N 1 2 280.368 2.057 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001085583517 810840435 /nfs/dbraw/zinc/84/04/35/810840435.db2.gz JYHROJPQPNSBIB-NSHDSACASA-N 1 2 280.368 2.057 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001038645822 810876223 /nfs/dbraw/zinc/87/62/23/810876223.db2.gz JUIKZNPMTWHMBH-OAHLLOKOSA-N 1 2 293.370 2.062 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001038645822 810876230 /nfs/dbraw/zinc/87/62/30/810876230.db2.gz JUIKZNPMTWHMBH-OAHLLOKOSA-N 1 2 293.370 2.062 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1F ZINC001038672911 810884707 /nfs/dbraw/zinc/88/47/07/810884707.db2.gz AZTMIKZAFJLKTF-SECBINFHSA-N 1 2 298.720 2.056 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1F ZINC001038672911 810884711 /nfs/dbraw/zinc/88/47/11/810884711.db2.gz AZTMIKZAFJLKTF-SECBINFHSA-N 1 2 298.720 2.056 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)c(F)c1 ZINC001038692159 810889854 /nfs/dbraw/zinc/88/98/54/810889854.db2.gz KPJLUFSFTPKBDG-LLVKDONJSA-N 1 2 296.292 2.201 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)c(F)c1 ZINC001038692159 810889862 /nfs/dbraw/zinc/88/98/62/810889862.db2.gz KPJLUFSFTPKBDG-LLVKDONJSA-N 1 2 296.292 2.201 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085754303 810899861 /nfs/dbraw/zinc/89/98/61/810899861.db2.gz DFSYACVESZDSJW-CQSZACIVSA-N 1 2 290.411 2.085 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085754303 810899864 /nfs/dbraw/zinc/89/98/64/810899864.db2.gz DFSYACVESZDSJW-CQSZACIVSA-N 1 2 290.411 2.085 20 30 CEEDLO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085768576 810904021 /nfs/dbraw/zinc/90/40/21/810904021.db2.gz NSGZRWHEFYCGBF-JQHSSLGASA-N 1 2 296.414 2.227 20 30 CEEDLO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085768576 810904032 /nfs/dbraw/zinc/90/40/32/810904032.db2.gz NSGZRWHEFYCGBF-JQHSSLGASA-N 1 2 296.414 2.227 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001038754964 810908374 /nfs/dbraw/zinc/90/83/74/810908374.db2.gz VJBMHBGGDQIZLV-ZDUSSCGKSA-N 1 2 288.391 2.323 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)oc1C ZINC001038754964 810908377 /nfs/dbraw/zinc/90/83/77/810908377.db2.gz VJBMHBGGDQIZLV-ZDUSSCGKSA-N 1 2 288.391 2.323 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1C ZINC001085798037 810918034 /nfs/dbraw/zinc/91/80/34/810918034.db2.gz GZXQNRAQSICLPU-CQSZACIVSA-N 1 2 290.794 2.428 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1C ZINC001085798037 810918041 /nfs/dbraw/zinc/91/80/41/810918041.db2.gz GZXQNRAQSICLPU-CQSZACIVSA-N 1 2 290.794 2.428 20 30 CEEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC001085833108 810935073 /nfs/dbraw/zinc/93/50/73/810935073.db2.gz ATJGPWVUQRBRNG-CYBMUJFWSA-N 1 2 290.411 2.256 20 30 CEEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC001085833108 810935077 /nfs/dbraw/zinc/93/50/77/810935077.db2.gz ATJGPWVUQRBRNG-CYBMUJFWSA-N 1 2 290.411 2.256 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001085860646 810947228 /nfs/dbraw/zinc/94/72/28/810947228.db2.gz FBTLMJRSGBMGPA-CSLYMUCUSA-N 1 2 288.435 2.369 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001085860646 810947233 /nfs/dbraw/zinc/94/72/33/810947233.db2.gz FBTLMJRSGBMGPA-CSLYMUCUSA-N 1 2 288.435 2.369 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940979 810976217 /nfs/dbraw/zinc/97/62/17/810976217.db2.gz UUMVKNCTMNCOJQ-CQSZACIVSA-N 1 2 276.767 2.120 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940979 810976223 /nfs/dbraw/zinc/97/62/23/810976223.db2.gz UUMVKNCTMNCOJQ-CQSZACIVSA-N 1 2 276.767 2.120 20 30 CEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C)C1 ZINC001122440377 815412016 /nfs/dbraw/zinc/41/20/16/815412016.db2.gz BEKXLNBRDNDPOF-UONOGXRCSA-N 1 2 289.427 2.467 20 30 CEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C)C1 ZINC001122440377 815412019 /nfs/dbraw/zinc/41/20/19/815412019.db2.gz BEKXLNBRDNDPOF-UONOGXRCSA-N 1 2 289.427 2.467 20 30 CEEDLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+][C@@H](C)CCCC#N ZINC001172487381 815429061 /nfs/dbraw/zinc/42/90/61/815429061.db2.gz GYQIWNNRBBXXHP-WFASDCNBSA-N 1 2 290.363 2.148 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890904 811208238 /nfs/dbraw/zinc/20/82/38/811208238.db2.gz KUZPSBPJHYRVAR-QWRGUYRKSA-N 1 2 292.757 2.317 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890904 811208242 /nfs/dbraw/zinc/20/82/42/811208242.db2.gz KUZPSBPJHYRVAR-QWRGUYRKSA-N 1 2 292.757 2.317 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)c2cccs2)C1 ZINC001043521764 811381738 /nfs/dbraw/zinc/38/17/38/811381738.db2.gz NMDYSQQLWANJSU-UHFFFAOYSA-N 1 2 290.432 2.192 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001043968781 811420923 /nfs/dbraw/zinc/42/09/23/811420923.db2.gz HSAFCWQRCKMEMP-UHFFFAOYSA-N 1 2 276.355 2.466 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001043998586 811425025 /nfs/dbraw/zinc/42/50/25/811425025.db2.gz ILIKOLJWNGLCAN-UHFFFAOYSA-N 1 2 283.375 2.272 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001044121216 811441060 /nfs/dbraw/zinc/44/10/60/811441060.db2.gz LQASEZLEOVWSPF-GOEBONIOSA-N 1 2 264.413 2.387 20 30 CEEDLO CCOC(=O)c1nc2c(o1)CC[N@@H+]([C@H](C)CCCC#N)C2 ZINC001172497780 815454234 /nfs/dbraw/zinc/45/42/34/815454234.db2.gz FTEJQQRXWKAOHQ-LLVKDONJSA-N 1 2 291.351 2.292 20 30 CEEDLO CCOC(=O)c1nc2c(o1)CC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172497780 815454237 /nfs/dbraw/zinc/45/42/37/815454237.db2.gz FTEJQQRXWKAOHQ-LLVKDONJSA-N 1 2 291.351 2.292 20 30 CEEDLO N#Cc1ccccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212668386 815459602 /nfs/dbraw/zinc/45/96/02/815459602.db2.gz WGIBQPKCDLSMPW-UHFFFAOYSA-N 1 2 279.343 2.478 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccccc2O)C1 ZINC001046147201 811695890 /nfs/dbraw/zinc/69/58/90/811695890.db2.gz MFNZRHKQAVYNRC-HNNXBMFYSA-N 1 2 294.782 2.339 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2O)C1 ZINC001046147201 811695894 /nfs/dbraw/zinc/69/58/94/811695894.db2.gz MFNZRHKQAVYNRC-HNNXBMFYSA-N 1 2 294.782 2.339 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2oc(C)nc2C)C1 ZINC001046215633 811712957 /nfs/dbraw/zinc/71/29/57/811712957.db2.gz UBXHVVXEKMULGM-AWEZNQCLSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2oc(C)nc2C)C1 ZINC001046215633 811712968 /nfs/dbraw/zinc/71/29/68/811712968.db2.gz UBXHVVXEKMULGM-AWEZNQCLSA-N 1 2 297.786 2.238 20 30 CEEDLO N#C[C@H]1CCCC[N@@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169954496 811725700 /nfs/dbraw/zinc/72/57/00/811725700.db2.gz BKIHNRKIVXMIJD-CHWSQXEVSA-N 1 2 250.342 2.050 20 30 CEEDLO N#C[C@H]1CCCC[N@H+]1[C@@H]1CCCC2(C1)OCCO2 ZINC001169954496 811725705 /nfs/dbraw/zinc/72/57/05/811725705.db2.gz BKIHNRKIVXMIJD-CHWSQXEVSA-N 1 2 250.342 2.050 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246034 811850608 /nfs/dbraw/zinc/85/06/08/811850608.db2.gz MASHCLKCZLQRAI-RDBSUJKOSA-N 1 2 280.799 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246034 811850615 /nfs/dbraw/zinc/85/06/15/811850615.db2.gz MASHCLKCZLQRAI-RDBSUJKOSA-N 1 2 280.799 2.120 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109265717 811853279 /nfs/dbraw/zinc/85/32/79/811853279.db2.gz VIUDKDTUUNFUEU-LBPRGKRZSA-N 1 2 290.411 2.328 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096351619 811970196 /nfs/dbraw/zinc/97/01/96/811970196.db2.gz IKNJOBOHQDWSNX-CQSZACIVSA-N 1 2 288.395 2.063 20 30 CEEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](CC=C)CC2)cc1 ZINC001112843047 812086766 /nfs/dbraw/zinc/08/67/66/812086766.db2.gz LWLZAWJDYBTXKR-UHFFFAOYSA-N 1 2 298.386 2.033 20 30 CEEDLO C=CCC[C@H](C)[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001112867148 812089907 /nfs/dbraw/zinc/08/99/07/812089907.db2.gz FHHWLNZWLCZEGE-QWRGUYRKSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(F)F ZINC001049264397 812097617 /nfs/dbraw/zinc/09/76/17/812097617.db2.gz KUSBJEXZMLLBCT-ZJUUUORDSA-N 1 2 278.730 2.069 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(F)F ZINC001049264397 812097627 /nfs/dbraw/zinc/09/76/27/812097627.db2.gz KUSBJEXZMLLBCT-ZJUUUORDSA-N 1 2 278.730 2.069 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CCOC)CCCC2)CC1 ZINC001113703748 812302688 /nfs/dbraw/zinc/30/26/88/812302688.db2.gz KDNRMUHJFSTGRD-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(CC=C)CCCC2)CC1 ZINC001113744858 812310431 /nfs/dbraw/zinc/31/04/31/812310431.db2.gz QKSITXFMGSGWCB-UHFFFAOYSA-N 1 2 262.397 2.453 20 30 CEEDLO C=CCCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097094264 812326262 /nfs/dbraw/zinc/32/62/62/812326262.db2.gz MUJFRIIFHUQPNL-JOCQHMNTSA-N 1 2 274.368 2.200 20 30 CEEDLO CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001172752766 815525063 /nfs/dbraw/zinc/52/50/63/815525063.db2.gz UGBONTSLFUMCCY-DGCLKSJQSA-N 1 2 297.420 2.381 20 30 CEEDLO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172752766 815525068 /nfs/dbraw/zinc/52/50/68/815525068.db2.gz UGBONTSLFUMCCY-DGCLKSJQSA-N 1 2 297.420 2.381 20 30 CEEDLO CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172752766 815525071 /nfs/dbraw/zinc/52/50/71/815525071.db2.gz UGBONTSLFUMCCY-DGCLKSJQSA-N 1 2 297.420 2.381 20 30 CEEDLO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172752766 815525075 /nfs/dbraw/zinc/52/50/75/815525075.db2.gz UGBONTSLFUMCCY-DGCLKSJQSA-N 1 2 297.420 2.381 20 30 CEEDLO C=C1CC(C)(C(=O)NC[C@H](C)N(C)c2cc[nH+]c(C)n2)C1 ZINC001113863629 812415867 /nfs/dbraw/zinc/41/58/67/812415867.db2.gz XDKRZXXVYDEEKL-LBPRGKRZSA-N 1 2 288.395 2.082 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2C1 ZINC001054260293 812556706 /nfs/dbraw/zinc/55/67/06/812556706.db2.gz IRZUNRSPURLAFD-PIIMJCKOSA-N 1 2 294.398 2.298 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2C1 ZINC001054260293 812556709 /nfs/dbraw/zinc/55/67/09/812556709.db2.gz IRZUNRSPURLAFD-PIIMJCKOSA-N 1 2 294.398 2.298 20 30 CEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCC[C@H](OC)C1)C(=O)OCC ZINC001172924277 815547614 /nfs/dbraw/zinc/54/76/14/815547614.db2.gz UMBMDZHDYYGWDZ-GUIRCDHDSA-N 1 2 267.369 2.041 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCSC)CC[C@@H]1C ZINC001131780194 812727931 /nfs/dbraw/zinc/72/79/31/812727931.db2.gz NRJVMSMMLAHBNO-RYUDHWBXSA-N 1 2 290.860 2.461 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCSC)CC[C@@H]1C ZINC001131780194 812727935 /nfs/dbraw/zinc/72/79/35/812727935.db2.gz NRJVMSMMLAHBNO-RYUDHWBXSA-N 1 2 290.860 2.461 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COC(C)C)CC[C@@H]1C ZINC001131891148 812747522 /nfs/dbraw/zinc/74/75/22/812747522.db2.gz FLYSYOODMSJSLC-STQMWFEESA-N 1 2 288.819 2.133 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COC(C)C)CC[C@@H]1C ZINC001131891148 812747526 /nfs/dbraw/zinc/74/75/26/812747526.db2.gz FLYSYOODMSJSLC-STQMWFEESA-N 1 2 288.819 2.133 20 30 CEEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132398684 812840281 /nfs/dbraw/zinc/84/02/81/812840281.db2.gz JUILWVAIOGHWTO-UHFFFAOYSA-N 1 2 291.395 2.027 20 30 CEEDLO C=CCCC1(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC001133368565 813040350 /nfs/dbraw/zinc/04/03/50/813040350.db2.gz ANPUDUHABQDTKJ-ZDUSSCGKSA-N 1 2 291.395 2.496 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001133381101 813044121 /nfs/dbraw/zinc/04/41/21/813044121.db2.gz WEPMSCQHPFYFDD-ABAIWWIYSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001133382961 813044873 /nfs/dbraw/zinc/04/48/73/813044873.db2.gz DWOWQPRYKWCPAN-XHDPSFHLSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001133566068 813108272 /nfs/dbraw/zinc/10/82/72/813108272.db2.gz UBBCWHUNVKBUGN-UHFFFAOYSA-N 1 2 291.395 2.360 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(C)c[nH]2)CC[C@H]1C ZINC001071879882 813502805 /nfs/dbraw/zinc/50/28/05/813502805.db2.gz LQEURUBOBAERPJ-VXGBXAGGSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(C)c[nH]2)CC[C@H]1C ZINC001071879882 813502810 /nfs/dbraw/zinc/50/28/10/813502810.db2.gz LQEURUBOBAERPJ-VXGBXAGGSA-N 1 2 296.802 2.053 20 30 CEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(C)nc(F)c2)cc1 ZINC001170984807 813720750 /nfs/dbraw/zinc/72/07/50/813720750.db2.gz HMOACOBBHZNOEL-UHFFFAOYSA-N 1 2 287.294 2.353 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001073574003 813762154 /nfs/dbraw/zinc/76/21/54/813762154.db2.gz GYUDGKPTFDVVMY-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001073574003 813762159 /nfs/dbraw/zinc/76/21/59/813762159.db2.gz GYUDGKPTFDVVMY-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=C(Br)C[NH2+][C@@H](CO)c1ccccc1OC ZINC000390563070 813797992 /nfs/dbraw/zinc/79/79/92/813797992.db2.gz SLKIZVYVCXJWBY-NSHDSACASA-N 1 2 286.169 2.227 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141009 813808778 /nfs/dbraw/zinc/80/87/78/813808778.db2.gz PWQSLPCRJOBCHP-CVEARBPZSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141009 813808786 /nfs/dbraw/zinc/80/87/86/813808786.db2.gz PWQSLPCRJOBCHP-CVEARBPZSA-N 1 2 292.423 2.054 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(OC)c2Cl)CC1 ZINC001143371346 813857991 /nfs/dbraw/zinc/85/79/91/813857991.db2.gz PFJFAINMGUHXBK-UHFFFAOYSA-N 1 2 296.773 2.239 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1CO ZINC001143717960 813865152 /nfs/dbraw/zinc/86/51/52/813865152.db2.gz JCZGHFKJPWLHBX-LLVKDONJSA-N 1 2 250.729 2.168 20 30 CEEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1CO ZINC001143717960 813865160 /nfs/dbraw/zinc/86/51/60/813865160.db2.gz JCZGHFKJPWLHBX-LLVKDONJSA-N 1 2 250.729 2.168 20 30 CEEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001144074424 813949046 /nfs/dbraw/zinc/94/90/46/813949046.db2.gz NBTMEKFGEGDXDI-CHWSQXEVSA-N 1 2 299.296 2.088 20 30 CEEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001144074424 813949050 /nfs/dbraw/zinc/94/90/50/813949050.db2.gz NBTMEKFGEGDXDI-CHWSQXEVSA-N 1 2 299.296 2.088 20 30 CEEDLO COC(=O)C1([NH2+][C@H](C)Cc2cccc(C#N)c2)CCC1 ZINC001171179719 814060867 /nfs/dbraw/zinc/06/08/67/814060867.db2.gz XBHWSFBIHQUFCM-GFCCVEGCSA-N 1 2 272.348 2.175 20 30 CEEDLO C=C(C)CCC(=O)NCCN(CCC)c1cc[nH+]c(C)n1 ZINC001101190875 814232794 /nfs/dbraw/zinc/23/27/94/814232794.db2.gz BFUOHYJTSBZANQ-UHFFFAOYSA-N 1 2 290.411 2.474 20 30 CEEDLO C=CC(C)(C)CC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101810010 814319185 /nfs/dbraw/zinc/31/91/85/814319185.db2.gz JJEDLSRDFFOMSV-UHFFFAOYSA-N 1 2 276.384 2.258 20 30 CEEDLO CC[C@H]1C[NH+](Cc2cc(C#N)ccn2)C[C@H](CC)O1 ZINC001171318378 814519173 /nfs/dbraw/zinc/51/91/73/814519173.db2.gz BKSVMWSHOFTWCE-GJZGRUSLSA-N 1 2 259.353 2.343 20 30 CEEDLO COCC[N@H+](CCF)Cc1ccc(F)c(C#N)c1 ZINC000697073574 814644942 /nfs/dbraw/zinc/64/49/42/814644942.db2.gz CJKXUNUECFAJJC-UHFFFAOYSA-N 1 2 254.280 2.115 20 30 CEEDLO COCC[N@@H+](CCF)Cc1ccc(F)c(C#N)c1 ZINC000697073574 814644946 /nfs/dbraw/zinc/64/49/46/814644946.db2.gz CJKXUNUECFAJJC-UHFFFAOYSA-N 1 2 254.280 2.115 20 30 CEEDLO C=CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001112336967 814661424 /nfs/dbraw/zinc/66/14/24/814661424.db2.gz XCCQJBCHDXXFBV-OCCSQVGLSA-N 1 2 288.395 2.400 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1CCc2c(F)cccc2C1)C(=O)OC ZINC001171404509 814888696 /nfs/dbraw/zinc/88/86/96/814888696.db2.gz KQOADFOTYRFRTI-WFASDCNBSA-N 1 2 277.339 2.390 20 30 CEEDLO C=CCOC1CCC([N@@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001173326512 815675969 /nfs/dbraw/zinc/67/59/69/815675969.db2.gz IYIOHPLLFSHQHF-BPCQOVAHSA-N 1 2 275.339 2.202 20 30 CEEDLO C=CCOC1CCC([N@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001173326512 815675970 /nfs/dbraw/zinc/67/59/70/815675970.db2.gz IYIOHPLLFSHQHF-BPCQOVAHSA-N 1 2 275.339 2.202 20 30 CEEDLO COCCC[NH+]1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173339735 815682805 /nfs/dbraw/zinc/68/28/05/815682805.db2.gz RREJXJDNKNTFOZ-UHFFFAOYSA-N 1 2 279.428 2.113 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(C)c(F)c2F)CC1 ZINC001137969601 815711890 /nfs/dbraw/zinc/71/18/90/815711890.db2.gz ACJJPWXTNCJDRH-UHFFFAOYSA-N 1 2 264.319 2.024 20 30 CEEDLO C#Cc1cc(Nc2ccccc2NC(C)=O)cc[nH+]1 ZINC001173991261 815874599 /nfs/dbraw/zinc/87/45/99/815874599.db2.gz FJUYOYFZBCIFTJ-UHFFFAOYSA-N 1 2 251.289 2.187 20 30 CEEDLO COc1cc(F)ccc1[NH+]=C(NO)c1ccccc1N ZINC001174131239 815921164 /nfs/dbraw/zinc/92/11/64/815921164.db2.gz NSAFNYPMKFYFRD-UHFFFAOYSA-N 1 2 275.283 2.474 20 30 CEEDLO CCC(=O)Oc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001138966807 815938453 /nfs/dbraw/zinc/93/84/53/815938453.db2.gz UEZPINGWUKXQET-CYBMUJFWSA-N 1 2 258.321 2.347 20 30 CEEDLO CCC(=O)Oc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001138966807 815938454 /nfs/dbraw/zinc/93/84/54/815938454.db2.gz UEZPINGWUKXQET-CYBMUJFWSA-N 1 2 258.321 2.347 20 30 CEEDLO C[N@H+](CCC#N)Cc1ccc(N2CCC(O)CC2)s1 ZINC001139291477 816002439 /nfs/dbraw/zinc/00/24/39/816002439.db2.gz YNQPJXLBCAMRGE-UHFFFAOYSA-N 1 2 279.409 2.055 20 30 CEEDLO C[N@@H+](CCC#N)Cc1ccc(N2CCC(O)CC2)s1 ZINC001139291477 816002446 /nfs/dbraw/zinc/00/24/46/816002446.db2.gz YNQPJXLBCAMRGE-UHFFFAOYSA-N 1 2 279.409 2.055 20 30 CEEDLO N#C[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC001139490278 816034131 /nfs/dbraw/zinc/03/41/31/816034131.db2.gz JFRLIUDWXSYSRJ-HNNXBMFYSA-N 1 2 295.390 2.452 20 30 CEEDLO N#C[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC001139490278 816034135 /nfs/dbraw/zinc/03/41/35/816034135.db2.gz JFRLIUDWXSYSRJ-HNNXBMFYSA-N 1 2 295.390 2.452 20 30 CEEDLO Cn1ncc(Nc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC001174521980 816035313 /nfs/dbraw/zinc/03/53/13/816035313.db2.gz DPECRTIDACRKCU-UHFFFAOYSA-N 1 2 282.351 2.421 20 30 CEEDLO CCO[C@@H](C)n1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001174700876 816070912 /nfs/dbraw/zinc/07/09/12/816070912.db2.gz HKMIXNWAERWYHJ-JTQLQIEISA-N 1 2 289.339 2.077 20 30 CEEDLO N#Cc1ccc(F)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001139646278 816072564 /nfs/dbraw/zinc/07/25/64/816072564.db2.gz MWIANPKDIJNNEP-UHFFFAOYSA-N 1 2 260.312 2.310 20 30 CEEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](O)C1 ZINC001139690322 816086226 /nfs/dbraw/zinc/08/62/26/816086226.db2.gz UGOUNUISOBMNDX-LLVKDONJSA-N 1 2 250.729 2.168 20 30 CEEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001139690322 816086234 /nfs/dbraw/zinc/08/62/34/816086234.db2.gz UGOUNUISOBMNDX-LLVKDONJSA-N 1 2 250.729 2.168 20 30 CEEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(O)c1 ZINC001174976845 816111643 /nfs/dbraw/zinc/11/16/43/816111643.db2.gz DOETYEDJDRSDMB-UHFFFAOYSA-N 1 2 296.330 2.239 20 30 CEEDLO CN(C)c1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC001175250648 816159550 /nfs/dbraw/zinc/15/95/50/816159550.db2.gz UJFSATCCJBLJFW-OCCSQVGLSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC001175250648 816159552 /nfs/dbraw/zinc/15/95/52/816159552.db2.gz UJFSATCCJBLJFW-OCCSQVGLSA-N 1 2 258.369 2.272 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnc(Cl)nc2)CC1 ZINC001139992858 816161924 /nfs/dbraw/zinc/16/19/24/816161924.db2.gz XGJCHMHCNPZZLF-SNVBAGLBSA-N 1 2 250.733 2.256 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](Cc2cnc(Cl)nc2)CC1 ZINC001139992858 816161928 /nfs/dbraw/zinc/16/19/28/816161928.db2.gz XGJCHMHCNPZZLF-SNVBAGLBSA-N 1 2 250.733 2.256 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)cn1 ZINC001140543657 816283541 /nfs/dbraw/zinc/28/35/41/816283541.db2.gz QKEPCFWJIFIRLY-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOc3ccccc3C2)cn1 ZINC001140543657 816283544 /nfs/dbraw/zinc/28/35/44/816283544.db2.gz QKEPCFWJIFIRLY-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(O)c(C)c2)CC1 ZINC001140576452 816287926 /nfs/dbraw/zinc/28/79/26/816287926.db2.gz WRMUMARWIAGKAL-UHFFFAOYSA-N 1 2 290.363 2.141 20 30 CEEDLO COC(=O)c1cc(C#N)ccc1Nc1c[nH+]ccc1OC ZINC001176124533 816354394 /nfs/dbraw/zinc/35/43/94/816354394.db2.gz QKIHIPDFSHHEKF-UHFFFAOYSA-N 1 2 283.287 2.492 20 30 CEEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980205 816430113 /nfs/dbraw/zinc/43/01/13/816430113.db2.gz RFIIBQNATQYZEC-AWEZNQCLSA-N 1 2 264.332 2.489 20 30 CEEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980205 816430119 /nfs/dbraw/zinc/43/01/19/816430119.db2.gz RFIIBQNATQYZEC-AWEZNQCLSA-N 1 2 264.332 2.489 20 30 CEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncco1)C2 ZINC001141008624 816441016 /nfs/dbraw/zinc/44/10/16/816441016.db2.gz GKCDJEJANOWNTG-DZGCQCFKSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncco1)C2 ZINC001141008624 816441020 /nfs/dbraw/zinc/44/10/20/816441020.db2.gz GKCDJEJANOWNTG-DZGCQCFKSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CC[NH+]1CCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141112068 816475077 /nfs/dbraw/zinc/47/50/77/816475077.db2.gz NWCIMBCTCBRRNO-UHFFFAOYSA-N 1 2 296.827 2.159 20 30 CEEDLO N#CC1(CNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CCC1 ZINC001176967844 816500707 /nfs/dbraw/zinc/50/07/07/816500707.db2.gz XLYCFWXPQJWLRR-AWEZNQCLSA-N 1 2 298.390 2.108 20 30 CEEDLO N#Cc1ccnc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC001177613234 816593193 /nfs/dbraw/zinc/59/31/93/816593193.db2.gz 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/nfs/dbraw/zinc/27/24/36/345272436.db2.gz WJOKXOFCULOLBU-PSOPSSQASA-N 1 2 285.326 2.315 20 30 CEEDLO Cc1cc(N2CCC(O[C@H]3CCOC3)CC2)c(C#N)c[nH+]1 ZINC000591821206 345284351 /nfs/dbraw/zinc/28/43/51/345284351.db2.gz SCPZFXMTFGQXBW-HNNXBMFYSA-N 1 2 287.363 2.036 20 30 CEEDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)cn1 ZINC000591820898 345284530 /nfs/dbraw/zinc/28/45/30/345284530.db2.gz UXFXPWATFWPUDO-CQSZACIVSA-N 1 2 267.336 2.300 20 30 CEEDLO COc1cccc2c(N3CC[C@@](O)(CC#N)C3)cc[nH+]c12 ZINC000591974078 345308493 /nfs/dbraw/zinc/30/84/93/345308493.db2.gz HKTRFSXXXTZLNA-INIZCTEOSA-N 1 2 283.331 2.098 20 30 CEEDLO N#CCC[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000592429472 345351707 /nfs/dbraw/zinc/35/17/07/345351707.db2.gz LXYIVVQDTWDRRQ-RYUDHWBXSA-N 1 2 272.270 2.024 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000592122892 345326222 /nfs/dbraw/zinc/32/62/22/345326222.db2.gz SAKXSQLTSRURIE-HOTGVXAUSA-N 1 2 283.375 2.487 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000592122892 345326224 /nfs/dbraw/zinc/32/62/24/345326224.db2.gz SAKXSQLTSRURIE-HOTGVXAUSA-N 1 2 283.375 2.487 20 30 CEEDLO N#CCCOCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000592132959 345327711 /nfs/dbraw/zinc/32/77/11/345327711.db2.gz FANZKPZALZWDBM-UHFFFAOYSA-N 1 2 295.333 2.017 20 30 CEEDLO COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)ccc1Cl ZINC000592155078 345331579 /nfs/dbraw/zinc/33/15/79/345331579.db2.gz XNKDXVXMQIQDCS-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)ccc1Cl ZINC000592155078 345331580 /nfs/dbraw/zinc/33/15/80/345331580.db2.gz XNKDXVXMQIQDCS-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)N1CCCCC1)C2 ZINC000593123016 345444573 /nfs/dbraw/zinc/44/45/73/345444573.db2.gz SACNTOFLHRELHZ-UHFFFAOYSA-N 1 2 283.375 2.276 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)N1CCCCC1)C2 ZINC000593123016 345444575 /nfs/dbraw/zinc/44/45/75/345444575.db2.gz SACNTOFLHRELHZ-UHFFFAOYSA-N 1 2 283.375 2.276 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCCCCC1 ZINC000593154505 345447698 /nfs/dbraw/zinc/44/76/98/345447698.db2.gz YNSMPOSYXOEESK-HNNXBMFYSA-N 1 2 265.401 2.307 20 30 CEEDLO Cc1cc(N[C@@H](C2CC2)C2CCOCC2)c(C#N)c[nH+]1 ZINC000593492755 345498009 /nfs/dbraw/zinc/49/80/09/345498009.db2.gz ZOMFXKAJIQRYDN-INIZCTEOSA-N 1 2 271.364 2.301 20 30 CEEDLO N#CC1(CNC(=O)C2CC[NH+](CC(F)F)CC2)CCCC1 ZINC000593787715 345538645 /nfs/dbraw/zinc/53/86/45/345538645.db2.gz ZMWPDIKVAMACMK-UHFFFAOYSA-N 1 2 299.365 2.164 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1nncn1-c1ccccc1 ZINC000594006856 345564793 /nfs/dbraw/zinc/56/47/93/345564793.db2.gz RNUJISYBRXSBDS-GFCCVEGCSA-N 1 2 255.325 2.049 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CC)C(=O)OC ZINC000593622026 345514660 /nfs/dbraw/zinc/51/46/60/345514660.db2.gz PSZIMIOXLCSGTN-GZBFAFLISA-N 1 2 269.385 2.289 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](C)CO1 ZINC000593666053 345518762 /nfs/dbraw/zinc/51/87/62/345518762.db2.gz JTTHSYBUCMMSKA-SWLSCSKDSA-N 1 2 284.363 2.205 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](C)CO1 ZINC000593666053 345518763 /nfs/dbraw/zinc/51/87/63/345518763.db2.gz JTTHSYBUCMMSKA-SWLSCSKDSA-N 1 2 284.363 2.205 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000594234927 345601620 /nfs/dbraw/zinc/60/16/20/345601620.db2.gz QCPXGURXCGJUCF-KGLIPLIRSA-N 1 2 296.374 2.138 20 30 CEEDLO CCC[C@H](C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000594259618 345606223 /nfs/dbraw/zinc/60/62/23/345606223.db2.gz HJMDISFDVMHWAU-GFCCVEGCSA-N 1 2 256.309 2.065 20 30 CEEDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc(C#N)c1 ZINC000594513843 345641408 /nfs/dbraw/zinc/64/14/08/345641408.db2.gz SWWQVASZBHHFOP-BXUZGUMPSA-N 1 2 297.362 2.379 20 30 CEEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000594513061 345641559 /nfs/dbraw/zinc/64/15/59/345641559.db2.gz ZTIXBGOZMYOCOJ-AWEZNQCLSA-N 1 2 296.378 2.077 20 30 CEEDLO N#CC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000057880493 362599159 /nfs/dbraw/zinc/59/91/59/362599159.db2.gz SWLLBAHQFYBRNW-UHFFFAOYSA-N 1 2 276.311 2.428 20 30 CEEDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ncnn21 ZINC000594958252 345716655 /nfs/dbraw/zinc/71/66/55/345716655.db2.gz ZVIYYXFVVQHRRN-NOZJJQNGSA-N 1 2 271.299 2.084 20 30 CEEDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ncnn21 ZINC000594957559 345716659 /nfs/dbraw/zinc/71/66/59/345716659.db2.gz RTHJPSRMQWLCPI-LDYMZIIASA-N 1 2 259.338 2.007 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CCc1nnn(C(C)(C)C)n1 ZINC000595348587 345766408 /nfs/dbraw/zinc/76/64/08/345766408.db2.gz UADURRATHLVPNL-UHFFFAOYSA-N 1 2 292.431 2.232 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CCc1nnn(C(C)(C)C)n1 ZINC000595348587 345766409 /nfs/dbraw/zinc/76/64/09/345766409.db2.gz UADURRATHLVPNL-UHFFFAOYSA-N 1 2 292.431 2.232 20 30 CEEDLO CC(C)(CO)[C@@H]([NH2+]Cc1ccncc1C#N)c1cccnc1 ZINC000595499726 345796510 /nfs/dbraw/zinc/79/65/10/345796510.db2.gz NYYBFAQAPRYKDR-INIZCTEOSA-N 1 2 296.374 2.198 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595707499 345855921 /nfs/dbraw/zinc/85/59/21/345855921.db2.gz PYNLDFWFOKIXLX-UMVBOHGHSA-N 1 2 269.385 2.025 20 30 CEEDLO CC(CN([C@@H](C)C#N)C1CC1)C[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595712038 345857626 /nfs/dbraw/zinc/85/76/26/345857626.db2.gz FNYSBXYPSKPBSV-KBPBESRZSA-N 1 2 274.412 2.375 20 30 CEEDLO CC(CN([C@@H](C)C#N)C1CC1)C[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595712038 345857629 /nfs/dbraw/zinc/85/76/29/345857629.db2.gz FNYSBXYPSKPBSV-KBPBESRZSA-N 1 2 274.412 2.375 20 30 CEEDLO Cn1c(C[N@@H+]2CCC[C@@H](CC#N)C2)nc2ccccc2c1=O ZINC000595617631 345828556 /nfs/dbraw/zinc/82/85/56/345828556.db2.gz XIRLJBQMAFAIGC-ZDUSSCGKSA-N 1 2 296.374 2.059 20 30 CEEDLO Cn1c(C[N@H+]2CCC[C@@H](CC#N)C2)nc2ccccc2c1=O ZINC000595617631 345828559 /nfs/dbraw/zinc/82/85/59/345828559.db2.gz XIRLJBQMAFAIGC-ZDUSSCGKSA-N 1 2 296.374 2.059 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833084 345890513 /nfs/dbraw/zinc/89/05/13/345890513.db2.gz FPIXERMJWGWAFW-PBHICJAKSA-N 1 2 285.391 2.269 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833084 345890517 /nfs/dbraw/zinc/89/05/17/345890517.db2.gz FPIXERMJWGWAFW-PBHICJAKSA-N 1 2 285.391 2.269 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838648 345893831 /nfs/dbraw/zinc/89/38/31/345893831.db2.gz XJXLCZLOKVAHGY-YCPHGPKFSA-N 1 2 277.412 2.259 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838648 345893834 /nfs/dbraw/zinc/89/38/34/345893834.db2.gz XJXLCZLOKVAHGY-YCPHGPKFSA-N 1 2 277.412 2.259 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc12 ZINC000595839309 345894483 /nfs/dbraw/zinc/89/44/83/345894483.db2.gz HSGLDXLCQOXVDW-HNNXBMFYSA-N 1 2 269.352 2.012 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+]3CC[C@@](C)(C#N)C3)cc12 ZINC000595839309 345894486 /nfs/dbraw/zinc/89/44/86/345894486.db2.gz HSGLDXLCQOXVDW-HNNXBMFYSA-N 1 2 269.352 2.012 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000595840031 345894587 /nfs/dbraw/zinc/89/45/87/345894587.db2.gz NSRBBNWYTBYHBZ-OAHLLOKOSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000595840031 345894591 /nfs/dbraw/zinc/89/45/91/345894591.db2.gz NSRBBNWYTBYHBZ-OAHLLOKOSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839264 345894627 /nfs/dbraw/zinc/89/46/27/345894627.db2.gz HLHNSZQNHWBNQK-BLLLJJGKSA-N 1 2 289.354 2.066 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839264 345894629 /nfs/dbraw/zinc/89/46/29/345894629.db2.gz HLHNSZQNHWBNQK-BLLLJJGKSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](Cc1cccc(F)c1C#N)CC1=CCCOC1 ZINC000595746682 345865052 /nfs/dbraw/zinc/86/50/52/345865052.db2.gz BAXIJHFWZDDDPV-UHFFFAOYSA-N 1 2 260.312 2.476 20 30 CEEDLO C[N@H+](Cc1cccc(F)c1C#N)CC1=CCCOC1 ZINC000595746682 345865055 /nfs/dbraw/zinc/86/50/55/345865055.db2.gz BAXIJHFWZDDDPV-UHFFFAOYSA-N 1 2 260.312 2.476 20 30 CEEDLO CCN(Cc1[nH+]ccn1CC(F)(F)F)[C@H](C)C#N ZINC000595813153 345882969 /nfs/dbraw/zinc/88/29/69/345882969.db2.gz LJKOZULSRWMJPT-SECBINFHSA-N 1 2 260.263 2.179 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887013 345906161 /nfs/dbraw/zinc/90/61/61/345906161.db2.gz QRIPYROYPZXWSF-ZJUUUORDSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887013 345906163 /nfs/dbraw/zinc/90/61/63/345906163.db2.gz QRIPYROYPZXWSF-ZJUUUORDSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H]1C[N@H+](CCCC#N)C[C@H](CC(F)(F)F)O1 ZINC000595889982 345908003 /nfs/dbraw/zinc/90/80/03/345908003.db2.gz KBDMNTQGGNPBMY-ZJUUUORDSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H]1C[N@@H+](CCCC#N)C[C@H](CC(F)(F)F)O1 ZINC000595889982 345908006 /nfs/dbraw/zinc/90/80/06/345908006.db2.gz KBDMNTQGGNPBMY-ZJUUUORDSA-N 1 2 250.264 2.332 20 30 CEEDLO Cc1cc(N(C)Cc2[nH+]ccn2C)cc(C#N)c1[N+](=O)[O-] ZINC000596060812 345930469 /nfs/dbraw/zinc/93/04/69/345930469.db2.gz IOVKZICXCPCKKQ-UHFFFAOYSA-N 1 2 285.307 2.145 20 30 CEEDLO N#Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)sc1Cl ZINC000596077379 345934021 /nfs/dbraw/zinc/93/40/21/345934021.db2.gz VLPGDAQKADYYJL-WPRPVWTQSA-N 1 2 282.800 2.129 20 30 CEEDLO N#Cc1nc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)sc1Cl ZINC000596077379 345934023 /nfs/dbraw/zinc/93/40/23/345934023.db2.gz VLPGDAQKADYYJL-WPRPVWTQSA-N 1 2 282.800 2.129 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1cc(C#N)cnn1 ZINC000596216796 345972312 /nfs/dbraw/zinc/97/23/12/345972312.db2.gz SIPXGMLHMIJFTP-CYBMUJFWSA-N 1 2 282.351 2.296 20 30 CEEDLO N#Cc1c2c(cnc1NCc1ccc[nH+]c1N)CCC2 ZINC000596252960 345981297 /nfs/dbraw/zinc/98/12/97/345981297.db2.gz ORCKAUHSDMBYKK-UHFFFAOYSA-N 1 2 265.320 2.031 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000596434026 346023125 /nfs/dbraw/zinc/02/31/25/346023125.db2.gz WQQKLDPQVXQJSQ-NWDGAFQWSA-N 1 2 277.343 2.218 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000596434026 346023126 /nfs/dbraw/zinc/02/31/26/346023126.db2.gz WQQKLDPQVXQJSQ-NWDGAFQWSA-N 1 2 277.343 2.218 20 30 CEEDLO Cc1cc(N[C@H]2CCc3ccc(O)cc32)c(C#N)c[nH+]1 ZINC000596487331 346036258 /nfs/dbraw/zinc/03/62/58/346036258.db2.gz GQUKKHDXQVPDAZ-HNNXBMFYSA-N 1 2 265.316 2.489 20 30 CEEDLO Cc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)c(C)c[nH+]1 ZINC000596812349 346092669 /nfs/dbraw/zinc/09/26/69/346092669.db2.gz BFWMSDNQKOOQBC-ZDUSSCGKSA-N 1 2 272.352 2.278 20 30 CEEDLO COCCOC1C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597075843 346124310 /nfs/dbraw/zinc/12/43/10/346124310.db2.gz YEOUAZPPRKKGDD-UHFFFAOYSA-N 1 2 286.375 2.089 20 30 CEEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000597123741 346131405 /nfs/dbraw/zinc/13/14/05/346131405.db2.gz AQCXRLZCTGCNFL-SECBINFHSA-N 1 2 284.294 2.164 20 30 CEEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000597123741 346131407 /nfs/dbraw/zinc/13/14/07/346131407.db2.gz AQCXRLZCTGCNFL-SECBINFHSA-N 1 2 284.294 2.164 20 30 CEEDLO COc1cc(C[NH+]2CC(CC#N)C2)cc(OC)c1OC ZINC000597191833 346145830 /nfs/dbraw/zinc/14/58/30/346145830.db2.gz HXCOKIFQUNPLND-UHFFFAOYSA-N 1 2 276.336 2.058 20 30 CEEDLO Cc1cccn2c(NC(=O)C3(C#N)CCC3)c[nH+]c12 ZINC000598264157 346316109 /nfs/dbraw/zinc/31/61/09/346316109.db2.gz WORQWRZJIWRFBT-UHFFFAOYSA-N 1 2 254.293 2.275 20 30 CEEDLO C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1[nH+]ccn1C ZINC000598463777 346361142 /nfs/dbraw/zinc/36/11/42/346361142.db2.gz BYRBXUDDEWQXRC-NHYWBVRUSA-N 1 2 272.352 2.071 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000598836915 346425537 /nfs/dbraw/zinc/42/55/37/346425537.db2.gz RZXGVRIDUJEJTO-KWCYVHTRSA-N 1 2 299.365 2.162 20 30 CEEDLO COCCN(CCC#N)c1nc2ccccc2n2c[nH+]cc12 ZINC000599057443 346453813 /nfs/dbraw/zinc/45/38/13/346453813.db2.gz PUMVBCYKMSEBFU-UHFFFAOYSA-N 1 2 295.346 2.249 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000599160448 346469932 /nfs/dbraw/zinc/46/99/32/346469932.db2.gz JPDBPCALLUIPSV-GFCCVEGCSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000599160448 346469935 /nfs/dbraw/zinc/46/99/35/346469935.db2.gz JPDBPCALLUIPSV-GFCCVEGCSA-N 1 2 299.296 2.320 20 30 CEEDLO CCN1CC[N@H+](Cc2ccc(C)c(C#N)c2)C(C)(C)C1=O ZINC000599375986 346510086 /nfs/dbraw/zinc/51/00/86/346510086.db2.gz CARWBJTWGFYLBL-UHFFFAOYSA-N 1 2 285.391 2.309 20 30 CEEDLO CCN1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C(C)(C)C1=O ZINC000599375986 346510087 /nfs/dbraw/zinc/51/00/87/346510087.db2.gz CARWBJTWGFYLBL-UHFFFAOYSA-N 1 2 285.391 2.309 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1C#N ZINC000599415616 346515771 /nfs/dbraw/zinc/51/57/71/346515771.db2.gz PSNRCLWRJDBAQX-DLBZAZTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1C#N ZINC000599415616 346515774 /nfs/dbraw/zinc/51/57/74/346515774.db2.gz PSNRCLWRJDBAQX-DLBZAZTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@@H+](C)Cc2nccn2C)cc1C#N ZINC000599336396 346501918 /nfs/dbraw/zinc/50/19/18/346501918.db2.gz JDLONRYWNKLIGE-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1ccc(C[N@H+](C)Cc2nccn2C)cc1C#N ZINC000599336396 346501922 /nfs/dbraw/zinc/50/19/22/346501922.db2.gz JDLONRYWNKLIGE-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1ccc(CN(C)Cc2[nH+]ccn2C)cc1C#N ZINC000599336396 346501926 /nfs/dbraw/zinc/50/19/26/346501926.db2.gz JDLONRYWNKLIGE-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1ncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000599677857 346562318 /nfs/dbraw/zinc/56/23/18/346562318.db2.gz PTHDDAPTHVJDOM-UHFFFAOYSA-N 1 2 278.359 2.409 20 30 CEEDLO Cc1ncc(C[N@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000599677857 346562320 /nfs/dbraw/zinc/56/23/20/346562320.db2.gz PTHDDAPTHVJDOM-UHFFFAOYSA-N 1 2 278.359 2.409 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccon1)C2 ZINC000599677787 346562652 /nfs/dbraw/zinc/56/26/52/346562652.db2.gz DYZYDIGZLMMGMV-UHFFFAOYSA-N 1 2 253.305 2.299 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccon1)C2 ZINC000599677787 346562655 /nfs/dbraw/zinc/56/26/55/346562655.db2.gz DYZYDIGZLMMGMV-UHFFFAOYSA-N 1 2 253.305 2.299 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000602610671 347101356 /nfs/dbraw/zinc/10/13/56/347101356.db2.gz IIBAEYVBTRRIAJ-SNVBAGLBSA-N 1 2 252.339 2.317 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ccc1F ZINC000599641422 346551815 /nfs/dbraw/zinc/55/18/15/346551815.db2.gz HMPCWBQYTQZECI-CYBMUJFWSA-N 1 2 266.291 2.258 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@H](CCF)C2)ccc1F ZINC000599641422 346551817 /nfs/dbraw/zinc/55/18/17/346551817.db2.gz HMPCWBQYTQZECI-CYBMUJFWSA-N 1 2 266.291 2.258 20 30 CEEDLO Cc1[nH]c(CN(CCC#N)Cc2cccnc2)[nH+]c1C ZINC000600106816 346598062 /nfs/dbraw/zinc/59/80/62/346598062.db2.gz LXLZGHADKBIXLE-UHFFFAOYSA-N 1 2 269.352 2.337 20 30 CEEDLO Cc1[nH]c(CN(CCC#N)Cc2ccccn2)[nH+]c1C ZINC000600116840 346600338 /nfs/dbraw/zinc/60/03/38/346600338.db2.gz DYNGHBDSNRFOAZ-UHFFFAOYSA-N 1 2 269.352 2.337 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000600152503 346608104 /nfs/dbraw/zinc/60/81/04/346608104.db2.gz BALZICAEIKLZLF-GOEBONIOSA-N 1 2 291.391 2.432 20 30 CEEDLO CCOC(=O)c1cccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000600171889 346613613 /nfs/dbraw/zinc/61/36/13/346613613.db2.gz XXNOCMSCGTWKEH-UHFFFAOYSA-N 1 2 275.352 2.240 20 30 CEEDLO CCOC(=O)c1cccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000600171889 346613614 /nfs/dbraw/zinc/61/36/14/346613614.db2.gz XXNOCMSCGTWKEH-UHFFFAOYSA-N 1 2 275.352 2.240 20 30 CEEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CCC#N ZINC000602628102 347111107 /nfs/dbraw/zinc/11/11/07/347111107.db2.gz BLVSNGYVVZVWIN-HIFRSBDPSA-N 1 2 274.364 2.300 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602628704 347111392 /nfs/dbraw/zinc/11/13/92/347111392.db2.gz JSWAINDSKAQJQR-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602628704 347111396 /nfs/dbraw/zinc/11/13/96/347111396.db2.gz JSWAINDSKAQJQR-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO CC(C)(CNc1ncc2c(c1C#N)CCC2)n1cc[nH+]c1 ZINC000601198602 346785106 /nfs/dbraw/zinc/78/51/06/346785106.db2.gz YMMLSPDBXQAYSM-UHFFFAOYSA-N 1 2 281.363 2.486 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C#N)n2)o1 ZINC000602656745 347126844 /nfs/dbraw/zinc/12/68/44/347126844.db2.gz MKIATQYAYSKNEV-UHFFFAOYSA-N 1 2 285.303 2.013 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000602772551 347192108 /nfs/dbraw/zinc/19/21/08/347192108.db2.gz STHUHQDXCXQIHD-BFHYXJOUSA-N 1 2 273.380 2.344 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000602772551 347192111 /nfs/dbraw/zinc/19/21/11/347192111.db2.gz STHUHQDXCXQIHD-BFHYXJOUSA-N 1 2 273.380 2.344 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](COC)CC(C)C)C(=O)OC ZINC000602732346 347175884 /nfs/dbraw/zinc/17/58/84/347175884.db2.gz AXGIMNORGHXSQQ-OLZOCXBDSA-N 1 2 257.374 2.145 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OC ZINC000602733013 347177202 /nfs/dbraw/zinc/17/72/02/347177202.db2.gz GQQMGWNETBFXRV-WXRRBKDZSA-N 1 2 255.358 2.040 20 30 CEEDLO COC(=O)c1oc(C[NH2+]Cc2ccc(C#N)o2)cc1C ZINC000602742500 347182227 /nfs/dbraw/zinc/18/22/27/347182227.db2.gz HFBHPWMFONQJIL-UHFFFAOYSA-N 1 2 274.276 2.129 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cc(O)ccc2Cl)C[C@@H](C)N1CC#N ZINC000602851369 347224167 /nfs/dbraw/zinc/22/41/67/347224167.db2.gz VQNUTBLATWYUDW-VXGBXAGGSA-N 1 2 293.798 2.464 20 30 CEEDLO Cc1cc(C)c(CCNC(=O)C[NH2+][C@H](C)CC#N)c(C)c1 ZINC000602861797 347228837 /nfs/dbraw/zinc/22/88/37/347228837.db2.gz JHUIGBBUJLPNHW-OAHLLOKOSA-N 1 2 287.407 2.162 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1cncn1Cc1ccccc1 ZINC000602868919 347231981 /nfs/dbraw/zinc/23/19/81/347231981.db2.gz FABSGENHNISVCH-CYBMUJFWSA-N 1 2 254.337 2.323 20 30 CEEDLO C[C@H](CC#N)NCc1c[nH+]cn1Cc1ccccc1 ZINC000602868919 347231982 /nfs/dbraw/zinc/23/19/82/347231982.db2.gz FABSGENHNISVCH-CYBMUJFWSA-N 1 2 254.337 2.323 20 30 CEEDLO N#Cc1cccc2c1C[N@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC000602872743 347233846 /nfs/dbraw/zinc/23/38/46/347233846.db2.gz ZSLVLXZAQCPXRX-INIZCTEOSA-N 1 2 281.359 2.027 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC000602872743 347233849 /nfs/dbraw/zinc/23/38/49/347233849.db2.gz ZSLVLXZAQCPXRX-INIZCTEOSA-N 1 2 281.359 2.027 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000602943865 347253161 /nfs/dbraw/zinc/25/31/61/347253161.db2.gz SZSVGXIWPQFIPZ-UHFFFAOYSA-N 1 2 284.363 2.491 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000602943865 347253165 /nfs/dbraw/zinc/25/31/65/347253165.db2.gz SZSVGXIWPQFIPZ-UHFFFAOYSA-N 1 2 284.363 2.491 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893773 347239855 /nfs/dbraw/zinc/23/98/55/347239855.db2.gz GQJYDDUHMYBVMH-MRXNPFEDSA-N 1 2 299.374 2.162 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924807 347248704 /nfs/dbraw/zinc/24/87/04/347248704.db2.gz DNGTXMLLIUVUKS-JSGCOSHPSA-N 1 2 289.379 2.423 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924807 347248706 /nfs/dbraw/zinc/24/87/06/347248706.db2.gz DNGTXMLLIUVUKS-JSGCOSHPSA-N 1 2 289.379 2.423 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973799 347260333 /nfs/dbraw/zinc/26/03/33/347260333.db2.gz FNGAHHWFAIUCPF-RBSFLKMASA-N 1 2 277.412 2.402 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973799 347260336 /nfs/dbraw/zinc/26/03/36/347260336.db2.gz FNGAHHWFAIUCPF-RBSFLKMASA-N 1 2 277.412 2.402 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccccc1F)[C@H]1CCC[C@H]1C#N ZINC000602974961 347261435 /nfs/dbraw/zinc/26/14/35/347261435.db2.gz WGNCHXMYUFUVJH-WFASDCNBSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccccc1F)[C@H]1CCC[C@H]1C#N ZINC000602974961 347261438 /nfs/dbraw/zinc/26/14/38/347261438.db2.gz WGNCHXMYUFUVJH-WFASDCNBSA-N 1 2 289.354 2.066 20 30 CEEDLO CC1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602976089 347262134 /nfs/dbraw/zinc/26/21/34/347262134.db2.gz KRJCDLLKYCVWKY-JYVUQVBGSA-N 1 2 277.412 2.305 20 30 CEEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602976089 347262136 /nfs/dbraw/zinc/26/21/36/347262136.db2.gz 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351118061 /nfs/dbraw/zinc/11/80/61/351118061.db2.gz PSVXOAALCGMJOJ-KBPBESRZSA-N 1 2 273.380 2.179 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Br)cn1 ZINC000069938811 363015098 /nfs/dbraw/zinc/01/50/98/363015098.db2.gz UZPLWGYJCAVILX-QMMMGPOBSA-N 1 2 254.131 2.093 20 30 CEEDLO COCC[N@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337125098 366030165 /nfs/dbraw/zinc/03/01/65/366030165.db2.gz DTYRCWPAAFMLOV-UHFFFAOYSA-N 1 2 290.354 2.300 20 30 CEEDLO COCC[N@@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337125098 366030168 /nfs/dbraw/zinc/03/01/68/366030168.db2.gz DTYRCWPAAFMLOV-UHFFFAOYSA-N 1 2 290.354 2.300 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccccc2F)nn1 ZINC000630615234 351810274 /nfs/dbraw/zinc/81/02/74/351810274.db2.gz WWRQZJXICLNJOG-LBPRGKRZSA-N 1 2 272.327 2.139 20 30 CEEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000630616401 351810309 /nfs/dbraw/zinc/81/03/09/351810309.db2.gz LSWMMVYEYXEUSV-UHFFFAOYSA-N 1 2 285.391 2.082 20 30 CEEDLO C=CC[NH+](CC=C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000155053130 188179722 /nfs/dbraw/zinc/17/97/22/188179722.db2.gz BZNCPRCPNZKBKV-UHFFFAOYSA-N 1 2 295.404 2.143 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(F)cc1F ZINC000073894113 363265675 /nfs/dbraw/zinc/26/56/75/363265675.db2.gz OOBLMDILGLSZQE-LLVKDONJSA-N 1 2 295.333 2.157 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(F)cc1F ZINC000073894113 363265679 /nfs/dbraw/zinc/26/56/79/363265679.db2.gz OOBLMDILGLSZQE-LLVKDONJSA-N 1 2 295.333 2.157 20 30 CEEDLO C[C@H]1CSCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000334148566 291014015 /nfs/dbraw/zinc/01/40/15/291014015.db2.gz GHGJKOMAFCITQF-SECBINFHSA-N 1 2 253.396 2.200 20 30 CEEDLO C[C@H]1CSCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000334148566 291014017 /nfs/dbraw/zinc/01/40/17/291014017.db2.gz GHGJKOMAFCITQF-SECBINFHSA-N 1 2 253.396 2.200 20 30 CEEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000336398900 213256313 /nfs/dbraw/zinc/25/63/13/213256313.db2.gz OBSDAZACPUCOAR-SMDDNHRTSA-N 1 2 294.358 2.059 20 30 CEEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000336398900 213256315 /nfs/dbraw/zinc/25/63/15/213256315.db2.gz OBSDAZACPUCOAR-SMDDNHRTSA-N 1 2 294.358 2.059 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132637979 366160048 /nfs/dbraw/zinc/16/00/48/366160048.db2.gz LEXXFSWVHVSEFX-GFCCVEGCSA-N 1 2 291.420 2.114 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132637979 366160056 /nfs/dbraw/zinc/16/00/56/366160056.db2.gz LEXXFSWVHVSEFX-GFCCVEGCSA-N 1 2 291.420 2.114 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337597283 366165485 /nfs/dbraw/zinc/16/54/85/366165485.db2.gz PPABXEMBOBHICI-UKRRQHHQSA-N 1 2 273.380 2.157 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132828120 366173137 /nfs/dbraw/zinc/17/31/37/366173137.db2.gz XTBHBIAKKGVDSH-HNNXBMFYSA-N 1 2 291.420 2.161 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132828120 366173147 /nfs/dbraw/zinc/17/31/47/366173147.db2.gz 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/nfs/dbraw/zinc/14/06/20/213140620.db2.gz GTGDKNTWQHELSY-CYBMUJFWSA-N 1 2 297.362 2.152 20 30 CEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000570500375 299259835 /nfs/dbraw/zinc/25/98/35/299259835.db2.gz MYFNZNSWSACADU-JTQLQIEISA-N 1 2 256.309 2.409 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)c2sccc2C#N)c2[nH+]ccn21 ZINC000335155185 291144834 /nfs/dbraw/zinc/14/48/34/291144834.db2.gz KYNYAJQEOLUHFS-WPRPVWTQSA-N 1 2 272.333 2.252 20 30 CEEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000160117762 540445006 /nfs/dbraw/zinc/44/50/06/540445006.db2.gz NEHFBCKBJKJGJS-OAHLLOKOSA-N 1 2 290.794 2.148 20 30 CEEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000160117762 540445008 /nfs/dbraw/zinc/44/50/08/540445008.db2.gz NEHFBCKBJKJGJS-OAHLLOKOSA-N 1 2 290.794 2.148 20 30 CEEDLO Cn1cc(C#N)cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000081028555 363697968 /nfs/dbraw/zinc/69/79/68/363697968.db2.gz MSXIOWUQIJXQOO-UHFFFAOYSA-N 1 2 291.314 2.335 20 30 CEEDLO Cc1cc(=O)[nH]c(C=Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000339115502 366660013 /nfs/dbraw/zinc/66/00/13/366660013.db2.gz BYVKDSMSTYRJKP-ONEGZZNKSA-N 1 2 277.287 2.180 20 30 CEEDLO COCC#CC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000677818600 541046126 /nfs/dbraw/zinc/04/61/26/541046126.db2.gz CULHTBAGXBKOCI-UHFFFAOYSA-N 1 2 268.360 2.484 20 30 CEEDLO COCC#CC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000677818600 541046127 /nfs/dbraw/zinc/04/61/27/541046127.db2.gz CULHTBAGXBKOCI-UHFFFAOYSA-N 1 2 268.360 2.484 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732319 541039323 /nfs/dbraw/zinc/03/93/23/541039323.db2.gz IALQTMHEXFFZAI-UHFFFAOYSA-N 1 2 272.339 2.142 20 30 CEEDLO N#CC1(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CCC1 ZINC000579798431 366704268 /nfs/dbraw/zinc/70/42/68/366704268.db2.gz VIRGGIPBDUVZLD-INIZCTEOSA-N 1 2 297.402 2.113 20 30 CEEDLO N#CC1(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CCC1 ZINC000579798431 366704270 /nfs/dbraw/zinc/70/42/70/366704270.db2.gz VIRGGIPBDUVZLD-INIZCTEOSA-N 1 2 297.402 2.113 20 30 CEEDLO COCC#CC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000677820383 541047278 /nfs/dbraw/zinc/04/72/78/541047278.db2.gz LVWUQPIWGHLSCX-WBVHZDCISA-N 1 2 273.376 2.407 20 30 CEEDLO COCC#CC[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000677820383 541047279 /nfs/dbraw/zinc/04/72/79/541047279.db2.gz LVWUQPIWGHLSCX-WBVHZDCISA-N 1 2 273.376 2.407 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000678049661 541073080 /nfs/dbraw/zinc/07/30/80/541073080.db2.gz OGZVDIZLPBAITC-JKSUJKDBSA-N 1 2 279.355 2.444 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000678049661 541073083 /nfs/dbraw/zinc/07/30/83/541073083.db2.gz OGZVDIZLPBAITC-JKSUJKDBSA-N 1 2 279.355 2.444 20 30 CEEDLO Cc1cc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)ccc1C#N ZINC000335204172 364619253 /nfs/dbraw/zinc/61/92/53/364619253.db2.gz JIOOEKXRFARYNT-DJJJIMSYSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)ccc1C#N ZINC000335204172 364619254 /nfs/dbraw/zinc/61/92/54/364619254.db2.gz JIOOEKXRFARYNT-DJJJIMSYSA-N 1 2 276.405 2.210 20 30 CEEDLO C[C@H](CC#N)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000103441976 364655003 /nfs/dbraw/zinc/65/50/03/364655003.db2.gz POBBLOOOYHXAGC-GFCCVEGCSA-N 1 2 268.320 2.246 20 30 CEEDLO COCC#CC[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000680391519 541406719 /nfs/dbraw/zinc/40/67/19/541406719.db2.gz LUBRAXRFBCAUHQ-AWEZNQCLSA-N 1 2 265.353 2.233 20 30 CEEDLO CCOC(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390363 365153283 /nfs/dbraw/zinc/15/32/83/365153283.db2.gz IXBBZISEKUTBPT-ZDUSSCGKSA-N 1 2 287.363 2.393 20 30 CEEDLO COC(=O)C1([NH2+]CCOc2ccccc2C#N)CCCC1 ZINC000118862443 365186878 /nfs/dbraw/zinc/18/68/78/365186878.db2.gz WWSGEIIRINIYHY-UHFFFAOYSA-N 1 2 288.347 2.012 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000582162575 366871281 /nfs/dbraw/zinc/87/12/81/366871281.db2.gz SNLQNMOAIFBQJH-BDJLRTHQSA-N 1 2 280.331 2.243 20 30 CEEDLO N#Cc1c(F)cccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336106545 365415810 /nfs/dbraw/zinc/41/58/10/365415810.db2.gz YZSCMGIRLTYIMW-UHFFFAOYSA-N 1 2 298.321 2.440 20 30 CEEDLO N#Cc1c(F)cccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336106545 365415815 /nfs/dbraw/zinc/41/58/15/365415815.db2.gz YZSCMGIRLTYIMW-UHFFFAOYSA-N 1 2 298.321 2.440 20 30 CEEDLO N#Cc1csc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000336162265 365496581 /nfs/dbraw/zinc/49/65/81/365496581.db2.gz LQTAMXVVADBXFP-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO N#Cc1csc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000336162265 365496588 /nfs/dbraw/zinc/49/65/88/365496588.db2.gz LQTAMXVVADBXFP-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO CCC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161106913 367057493 /nfs/dbraw/zinc/05/74/93/367057493.db2.gz CQXKXBFGAATUIS-NSHDSACASA-N 1 2 298.433 2.019 20 30 CEEDLO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161106913 367057503 /nfs/dbraw/zinc/05/75/03/367057503.db2.gz CQXKXBFGAATUIS-NSHDSACASA-N 1 2 298.433 2.019 20 30 CEEDLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2cccc(C#N)c2)[nH+]1 ZINC000583758416 367091596 /nfs/dbraw/zinc/09/15/96/367091596.db2.gz HZOTVTURPYVRBI-UHFFFAOYSA-N 1 2 282.347 2.184 20 30 CEEDLO CC(C)C[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000340936577 367098419 /nfs/dbraw/zinc/09/84/19/367098419.db2.gz HGCKLLCORZSIET-UHFFFAOYSA-N 1 2 285.351 2.040 20 30 CEEDLO CC(C)C[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000340936577 367098425 /nfs/dbraw/zinc/09/84/25/367098425.db2.gz HGCKLLCORZSIET-UHFFFAOYSA-N 1 2 285.351 2.040 20 30 CEEDLO Cn1c[nH+]cc1Cc1noc(/C=C/c2cccc(C#N)c2)n1 ZINC000357956085 370851182 /nfs/dbraw/zinc/85/11/82/370851182.db2.gz KEEIRTWFKXIZQZ-AATRIKPKSA-N 1 2 291.314 2.436 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c(F)c1 ZINC000602865076 367217210 /nfs/dbraw/zinc/21/72/10/367217210.db2.gz VYQVJCGPFWTTFB-WDEREUQCSA-N 1 2 263.316 2.353 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1c(Br)c(C)nn1C ZINC000167878244 367344161 /nfs/dbraw/zinc/34/41/61/367344161.db2.gz ISVWEOIWWBTWEP-UHFFFAOYSA-N 1 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2.310 20 30 CEEDLO C[N@@H+](CCc1ccccc1O)C[C@H](C#N)CCC#N ZINC000344201911 368113636 /nfs/dbraw/zinc/11/36/36/368113636.db2.gz YYBODOBTORXWFD-ZDUSSCGKSA-N 1 2 257.337 2.310 20 30 CEEDLO C=CCCN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000682417393 541661862 /nfs/dbraw/zinc/66/18/62/541661862.db2.gz YENLUOMJDFLLFZ-UHFFFAOYSA-N 1 2 273.380 2.220 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH]c(C#N)c2)c1C ZINC000181263734 368437359 /nfs/dbraw/zinc/43/73/59/368437359.db2.gz RYLSFRLHEOXOIU-UHFFFAOYSA-N 1 2 298.346 2.179 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183983286 368661623 /nfs/dbraw/zinc/66/16/23/368661623.db2.gz YMDIZUCOBGALDH-QGZVFWFLSA-N 1 2 299.349 2.202 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000185056286 368740866 /nfs/dbraw/zinc/74/08/66/368740866.db2.gz RCZNILUCKMVWPF-CYBMUJFWSA-N 1 2 284.363 2.486 20 30 CEEDLO Cc1ccc(Cn2ccn3ncc(C#N)c23)c(C)[nH+]1 ZINC000348023939 368862098 /nfs/dbraw/zinc/86/20/98/368862098.db2.gz GQVJJMDDSGWACN-UHFFFAOYSA-N 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C=CCN(C)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000275046123 374137826 /nfs/dbraw/zinc/13/78/26/374137826.db2.gz RSHSLWWGUCBIGL-UHFFFAOYSA-N 1 2 257.337 2.243 20 30 CEEDLO Cn1cc(C[NH2+][C@H]2COc3cccc(F)c32)cc1C#N ZINC000373621426 374393970 /nfs/dbraw/zinc/39/39/70/374393970.db2.gz CVCJYQUVFRLMED-ZDUSSCGKSA-N 1 2 271.295 2.259 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374996500 374639651 /nfs/dbraw/zinc/63/96/51/374639651.db2.gz HEFDYJRRJOXUAC-UHFFFAOYSA-N 1 2 291.782 2.126 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374996500 374639659 /nfs/dbraw/zinc/63/96/59/374639659.db2.gz HEFDYJRRJOXUAC-UHFFFAOYSA-N 1 2 291.782 2.126 20 30 CEEDLO C#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000375736500 374674066 /nfs/dbraw/zinc/67/40/66/374674066.db2.gz OOIXAVSNDMUOSY-GOSISDBHSA-N 1 2 290.366 2.080 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000375736500 374674071 /nfs/dbraw/zinc/67/40/71/374674071.db2.gz OOIXAVSNDMUOSY-GOSISDBHSA-N 1 2 290.366 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2 276.384 2.206 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC000378617378 375137137 /nfs/dbraw/zinc/13/71/37/375137137.db2.gz AUTJHMWKNYHHHT-UHFFFAOYSA-N 1 2 281.319 2.111 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cn2cc(C)ccc2[nH+]1)C(C)C ZINC000280978845 375347918 /nfs/dbraw/zinc/34/79/18/375347918.db2.gz BCGJJWOAYBAZEI-CQSZACIVSA-N 1 2 284.363 2.100 20 30 CEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2csc(CC)n2)C1=O ZINC000281252488 375367429 /nfs/dbraw/zinc/36/74/29/375367429.db2.gz QJDQHEASYYNUTI-WDEREUQCSA-N 1 2 279.409 2.143 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccccc2F)C1=O ZINC000281347175 375372842 /nfs/dbraw/zinc/37/28/42/375372842.db2.gz TXCCXSRCIBPFMF-CQSZACIVSA-N 1 2 262.328 2.044 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2F)C1=O ZINC000281347175 375372850 /nfs/dbraw/zinc/37/28/50/375372850.db2.gz TXCCXSRCIBPFMF-CQSZACIVSA-N 1 2 262.328 2.044 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000281496188 375382962 /nfs/dbraw/zinc/38/29/62/375382962.db2.gz WKYWVLNQSQRBHC-CYBMUJFWSA-N 1 2 264.373 2.269 20 30 CEEDLO COc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccc1C#N ZINC000282357946 375465550 /nfs/dbraw/zinc/46/55/50/375465550.db2.gz PQARDJSMFPZCJN-HNNXBMFYSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccc1C#N ZINC000282357946 375465552 /nfs/dbraw/zinc/46/55/52/375465552.db2.gz PQARDJSMFPZCJN-HNNXBMFYSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1cc(C[NH2+]Cc2ncnn2C(C)(C)C)ccc1C#N ZINC000282562678 375519245 /nfs/dbraw/zinc/51/92/45/375519245.db2.gz DUJYPRCONKLWKX-UHFFFAOYSA-N 1 2 299.378 2.203 20 30 CEEDLO COc1cc(C[N@@H+]2CCOC[C@@H]2CC(F)F)ccc1C#N ZINC000289747074 376478296 /nfs/dbraw/zinc/47/82/96/376478296.db2.gz QKQFFIFATQHHNE-ZDUSSCGKSA-N 1 2 296.317 2.423 20 30 CEEDLO COc1cc(C[N@H+]2CCOC[C@@H]2CC(F)F)ccc1C#N ZINC000289747074 376478308 /nfs/dbraw/zinc/47/83/08/376478308.db2.gz QKQFFIFATQHHNE-ZDUSSCGKSA-N 1 2 296.317 2.423 20 30 CEEDLO C[C@H]1C[C@H](Nc2ncc(C#N)cc2F)c2[nH+]ccn21 ZINC000556847360 376504666 /nfs/dbraw/zinc/50/46/66/376504666.db2.gz VWBFWMWLNQSLQU-KWQFWETISA-N 1 2 257.272 2.407 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000289998210 376594553 /nfs/dbraw/zinc/59/45/53/376594553.db2.gz KYGYJLYNDNJUQT-LXIYXOSZSA-N 1 2 261.390 2.009 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000289998210 376594563 /nfs/dbraw/zinc/59/45/63/376594563.db2.gz KYGYJLYNDNJUQT-LXIYXOSZSA-N 1 2 261.390 2.009 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000289998205 376595750 /nfs/dbraw/zinc/59/57/50/376595750.db2.gz KYGYJLYNDNJUQT-JCGVRSQUSA-N 1 2 261.390 2.009 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000289998205 376595758 /nfs/dbraw/zinc/59/57/58/376595758.db2.gz KYGYJLYNDNJUQT-JCGVRSQUSA-N 1 2 261.390 2.009 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)CCn1cc[nH+]c1 ZINC000311848189 376688636 /nfs/dbraw/zinc/68/86/36/376688636.db2.gz OVGQZKOSPDTFFV-UHFFFAOYSA-N 1 2 254.293 2.092 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000264469696 190112074 /nfs/dbraw/zinc/11/20/74/190112074.db2.gz NBYTXDUTTVVIBY-ZDUSSCGKSA-N 1 2 269.352 2.375 20 30 CEEDLO C=C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000264514071 190115466 /nfs/dbraw/zinc/11/54/66/190115466.db2.gz YOFJDQZRUXJADP-UHFFFAOYSA-N 1 2 262.328 2.094 20 30 CEEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCC#N)C1 ZINC000420999951 376775750 /nfs/dbraw/zinc/77/57/50/376775750.db2.gz CJZXLNWVKWCWBP-NEPJUHHUSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC#N)C1 ZINC000420999951 376775758 /nfs/dbraw/zinc/77/57/58/376775758.db2.gz CJZXLNWVKWCWBP-NEPJUHHUSA-N 1 2 252.358 2.200 20 30 CEEDLO O=C(NCC1CCC1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328606038 376858198 /nfs/dbraw/zinc/85/81/98/376858198.db2.gz KAZPTXCUXDUIMG-LBPRGKRZSA-N 1 2 262.357 2.064 20 30 CEEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000328615356 376860978 /nfs/dbraw/zinc/86/09/78/376860978.db2.gz RSVBZCBUPCKFSQ-UPJWGTAASA-N 1 2 276.384 2.262 20 30 CEEDLO Cc1cnn(CC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000328697235 376881673 /nfs/dbraw/zinc/88/16/73/376881673.db2.gz DLETXNRKCZDPRH-CYBMUJFWSA-N 1 2 287.367 2.231 20 30 CEEDLO CC(C)[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1[nH]cc[nH+]1 ZINC000328741105 376889842 /nfs/dbraw/zinc/88/98/42/376889842.db2.gz IVEBGEXONFKVNM-COPLHBTASA-N 1 2 263.341 2.490 20 30 CEEDLO N#CCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000562420078 376891173 /nfs/dbraw/zinc/89/11/73/376891173.db2.gz UGTZSOLCEFNZRW-UHFFFAOYSA-N 1 2 271.368 2.207 20 30 CEEDLO N#CCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000562420078 376891181 /nfs/dbraw/zinc/89/11/81/376891181.db2.gz UGTZSOLCEFNZRW-UHFFFAOYSA-N 1 2 271.368 2.207 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328839730 376907868 /nfs/dbraw/zinc/90/78/68/376907868.db2.gz OLQZEVOTXNIEOE-LBPRGKRZSA-N 1 2 263.341 2.493 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328839730 376907877 /nfs/dbraw/zinc/90/78/77/376907877.db2.gz OLQZEVOTXNIEOE-LBPRGKRZSA-N 1 2 263.341 2.493 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)nc1 ZINC000563363952 377187851 /nfs/dbraw/zinc/18/78/51/377187851.db2.gz NXGPQCVDHYIHON-UHFFFAOYSA-N 1 2 293.326 2.327 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)nc1 ZINC000563363952 377187856 /nfs/dbraw/zinc/18/78/56/377187856.db2.gz NXGPQCVDHYIHON-UHFFFAOYSA-N 1 2 293.326 2.327 20 30 CEEDLO CCCCCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331016962 377241343 /nfs/dbraw/zinc/24/13/43/377241343.db2.gz HSBQKRMHAYBSIT-CYBMUJFWSA-N 1 2 293.415 2.193 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)NCCC(C)(C)C ZINC000330706534 377199588 /nfs/dbraw/zinc/19/95/88/377199588.db2.gz OQTSKMZBVVNMSS-UHFFFAOYSA-N 1 2 252.362 2.202 20 30 CEEDLO COCC1(CNc2cc(C)[nH+]cc2C#N)CCCC1 ZINC000425268339 377337638 /nfs/dbraw/zinc/33/76/38/377337638.db2.gz NZXCJHGGBXAKDN-UHFFFAOYSA-N 1 2 259.353 2.302 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000426226915 377396207 /nfs/dbraw/zinc/39/62/07/377396207.db2.gz NKHXWKQZMRHGOR-HUUCEWRRSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000426226915 377396214 /nfs/dbraw/zinc/39/62/14/377396214.db2.gz NKHXWKQZMRHGOR-HUUCEWRRSA-N 1 2 297.443 2.141 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425511582 377355141 /nfs/dbraw/zinc/35/51/41/377355141.db2.gz ODZKFQAJOWGBQU-WQAKAFBOSA-N 1 2 294.301 2.481 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425511582 377355149 /nfs/dbraw/zinc/35/51/49/377355149.db2.gz ODZKFQAJOWGBQU-WQAKAFBOSA-N 1 2 294.301 2.481 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000293096638 377426749 /nfs/dbraw/zinc/42/67/49/377426749.db2.gz KTJGTTQEXFUGOX-UHFFFAOYSA-N 1 2 274.349 2.307 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000293096638 377426752 /nfs/dbraw/zinc/42/67/52/377426752.db2.gz KTJGTTQEXFUGOX-UHFFFAOYSA-N 1 2 274.349 2.307 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429700985 377519649 /nfs/dbraw/zinc/51/96/49/377519649.db2.gz STGALNVQEYERCX-BFYDXBDKSA-N 1 2 284.407 2.452 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000265449397 190183032 /nfs/dbraw/zinc/18/30/32/190183032.db2.gz RVUWELJNTHFXAC-NSHDSACASA-N 1 2 258.325 2.098 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1)C1CC1 ZINC000332817677 377703575 /nfs/dbraw/zinc/70/35/75/377703575.db2.gz OUEWXUXRQUWAGD-WBVHZDCISA-N 1 2 298.390 2.027 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1)C1CC1 ZINC000332817677 377703582 /nfs/dbraw/zinc/70/35/82/377703582.db2.gz OUEWXUXRQUWAGD-WBVHZDCISA-N 1 2 298.390 2.027 20 30 CEEDLO C[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)CC(C)(C)C#N ZINC000433300262 377785433 /nfs/dbraw/zinc/78/54/33/377785433.db2.gz SRPBUWKVZNFMBB-UHFFFAOYSA-N 1 2 295.333 2.063 20 30 CEEDLO C[N@H+](CC(=O)NCc1cc(F)cc(F)c1)CC(C)(C)C#N ZINC000433300262 377785428 /nfs/dbraw/zinc/78/54/28/377785428.db2.gz SRPBUWKVZNFMBB-UHFFFAOYSA-N 1 2 295.333 2.063 20 30 CEEDLO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000435532177 377807193 /nfs/dbraw/zinc/80/71/93/377807193.db2.gz DAMPCLPOBNDXCA-HNNXBMFYSA-N 1 2 276.380 2.197 20 30 CEEDLO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000435532177 377807198 /nfs/dbraw/zinc/80/71/98/377807198.db2.gz DAMPCLPOBNDXCA-HNNXBMFYSA-N 1 2 276.380 2.197 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000435533599 377807215 /nfs/dbraw/zinc/80/72/15/377807215.db2.gz WHSKKVXFRYZHJJ-OAHLLOKOSA-N 1 2 274.364 2.000 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000435533599 377807219 /nfs/dbraw/zinc/80/72/19/377807219.db2.gz WHSKKVXFRYZHJJ-OAHLLOKOSA-N 1 2 274.364 2.000 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(Cc2ccccc2C)no1 ZINC000567441895 377818223 /nfs/dbraw/zinc/81/82/23/377818223.db2.gz RRGJWAYDVZRAHW-CABCVRRESA-N 1 2 299.374 2.402 20 30 CEEDLO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433304756 377787830 /nfs/dbraw/zinc/78/78/30/377787830.db2.gz LHUAFMOWDXCMOQ-ZDUSSCGKSA-N 1 2 273.380 2.345 20 30 CEEDLO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000433304756 377787833 /nfs/dbraw/zinc/78/78/33/377787833.db2.gz LHUAFMOWDXCMOQ-ZDUSSCGKSA-N 1 2 273.380 2.345 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C)cc1 ZINC000567102707 377800136 /nfs/dbraw/zinc/80/01/36/377800136.db2.gz SARBCGOFYJHPFV-OAHLLOKOSA-N 1 2 274.364 2.136 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(C)cc1 ZINC000567102707 377800144 /nfs/dbraw/zinc/80/01/44/377800144.db2.gz SARBCGOFYJHPFV-OAHLLOKOSA-N 1 2 274.364 2.136 20 30 CEEDLO OCC[C@H]1CSCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441159546 377934408 /nfs/dbraw/zinc/93/44/08/377934408.db2.gz SZWFDIQEXUHLNF-AWEZNQCLSA-N 1 2 295.835 2.491 20 30 CEEDLO OCC[C@H]1CSCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441159546 377934413 /nfs/dbraw/zinc/93/44/13/377934413.db2.gz SZWFDIQEXUHLNF-AWEZNQCLSA-N 1 2 295.835 2.491 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295172386 378046001 /nfs/dbraw/zinc/04/60/01/378046001.db2.gz OONHXVYCJOSGQM-AWEZNQCLSA-N 1 2 273.380 2.103 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295172386 378046007 /nfs/dbraw/zinc/04/60/07/378046007.db2.gz OONHXVYCJOSGQM-AWEZNQCLSA-N 1 2 273.380 2.103 20 30 CEEDLO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CC[S@@]1=O ZINC000444637208 378077032 /nfs/dbraw/zinc/07/70/32/378077032.db2.gz IDQKCBNPQMRJCW-PXAZEXFGSA-N 1 2 256.415 2.159 20 30 CEEDLO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[S@@]1=O ZINC000444637208 378077037 /nfs/dbraw/zinc/07/70/37/378077037.db2.gz IDQKCBNPQMRJCW-PXAZEXFGSA-N 1 2 256.415 2.159 20 30 CEEDLO COCCO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000444747608 378079701 /nfs/dbraw/zinc/07/97/01/378079701.db2.gz BFYGHBPDIKDFES-HNNXBMFYSA-N 1 2 293.794 2.429 20 30 CEEDLO COCCO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000444747608 378079712 /nfs/dbraw/zinc/07/97/12/378079712.db2.gz BFYGHBPDIKDFES-HNNXBMFYSA-N 1 2 293.794 2.429 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725405 378079888 /nfs/dbraw/zinc/07/98/88/378079888.db2.gz GSWVLVVDGYMFTP-GRYCIOLGSA-N 1 2 289.301 2.065 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725405 378079894 /nfs/dbraw/zinc/07/98/94/378079894.db2.gz GSWVLVVDGYMFTP-GRYCIOLGSA-N 1 2 289.301 2.065 20 30 CEEDLO C=C(CC)C[NH2+][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444746602 378080773 /nfs/dbraw/zinc/08/07/73/378080773.db2.gz FCAUNVYYBGQILV-SWLSCSKDSA-N 1 2 269.385 2.289 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1cccc(C#N)c1 ZINC000346722487 218000430 /nfs/dbraw/zinc/00/04/30/218000430.db2.gz RFPYQPPLOHIEKS-UHFFFAOYSA-N 1 2 253.261 2.214 20 30 CEEDLO N#Cc1nc(N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000299567346 379048148 /nfs/dbraw/zinc/04/81/48/379048148.db2.gz AZGXPRGGKWTDAU-UHFFFAOYSA-N 1 2 299.765 2.328 20 30 CEEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1Cl ZINC000505661489 379086559 /nfs/dbraw/zinc/08/65/59/379086559.db2.gz 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C#CCOc1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1 ZINC000375935375 395104435 /nfs/dbraw/zinc/10/44/35/395104435.db2.gz ZZRGMQCVIRBGAL-JLTOFOAXSA-N 1 2 291.416 2.042 20 30 CEEDLO C=CCC1(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CCC1 ZINC000376193922 395112598 /nfs/dbraw/zinc/11/25/98/395112598.db2.gz FBXRTAQNSWODIQ-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1F ZINC000291905170 395180064 /nfs/dbraw/zinc/18/00/64/395180064.db2.gz RLWJJLHCOQLQCK-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1F ZINC000291905170 395180073 /nfs/dbraw/zinc/18/00/73/395180073.db2.gz RLWJJLHCOQLQCK-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000293288112 395226129 /nfs/dbraw/zinc/22/61/29/395226129.db2.gz VVLMXPFQHNRJRX-UHFFFAOYSA-N 1 2 256.349 2.069 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000293288112 395226134 /nfs/dbraw/zinc/22/61/34/395226134.db2.gz VVLMXPFQHNRJRX-UHFFFAOYSA-N 1 2 256.349 2.069 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000293299498 395227868 /nfs/dbraw/zinc/22/78/68/395227868.db2.gz WKGKRNYXTYACLF-CYBMUJFWSA-N 1 2 254.337 2.283 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000293299498 395227872 /nfs/dbraw/zinc/22/78/72/395227872.db2.gz WKGKRNYXTYACLF-CYBMUJFWSA-N 1 2 254.337 2.283 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000351729794 395231821 /nfs/dbraw/zinc/23/18/21/395231821.db2.gz IVHQEPBKHOXLDD-LLVKDONJSA-N 1 2 285.347 2.142 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000351729794 395231826 /nfs/dbraw/zinc/23/18/26/395231826.db2.gz IVHQEPBKHOXLDD-LLVKDONJSA-N 1 2 285.347 2.142 20 30 CEEDLO C=C(Br)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293502617 395237290 /nfs/dbraw/zinc/23/72/90/395237290.db2.gz ZTGNETMVPNMYBX-CYBMUJFWSA-N 1 2 284.197 2.430 20 30 CEEDLO C=C(Br)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293502617 395237294 /nfs/dbraw/zinc/23/72/94/395237294.db2.gz ZTGNETMVPNMYBX-CYBMUJFWSA-N 1 2 284.197 2.430 20 30 CEEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000293518026 395237649 /nfs/dbraw/zinc/23/76/49/395237649.db2.gz IKKPNVIKVRVGGA-LBPRGKRZSA-N 1 2 251.330 2.108 20 30 CEEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000293518026 395237652 /nfs/dbraw/zinc/23/76/52/395237652.db2.gz IKKPNVIKVRVGGA-LBPRGKRZSA-N 1 2 251.330 2.108 20 30 CEEDLO C[C@@H]1OCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000520820107 395252879 /nfs/dbraw/zinc/25/28/79/395252879.db2.gz YSGSUVQKOQZUAY-QWRGUYRKSA-N 1 2 275.308 2.076 20 30 CEEDLO C[C@@H]1OCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000520820107 395252881 /nfs/dbraw/zinc/25/28/81/395252881.db2.gz YSGSUVQKOQZUAY-QWRGUYRKSA-N 1 2 275.308 2.076 20 30 CEEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2C)C(C)(C)C1=O ZINC000186559430 395291855 /nfs/dbraw/zinc/29/18/55/395291855.db2.gz LWNNXNOYOOPMOY-UHFFFAOYSA-N 1 2 285.391 2.309 20 30 CEEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2C)C(C)(C)C1=O ZINC000186559430 395291857 /nfs/dbraw/zinc/29/18/57/395291857.db2.gz LWNNXNOYOOPMOY-UHFFFAOYSA-N 1 2 285.391 2.309 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[S@@](=O)[C@H](C)C2)cc1 ZINC000353800901 395308486 /nfs/dbraw/zinc/30/84/86/395308486.db2.gz BUWFVTURTCUGLS-BFUOFWGJSA-N 1 2 279.405 2.204 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[S@@](=O)[C@H](C)C2)cc1 ZINC000353800901 395308489 /nfs/dbraw/zinc/30/84/89/395308489.db2.gz BUWFVTURTCUGLS-BFUOFWGJSA-N 1 2 279.405 2.204 20 30 CEEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439274234 395255094 /nfs/dbraw/zinc/25/50/94/395255094.db2.gz OOPOGOWIIZOGQU-FZMZJTMJSA-N 1 2 294.782 2.447 20 30 CEEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439274234 395255098 /nfs/dbraw/zinc/25/50/98/395255098.db2.gz OOPOGOWIIZOGQU-FZMZJTMJSA-N 1 2 294.782 2.447 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)N(C)C(C)C)Cc1ccc(CO)o1 ZINC000352815477 395270734 /nfs/dbraw/zinc/27/07/34/395270734.db2.gz MKBXVARBVJOBSF-UHFFFAOYSA-N 1 2 294.395 2.017 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)N(C)C(C)C)Cc1ccc(CO)o1 ZINC000352815477 395270740 /nfs/dbraw/zinc/27/07/40/395270740.db2.gz MKBXVARBVJOBSF-UHFFFAOYSA-N 1 2 294.395 2.017 20 30 CEEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411572022 395332501 /nfs/dbraw/zinc/33/25/01/395332501.db2.gz QRSSFVQTVFOIME-CYBMUJFWSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411572022 395332506 /nfs/dbraw/zinc/33/25/06/395332506.db2.gz QRSSFVQTVFOIME-CYBMUJFWSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000411754383 395338834 /nfs/dbraw/zinc/33/88/34/395338834.db2.gz GQHJRYZCVYEALD-CYBMUJFWSA-N 1 2 281.363 2.318 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000411754383 395338838 /nfs/dbraw/zinc/33/88/38/395338838.db2.gz GQHJRYZCVYEALD-CYBMUJFWSA-N 1 2 281.363 2.318 20 30 CEEDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCC2 ZINC000449632140 395558273 /nfs/dbraw/zinc/55/82/73/395558273.db2.gz MGIFZFMYCFVQBZ-NEPJUHHUSA-N 1 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/nfs/dbraw/zinc/96/34/96/395963496.db2.gz SYFOQIWLKLMNRC-UHFFFAOYSA-N 1 2 283.375 2.495 20 30 CEEDLO C=C(C)[C@H](CO)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000649393493 396140141 /nfs/dbraw/zinc/14/01/41/396140141.db2.gz WXSSNVRZSPTQDF-YOEHRIQHSA-N 1 2 292.398 2.441 20 30 CEEDLO C=C(C)[C@H](CC(=O)NC(C)(C)c1[nH]cc[nH+]1)OCC ZINC000652411941 401506381 /nfs/dbraw/zinc/50/63/81/401506381.db2.gz AOBSIAJHRSSKDS-NSHDSACASA-N 1 2 265.357 2.132 20 30 CEEDLO C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000360379581 155286952 /nfs/dbraw/zinc/28/69/52/155286952.db2.gz UGQGSMQBZSSKIX-AWEZNQCLSA-N 1 2 296.374 2.407 20 30 CEEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191308226 153169566 /nfs/dbraw/zinc/16/95/66/153169566.db2.gz KJSOFLOUTHQUMD-CQSZACIVSA-N 1 2 298.394 2.236 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000227269439 153342946 /nfs/dbraw/zinc/34/29/46/153342946.db2.gz HSLHFIODUQUSIY-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000227269439 153342949 /nfs/dbraw/zinc/34/29/49/153342949.db2.gz HSLHFIODUQUSIY-NWDGAFQWSA-N 1 2 260.337 2.176 20 30 CEEDLO Cc1ccc(N2CCCN(c3cccc[nH+]3)CC2)nc1C#N ZINC000302783399 154191238 /nfs/dbraw/zinc/19/12/38/154191238.db2.gz TZVNEKFNBROTOP-UHFFFAOYSA-N 1 2 293.374 2.373 20 30 CEEDLO Cc1nc([C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311197 154221058 /nfs/dbraw/zinc/22/10/58/154221058.db2.gz LYKMUXDHNJOGPM-XHDPSFHLSA-N 1 2 298.346 2.384 20 30 CEEDLO Cc1nc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311197 154221066 /nfs/dbraw/zinc/22/10/66/154221066.db2.gz LYKMUXDHNJOGPM-XHDPSFHLSA-N 1 2 298.346 2.384 20 30 CEEDLO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000354727782 154345549 /nfs/dbraw/zinc/34/55/49/154345549.db2.gz HGFYDHNHEJCWJY-XYPHTWIQSA-N 1 2 286.375 2.499 20 30 CEEDLO C[C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)O1 ZINC000354727782 154345554 /nfs/dbraw/zinc/34/55/54/154345554.db2.gz HGFYDHNHEJCWJY-XYPHTWIQSA-N 1 2 286.375 2.499 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC2(CCOCC2)O1 ZINC000364007990 156061010 /nfs/dbraw/zinc/06/10/10/156061010.db2.gz NTORXBQIENCFBB-AWEZNQCLSA-N 1 2 286.375 2.328 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC2(CCOCC2)O1 ZINC000364007990 156061013 /nfs/dbraw/zinc/06/10/13/156061013.db2.gz NTORXBQIENCFBB-AWEZNQCLSA-N 1 2 286.375 2.328 20 30 CEEDLO N#Cc1cccc(CCNc2cccc(-n3cc[nH+]c3)n2)c1 ZINC000376132389 157189695 /nfs/dbraw/zinc/18/96/95/157189695.db2.gz MABWACILRRSCLQ-UHFFFAOYSA-N 1 2 289.342 2.215 20 30 CEEDLO N#Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c[nH]1 ZINC000180687680 165318700 /nfs/dbraw/zinc/31/87/00/165318700.db2.gz QUDFZFKNRQLMGT-UHFFFAOYSA-N 1 2 277.287 2.324 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000180762363 165321922 /nfs/dbraw/zinc/32/19/22/165321922.db2.gz YSJAGSQYUZGCFN-LBPRGKRZSA-N 1 2 264.350 2.147 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000180762363 165321925 /nfs/dbraw/zinc/32/19/25/165321925.db2.gz YSJAGSQYUZGCFN-LBPRGKRZSA-N 1 2 264.350 2.147 20 30 CEEDLO C=C(C)[C@@H]([NH2+][C@@H]1CON(CC)C1=O)c1ccc(F)c(F)c1 ZINC000660312274 414765212 /nfs/dbraw/zinc/76/52/12/414765212.db2.gz OYLBTRXTTAKMKE-ZIAGYGMSSA-N 1 2 296.317 2.334 20 30 CEEDLO C=CCCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000660386813 414798495 /nfs/dbraw/zinc/79/84/95/414798495.db2.gz CVWAOKZVBCUPBZ-UHFFFAOYSA-N 1 2 276.384 2.303 20 30 CEEDLO C=CCCN(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000655020148 415079374 /nfs/dbraw/zinc/07/93/74/415079374.db2.gz OFFHUAYXARRFCQ-SNVBAGLBSA-N 1 2 289.301 2.491 20 30 CEEDLO C=CC[N@H+](Cc1nnc(C(C)C)o1)[C@H](C)COC ZINC000661243654 415154072 /nfs/dbraw/zinc/15/40/72/415154072.db2.gz MDIIKRLCOJGLKZ-LLVKDONJSA-N 1 2 253.346 2.216 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(C(C)C)o1)[C@H](C)COC ZINC000661243654 415154080 /nfs/dbraw/zinc/15/40/80/415154080.db2.gz MDIIKRLCOJGLKZ-LLVKDONJSA-N 1 2 253.346 2.216 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)COC ZINC000661241829 415154483 /nfs/dbraw/zinc/15/44/83/415154483.db2.gz BXZBRIQJOQGELY-ZDUSSCGKSA-N 1 2 292.379 2.157 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@@H](C)COC ZINC000661241829 415154489 /nfs/dbraw/zinc/15/44/89/415154489.db2.gz BXZBRIQJOQGELY-ZDUSSCGKSA-N 1 2 292.379 2.157 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)COC ZINC000661242625 415155541 /nfs/dbraw/zinc/15/55/41/415155541.db2.gz DDLZKQNMORXFLS-ZDUSSCGKSA-N 1 2 292.379 2.157 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)COC ZINC000661242625 415155545 /nfs/dbraw/zinc/15/55/45/415155545.db2.gz DDLZKQNMORXFLS-ZDUSSCGKSA-N 1 2 292.379 2.157 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)COC ZINC000661241828 415155600 /nfs/dbraw/zinc/15/56/00/415155600.db2.gz BXZBRIQJOQGELY-CYBMUJFWSA-N 1 2 292.379 2.157 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)COC ZINC000661241828 415155604 /nfs/dbraw/zinc/15/56/04/415155604.db2.gz BXZBRIQJOQGELY-CYBMUJFWSA-N 1 2 292.379 2.157 20 30 CEEDLO CC#CC[C@H](CO)Nc1cc(Nc2ccccc2)nc[nH+]1 ZINC000664058446 415144709 /nfs/dbraw/zinc/14/47/09/415144709.db2.gz UWTHNBUQRJACFJ-CQSZACIVSA-N 1 2 282.347 2.406 20 30 CEEDLO CC#CC[C@H](CO)Nc1cc(Nc2ccccc2)[nH+]cn1 ZINC000664058446 415144714 /nfs/dbraw/zinc/14/47/14/415144714.db2.gz UWTHNBUQRJACFJ-CQSZACIVSA-N 1 2 282.347 2.406 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1[nH+]ccn1CC ZINC000661261913 415168323 /nfs/dbraw/zinc/16/83/23/415168323.db2.gz MIJDDICJOGWLEL-BETUJISGSA-N 1 2 274.368 2.296 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2c(cc1C#N)CCC2 ZINC000044419846 175173773 /nfs/dbraw/zinc/17/37/73/175173773.db2.gz WOSFSOLHFQDBST-NSHDSACASA-N 1 2 267.336 2.139 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661472388 415277967 /nfs/dbraw/zinc/27/79/67/415277967.db2.gz UHXQFEWOYUOZJS-CQSZACIVSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661472388 415277969 /nfs/dbraw/zinc/27/79/69/415277969.db2.gz UHXQFEWOYUOZJS-CQSZACIVSA-N 1 2 280.412 2.054 20 30 CEEDLO C=CCOCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000664388519 415316974 /nfs/dbraw/zinc/31/69/74/415316974.db2.gz QKYCLXMAPLBELO-UHFFFAOYSA-N 1 2 258.325 2.217 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000662166071 415669155 /nfs/dbraw/zinc/66/91/55/415669155.db2.gz ZIZBWXIZMVTMFL-ZYHUDNBSSA-N 1 2 291.326 2.382 20 30 CEEDLO N#CC1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000335036833 225398900 /nfs/dbraw/zinc/39/89/00/225398900.db2.gz ZXOLGEYPKGSQSI-UHFFFAOYSA-N 1 2 280.331 2.438 20 30 CEEDLO N#C[C@H]1CC[C@@H](Nc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000442850340 226066187 /nfs/dbraw/zinc/06/61/87/226066187.db2.gz PDSNYOGJPBDQJL-QWHCGFSZSA-N 1 2 272.352 2.022 20 30 CEEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352458432 226966586 /nfs/dbraw/zinc/96/65/86/226966586.db2.gz KGXTWLTZIAIHMX-GFCCVEGCSA-N 1 2 275.327 2.341 20 30 CEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(F)(C#N)CC2)[C@@H]1C ZINC000352492015 287470212 /nfs/dbraw/zinc/47/02/12/287470212.db2.gz UTFJOHWLRICNHQ-MCIONIFRSA-N 1 2 295.402 2.255 20 30 CEEDLO N#CC[C@H](CC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000353354051 228089769 /nfs/dbraw/zinc/08/97/69/228089769.db2.gz YOHDVGXXESJYDJ-MRXNPFEDSA-N 1 2 296.374 2.477 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(C(C)(C)C)n1 ZINC000517238511 260125967 /nfs/dbraw/zinc/12/59/67/260125967.db2.gz CLIHRINEEBYMOL-AWEZNQCLSA-N 1 2 294.424 2.014 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCCCNC1=O ZINC000298069247 260142551 /nfs/dbraw/zinc/14/25/51/260142551.db2.gz JJFKDCKWTWVRRV-OAHLLOKOSA-N 1 2 276.355 2.482 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCCCNC1=O ZINC000298069247 260142553 /nfs/dbraw/zinc/14/25/53/260142553.db2.gz JJFKDCKWTWVRRV-OAHLLOKOSA-N 1 2 276.355 2.482 20 30 CEEDLO C=C(Cl)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000298745882 260161592 /nfs/dbraw/zinc/16/15/92/260161592.db2.gz CDQUIGYBRDIOTF-LBPRGKRZSA-N 1 2 273.785 2.114 20 30 CEEDLO C=CCOCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000517801284 260307772 /nfs/dbraw/zinc/30/77/72/260307772.db2.gz FMCDQVPZOGBIQO-UHFFFAOYSA-N 1 2 257.293 2.218 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C)(C#N)CC1 ZINC000408159217 260318787 /nfs/dbraw/zinc/31/87/87/260318787.db2.gz OLMRYSNZKJBJMM-NSHDSACASA-N 1 2 252.358 2.342 20 30 CEEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177113918 261332829 /nfs/dbraw/zinc/33/28/29/261332829.db2.gz ISKMFZNZSZCBPL-OAHLLOKOSA-N 1 2 290.794 2.148 20 30 CEEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177113918 261332831 /nfs/dbraw/zinc/33/28/31/261332831.db2.gz ISKMFZNZSZCBPL-OAHLLOKOSA-N 1 2 290.794 2.148 20 30 CEEDLO CCc1nn(C)c(Cl)c1C[NH2+][C@@H](CC)CC#N ZINC000184094671 262009311 /nfs/dbraw/zinc/00/93/11/262009311.db2.gz MOELJEUKDWYGIK-VIFPVBQESA-N 1 2 254.765 2.418 20 30 CEEDLO C#CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000364044196 262118126 /nfs/dbraw/zinc/11/81/26/262118126.db2.gz TUEKWYYXBMWIRK-HOTGVXAUSA-N 1 2 293.370 2.326 20 30 CEEDLO N#CCC[N@H+](CC[C@H]1CCCO1)Cc1ccccn1 ZINC000189511068 262172250 /nfs/dbraw/zinc/17/22/50/262172250.db2.gz ALLXSICWUCFGEO-OAHLLOKOSA-N 1 2 259.353 2.366 20 30 CEEDLO N#CCC[N@@H+](CC[C@H]1CCCO1)Cc1ccccn1 ZINC000189511068 262172251 /nfs/dbraw/zinc/17/22/51/262172251.db2.gz ALLXSICWUCFGEO-OAHLLOKOSA-N 1 2 259.353 2.366 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364420994 262236724 /nfs/dbraw/zinc/23/67/24/262236724.db2.gz SLYLLSFILVJAEO-SNVBAGLBSA-N 1 2 287.285 2.022 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)CC(C)(C)C#N)n(C)c1C ZINC000354019277 262276739 /nfs/dbraw/zinc/27/67/39/262276739.db2.gz WPEBIYCSHPPINS-UHFFFAOYSA-N 1 2 277.368 2.102 20 30 CEEDLO N#CC1(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CCCC1 ZINC000365084103 262277242 /nfs/dbraw/zinc/27/72/42/262277242.db2.gz WQOPVWHDNCDEFI-CQSZACIVSA-N 1 2 298.390 2.251 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488485698 262327759 /nfs/dbraw/zinc/32/77/59/262327759.db2.gz YOPSWFWYGPRLAA-STQMWFEESA-N 1 2 276.384 2.242 20 30 CEEDLO C[C@H]1C[C@H](CC/[NH+]=C/c2ccc(O)c(O)c2O)CCO1 ZINC000273364899 263016097 /nfs/dbraw/zinc/01/60/97/263016097.db2.gz UGQMFGWOSQYPLN-LJJSPEIYSA-N 1 2 279.336 2.428 20 30 CEEDLO NC(COc1cccc(F)c1)=[NH+]OCCCCCCO ZINC000275546189 263033582 /nfs/dbraw/zinc/03/35/82/263033582.db2.gz UHJUBJXVQSOMHK-UHFFFAOYSA-N 1 2 284.331 2.046 20 30 CEEDLO CCOC(=O)c1csc(C2CC[NH+](CCC#N)CC2)n1 ZINC000277331755 263040599 /nfs/dbraw/zinc/04/05/99/263040599.db2.gz VPLGPLCMCBRRIP-UHFFFAOYSA-N 1 2 293.392 2.413 20 30 CEEDLO CC1(C)CCCN(C(=O)c2ccc3[nH+]ccn3c2)[C@H]1C#N ZINC000277802973 263043467 /nfs/dbraw/zinc/04/34/67/263043467.db2.gz GNHQLRGHLPVNET-ZDUSSCGKSA-N 1 2 282.347 2.489 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2NCC1CCC(C#N)CC1 ZINC000281668614 263071242 /nfs/dbraw/zinc/07/12/42/263071242.db2.gz PJLRZMUFNOJWJU-UHFFFAOYSA-N 1 2 270.340 2.105 20 30 CEEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282907775 263079444 /nfs/dbraw/zinc/07/94/44/263079444.db2.gz XEHNVHCWYPMKOZ-UHFFFAOYSA-N 1 2 285.391 2.198 20 30 CEEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282907775 263079445 /nfs/dbraw/zinc/07/94/45/263079445.db2.gz XEHNVHCWYPMKOZ-UHFFFAOYSA-N 1 2 285.391 2.198 20 30 CEEDLO NC(=[NH+]OCc1ccc(Cl)cc1F)[C@@H]1CCCO1 ZINC000284494757 263087018 /nfs/dbraw/zinc/08/70/18/263087018.db2.gz SOHSAWGUGYVBSB-NSHDSACASA-N 1 2 272.707 2.447 20 30 CEEDLO CC(C)(C#N)Cc1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000288880057 263106361 /nfs/dbraw/zinc/10/63/61/263106361.db2.gz DGRAKVZUVUYIOA-UHFFFAOYSA-N 1 2 294.318 2.410 20 30 CEEDLO Cc1ncsc1CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000289469766 263110417 /nfs/dbraw/zinc/11/04/17/263110417.db2.gz WWMFFXLJKBDGRB-SNVBAGLBSA-N 1 2 271.386 2.301 20 30 CEEDLO C#CCCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290706882 263118351 /nfs/dbraw/zinc/11/83/51/263118351.db2.gz NRBMUAAZUDBVHB-UHFFFAOYSA-N 1 2 256.309 2.259 20 30 CEEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000291448166 263122592 /nfs/dbraw/zinc/12/25/92/263122592.db2.gz NPTYAAZXNUKCDO-MRXNPFEDSA-N 1 2 280.331 2.294 20 30 CEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000291471401 263122988 /nfs/dbraw/zinc/12/29/88/263122988.db2.gz QJCLWHWGTHJMDN-KRWDZBQOSA-N 1 2 294.358 2.353 20 30 CEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000291486305 263123195 /nfs/dbraw/zinc/12/31/95/263123195.db2.gz SHWUYGAYMIAZOC-KRWDZBQOSA-N 1 2 294.358 2.353 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000292263507 263130433 /nfs/dbraw/zinc/13/04/33/263130433.db2.gz ROKPXIZZASSANR-INIZCTEOSA-N 1 2 258.365 2.382 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000292263507 263130434 /nfs/dbraw/zinc/13/04/34/263130434.db2.gz ROKPXIZZASSANR-INIZCTEOSA-N 1 2 258.365 2.382 20 30 CEEDLO C=CCN(CCC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000292298357 263130692 /nfs/dbraw/zinc/13/06/92/263130692.db2.gz URVCSEMRTZWSNB-UHFFFAOYSA-N 1 2 272.274 2.347 20 30 CEEDLO C[C@H]1C[N@H+](CCOCCC#N)C[C@@H](c2ccsc2)O1 ZINC000292928947 263136499 /nfs/dbraw/zinc/13/64/99/263136499.db2.gz YUMSPNOWFXRACP-JSGCOSHPSA-N 1 2 280.393 2.440 20 30 CEEDLO C[C@H]1C[N@@H+](CCOCCC#N)C[C@@H](c2ccsc2)O1 ZINC000292928947 263136500 /nfs/dbraw/zinc/13/65/00/263136500.db2.gz YUMSPNOWFXRACP-JSGCOSHPSA-N 1 2 280.393 2.440 20 30 CEEDLO Cn1c(Cl)cnc1C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000294743820 263167118 /nfs/dbraw/zinc/16/71/18/263167118.db2.gz XBLXOBZICSZWCN-ZJUUUORDSA-N 1 2 252.749 2.198 20 30 CEEDLO Cn1c(Cl)cnc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000294743820 263167120 /nfs/dbraw/zinc/16/71/20/263167120.db2.gz XBLXOBZICSZWCN-ZJUUUORDSA-N 1 2 252.749 2.198 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+](C)[C@@H](C)CC#N)[nH]c1C ZINC000294856852 263168619 /nfs/dbraw/zinc/16/86/19/263168619.db2.gz PHASZBHTBZZJIC-JTQLQIEISA-N 1 2 263.341 2.234 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+](C)[C@@H](C)CC#N)[nH]c1C ZINC000294856852 263168620 /nfs/dbraw/zinc/16/86/20/263168620.db2.gz PHASZBHTBZZJIC-JTQLQIEISA-N 1 2 263.341 2.234 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000299150430 263232214 /nfs/dbraw/zinc/23/22/14/263232214.db2.gz FAIXTBGUSPJWLC-AAEUAGOBSA-N 1 2 282.771 2.171 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000299150430 263232215 /nfs/dbraw/zinc/23/22/15/263232215.db2.gz FAIXTBGUSPJWLC-AAEUAGOBSA-N 1 2 282.771 2.171 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000299171760 263233521 /nfs/dbraw/zinc/23/35/21/263233521.db2.gz STHUHQDXCXQIHD-MGPQQGTHSA-N 1 2 273.380 2.344 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000299171760 263233522 /nfs/dbraw/zinc/23/35/22/263233522.db2.gz STHUHQDXCXQIHD-MGPQQGTHSA-N 1 2 273.380 2.344 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CC=CCC2)c1O ZINC000299254093 263236254 /nfs/dbraw/zinc/23/62/54/263236254.db2.gz FJLUIJBNRGTZRS-GFQQVXNGSA-N 1 2 260.337 2.363 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000353097256 263286030 /nfs/dbraw/zinc/28/60/30/263286030.db2.gz 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/nfs/dbraw/zinc/89/98/76/263899876.db2.gz GVZITDJCTJQKHA-ZDUSSCGKSA-N 1 2 288.395 2.365 20 30 CEEDLO CO[C@@H](C)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331060368 264110133 /nfs/dbraw/zinc/11/01/33/264110133.db2.gz MXNYVTYMWZGDNW-VIFPVBQESA-N 1 2 261.325 2.221 20 30 CEEDLO CCN1CCN(C(=O)NCCC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000331032486 264120018 /nfs/dbraw/zinc/12/00/18/264120018.db2.gz VEZRDKWUBQRCJA-ZDUSSCGKSA-N 1 2 293.415 2.048 20 30 CEEDLO C=CCCCN(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000076946113 264350864 /nfs/dbraw/zinc/35/08/64/264350864.db2.gz OAJZEDFCXVCPQS-UHFFFAOYSA-N 1 2 299.378 2.375 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000130813889 264368888 /nfs/dbraw/zinc/36/88/88/264368888.db2.gz IAWXJWUNWODWTH-ZDUSSCGKSA-N 1 2 279.384 2.137 20 30 CEEDLO C#C[C@H](NC(=O)Cn1c(CC)[nH+]c2ccccc21)C(C)C ZINC000281985188 264491272 /nfs/dbraw/zinc/49/12/72/264491272.db2.gz JNVNAPRDSCAHSX-ZDUSSCGKSA-N 1 2 283.375 2.373 20 30 CEEDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(C#N)cc1Cl ZINC000525886026 265035158 /nfs/dbraw/zinc/03/51/58/265035158.db2.gz GTZIYEJAZRPXQB-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(C#N)cc1Cl ZINC000525886026 265035160 /nfs/dbraw/zinc/03/51/60/265035160.db2.gz GTZIYEJAZRPXQB-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cnc(-c2ccccn2)s1 ZINC000093475635 265182352 /nfs/dbraw/zinc/18/23/52/265182352.db2.gz PEOSPENAEVUCGZ-UHFFFAOYSA-N 1 2 267.357 2.274 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@H](C)CC)Cc1ccc(F)cc1 ZINC000195195080 265353045 /nfs/dbraw/zinc/35/30/45/265353045.db2.gz ZZMVEBVOBXSVRF-CYBMUJFWSA-N 1 2 276.355 2.176 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@H](C)CC)Cc1ccc(F)cc1 ZINC000195195080 265353048 /nfs/dbraw/zinc/35/30/48/265353048.db2.gz ZZMVEBVOBXSVRF-CYBMUJFWSA-N 1 2 276.355 2.176 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1(C)CCCCC1 ZINC000519649869 265516987 /nfs/dbraw/zinc/51/69/87/265516987.db2.gz LPGNEPZCPNGCIY-HNNXBMFYSA-N 1 2 265.401 2.307 20 30 CEEDLO CC#CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000357640323 266338525 /nfs/dbraw/zinc/33/85/25/266338525.db2.gz QISJTZOCYYIHCQ-UHFFFAOYSA-N 1 2 262.784 2.481 20 30 CEEDLO CCCC(O)(CCC)CNc1cc(C)[nH+]cc1C#N ZINC000425239136 267000350 /nfs/dbraw/zinc/00/03/50/267000350.db2.gz VYSLWIPTVCNHJY-UHFFFAOYSA-N 1 2 261.369 2.427 20 30 CEEDLO CN(C)c1[nH+]cccc1N(C)C(=O)CC(C)(C)C#N ZINC000362739385 267040104 /nfs/dbraw/zinc/04/01/04/267040104.db2.gz ADXOOIAQOCBDKN-UHFFFAOYSA-N 1 2 260.341 2.050 20 30 CEEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)CS(C)(=O)=O ZINC000487919565 267069706 /nfs/dbraw/zinc/06/97/06/267069706.db2.gz TZGGJNFRSSBZGV-CYBMUJFWSA-N 1 2 294.420 2.122 20 30 CEEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)CS(C)(=O)=O ZINC000487919565 267069708 /nfs/dbraw/zinc/06/97/08/267069708.db2.gz TZGGJNFRSSBZGV-CYBMUJFWSA-N 1 2 294.420 2.122 20 30 CEEDLO C=CC[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363226467 267081493 /nfs/dbraw/zinc/08/14/93/267081493.db2.gz WGYZKXCJHWXKMT-ZDUSSCGKSA-N 1 2 288.395 2.314 20 30 CEEDLO N#CCC[C@H](C#N)Cn1cc[nH+]c1-c1ccncc1 ZINC000369781593 267266569 /nfs/dbraw/zinc/26/65/69/267266569.db2.gz HLUQCJDKEXKCSC-GFCCVEGCSA-N 1 2 251.293 2.389 20 30 CEEDLO O=C1OCC[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)[C@H]12 ZINC000369975665 267280471 /nfs/dbraw/zinc/28/04/71/267280471.db2.gz SXQAJIUJWLDBSY-HIFRSBDPSA-N 1 2 289.762 2.329 20 30 CEEDLO O=C1OCC[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@H]12 ZINC000369975665 267280472 /nfs/dbraw/zinc/28/04/72/267280472.db2.gz SXQAJIUJWLDBSY-HIFRSBDPSA-N 1 2 289.762 2.329 20 30 CEEDLO C[NH+](C)Cc1csc(NC(=O)c2cscc2C#N)n1 ZINC000457310321 267284493 /nfs/dbraw/zinc/28/44/93/267284493.db2.gz JLRDLEOAOMAGDH-UHFFFAOYSA-N 1 2 292.389 2.390 20 30 CEEDLO Cc1cc(NCCCNC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000399509036 267300600 /nfs/dbraw/zinc/30/06/00/267300600.db2.gz LALIYQNOFIXOLD-UHFFFAOYSA-N 1 2 290.367 2.010 20 30 CEEDLO COc1cc(OC)c(C[NH2+]CC2(C#N)CCC2)c(OC)c1 ZINC000418144296 267365244 /nfs/dbraw/zinc/36/52/44/267365244.db2.gz SKVJEXZPQJARIX-UHFFFAOYSA-N 1 2 290.363 2.496 20 30 CEEDLO Cc1cccc(CCCNc2cncc(C#N)n2)[nH+]1 ZINC000420635621 268051315 /nfs/dbraw/zinc/05/13/15/268051315.db2.gz ZZAJCVUJZSUWMX-UHFFFAOYSA-N 1 2 253.309 2.096 20 30 CEEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)s2)[nH+]1 ZINC000521055796 268070284 /nfs/dbraw/zinc/07/02/84/268070284.db2.gz CSFBPQILUZQUOB-UHFFFAOYSA-N 1 2 274.349 2.316 20 30 CEEDLO Cc1[nH]c2ccc(COc3cnc(C#N)nc3)cc2[nH+]1 ZINC000488757671 268080077 /nfs/dbraw/zinc/08/00/77/268080077.db2.gz ZPDLFHIIPWNADV-UHFFFAOYSA-N 1 2 265.276 2.112 20 30 CEEDLO Cc1[nH]c2cc(COc3cnc(C#N)nc3)ccc2[nH+]1 ZINC000488757671 268080079 /nfs/dbraw/zinc/08/00/79/268080079.db2.gz ZPDLFHIIPWNADV-UHFFFAOYSA-N 1 2 265.276 2.112 20 30 CEEDLO CCOC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399580123 270370817 /nfs/dbraw/zinc/37/08/17/270370817.db2.gz NDOOOESEFXRGAK-UHFFFAOYSA-N 1 2 273.336 2.041 20 30 CEEDLO Cc1cc(N2CCC(NC(=O)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425211102 271139759 /nfs/dbraw/zinc/13/97/59/271139759.db2.gz WRUGCAAXEMDBFD-UHFFFAOYSA-N 1 2 286.379 2.003 20 30 CEEDLO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000425267225 271149736 /nfs/dbraw/zinc/14/97/36/271149736.db2.gz KZRRKBREUVDGJM-UMVBOHGHSA-N 1 2 271.364 2.249 20 30 CEEDLO CCOCCOCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428499114 271275226 /nfs/dbraw/zinc/27/52/26/271275226.db2.gz VVAIWXBKYOHDLL-UHFFFAOYSA-N 1 2 280.343 2.182 20 30 CEEDLO CCOCCOCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428499114 271275227 /nfs/dbraw/zinc/27/52/27/271275227.db2.gz VVAIWXBKYOHDLL-UHFFFAOYSA-N 1 2 280.343 2.182 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CC(F)C1)C2 ZINC000329763284 277270139 /nfs/dbraw/zinc/27/01/39/277270139.db2.gz UIIVTYAARROEPM-LLVKDONJSA-N 1 2 294.374 2.063 20 30 CEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C1CC1 ZINC000329732384 278290968 /nfs/dbraw/zinc/29/09/68/278290968.db2.gz ITRKQYGNBPVIIS-RISCZKNCSA-N 1 2 288.395 2.301 20 30 CEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C1CC1 ZINC000329732384 278290971 /nfs/dbraw/zinc/29/09/71/278290971.db2.gz ITRKQYGNBPVIIS-RISCZKNCSA-N 1 2 288.395 2.301 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000293289609 294037675 /nfs/dbraw/zinc/03/76/75/294037675.db2.gz DDMANSLLXQVWLE-MIMYLULJSA-N 1 2 275.352 2.435 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000293289609 294037678 /nfs/dbraw/zinc/03/76/78/294037678.db2.gz DDMANSLLXQVWLE-MIMYLULJSA-N 1 2 275.352 2.435 20 30 CEEDLO Cn1cc(C(C)(C)[NH2+]Cc2ccc(F)cc2C#N)cn1 ZINC000546001065 298343993 /nfs/dbraw/zinc/34/39/93/298343993.db2.gz OENHCGHPFJBIPU-UHFFFAOYSA-N 1 2 272.327 2.456 20 30 CEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCC(C)(C)C#N ZINC000347197106 302144316 /nfs/dbraw/zinc/14/43/16/302144316.db2.gz KNLFJUGUQXYFCJ-OAHLLOKOSA-N 1 2 285.391 2.408 20 30 CEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C#N ZINC000347197106 302144320 /nfs/dbraw/zinc/14/43/20/302144320.db2.gz KNLFJUGUQXYFCJ-OAHLLOKOSA-N 1 2 285.391 2.408 20 30 CEEDLO N#CC1(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000343667797 303141972 /nfs/dbraw/zinc/14/19/72/303141972.db2.gz NXCIBQKUOMIZML-NXEZZACHSA-N 1 2 262.275 2.068 20 30 CEEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000343667797 303141975 /nfs/dbraw/zinc/14/19/75/303141975.db2.gz NXCIBQKUOMIZML-NXEZZACHSA-N 1 2 262.275 2.068 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000563364734 328059103 /nfs/dbraw/zinc/05/91/03/328059103.db2.gz JOGAUMIIOKIXDZ-LLVKDONJSA-N 1 2 290.323 2.124 20 30 CEEDLO CCn1c[nH+]cc1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000563584800 328074745 /nfs/dbraw/zinc/07/47/45/328074745.db2.gz YTHBZGFIGZOAGR-CVEARBPZSA-N 1 2 288.395 2.330 20 30 CEEDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264572178 328160400 /nfs/dbraw/zinc/16/04/00/328160400.db2.gz SCSDQSKJLBTXCJ-HNNXBMFYSA-N 1 2 288.347 2.116 20 30 CEEDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264572178 328160401 /nfs/dbraw/zinc/16/04/01/328160401.db2.gz SCSDQSKJLBTXCJ-HNNXBMFYSA-N 1 2 288.347 2.116 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ncn(C)n1 ZINC000275813443 328216219 /nfs/dbraw/zinc/21/62/19/328216219.db2.gz LTZVFKQEPQIVMQ-CYBMUJFWSA-N 1 2 298.394 2.016 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ncn(C)n1 ZINC000275813455 328216327 /nfs/dbraw/zinc/21/63/27/328216327.db2.gz LTZVFKQEPQIVMQ-ZDUSSCGKSA-N 1 2 298.394 2.016 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCCc2csc(C)n2)c1 ZINC000276777796 328219339 /nfs/dbraw/zinc/21/93/39/328219339.db2.gz HLCOGTPJEUTWCV-UHFFFAOYSA-N 1 2 291.376 2.340 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000293551040 328276723 /nfs/dbraw/zinc/27/67/23/328276723.db2.gz RDYNXCBFPLPDCG-HNNXBMFYSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000293551040 328276724 /nfs/dbraw/zinc/27/67/24/328276724.db2.gz RDYNXCBFPLPDCG-HNNXBMFYSA-N 1 2 278.327 2.129 20 30 CEEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)nc1N ZINC000580450597 322319420 /nfs/dbraw/zinc/31/94/20/322319420.db2.gz MPWBBNFWKRRMRM-UHFFFAOYSA-N 1 2 294.362 2.086 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000560414429 327306271 /nfs/dbraw/zinc/30/62/71/327306271.db2.gz PXUFDZSDVLSXSA-OLZOCXBDSA-N 1 2 261.325 2.163 20 30 CEEDLO C=CCN(C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C1CC1 ZINC000574836114 327385888 /nfs/dbraw/zinc/38/58/88/327385888.db2.gz QIIGSEBWDCIGEX-ZDUSSCGKSA-N 1 2 274.368 2.231 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H](C)CC#N ZINC000171550367 329077534 /nfs/dbraw/zinc/07/75/34/329077534.db2.gz BBMWZEOEHIZUJH-NSHDSACASA-N 1 2 270.336 2.105 20 30 CEEDLO N#CC1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000582463457 329087343 /nfs/dbraw/zinc/08/73/43/329087343.db2.gz QAAJQROGLXWMIC-UHFFFAOYSA-N 1 2 260.728 2.381 20 30 CEEDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@H+]1CCCCC#N ZINC000184730177 329262553 /nfs/dbraw/zinc/26/25/53/329262553.db2.gz XKXXEMWCMFNQDP-OAHLLOKOSA-N 1 2 289.354 2.301 20 30 CEEDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@@H+]1CCCCC#N ZINC000184730177 329262555 /nfs/dbraw/zinc/26/25/55/329262555.db2.gz XKXXEMWCMFNQDP-OAHLLOKOSA-N 1 2 289.354 2.301 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000185520036 329326055 /nfs/dbraw/zinc/32/60/55/329326055.db2.gz UCLNMJYKMIWZDV-HZPDHXFCSA-N 1 2 294.439 2.302 20 30 CEEDLO C=C(C)CNC(=O)Cn1c2ccccc2[nH+]c1CC ZINC000161292227 329925883 /nfs/dbraw/zinc/92/58/83/329925883.db2.gz QRFQWDBXDQPNDI-UHFFFAOYSA-N 1 2 257.337 2.291 20 30 CEEDLO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423221547 330179670 /nfs/dbraw/zinc/17/96/70/330179670.db2.gz ZSUVBRXNSNVJNP-PRHODGIISA-N 1 2 254.280 2.045 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528313399 330320524 /nfs/dbraw/zinc/32/05/24/330320524.db2.gz DHABLEXWIQPJNI-UHFFFAOYSA-N 1 2 274.368 2.446 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(CC)o2)nn1 ZINC000424297875 330336497 /nfs/dbraw/zinc/33/64/97/330336497.db2.gz RFPYNWQRQQSHSF-LLVKDONJSA-N 1 2 260.341 2.470 20 30 CEEDLO C=CCOc1cccnc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000537146201 330407749 /nfs/dbraw/zinc/40/77/49/330407749.db2.gz VGJMIXIMMAQFPZ-UHFFFAOYSA-N 1 2 283.331 2.332 20 30 CEEDLO N#CCN1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000092936495 330415051 /nfs/dbraw/zinc/41/50/51/330415051.db2.gz OOKCTIQXTNAGOQ-UHFFFAOYSA-N 1 2 276.409 2.052 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000450805599 331000428 /nfs/dbraw/zinc/00/04/28/331000428.db2.gz PGKJKTSBGVJZKX-OLZOCXBDSA-N 1 2 259.353 2.230 20 30 CEEDLO C=CCC[C@H](CO)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000450891692 331005178 /nfs/dbraw/zinc/00/51/78/331005178.db2.gz BDHNACFJXACURV-OAHLLOKOSA-N 1 2 298.390 2.262 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451121342 331016397 /nfs/dbraw/zinc/01/63/97/331016397.db2.gz OALYVTRIUABYLR-VHDGCEQUSA-N 1 2 283.391 2.253 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000451121342 331016398 /nfs/dbraw/zinc/01/63/98/331016398.db2.gz OALYVTRIUABYLR-VHDGCEQUSA-N 1 2 283.391 2.253 20 30 CEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000451202007 331020349 /nfs/dbraw/zinc/02/03/49/331020349.db2.gz WEGHFLFFGWYCLC-IOSBVQAASA-N 1 2 295.402 2.350 20 30 CEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](F)C1 ZINC000451202007 331020350 /nfs/dbraw/zinc/02/03/50/331020350.db2.gz WEGHFLFFGWYCLC-IOSBVQAASA-N 1 2 295.402 2.350 20 30 CEEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000451255254 331022150 /nfs/dbraw/zinc/02/21/50/331022150.db2.gz QSVNLDKZBFTJBE-BJOHPYRUSA-N 1 2 283.335 2.117 20 30 CEEDLO N#CC1(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000451286014 331023055 /nfs/dbraw/zinc/02/30/55/331023055.db2.gz ROCCRVMGOPEJLW-DOTOQJQBSA-N 1 2 288.366 2.480 20 30 CEEDLO N#CC1(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000451286014 331023056 /nfs/dbraw/zinc/02/30/56/331023056.db2.gz ROCCRVMGOPEJLW-DOTOQJQBSA-N 1 2 288.366 2.480 20 30 CEEDLO C=C(C)CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000454535663 331148329 /nfs/dbraw/zinc/14/83/29/331148329.db2.gz QFPVFXDARHDIBM-UHFFFAOYSA-N 1 2 262.357 2.149 20 30 CEEDLO C=CC[C@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455503105 331171156 /nfs/dbraw/zinc/17/11/56/331171156.db2.gz VPSDPTFQZMAYJQ-GFCCVEGCSA-N 1 2 263.341 2.065 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456346513 331190337 /nfs/dbraw/zinc/19/03/37/331190337.db2.gz HHBLOCPVJBSQIE-LBPRGKRZSA-N 1 2 272.352 2.382 20 30 CEEDLO C=C(C)[C@H](CC(=O)N[C@@H](C)c1[nH+]ccn1CC)OCC ZINC000456350330 331190436 /nfs/dbraw/zinc/19/04/36/331190436.db2.gz JRHFKDAHZYCJAW-STQMWFEESA-N 1 2 279.384 2.452 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456352907 331190626 /nfs/dbraw/zinc/19/06/26/331190626.db2.gz MBNRHILZXVABTQ-WFASDCNBSA-N 1 2 279.384 2.309 20 30 CEEDLO C=CC[C@@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000457854354 331236481 /nfs/dbraw/zinc/23/64/81/331236481.db2.gz KBKMOJOAXNOGOK-MRXNPFEDSA-N 1 2 283.375 2.439 20 30 CEEDLO C=C(C)CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000459012136 331266494 /nfs/dbraw/zinc/26/64/94/331266494.db2.gz YBWYMFFVRBXARH-KBPBESRZSA-N 1 2 276.384 2.442 20 30 CEEDLO C=C(CC)CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000459069854 331268955 /nfs/dbraw/zinc/26/89/55/331268955.db2.gz FLCWMXHYLZGEDQ-UONOGXRCSA-N 1 2 276.384 2.442 20 30 CEEDLO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459457742 331282364 /nfs/dbraw/zinc/28/23/64/331282364.db2.gz DIFNTFNJMWWPDZ-CHWSQXEVSA-N 1 2 287.363 2.306 20 30 CEEDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC#N)C1 ZINC000490914190 332128434 /nfs/dbraw/zinc/12/84/34/332128434.db2.gz HNONASRRVCYAJL-LBPRGKRZSA-N 1 2 267.373 2.231 20 30 CEEDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000490914190 332128436 /nfs/dbraw/zinc/12/84/36/332128436.db2.gz HNONASRRVCYAJL-LBPRGKRZSA-N 1 2 267.373 2.231 20 30 CEEDLO C#CC[N@@H+](Cc1nnnn1C(C)(C)C)C1CCCCC1 ZINC000490984387 332135779 /nfs/dbraw/zinc/13/57/79/332135779.db2.gz FEPYZBAXNSYZGK-UHFFFAOYSA-N 1 2 275.400 2.196 20 30 CEEDLO C#CC[N@H+](Cc1nnnn1C(C)(C)C)C1CCCCC1 ZINC000490984387 332135780 /nfs/dbraw/zinc/13/57/80/332135780.db2.gz FEPYZBAXNSYZGK-UHFFFAOYSA-N 1 2 275.400 2.196 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000491125515 332153643 /nfs/dbraw/zinc/15/36/43/332153643.db2.gz FJQWFKYLSCHZHF-UHFFFAOYSA-N 1 2 272.352 2.265 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000491125515 332153645 /nfs/dbraw/zinc/15/36/45/332153645.db2.gz FJQWFKYLSCHZHF-UHFFFAOYSA-N 1 2 272.352 2.265 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000491164813 332159386 /nfs/dbraw/zinc/15/93/86/332159386.db2.gz FWEYVDJMRUOOCQ-UHFFFAOYSA-N 1 2 268.364 2.326 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000491164813 332159387 /nfs/dbraw/zinc/15/93/87/332159387.db2.gz FWEYVDJMRUOOCQ-UHFFFAOYSA-N 1 2 268.364 2.326 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000491438596 332211215 /nfs/dbraw/zinc/21/12/15/332211215.db2.gz DRDRIKMOWMORDU-MRXNPFEDSA-N 1 2 293.370 2.108 20 30 CEEDLO C#C[C@H](CC)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491439441 332211662 /nfs/dbraw/zinc/21/16/62/332211662.db2.gz JQARZTLRFZYZSD-CYBMUJFWSA-N 1 2 267.332 2.322 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2cccnc2)n1 ZINC000491657759 332268919 /nfs/dbraw/zinc/26/89/19/332268919.db2.gz VGCWFZLZSMUFMT-OAHLLOKOSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2cccnc2)n1 ZINC000491657759 332268920 /nfs/dbraw/zinc/26/89/20/332268920.db2.gz VGCWFZLZSMUFMT-OAHLLOKOSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CCN(C)C(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000491714714 332305261 /nfs/dbraw/zinc/30/52/61/332305261.db2.gz HHFJUVRHFDJFRX-UHFFFAOYSA-N 1 2 283.375 2.471 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000491728960 332311643 /nfs/dbraw/zinc/31/16/43/332311643.db2.gz MUYPKFJPBJUTKB-HNNXBMFYSA-N 1 2 268.360 2.322 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000491728960 332311645 /nfs/dbraw/zinc/31/16/45/332311645.db2.gz MUYPKFJPBJUTKB-HNNXBMFYSA-N 1 2 268.360 2.322 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000491734878 332315291 /nfs/dbraw/zinc/31/52/91/332315291.db2.gz JIHDPTWSCJHJDJ-HNNXBMFYSA-N 1 2 284.403 2.379 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000491734878 332315292 /nfs/dbraw/zinc/31/52/92/332315292.db2.gz JIHDPTWSCJHJDJ-HNNXBMFYSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000491740899 332319754 /nfs/dbraw/zinc/31/97/54/332319754.db2.gz RGAGQPANZBNHIU-STQMWFEESA-N 1 2 288.395 2.315 20 30 CEEDLO C#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000491744213 332322297 /nfs/dbraw/zinc/32/22/97/332322297.db2.gz LQSOWXJBDUVHID-ZDUSSCGKSA-N 1 2 287.750 2.486 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000491771390 332337858 /nfs/dbraw/zinc/33/78/58/332337858.db2.gz OOHFMTMMODXWLV-AWEZNQCLSA-N 1 2 296.374 2.095 20 30 CEEDLO C#C[C@H](CC)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491787486 332349819 /nfs/dbraw/zinc/34/98/19/332349819.db2.gz VVVAYVATPBOBIL-CYBMUJFWSA-N 1 2 269.348 2.263 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000491809659 332362564 /nfs/dbraw/zinc/36/25/64/332362564.db2.gz ZDIWHGNKOSEGHJ-UHFFFAOYSA-N 1 2 299.374 2.298 20 30 CEEDLO C#CC[N@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000491809659 332362566 /nfs/dbraw/zinc/36/25/66/332362566.db2.gz ZDIWHGNKOSEGHJ-UHFFFAOYSA-N 1 2 299.374 2.298 20 30 CEEDLO Cc1cc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1F ZINC000493360919 332436997 /nfs/dbraw/zinc/43/69/97/332436997.db2.gz AMRJLKYKMIDHCY-BVBGJJFLSA-N 1 2 289.354 2.107 20 30 CEEDLO C#CC[C@H](CC(F)(F)F)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493799261 332454605 /nfs/dbraw/zinc/45/46/05/332454605.db2.gz XOTLYZPGJHTUJQ-XUIVZRPNSA-N 1 2 299.296 2.377 20 30 CEEDLO C=C(C)[C@H]([NH2+][C@H](C)c1nnnn1C)c1ccc(F)c(F)c1 ZINC000190010000 333201753 /nfs/dbraw/zinc/20/17/53/333201753.db2.gz RBIOMIYMUVNQCO-RNCFNFMXSA-N 1 2 293.321 2.456 20 30 CEEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c1Cl ZINC000576112016 335156092 /nfs/dbraw/zinc/15/60/92/335156092.db2.gz UEGCXFDBAPCHFV-CQSZACIVSA-N 1 2 297.761 2.361 20 30 CEEDLO N#CCC1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000542879589 333847667 /nfs/dbraw/zinc/84/76/67/333847667.db2.gz TVHOZGSUYAVBRV-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO CC#CCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000543607325 333884323 /nfs/dbraw/zinc/88/43/23/333884323.db2.gz QFGRZGALFHIFQT-UHFFFAOYSA-N 1 2 256.309 2.178 20 30 CEEDLO CCOc1c(C[NH2+]C[C@H](C)C#N)c(C)nn1CC(C)C ZINC000543623573 333885230 /nfs/dbraw/zinc/88/52/30/333885230.db2.gz ISYNPSOFQIWTFK-GFCCVEGCSA-N 1 2 278.400 2.496 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000136167695 334148412 /nfs/dbraw/zinc/14/84/12/334148412.db2.gz RXLQAFKXAVQFSH-KRWDZBQOSA-N 1 2 285.391 2.271 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(C)=O)c1 ZINC000572897118 334888892 /nfs/dbraw/zinc/88/88/92/334888892.db2.gz DAJJARWAVQTCAB-CYBMUJFWSA-N 1 2 273.336 2.110 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000577931754 335422812 /nfs/dbraw/zinc/42/28/12/335422812.db2.gz QANCUFJPNWYNTH-OLZOCXBDSA-N 1 2 272.352 2.022 20 30 CEEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)cc1 ZINC000578992057 335696789 /nfs/dbraw/zinc/69/67/89/335696789.db2.gz MRBICWHPNGZFRY-LRDDRELGSA-N 1 2 291.370 2.279 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183834303 335909003 /nfs/dbraw/zinc/90/90/03/335909003.db2.gz OGZDHATUKJOJOI-MRVPVSSYSA-N 1 2 285.250 2.445 20 30 CEEDLO N#CCNC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000352251674 534672396 /nfs/dbraw/zinc/67/23/96/534672396.db2.gz UFPQCZBZBIRYPK-UHFFFAOYSA-N 1 2 291.782 2.192 20 30 CEEDLO N#CCNC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000352251674 534672404 /nfs/dbraw/zinc/67/24/04/534672404.db2.gz UFPQCZBZBIRYPK-UHFFFAOYSA-N 1 2 291.782 2.192 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCN1c1nccs1 ZINC000330007159 534719086 /nfs/dbraw/zinc/71/90/86/534719086.db2.gz FQHKHVRBSNAVOU-LLVKDONJSA-N 1 2 291.380 2.300 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(CO)o1 ZINC000352796779 526573274 /nfs/dbraw/zinc/57/32/74/526573274.db2.gz VGZYDUMFXMBFRG-UHFFFAOYSA-N 1 2 275.352 2.084 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(CO)o1 ZINC000352796779 526573280 /nfs/dbraw/zinc/57/32/80/526573280.db2.gz VGZYDUMFXMBFRG-UHFFFAOYSA-N 1 2 275.352 2.084 20 30 CEEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000347976743 526757737 /nfs/dbraw/zinc/75/77/37/526757737.db2.gz ZHKHLRAKZRCLOT-CYBMUJFWSA-N 1 2 282.409 2.418 20 30 CEEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000347976743 526757739 /nfs/dbraw/zinc/75/77/39/526757739.db2.gz ZHKHLRAKZRCLOT-CYBMUJFWSA-N 1 2 282.409 2.418 20 30 CEEDLO N#Cc1ccsc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161235373 526767682 /nfs/dbraw/zinc/76/76/82/526767682.db2.gz BRWYDCIGJHMMKQ-GFCCVEGCSA-N 1 2 298.371 2.023 20 30 CEEDLO N#Cc1ccsc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161235244 526768288 /nfs/dbraw/zinc/76/82/88/526768288.db2.gz BRWYDCIGJHMMKQ-LBPRGKRZSA-N 1 2 298.371 2.023 20 30 CEEDLO C=C1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000336175535 526907909 /nfs/dbraw/zinc/90/79/09/526907909.db2.gz XMIHZVABLVDXSY-NSHDSACASA-N 1 2 276.302 2.192 20 30 CEEDLO C=CC[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345016036 527133195 /nfs/dbraw/zinc/13/31/95/527133195.db2.gz SMSRDECIBVEOAW-JQWIXIFHSA-N 1 2 262.357 2.135 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccco1 ZINC000353681821 527486329 /nfs/dbraw/zinc/48/63/29/527486329.db2.gz CAAODVZZRVAXQD-ZDUSSCGKSA-N 1 2 287.367 2.473 20 30 CEEDLO CC1(C)C[C@@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330251507 527711647 /nfs/dbraw/zinc/71/16/47/527711647.db2.gz NPDUOMZXMFMPPP-MNOVXSKESA-N 1 2 262.357 2.063 20 30 CEEDLO CCC[N@@H+](CC#N)CCCN(CC)CC(F)(F)F ZINC000354802512 527877480 /nfs/dbraw/zinc/87/74/80/527877480.db2.gz AOMPZCIVBUZRGU-UHFFFAOYSA-N 1 2 265.323 2.496 20 30 CEEDLO CCC[N@H+](CC#N)CCCN(CC)CC(F)(F)F ZINC000354802512 527877486 /nfs/dbraw/zinc/87/74/86/527877486.db2.gz AOMPZCIVBUZRGU-UHFFFAOYSA-N 1 2 265.323 2.496 20 30 CEEDLO CCC1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330176857 529033140 /nfs/dbraw/zinc/03/31/40/529033140.db2.gz CNZCEJNUBDATJW-GFCCVEGCSA-N 1 2 276.384 2.282 20 30 CEEDLO CCC1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330176857 529033144 /nfs/dbraw/zinc/03/31/44/529033144.db2.gz CNZCEJNUBDATJW-GFCCVEGCSA-N 1 2 276.384 2.282 20 30 CEEDLO CC[C@H](CC#N)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352754011 529298274 /nfs/dbraw/zinc/29/82/74/529298274.db2.gz RLYMMXOINCQXQS-CYBMUJFWSA-N 1 2 298.350 2.140 20 30 CEEDLO CC[C@@H]1CCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330180610 529327757 /nfs/dbraw/zinc/32/77/57/529327757.db2.gz NKFSORWSWYGDIP-CYBMUJFWSA-N 1 2 276.384 2.160 20 30 CEEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCc1ccc(C#N)cc1 ZINC000739914361 574431941 /nfs/dbraw/zinc/43/19/41/574431941.db2.gz JKEXAUTXFJKWOS-UHFFFAOYSA-N 1 2 298.390 2.046 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCc1ccc(C#N)cc1 ZINC000739914361 574431942 /nfs/dbraw/zinc/43/19/42/574431942.db2.gz JKEXAUTXFJKWOS-UHFFFAOYSA-N 1 2 298.390 2.046 20 30 CEEDLO COc1nc(N(C)C)sc1C=[NH+]OCC(C)C ZINC000749631257 574444873 /nfs/dbraw/zinc/44/48/73/574444873.db2.gz JPLAVCHLELMZNL-UHFFFAOYSA-N 1 2 257.359 2.224 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000727838865 574456940 /nfs/dbraw/zinc/45/69/40/574456940.db2.gz VXUGPDNMFXOUDC-SNVBAGLBSA-N 1 2 272.308 2.131 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000730095584 574501287 /nfs/dbraw/zinc/50/12/87/574501287.db2.gz OEAVERBHFKUNHI-ZDUSSCGKSA-N 1 2 292.766 2.385 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000730095584 574501288 /nfs/dbraw/zinc/50/12/88/574501288.db2.gz OEAVERBHFKUNHI-ZDUSSCGKSA-N 1 2 292.766 2.385 20 30 CEEDLO Cc1n[nH]c(C)c1C=NNc1cc[nH+]c2ccccc12 ZINC000730147219 574502739 /nfs/dbraw/zinc/50/27/39/574502739.db2.gz NJDONZNVOVIZJR-UHFFFAOYSA-N 1 2 265.320 2.443 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccc(OCC#N)cc1 ZINC000731212100 574591813 /nfs/dbraw/zinc/59/18/13/574591813.db2.gz SDGGXBNMKWVJHI-UHFFFAOYSA-N 1 2 288.347 2.140 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccc(OCC#N)cc1 ZINC000731212100 574591814 /nfs/dbraw/zinc/59/18/14/574591814.db2.gz SDGGXBNMKWVJHI-UHFFFAOYSA-N 1 2 288.347 2.140 20 30 CEEDLO C=C(Cl)CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000736245836 574779871 /nfs/dbraw/zinc/77/98/71/574779871.db2.gz AEGWSSJCULKRBQ-GFCCVEGCSA-N 1 2 278.783 2.302 20 30 CEEDLO C=C(Cl)CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000736245836 574779872 /nfs/dbraw/zinc/77/98/72/574779872.db2.gz AEGWSSJCULKRBQ-GFCCVEGCSA-N 1 2 278.783 2.302 20 30 CEEDLO NC(=[NH+]OCc1nccn1C(F)F)c1ccc(F)cc1 ZINC000741752779 574996483 /nfs/dbraw/zinc/99/64/83/574996483.db2.gz GTEVFSGOWKNHMC-UHFFFAOYSA-N 1 2 284.241 2.254 20 30 CEEDLO C#CC[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000743858813 575111231 /nfs/dbraw/zinc/11/12/31/575111231.db2.gz GMKNHINIVXFWRQ-ZDUSSCGKSA-N 1 2 290.794 2.048 20 30 CEEDLO C#CC[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000743858813 575111233 /nfs/dbraw/zinc/11/12/33/575111233.db2.gz GMKNHINIVXFWRQ-ZDUSSCGKSA-N 1 2 290.794 2.048 20 30 CEEDLO Cc1[nH+]ccn1CCCC(=O)Nc1cc(C#N)ccc1O ZINC000748410217 575185957 /nfs/dbraw/zinc/18/59/57/575185957.db2.gz FEPTZRNXSLBPCF-UHFFFAOYSA-N 1 2 284.319 2.188 20 30 CEEDLO N#Cc1cccc(COC(=O)CCc2ccc(N)[nH+]c2)c1F ZINC000751441322 575289079 /nfs/dbraw/zinc/28/90/79/575289079.db2.gz DFXJXKBWMRMVBT-UHFFFAOYSA-N 1 2 299.305 2.351 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCc3cccnc32)C1 ZINC000951549757 613295387 /nfs/dbraw/zinc/29/53/87/613295387.db2.gz AYWXAOSEKYFJOD-INIZCTEOSA-N 1 2 299.418 2.220 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc3nc[nH]c32)C1 ZINC000957029617 613296845 /nfs/dbraw/zinc/29/68/45/613296845.db2.gz AFPGPIRCJDDDQZ-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncc(C)c2)C1 ZINC000949826086 613297544 /nfs/dbraw/zinc/29/75/44/613297544.db2.gz DYVDJCIAGVXQGC-UHFFFAOYSA-N 1 2 273.380 2.112 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CC)CCC2)CC1 ZINC000949745416 613315571 /nfs/dbraw/zinc/31/55/71/613315571.db2.gz PCNYNFSRHFNKQZ-UHFFFAOYSA-N 1 2 250.386 2.287 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 ZINC000957411665 613320336 /nfs/dbraw/zinc/32/03/36/613320336.db2.gz PUFUSGXHVROTDC-UHFFFAOYSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncc(C)cc2C)CC1 ZINC000949410065 613322370 /nfs/dbraw/zinc/32/23/70/613322370.db2.gz ZTVBQBNTPLVTKR-UHFFFAOYSA-N 1 2 273.380 2.032 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000981746996 613373508 /nfs/dbraw/zinc/37/35/08/613373508.db2.gz UQWLOVJVSJTCCR-SNVBAGLBSA-N 1 2 298.736 2.472 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000981746996 613373509 /nfs/dbraw/zinc/37/35/09/613373509.db2.gz UQWLOVJVSJTCCR-SNVBAGLBSA-N 1 2 298.736 2.472 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000972082786 613439351 /nfs/dbraw/zinc/43/93/51/613439351.db2.gz RLZDVPDPONAHQM-AWEZNQCLSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000972082786 613439355 /nfs/dbraw/zinc/43/93/55/613439355.db2.gz RLZDVPDPONAHQM-AWEZNQCLSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC000957095828 613657515 /nfs/dbraw/zinc/65/75/15/613657515.db2.gz RUTIDGPVBQAKDL-UHFFFAOYSA-N 1 2 299.418 2.011 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(CC)CCCC2)CC1 ZINC000956985988 613706831 /nfs/dbraw/zinc/70/68/31/613706831.db2.gz AMELGACNEYWLQU-UHFFFAOYSA-N 1 2 250.386 2.287 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CC2CCOCC2)CC1 ZINC000956983601 613706928 /nfs/dbraw/zinc/70/69/28/613706928.db2.gz OQVQPMXZYWSGQZ-UHFFFAOYSA-N 1 2 294.439 2.160 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 ZINC000948895975 613707031 /nfs/dbraw/zinc/70/70/31/613707031.db2.gz XSOOCWPKPUAZGO-UHFFFAOYSA-N 1 2 276.302 2.049 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000950444886 613709857 /nfs/dbraw/zinc/70/98/57/613709857.db2.gz ZHHGIQXTICNUPA-AWEZNQCLSA-N 1 2 290.382 2.335 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000950457842 613710372 /nfs/dbraw/zinc/71/03/72/613710372.db2.gz WCKYCDPDXLRMPQ-LBPRGKRZSA-N 1 2 264.394 2.182 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000950444887 613712430 /nfs/dbraw/zinc/71/24/30/613712430.db2.gz ZHHGIQXTICNUPA-CQSZACIVSA-N 1 2 290.382 2.335 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000950650267 613714508 /nfs/dbraw/zinc/71/45/08/613714508.db2.gz RTIRALMQGICNTO-UHFFFAOYSA-N 1 2 262.328 2.078 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000949143320 613714600 /nfs/dbraw/zinc/71/46/00/613714600.db2.gz OHRRSZSZUJCUKS-UHFFFAOYSA-N 1 2 269.348 2.112 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000949785164 613715705 /nfs/dbraw/zinc/71/57/05/613715705.db2.gz VXMBWXHQVKIEGK-UHFFFAOYSA-N 1 2 261.369 2.082 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 ZINC000949567956 613715820 /nfs/dbraw/zinc/71/58/20/613715820.db2.gz JWWNWOHACQFGEH-UHFFFAOYSA-N 1 2 275.377 2.173 20 30 CEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000972490314 613725128 /nfs/dbraw/zinc/72/51/28/613725128.db2.gz UIYMHWWLJGAPJT-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000972490314 613725130 /nfs/dbraw/zinc/72/51/30/613725130.db2.gz UIYMHWWLJGAPJT-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001024308815 625510543 /nfs/dbraw/zinc/51/05/43/625510543.db2.gz PCHKCJCEZQBVDU-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001024308815 625510553 /nfs/dbraw/zinc/51/05/53/625510553.db2.gz PCHKCJCEZQBVDU-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO CCN1C[C@@H](C[N@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000846805322 623438789 /nfs/dbraw/zinc/43/87/89/623438789.db2.gz BBTSGBCALBHIIC-GFCCVEGCSA-N 1 2 267.373 2.089 20 30 CEEDLO CCN1C[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000846805322 623438791 /nfs/dbraw/zinc/43/87/91/623438791.db2.gz BBTSGBCALBHIIC-GFCCVEGCSA-N 1 2 267.373 2.089 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1cccc(O)c1Br ZINC000306330816 623491065 /nfs/dbraw/zinc/49/10/65/623491065.db2.gz OSMOLYKVVAVZKO-QMMMGPOBSA-N 1 2 254.127 2.266 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1[C@@H]1CCCO1 ZINC000933181073 623528346 /nfs/dbraw/zinc/52/83/46/623528346.db2.gz WQPAHTMIXAWJCW-XQQFMLRXSA-N 1 2 287.787 2.172 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1[C@@H]1CCCO1 ZINC000933181073 623528349 /nfs/dbraw/zinc/52/83/49/623528349.db2.gz WQPAHTMIXAWJCW-XQQFMLRXSA-N 1 2 287.787 2.172 20 30 CEEDLO COc1ccc(C[NH2+]Cc2cscn2)cc1C#N ZINC000087824316 623962802 /nfs/dbraw/zinc/96/28/02/623962802.db2.gz WLONEFIXEKFWIO-UHFFFAOYSA-N 1 2 259.334 2.313 20 30 CEEDLO CC[C@@H]([NH2+]CC[C@H](COC)OC)c1cccc(C#N)c1O ZINC000926675555 625689598 /nfs/dbraw/zinc/68/95/98/625689598.db2.gz IREVZMRAOAPXCM-UKRRQHHQSA-N 1 2 292.379 2.356 20 30 CEEDLO N#CCN1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891901739 624083980 /nfs/dbraw/zinc/08/39/80/624083980.db2.gz FRCSMVINFKWWDP-UHFFFAOYSA-N 1 2 283.297 2.404 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934004674 624158694 /nfs/dbraw/zinc/15/86/94/624158694.db2.gz UGXIVSVJIRKRFJ-INIZCTEOSA-N 1 2 289.379 2.298 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934004674 624158697 /nfs/dbraw/zinc/15/86/97/624158697.db2.gz UGXIVSVJIRKRFJ-INIZCTEOSA-N 1 2 289.379 2.298 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000934013465 624162309 /nfs/dbraw/zinc/16/23/09/624162309.db2.gz WFPIFGBBAJMOLY-LLVKDONJSA-N 1 2 270.254 2.144 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000934013465 624162312 /nfs/dbraw/zinc/16/23/12/624162312.db2.gz WFPIFGBBAJMOLY-LLVKDONJSA-N 1 2 270.254 2.144 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000892029601 624260956 /nfs/dbraw/zinc/26/09/56/624260956.db2.gz ZTENBOJKMYCAQP-ZDUSSCGKSA-N 1 2 264.373 2.269 20 30 CEEDLO C=C(C)CCc1noc(C(C)(C)C[NH+]2CCOCC2)n1 ZINC000924062271 624505982 /nfs/dbraw/zinc/50/59/82/624505982.db2.gz PMIHLFOOFYVJHV-UHFFFAOYSA-N 1 2 279.384 2.188 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000725779223 624778693 /nfs/dbraw/zinc/77/86/93/624778693.db2.gz RIGLBYSRMSQUOM-SNVBAGLBSA-N 1 2 252.387 2.208 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000725779223 624778694 /nfs/dbraw/zinc/77/86/94/624778694.db2.gz RIGLBYSRMSQUOM-SNVBAGLBSA-N 1 2 252.387 2.208 20 30 CEEDLO C[C@@H](CC(=O)N1CCCc2nc(C#N)ccc21)n1cc[nH+]c1 ZINC000892392567 625190766 /nfs/dbraw/zinc/19/07/66/625190766.db2.gz DBCBFWNZZZZTHX-LBPRGKRZSA-N 1 2 295.346 2.080 20 30 CEEDLO C#CCOc1ccccc1CNc1cc(N(C)C)nc[nH+]1 ZINC000892540508 625937931 /nfs/dbraw/zinc/93/79/31/625937931.db2.gz MNQVVEACWVTUIT-UHFFFAOYSA-N 1 2 282.347 2.167 20 30 CEEDLO C#CCOc1ccccc1CNc1cc(N(C)C)[nH+]cn1 ZINC000892540508 625937933 /nfs/dbraw/zinc/93/79/33/625937933.db2.gz MNQVVEACWVTUIT-UHFFFAOYSA-N 1 2 282.347 2.167 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000820646431 634487185 /nfs/dbraw/zinc/48/71/85/634487185.db2.gz GFGOTXUMPOYPRA-ZDUSSCGKSA-N 1 2 274.368 2.101 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000820646431 634487188 /nfs/dbraw/zinc/48/71/88/634487188.db2.gz GFGOTXUMPOYPRA-ZDUSSCGKSA-N 1 2 274.368 2.101 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018130064 627376455 /nfs/dbraw/zinc/37/64/55/627376455.db2.gz PADGRNIBJVURHT-JYYAWHABSA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018130064 627376457 /nfs/dbraw/zinc/37/64/57/627376457.db2.gz PADGRNIBJVURHT-JYYAWHABSA-N 1 2 274.408 2.121 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(CO)c1 ZINC000892962794 627903991 /nfs/dbraw/zinc/90/39/91/627903991.db2.gz PUPBCOUXRYIJCC-OAHLLOKOSA-N 1 2 294.358 2.136 20 30 CEEDLO C#CCCC[NH2+]Cc1ncc(Br)cc1O ZINC000893092677 627998163 /nfs/dbraw/zinc/99/81/63/627998163.db2.gz MNBCVCSNPXUMGM-UHFFFAOYSA-N 1 2 269.142 2.053 20 30 CEEDLO COC(=O)C[N@H+](Cc1cncc(C#N)c1)C1CCCCC1 ZINC000930962281 628320327 /nfs/dbraw/zinc/32/03/27/628320327.db2.gz BUKMGLYYNRDAJH-UHFFFAOYSA-N 1 2 287.363 2.261 20 30 CEEDLO COC(=O)C[N@@H+](Cc1cncc(C#N)c1)C1CCCCC1 ZINC000930962281 628320329 /nfs/dbraw/zinc/32/03/29/628320329.db2.gz BUKMGLYYNRDAJH-UHFFFAOYSA-N 1 2 287.363 2.261 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1O[C@H](C)C(=O)OC ZINC000893606176 628785814 /nfs/dbraw/zinc/78/58/14/628785814.db2.gz NXKMLRPRMJNBHM-OCCSQVGLSA-N 1 2 290.363 2.409 20 30 CEEDLO C=CCCC[C@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000924915855 629252164 /nfs/dbraw/zinc/25/21/64/629252164.db2.gz CDOUZSUGGHFLGS-CQSZACIVSA-N 1 2 287.363 2.475 20 30 CEEDLO Cc1cc(CNc2n[nH]cc2C#N)c2c([nH+]1)CCCC2 ZINC000902556981 634722085 /nfs/dbraw/zinc/72/20/85/634722085.db2.gz CSAZHHAVEFFFKU-UHFFFAOYSA-N 1 2 267.336 2.476 20 30 CEEDLO Cc1cc(C#N)cc(N2CC[NH+](Cc3cncs3)CC2)n1 ZINC000894855121 629691965 /nfs/dbraw/zinc/69/19/65/629691965.db2.gz IHQPDNGSGLQRLX-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CCNc1cc(CNc2cc(C#N)nc(CC)n2)cc[nH+]1 ZINC000894871427 629708073 /nfs/dbraw/zinc/70/80/73/629708073.db2.gz FCVFRAYSBXRIFS-UHFFFAOYSA-N 1 2 282.351 2.350 20 30 CEEDLO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000895715542 630312249 /nfs/dbraw/zinc/31/22/49/630312249.db2.gz UGFRLASGSNAMSV-NSHDSACASA-N 1 2 255.745 2.462 20 30 CEEDLO C#CCN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000895748358 630323290 /nfs/dbraw/zinc/32/32/90/630323290.db2.gz NHJPGADRLUXSOW-CYBMUJFWSA-N 1 2 278.783 2.233 20 30 CEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1C#N ZINC000795651261 630659173 /nfs/dbraw/zinc/65/91/73/630659173.db2.gz JGHXSPSKPKKUHB-CQSZACIVSA-N 1 2 272.348 2.393 20 30 CEEDLO Cc1cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1C#N ZINC000795651261 630659175 /nfs/dbraw/zinc/65/91/75/630659175.db2.gz JGHXSPSKPKKUHB-CQSZACIVSA-N 1 2 272.348 2.393 20 30 CEEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCn3cccc3C2)c1 ZINC000896761007 630661299 /nfs/dbraw/zinc/66/12/99/630661299.db2.gz HVIVQOTYUKDLMD-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCn3cccc3C2)c1 ZINC000896761007 630661300 /nfs/dbraw/zinc/66/13/00/630661300.db2.gz HVIVQOTYUKDLMD-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000928628146 630690903 /nfs/dbraw/zinc/69/09/03/630690903.db2.gz CJMUEIFWRMKZRZ-UHFFFAOYSA-N 1 2 267.332 2.356 20 30 CEEDLO CCCCCCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000799790788 631077654 /nfs/dbraw/zinc/07/76/54/631077654.db2.gz MILZENRVODVWPE-UHFFFAOYSA-N 1 2 299.440 2.383 20 30 CEEDLO CCCCCCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000799805264 631080256 /nfs/dbraw/zinc/08/02/56/631080256.db2.gz AHVMHINDGBBLDE-CYBMUJFWSA-N 1 2 299.440 2.088 20 30 CEEDLO COC(=O)c1ccccc1N=NC(C)c1cn(C)c(C)[nH+]1 ZINC000800814882 631146890 /nfs/dbraw/zinc/14/68/90/631146890.db2.gz CKVOHFAAWUEVJE-UHFFFAOYSA-N 1 2 286.335 2.351 20 30 CEEDLO Cc1ccc(SCC[NH+]2CCOCC2)c(C#N)c1 ZINC000871687078 631193649 /nfs/dbraw/zinc/19/36/49/631193649.db2.gz ROLZJDNEQIGFEF-UHFFFAOYSA-N 1 2 262.378 2.291 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000801936788 631361608 /nfs/dbraw/zinc/36/16/08/631361608.db2.gz WOVFMUVQELAISM-STQMWFEESA-N 1 2 282.384 2.111 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000801936788 631361614 /nfs/dbraw/zinc/36/16/14/631361614.db2.gz WOVFMUVQELAISM-STQMWFEESA-N 1 2 282.384 2.111 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000802658721 631441818 /nfs/dbraw/zinc/44/18/18/631441818.db2.gz PSRPTRRRBUHMKP-UHFFFAOYSA-N 1 2 257.333 2.063 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000802658721 631441822 /nfs/dbraw/zinc/44/18/22/631441822.db2.gz PSRPTRRRBUHMKP-UHFFFAOYSA-N 1 2 257.333 2.063 20 30 CEEDLO CC[C@@H]([NH2+]CC[C@@H](O)CC)c1cccc(C#N)c1O ZINC000925283897 631571450 /nfs/dbraw/zinc/57/14/50/631571450.db2.gz WYXLAVRODYIDTC-GXTWGEPZSA-N 1 2 262.353 2.466 20 30 CEEDLO Cc1ncc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)n1 ZINC000897626937 631834838 /nfs/dbraw/zinc/83/48/38/631834838.db2.gz XCNQPEURUFSFSE-MRVPVSSYSA-N 1 2 273.365 2.272 20 30 CEEDLO CC(C)Cn1nccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897630131 631838234 /nfs/dbraw/zinc/83/82/34/631838234.db2.gz RLQGCHDFXUFVON-UHFFFAOYSA-N 1 2 275.381 2.157 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230521 631938077 /nfs/dbraw/zinc/93/80/77/631938077.db2.gz JTPGRHMYGJQAAX-GFCCVEGCSA-N 1 2 279.413 2.075 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230521 631938080 /nfs/dbraw/zinc/93/80/80/631938080.db2.gz JTPGRHMYGJQAAX-GFCCVEGCSA-N 1 2 279.413 2.075 20 30 CEEDLO C=C1CCC(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000898099496 632063574 /nfs/dbraw/zinc/06/35/74/632063574.db2.gz RSZAFCRCMATRGJ-CYBMUJFWSA-N 1 2 259.353 2.061 20 30 CEEDLO CCOc1ccc(/C=N/Cc2c[nH+]cn2C)c(O)c1 ZINC000811624657 632408382 /nfs/dbraw/zinc/40/83/82/632408382.db2.gz MADQGYBXSMLJIO-VIZOYTHASA-N 1 2 259.309 2.144 20 30 CEEDLO CN(C)c1ncc(C=[NH+]Nc2ccccc2F)n1C ZINC000811636919 632410870 /nfs/dbraw/zinc/41/08/70/632410870.db2.gz NWPUQHXFJBOIQI-UHFFFAOYSA-N 1 2 261.304 2.071 20 30 CEEDLO Cn1cc[nH+]c1NN=C1CCc2ccc(C#N)cc21 ZINC000811649689 632413625 /nfs/dbraw/zinc/41/36/25/632413625.db2.gz VHDRRIJAIRNJDT-UHFFFAOYSA-N 1 2 251.293 2.054 20 30 CEEDLO Cn1c[nH+]cc1CNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000811845990 632455689 /nfs/dbraw/zinc/45/56/89/632455689.db2.gz JHTVKOFFNYMKRK-UHFFFAOYSA-N 1 2 299.284 2.152 20 30 CEEDLO COCC1(CO[NH+]=C(N)c2ccc(F)cc2)CCC1 ZINC000812305219 632506697 /nfs/dbraw/zinc/50/66/97/632506697.db2.gz VMVMISSXBBFKNI-UHFFFAOYSA-N 1 2 266.316 2.279 20 30 CEEDLO COc1cccc(/C=[NH+]/CCc2cc(C)n(C)n2)c1O ZINC000899226720 632743238 /nfs/dbraw/zinc/74/32/38/632743238.db2.gz XHGXBTPABIBUDG-MHWRWJLKSA-N 1 2 273.336 2.104 20 30 CEEDLO C[N@H+](C[C@H](O)c1ccc(F)cc1F)CC(C)(C)C#N ZINC000814666591 632876437 /nfs/dbraw/zinc/87/64/37/632876437.db2.gz IGFIHESNIDCOLK-ZDUSSCGKSA-N 1 2 268.307 2.480 20 30 CEEDLO C[N@@H+](C[C@H](O)c1ccc(F)cc1F)CC(C)(C)C#N ZINC000814666591 632876448 /nfs/dbraw/zinc/87/64/48/632876448.db2.gz IGFIHESNIDCOLK-ZDUSSCGKSA-N 1 2 268.307 2.480 20 30 CEEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000814694331 632882352 /nfs/dbraw/zinc/88/23/52/632882352.db2.gz FTUUHVLWBZBRRV-UHFFFAOYSA-N 1 2 294.702 2.010 20 30 CEEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]OC[C@@H]2CCOC2)C1 ZINC000814912402 632924177 /nfs/dbraw/zinc/92/41/77/632924177.db2.gz RSZAZSNILYTBES-SECBINFHSA-N 1 2 295.408 2.455 20 30 CEEDLO C#CCCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000815596353 633035802 /nfs/dbraw/zinc/03/58/02/633035802.db2.gz QZAGPMVYLBFKGG-GFCCVEGCSA-N 1 2 260.366 2.349 20 30 CEEDLO CCn1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)nn1 ZINC000899872547 633069438 /nfs/dbraw/zinc/06/94/38/633069438.db2.gz GXZQLJWLGVOJEE-GFCCVEGCSA-N 1 2 269.352 2.363 20 30 CEEDLO CCn1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)nn1 ZINC000899872547 633069445 /nfs/dbraw/zinc/06/94/45/633069445.db2.gz GXZQLJWLGVOJEE-GFCCVEGCSA-N 1 2 269.352 2.363 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000899901249 633085951 /nfs/dbraw/zinc/08/59/51/633085951.db2.gz GTTGEWZSIIQSIU-CQSZACIVSA-N 1 2 267.756 2.089 20 30 CEEDLO CCC1(CC)CCN(C[NH+]2CCC(C#N)CC2)C1=O ZINC000817360666 633639002 /nfs/dbraw/zinc/63/90/02/633639002.db2.gz UCGCMVHXOSQGKY-UHFFFAOYSA-N 1 2 263.385 2.218 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817708254 633724021 /nfs/dbraw/zinc/72/40/21/633724021.db2.gz WBYZJFQTVYFAQT-JFURAOHFSA-N 1 2 290.363 2.111 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CC2CCC3(CC3)CC2)nn1 ZINC000900602723 633779636 /nfs/dbraw/zinc/77/96/36/633779636.db2.gz ZGOZUJCNSNSXDO-UHFFFAOYSA-N 1 2 272.396 2.361 20 30 CEEDLO N#CC1(CCCCn2cc(Cn3cc[nH+]c3)nn2)CCC1 ZINC000900617405 633784044 /nfs/dbraw/zinc/78/40/44/633784044.db2.gz OXFFFYBHKCUXOS-UHFFFAOYSA-N 1 2 284.367 2.387 20 30 CEEDLO CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000901343064 634057883 /nfs/dbraw/zinc/05/78/83/634057883.db2.gz VDXHZFNVCRROOP-IAGOWNOFSA-N 1 2 298.390 2.489 20 30 CEEDLO COc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c(OC)n1 ZINC000902995424 634928039 /nfs/dbraw/zinc/92/80/39/634928039.db2.gz CGEYGCLVFQSFRG-NSHDSACASA-N 1 2 298.346 2.216 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027594 634947467 /nfs/dbraw/zinc/94/74/67/634947467.db2.gz UWSQPCYXYHCJPH-OAHLLOKOSA-N 1 2 297.337 2.174 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027594 634947472 /nfs/dbraw/zinc/94/74/72/634947472.db2.gz UWSQPCYXYHCJPH-OAHLLOKOSA-N 1 2 297.337 2.174 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000824870463 635516154 /nfs/dbraw/zinc/51/61/54/635516154.db2.gz UNAZRASBQMGCKW-CABCVRRESA-N 1 2 273.380 2.342 20 30 CEEDLO N#Cc1ccc(F)c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000826003840 635744174 /nfs/dbraw/zinc/74/41/74/635744174.db2.gz XKMONNBRSCVCNF-ZDUSSCGKSA-N 1 2 298.321 2.371 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000826680994 635811608 /nfs/dbraw/zinc/81/16/08/635811608.db2.gz IDFPPTXYVKSTOP-OAHLLOKOSA-N 1 2 295.386 2.373 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000826680994 635811612 /nfs/dbraw/zinc/81/16/12/635811612.db2.gz IDFPPTXYVKSTOP-OAHLLOKOSA-N 1 2 295.386 2.373 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826695650 635817457 /nfs/dbraw/zinc/81/74/57/635817457.db2.gz ITXWLNHKXBRYLS-GOEBONIOSA-N 1 2 271.364 2.229 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826695650 635817461 /nfs/dbraw/zinc/81/74/61/635817461.db2.gz ITXWLNHKXBRYLS-GOEBONIOSA-N 1 2 271.364 2.229 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C2CCCCCC2)no1 ZINC000905306152 636229549 /nfs/dbraw/zinc/22/95/49/636229549.db2.gz WOPDVALORGRBTM-LBPRGKRZSA-N 1 2 293.367 2.106 20 30 CEEDLO CCCn1cc(C(C)=NNc2cc[nH+]c3ccccc23)nn1 ZINC000905444701 636283649 /nfs/dbraw/zinc/28/36/49/636283649.db2.gz QFRYHNYCQMBJHN-UHFFFAOYSA-N 1 2 294.362 2.494 20 30 CEEDLO C=CC[C@@H]([NH2+]C1CCN(c2cccs2)CC1)C(=O)OC ZINC000905765444 636451588 /nfs/dbraw/zinc/45/15/88/636451588.db2.gz DAJJXAUKHPBKTF-CYBMUJFWSA-N 1 2 294.420 2.424 20 30 CEEDLO C[S@](=O)CC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000827948000 636467522 /nfs/dbraw/zinc/46/75/22/636467522.db2.gz FEVBROXPSNQLAZ-KHYOSLBOSA-N 1 2 276.405 2.137 20 30 CEEDLO C[S@](=O)CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000827948000 636467525 /nfs/dbraw/zinc/46/75/25/636467525.db2.gz FEVBROXPSNQLAZ-KHYOSLBOSA-N 1 2 276.405 2.137 20 30 CEEDLO N#Cc1sccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000906470077 636751386 /nfs/dbraw/zinc/75/13/86/636751386.db2.gz MTFKWRKJVHGHNR-UHFFFAOYSA-N 1 2 286.360 2.294 20 30 CEEDLO N#C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC000829368128 636835769 /nfs/dbraw/zinc/83/57/69/636835769.db2.gz GVARCGLRUIBEAF-CQSZACIVSA-N 1 2 268.320 2.375 20 30 CEEDLO N#CC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(F)(F)F ZINC000830204925 637006185 /nfs/dbraw/zinc/00/61/85/637006185.db2.gz QHSQYYQDGULSFL-SNVBAGLBSA-N 1 2 282.225 2.137 20 30 CEEDLO C#CC1CC[NH+](CC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000830329753 637038097 /nfs/dbraw/zinc/03/80/97/637038097.db2.gz FJDDAFMTPKIWSF-UHFFFAOYSA-N 1 2 284.359 2.173 20 30 CEEDLO C#CC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000830329750 637038262 /nfs/dbraw/zinc/03/82/62/637038262.db2.gz FFSVUHCHWDSVCE-UHFFFAOYSA-N 1 2 267.332 2.181 20 30 CEEDLO C=C1CCC(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000830985063 637209474 /nfs/dbraw/zinc/20/94/74/637209474.db2.gz JEXHTWIXCQKWKK-PTNGSMBKSA-N 1 2 292.423 2.128 20 30 CEEDLO C=C1CCC(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000830985336 637209522 /nfs/dbraw/zinc/20/95/22/637209522.db2.gz QPEZATIFFJTBNI-UHFFFAOYSA-N 1 2 259.353 2.356 20 30 CEEDLO N#C[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC2CCC1CC2 ZINC000908134829 637245218 /nfs/dbraw/zinc/24/52/18/637245218.db2.gz VHYZLJFAHAGLLU-YJJGSOMYSA-N 1 2 298.390 2.034 20 30 CEEDLO C[C@@H](C#N)OCCO[NH+]=C(N)Cc1ccc(Cl)cc1 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C=C(C)CNC(=S)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759133696 644987293 /nfs/dbraw/zinc/98/72/93/644987293.db2.gz DQHXIIFLVSRCHY-STQMWFEESA-N 1 2 278.425 2.217 20 30 CEEDLO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759714373 645067715 /nfs/dbraw/zinc/06/77/15/645067715.db2.gz YKLPNSKXMAQNKF-ZDUSSCGKSA-N 1 2 273.336 2.077 20 30 CEEDLO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759714373 645067719 /nfs/dbraw/zinc/06/77/19/645067719.db2.gz YKLPNSKXMAQNKF-ZDUSSCGKSA-N 1 2 273.336 2.077 20 30 CEEDLO COCCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000760346478 645144344 /nfs/dbraw/zinc/14/43/44/645144344.db2.gz LKRAFRXBGGXRCZ-UHFFFAOYSA-N 1 2 256.733 2.404 20 30 CEEDLO C#CCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000760848376 645200734 /nfs/dbraw/zinc/20/07/34/645200734.db2.gz XTWPVOMLNJNANH-UHFFFAOYSA-N 1 2 276.767 2.008 20 30 CEEDLO C#CCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000760848376 645200741 /nfs/dbraw/zinc/20/07/41/645200741.db2.gz XTWPVOMLNJNANH-UHFFFAOYSA-N 1 2 276.767 2.008 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000858857415 645272345 /nfs/dbraw/zinc/27/23/45/645272345.db2.gz ULQQMSLLQXBCFP-LBPRGKRZSA-N 1 2 291.399 2.111 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000858857415 645272349 /nfs/dbraw/zinc/27/23/49/645272349.db2.gz ULQQMSLLQXBCFP-LBPRGKRZSA-N 1 2 291.399 2.111 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)[C@@H]1CCCO1 ZINC000859258500 645439255 /nfs/dbraw/zinc/43/92/55/645439255.db2.gz OYAZDKDRPLVWLU-KGLIPLIRSA-N 1 2 265.740 2.316 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1ccncc1Br ZINC000859362103 645467587 /nfs/dbraw/zinc/46/75/87/645467587.db2.gz VVHPZURNJWPMHI-UHFFFAOYSA-N 1 2 297.196 2.316 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1ccncc1Br ZINC000859362103 645467592 /nfs/dbraw/zinc/46/75/92/645467592.db2.gz VVHPZURNJWPMHI-UHFFFAOYSA-N 1 2 297.196 2.316 20 30 CEEDLO C#CC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578530 645524576 /nfs/dbraw/zinc/52/45/76/645524576.db2.gz UOIQQSFAMORQFT-INIZCTEOSA-N 1 2 255.317 2.120 20 30 CEEDLO C#CC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578530 645524580 /nfs/dbraw/zinc/52/45/80/645524580.db2.gz UOIQQSFAMORQFT-INIZCTEOSA-N 1 2 255.317 2.120 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000763949425 645592620 /nfs/dbraw/zinc/59/26/20/645592620.db2.gz LISLIKKUPNRGGL-UMVBOHGHSA-N 1 2 262.397 2.025 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000763949425 645592623 /nfs/dbraw/zinc/59/26/23/645592623.db2.gz LISLIKKUPNRGGL-UMVBOHGHSA-N 1 2 262.397 2.025 20 30 CEEDLO CC1(C)CCCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C#N ZINC000765125511 645735731 /nfs/dbraw/zinc/73/57/31/645735731.db2.gz BOOFHTUGABOPJN-ZDUSSCGKSA-N 1 2 282.347 2.489 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccccc1 ZINC000766853008 645930275 /nfs/dbraw/zinc/93/02/75/645930275.db2.gz OGZFCLKOCZCOLH-AWEZNQCLSA-N 1 2 283.379 2.282 20 30 CEEDLO C#CCOc1ccc(C[N@H+](CCC)CC(=O)OCC)cc1 ZINC000768997477 646189562 /nfs/dbraw/zinc/18/95/62/646189562.db2.gz FWHCMTZWKVHQRM-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO C#CCOc1ccc(C[N@@H+](CCC)CC(=O)OCC)cc1 ZINC000768997477 646189567 /nfs/dbraw/zinc/18/95/67/646189567.db2.gz FWHCMTZWKVHQRM-UHFFFAOYSA-N 1 2 289.375 2.474 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]N2CCCC2=O)cc1 ZINC000769589979 646289604 /nfs/dbraw/zinc/28/96/04/646289604.db2.gz QDPSFFMQPDJMLN-UHFFFAOYSA-N 1 2 259.353 2.489 20 30 CEEDLO CN(C(=O)c1cccc2[nH+]ccn21)c1cccc(C#N)c1 ZINC000770076806 646355698 /nfs/dbraw/zinc/35/56/98/646355698.db2.gz CEWNNSOENYIFNT-UHFFFAOYSA-N 1 2 276.299 2.483 20 30 CEEDLO N#Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)c(F)c1 ZINC000770653067 646422648 /nfs/dbraw/zinc/42/26/48/646422648.db2.gz BKMMCEYTPHAWKS-UHFFFAOYSA-N 1 2 294.289 2.275 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)CC[C@H](CC(C)C)C1=O)C1CC1 ZINC000771640456 646539599 /nfs/dbraw/zinc/53/95/99/646539599.db2.gz NQMJIMQCFICYLW-CYBMUJFWSA-N 1 2 278.396 2.406 20 30 CEEDLO C=CC[N@H+](CN1C(=O)CC[C@H](CC(C)C)C1=O)C1CC1 ZINC000771640456 646539601 /nfs/dbraw/zinc/53/96/01/646539601.db2.gz NQMJIMQCFICYLW-CYBMUJFWSA-N 1 2 278.396 2.406 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(CC(C)C)C1=O)C1CC1 ZINC000771641707 646540564 /nfs/dbraw/zinc/54/05/64/646540564.db2.gz MKWVSDQDQDTJIR-MRXNPFEDSA-N 1 2 278.396 2.406 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(CC(C)C)C1=O)C1CC1 ZINC000771641707 646540569 /nfs/dbraw/zinc/54/05/69/646540569.db2.gz MKWVSDQDQDTJIR-MRXNPFEDSA-N 1 2 278.396 2.406 20 30 CEEDLO CC(=[NH+]n1cccn1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000863163524 646661162 /nfs/dbraw/zinc/66/11/62/646661162.db2.gz HHISZFZVTQDPBC-SECBINFHSA-N 1 2 252.318 2.020 20 30 CEEDLO COC(=O)CCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000863455371 646729566 /nfs/dbraw/zinc/72/95/66/646729566.db2.gz GAYIARWKINYRRF-UHFFFAOYSA-N 1 2 282.315 2.114 20 30 CEEDLO C#CC[C@@H](CCOC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000863789828 646816699 /nfs/dbraw/zinc/81/66/99/646816699.db2.gz VBPFAESPUURBPN-HNNXBMFYSA-N 1 2 297.358 2.031 20 30 CEEDLO S=C(N[NH+]=C1CCCNc2ccccc21)NC1CC1 ZINC000774344356 646837202 /nfs/dbraw/zinc/83/72/02/646837202.db2.gz QFGIHNCSOWNLFW-UHFFFAOYSA-N 1 2 274.393 2.223 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(CF)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000777613855 647158171 /nfs/dbraw/zinc/15/81/71/647158171.db2.gz SAFAOTJGPYZOKI-OAHLLOKOSA-N 1 2 297.395 2.331 20 30 CEEDLO C=CC[N@H+](Cc1ccc(CF)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000777613855 647158175 /nfs/dbraw/zinc/15/81/75/647158175.db2.gz SAFAOTJGPYZOKI-OAHLLOKOSA-N 1 2 297.395 2.331 20 30 CEEDLO CC[N@@H+]1CCC(N=Nc2ccc(OC)cn2)[C@H](C)C1 ZINC000780276678 647410719 /nfs/dbraw/zinc/41/07/19/647410719.db2.gz PYSZRKXGGSQVLS-LLVKDONJSA-N 1 2 262.357 2.220 20 30 CEEDLO CC[N@H+]1CCC(N=Nc2ccc(OC)cn2)[C@H](C)C1 ZINC000780276678 647410721 /nfs/dbraw/zinc/41/07/21/647410721.db2.gz PYSZRKXGGSQVLS-LLVKDONJSA-N 1 2 262.357 2.220 20 30 CEEDLO NC(=[NH+]OCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000782313318 647612572 /nfs/dbraw/zinc/61/25/72/647612572.db2.gz LBPFTZOQMMDMFR-ZDUSSCGKSA-N 1 2 298.770 2.173 20 30 CEEDLO C[C@H](Oc1ccccc1C#N)C(=O)OCCCn1cc[nH+]c1 ZINC000782702149 647652906 /nfs/dbraw/zinc/65/29/06/647652906.db2.gz ZNNFVWOEMVFSQU-ZDUSSCGKSA-N 1 2 299.330 2.156 20 30 CEEDLO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214946 647675090 /nfs/dbraw/zinc/67/50/90/647675090.db2.gz FSDWSOOWYUXLIX-JSGCOSHPSA-N 1 2 273.380 2.399 20 30 CEEDLO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866266068 647704845 /nfs/dbraw/zinc/70/48/45/647704845.db2.gz WPRYPKTUQFZUCO-WDMOLILDSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H]1CCOC1 ZINC000866273554 647710660 /nfs/dbraw/zinc/71/06/60/647710660.db2.gz OTRKPPSONYLKQF-NTZNESFSSA-N 1 2 260.337 2.339 20 30 CEEDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866338534 647742761 /nfs/dbraw/zinc/74/27/61/647742761.db2.gz SWVMBQVHYWKFTB-NILFDRSVSA-N 1 2 290.363 2.108 20 30 CEEDLO C[C@H]([NH2+]CC1(CO)CCCC1)c1cccc(C#N)c1O ZINC000866341883 647745281 /nfs/dbraw/zinc/74/52/81/647745281.db2.gz PUVAKRIYIAYWKD-LBPRGKRZSA-N 1 2 274.364 2.467 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C#N)c1O ZINC000866343460 647746681 /nfs/dbraw/zinc/74/66/81/647746681.db2.gz KWGHCCJWPYRVLB-SWHYSGLUSA-N 1 2 260.337 2.218 20 30 CEEDLO C[C@H]([NH2+]CCN1CC=CCC1)c1cccc(C#N)c1O ZINC000866351078 647750326 /nfs/dbraw/zinc/75/03/26/647750326.db2.gz LGGBRGWETFBLML-ZDUSSCGKSA-N 1 2 271.364 2.176 20 30 CEEDLO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866365219 647758309 /nfs/dbraw/zinc/75/83/09/647758309.db2.gz GNUXOIKLHDPSRF-NEPJUHHUSA-N 1 2 262.353 2.323 20 30 CEEDLO Cc1cncc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)n1 ZINC000866388862 647769572 /nfs/dbraw/zinc/76/95/72/647769572.db2.gz BELQVSRFMFHAJP-LBPRGKRZSA-N 1 2 282.347 2.256 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000784451814 647851592 /nfs/dbraw/zinc/85/15/92/647851592.db2.gz KQEHXWZESBUZPD-INIZCTEOSA-N 1 2 281.363 2.393 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000784451814 647851595 /nfs/dbraw/zinc/85/15/95/647851595.db2.gz KQEHXWZESBUZPD-INIZCTEOSA-N 1 2 281.363 2.393 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000868628877 648202364 /nfs/dbraw/zinc/20/23/64/648202364.db2.gz ACECLCKCYMECTB-QGZVFWFLSA-N 1 2 281.359 2.333 20 30 CEEDLO C(=NNCCc1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000789094081 648257962 /nfs/dbraw/zinc/25/79/62/648257962.db2.gz MUBKBBMMKMNISV-UHFFFAOYSA-N 1 2 291.358 2.434 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccncc2)n1 ZINC000789330187 648288586 /nfs/dbraw/zinc/28/85/86/648288586.db2.gz ZHIXTXDTEQXGBE-AWEZNQCLSA-N 1 2 268.364 2.494 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccncc2)n1 ZINC000789330187 648288591 /nfs/dbraw/zinc/28/85/91/648288591.db2.gz ZHIXTXDTEQXGBE-AWEZNQCLSA-N 1 2 268.364 2.494 20 30 CEEDLO CC(C)(C)n1cc(C=NNc2cc[nH+]c3ccccc23)nn1 ZINC000790161709 648388679 /nfs/dbraw/zinc/38/86/79/648388679.db2.gz LFEIROVLHCXDNK-UHFFFAOYSA-N 1 2 294.362 2.449 20 30 CEEDLO COc1cccc(C[NH2+]Cc2cc(C#N)ccc2F)n1 ZINC000790973523 648465996 /nfs/dbraw/zinc/46/59/96/648465996.db2.gz PQRGLPDWNSGEMI-UHFFFAOYSA-N 1 2 271.295 2.391 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)c(F)c1 ZINC000791391799 648515749 /nfs/dbraw/zinc/51/57/49/648515749.db2.gz OZRPUKDJNDRVKT-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)c(F)c1 ZINC000791391799 648515751 /nfs/dbraw/zinc/51/57/51/648515751.db2.gz OZRPUKDJNDRVKT-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO O=C(C=Cc1c[nH+]c2ccccn12)c1cc[nH]c(=O)c1 ZINC000791430486 648524113 /nfs/dbraw/zinc/52/41/13/648524113.db2.gz BWEJNNMGMCUEJC-PLNGDYQASA-N 1 2 265.272 2.331 20 30 CEEDLO C[C@H](C#N)C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792258372 648631415 /nfs/dbraw/zinc/63/14/15/648631415.db2.gz FAMJTSPIVHAFMY-YPMHNXCESA-N 1 2 262.353 2.096 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792258372 648631418 /nfs/dbraw/zinc/63/14/18/648631418.db2.gz FAMJTSPIVHAFMY-YPMHNXCESA-N 1 2 262.353 2.096 20 30 CEEDLO Cc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)n(C)n1 ZINC000794714406 648905872 /nfs/dbraw/zinc/90/58/72/648905872.db2.gz QRSBAOZZXQTVNN-WAYWQWQTSA-N 1 2 290.392 2.143 20 30 CEEDLO CCOc1cccc(F)c1C=NNCCCn1cc[nH+]c1 ZINC000872387017 649376800 /nfs/dbraw/zinc/37/68/00/649376800.db2.gz CNXMFSSKVRGLLU-UHFFFAOYSA-N 1 2 290.342 2.435 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000878441201 651096866 /nfs/dbraw/zinc/09/68/66/651096866.db2.gz AVACHHBORQMUPO-RDJZCZTQSA-N 1 2 287.359 2.236 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000878441201 651096867 /nfs/dbraw/zinc/09/68/67/651096867.db2.gz AVACHHBORQMUPO-RDJZCZTQSA-N 1 2 287.359 2.236 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000878770916 651182451 /nfs/dbraw/zinc/18/24/51/651182451.db2.gz XXUYYVFDYAUXHB-STQMWFEESA-N 1 2 267.369 2.138 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000878770916 651182452 /nfs/dbraw/zinc/18/24/52/651182452.db2.gz XXUYYVFDYAUXHB-STQMWFEESA-N 1 2 267.369 2.138 20 30 CEEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CC#N)cc1C ZINC000878817697 651192030 /nfs/dbraw/zinc/19/20/30/651192030.db2.gz YDVTWQFTJXCNLU-HNNXBMFYSA-N 1 2 298.390 2.442 20 30 CEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000879297476 651278295 /nfs/dbraw/zinc/27/82/95/651278295.db2.gz NEKOEOQJYHKBPR-LBPRGKRZSA-N 1 2 261.369 2.338 20 30 CEEDLO C=C(CC)C[N@@H+]1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000879359088 651292115 /nfs/dbraw/zinc/29/21/15/651292115.db2.gz OWOKITJHYBSQFI-MRXNPFEDSA-N 1 2 299.411 2.012 20 30 CEEDLO C=C(CC)C[N@H+]1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000879359088 651292117 /nfs/dbraw/zinc/29/21/17/651292117.db2.gz OWOKITJHYBSQFI-MRXNPFEDSA-N 1 2 299.411 2.012 20 30 CEEDLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432818 651303398 /nfs/dbraw/zinc/30/33/98/651303398.db2.gz HZHSKTDOPKEQCR-LBPRGKRZSA-N 1 2 296.378 2.115 20 30 CEEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432818 651303399 /nfs/dbraw/zinc/30/33/99/651303399.db2.gz HZHSKTDOPKEQCR-LBPRGKRZSA-N 1 2 296.378 2.115 20 30 CEEDLO CC#CCC[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737638 651344789 /nfs/dbraw/zinc/34/47/89/651344789.db2.gz IHOMHKZICOOMTF-INIZCTEOSA-N 1 2 259.349 2.482 20 30 CEEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737638 651344790 /nfs/dbraw/zinc/34/47/90/651344790.db2.gz IHOMHKZICOOMTF-INIZCTEOSA-N 1 2 259.349 2.482 20 30 CEEDLO C#CCCC[NH2+][C@@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000880390949 651434551 /nfs/dbraw/zinc/43/45/51/651434551.db2.gz WKTNHOIFNLLXIA-INIZCTEOSA-N 1 2 277.339 2.303 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C)c(C)o2)cc1 ZINC000129153702 651834676 /nfs/dbraw/zinc/83/46/76/651834676.db2.gz NUSUJDNXLBDNBC-UHFFFAOYSA-N 1 2 289.335 2.332 20 30 CEEDLO Cc1nc(C#N)cc(NCCc2cn3cccc(C)c3[nH+]2)n1 ZINC000882044723 651945606 /nfs/dbraw/zinc/94/56/06/651945606.db2.gz PPEUFUMLPMOXHK-UHFFFAOYSA-N 1 2 292.346 2.267 20 30 CEEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)[C@H](C)CC#N ZINC000131141261 652386464 /nfs/dbraw/zinc/38/64/64/652386464.db2.gz UBKBKUIPNYVHPH-GFCCVEGCSA-N 1 2 294.362 2.317 20 30 CEEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@H](C)CC#N ZINC000131141261 652386468 /nfs/dbraw/zinc/38/64/68/652386468.db2.gz UBKBKUIPNYVHPH-GFCCVEGCSA-N 1 2 294.362 2.317 20 30 CEEDLO C#CCOc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000132254310 652508523 /nfs/dbraw/zinc/50/85/23/652508523.db2.gz DPDFIICHWMRAQU-ZDUSSCGKSA-N 1 2 295.342 2.096 20 30 CEEDLO C#C[C@@H](CC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883700941 652536790 /nfs/dbraw/zinc/53/67/90/652536790.db2.gz AGOLVSOUMOPIGK-HOTGVXAUSA-N 1 2 296.374 2.335 20 30 CEEDLO C#CC[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000884594248 652934638 /nfs/dbraw/zinc/93/46/38/652934638.db2.gz DAPFPHLHSOSQMZ-ZDUSSCGKSA-N 1 2 256.353 2.148 20 30 CEEDLO C#CC[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000884594248 652934640 /nfs/dbraw/zinc/93/46/40/652934640.db2.gz DAPFPHLHSOSQMZ-ZDUSSCGKSA-N 1 2 256.353 2.148 20 30 CEEDLO C=CC[NH+]1CCN([C@@H](F)Oc2ccc(Cl)nc2)CC1 ZINC001165031579 721866841 /nfs/dbraw/zinc/86/68/41/721866841.db2.gz OCKJMBHYXRYZBQ-CYBMUJFWSA-N 1 2 285.750 2.171 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H]1CC ZINC001087565198 805749775 /nfs/dbraw/zinc/74/97/75/805749775.db2.gz MQWHYSDRKREWDI-NWDGAFQWSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H]1CC ZINC001087565198 805749777 /nfs/dbraw/zinc/74/97/77/805749777.db2.gz MQWHYSDRKREWDI-NWDGAFQWSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084246 802339292 /nfs/dbraw/zinc/33/92/92/802339292.db2.gz MHRVWYLDGJENMH-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208084246 802339309 /nfs/dbraw/zinc/33/93/09/802339309.db2.gz MHRVWYLDGJENMH-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CCN(CC[N@@H+]1CCc2occc2C1)C(=O)OCC ZINC001209021341 802451477 /nfs/dbraw/zinc/45/14/77/802451477.db2.gz YDTZCXXETCJNON-UHFFFAOYSA-N 1 2 278.352 2.282 20 30 CEEDLO C=CCN(CC[N@H+]1CCc2occc2C1)C(=O)OCC ZINC001209021341 802451480 /nfs/dbraw/zinc/45/14/80/802451480.db2.gz YDTZCXXETCJNON-UHFFFAOYSA-N 1 2 278.352 2.282 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039062603 802469339 /nfs/dbraw/zinc/46/93/39/802469339.db2.gz UHQXNKNOSFMRKH-QGZVFWFLSA-N 1 2 282.387 2.391 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039062603 802469344 /nfs/dbraw/zinc/46/93/44/802469344.db2.gz UHQXNKNOSFMRKH-QGZVFWFLSA-N 1 2 282.387 2.391 20 30 CEEDLO C[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)c2ncnn21 ZINC000922236762 809072872 /nfs/dbraw/zinc/07/28/72/809072872.db2.gz FJCRXFJMWPJXDZ-GZMMTYOYSA-N 1 2 259.338 2.007 20 30 CEEDLO Cc1[nH+]cc(Nc2c(C#N)cnn2C(C)C)cc1N ZINC001210287284 802666025 /nfs/dbraw/zinc/66/60/25/802666025.db2.gz PKCJXPALHRWLQR-UHFFFAOYSA-N 1 2 256.313 2.365 20 30 CEEDLO C=CCC(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001167363402 802738189 /nfs/dbraw/zinc/73/81/89/802738189.db2.gz WKIJPJQVXSKMDM-NSHDSACASA-N 1 2 294.399 2.137 20 30 CEEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001167377257 802748151 /nfs/dbraw/zinc/74/81/51/802748151.db2.gz QZSKTVMIKVAAOX-CQSZACIVSA-N 1 2 288.366 2.385 20 30 CEEDLO CCc1cc(CN2CC[NH2+]CC(F)(F)C2)ccc1C#N ZINC001211354926 802815876 /nfs/dbraw/zinc/81/58/76/802815876.db2.gz STDAGMSELUBESS-UHFFFAOYSA-N 1 2 279.334 2.161 20 30 CEEDLO Cc1c[nH+]cc(Nc2c(C#N)cnc3c(C#N)cnn32)c1C ZINC001213525426 802827796 /nfs/dbraw/zinc/82/77/96/802827796.db2.gz WGVZFVRVDAAATF-UHFFFAOYSA-N 1 2 289.302 2.228 20 30 CEEDLO N#CCOc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000066737974 802841399 /nfs/dbraw/zinc/84/13/99/802841399.db2.gz YNEDBAWPHHFMCZ-UHFFFAOYSA-N 1 2 259.334 2.335 20 30 CEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(C)=O)CC1 ZINC001158996521 813158991 /nfs/dbraw/zinc/15/89/91/813158991.db2.gz FFAMYWUALKQFPF-UHFFFAOYSA-N 1 2 287.201 2.053 20 30 CEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(C)=O)CC1 ZINC001158996521 813158996 /nfs/dbraw/zinc/15/89/96/813158996.db2.gz FFAMYWUALKQFPF-UHFFFAOYSA-N 1 2 287.201 2.053 20 30 CEEDLO C=C(C)C(=O)NCCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167667836 803287055 /nfs/dbraw/zinc/28/70/55/803287055.db2.gz QIQHKEYNUOAPLC-UHFFFAOYSA-N 1 2 284.363 2.131 20 30 CEEDLO C=CCN1CC[NH+](CCN(C)C(=O)CCCC(C)C)CC1 ZINC001267574392 803558229 /nfs/dbraw/zinc/55/82/29/803558229.db2.gz FTDWUAAUKJXKER-UHFFFAOYSA-N 1 2 295.471 2.075 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCC3CC3)CC2)C1 ZINC001093519369 814947412 /nfs/dbraw/zinc/94/74/12/814947412.db2.gz LFNLZNPUSGMNNK-UHFFFAOYSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001267762343 803715610 /nfs/dbraw/zinc/71/56/10/803715610.db2.gz FOWHFQANUALKAD-AWEZNQCLSA-N 1 2 291.395 2.310 20 30 CEEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001267762343 803715614 /nfs/dbraw/zinc/71/56/14/803715614.db2.gz FOWHFQANUALKAD-AWEZNQCLSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001268028008 804076368 /nfs/dbraw/zinc/07/63/68/804076368.db2.gz XJOFXSHQTYQXTK-OAHLLOKOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001268028008 804076377 /nfs/dbraw/zinc/07/63/77/804076377.db2.gz XJOFXSHQTYQXTK-OAHLLOKOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1onc(C)c1C ZINC001027958131 804362195 /nfs/dbraw/zinc/36/21/95/804362195.db2.gz BASWWTXVRFVUQB-LBPRGKRZSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1onc(C)c1C ZINC001027958131 804362204 /nfs/dbraw/zinc/36/22/04/804362204.db2.gz BASWWTXVRFVUQB-LBPRGKRZSA-N 1 2 297.786 2.238 20 30 CEEDLO N#CCc1ccc[nH+]c1NCc1ccc(-n2cccn2)nc1 ZINC001171431143 815042415 /nfs/dbraw/zinc/04/24/15/815042415.db2.gz OGEQAYILBKCPMI-UHFFFAOYSA-N 1 2 290.330 2.340 20 30 CEEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001269239958 805098362 /nfs/dbraw/zinc/09/83/62/805098362.db2.gz GITLIBUKUPPDML-AWEZNQCLSA-N 1 2 291.395 2.338 20 30 CEEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001269239958 805098371 /nfs/dbraw/zinc/09/83/71/805098371.db2.gz GITLIBUKUPPDML-AWEZNQCLSA-N 1 2 291.395 2.338 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCOCC)C1 ZINC001269314327 805125581 /nfs/dbraw/zinc/12/55/81/805125581.db2.gz SESFRZUCPZVAEF-ZDUSSCGKSA-N 1 2 288.819 2.088 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCOCC)C1 ZINC001269314327 805125584 /nfs/dbraw/zinc/12/55/84/805125584.db2.gz SESFRZUCPZVAEF-ZDUSSCGKSA-N 1 2 288.819 2.088 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](C)n2cccc2)C1 ZINC001269876872 805274803 /nfs/dbraw/zinc/27/48/03/805274803.db2.gz ZIIMHVPFQFQCGT-CQSZACIVSA-N 1 2 275.396 2.158 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)COc2ccccc2Cl)C1 ZINC001269887023 805277979 /nfs/dbraw/zinc/27/79/79/805277979.db2.gz RIFVODLOQTZSGL-UHFFFAOYSA-N 1 2 294.782 2.047 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCC[C@@H]2CC)C1 ZINC001030529427 807221446 /nfs/dbraw/zinc/22/14/46/807221446.db2.gz KWICMZRWXPUQMC-BBRMVZONSA-N 1 2 262.397 2.027 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(F)ccc2CC)C1 ZINC001030608285 807251108 /nfs/dbraw/zinc/25/11/08/807251108.db2.gz CFPQKTCHSBVOBR-UHFFFAOYSA-N 1 2 276.355 2.378 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@H]1C ZINC001088939679 807286129 /nfs/dbraw/zinc/28/61/29/807286129.db2.gz DGMXRMFHDXVFFC-PWSUYJOCSA-N 1 2 297.761 2.166 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2F)[C@H]1C ZINC001088939679 807286135 /nfs/dbraw/zinc/28/61/35/807286135.db2.gz DGMXRMFHDXVFFC-PWSUYJOCSA-N 1 2 297.761 2.166 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001030662300 807295053 /nfs/dbraw/zinc/29/50/53/807295053.db2.gz GNOMIVOUKWWKEZ-CHWSQXEVSA-N 1 2 250.386 2.045 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001030743344 807353869 /nfs/dbraw/zinc/35/38/69/807353869.db2.gz HJBGVSDXJBMEAL-UHFFFAOYSA-N 1 2 296.370 2.487 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001030789488 807381753 /nfs/dbraw/zinc/38/17/53/807381753.db2.gz JOCMOQNKHUYTIZ-UHFFFAOYSA-N 1 2 290.794 2.394 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2CC)C1 ZINC001030862215 807438127 /nfs/dbraw/zinc/43/81/27/807438127.db2.gz IEOSGPLUWPZFQT-UHFFFAOYSA-N 1 2 258.365 2.239 20 30 CEEDLO C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001089249062 807461052 /nfs/dbraw/zinc/46/10/52/807461052.db2.gz FLVGUMWBZAYUQK-RYUDHWBXSA-N 1 2 276.384 2.446 20 30 CEEDLO C#CC[C@@H](COC)Nc1nc(C)[nH+]c(C)c1Br ZINC000716390983 815120812 /nfs/dbraw/zinc/12/08/12/815120812.db2.gz FSFATJWCMIVFGS-JTQLQIEISA-N 1 2 298.184 2.306 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001031042204 807614739 /nfs/dbraw/zinc/61/47/39/807614739.db2.gz LZBCXDURMIQXBF-UHFFFAOYSA-N 1 2 288.366 2.234 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cccn2C2CCCC2)C1 ZINC001031157267 807699881 /nfs/dbraw/zinc/69/98/81/807699881.db2.gz ANBROFVGEITQKL-UHFFFAOYSA-N 1 2 285.391 2.041 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001031279323 807863776 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CEEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H](C#N)CC)CC2 ZINC001173608087 815762393 /nfs/dbraw/zinc/76/23/93/815762393.db2.gz ZUDFZBAXKUGIIR-UQJCBBSYSA-N 1 2 264.369 2.390 20 30 CEEDLO CCOC(=O)[C@@H]1CC12CCC([N@H+](C)[C@H](C)C#N)CC2 ZINC001173628228 815770137 /nfs/dbraw/zinc/77/01/37/815770137.db2.gz RXBHYKQZOSIVMC-UQJCBBSYSA-N 1 2 264.369 2.342 20 30 CEEDLO CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)[C@H](C)C#N)CC2 ZINC001173628228 815770144 /nfs/dbraw/zinc/77/01/44/815770144.db2.gz RXBHYKQZOSIVMC-UQJCBBSYSA-N 1 2 264.369 2.342 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC001138341102 815771837 /nfs/dbraw/zinc/77/18/37/815771837.db2.gz HMJQOUXKVFKFNI-GASCZTMLSA-N 1 2 287.359 2.070 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC001138341102 815771839 /nfs/dbraw/zinc/77/18/39/815771839.db2.gz HMJQOUXKVFKFNI-GASCZTMLSA-N 1 2 287.359 2.070 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc3cc(C)ccc3[nH]2)CC1 ZINC001138417324 815794226 /nfs/dbraw/zinc/79/42/26/815794226.db2.gz 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/nfs/dbraw/zinc/09/75/07/816097507.db2.gz KCCMRULTGXYRMY-GJZGRUSLSA-N 1 2 299.418 2.160 20 30 CEEDLO COc1cccc(-c2ncc(C[NH+]3CC(CC#N)C3)cn2)c1 ZINC001140192010 816207421 /nfs/dbraw/zinc/20/74/21/816207421.db2.gz UUQGRCXQRGNVAK-UHFFFAOYSA-N 1 2 294.358 2.498 20 30 CEEDLO N#Cc1oc2ccccc2c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176827048 816479014 /nfs/dbraw/zinc/47/90/14/816479014.db2.gz DPNWPEARQRJASD-UHFFFAOYSA-N 1 2 266.260 2.209 20 30 CEEDLO N#Cc1ccc(F)c(F)c1NC(=O)CCn1cc[nH+]c1 ZINC001176878637 816488874 /nfs/dbraw/zinc/48/88/74/816488874.db2.gz CGCZTQXJKAKPRO-UHFFFAOYSA-N 1 2 276.246 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@@H]21 ZINC001176978196 816503602 /nfs/dbraw/zinc/50/36/02/816503602.db2.gz RULDBJOHMQGDNW-JKSUJKDBSA-N 1 2 292.423 2.221 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@@H]21 ZINC001176978196 816503607 /nfs/dbraw/zinc/50/36/07/816503607.db2.gz RULDBJOHMQGDNW-JKSUJKDBSA-N 1 2 292.423 2.221 20 30 CEEDLO C[C@H](C(=O)Nc1ccc(F)c(C#N)c1F)n1cc[nH+]c1 ZINC001177926210 816645317 /nfs/dbraw/zinc/64/53/17/816645317.db2.gz YPXHNVDFXYKJAP-MRVPVSSYSA-N 1 2 276.246 2.233 20 30 CEEDLO N#CC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142508620 816677442 /nfs/dbraw/zinc/67/74/42/816677442.db2.gz FKIMICUPBIMRGU-UHFFFAOYSA-N 1 2 252.264 2.406 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001142599860 816692412 /nfs/dbraw/zinc/69/24/12/816692412.db2.gz XQMUPQHKCGDPSN-CYBMUJFWSA-N 1 2 258.321 2.209 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001142599860 816692414 /nfs/dbraw/zinc/69/24/14/816692414.db2.gz XQMUPQHKCGDPSN-CYBMUJFWSA-N 1 2 258.321 2.209 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3ccc4nccn4c3)CC[C@H]2S1 ZINC001143023308 816772914 /nfs/dbraw/zinc/77/29/14/816772914.db2.gz YAJLUKDIDOZOJH-CYBMUJFWSA-N 1 2 285.372 2.108 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3ccc4nccn4c3)CC[C@H]2S1 ZINC001143023308 816772918 /nfs/dbraw/zinc/77/29/18/816772918.db2.gz YAJLUKDIDOZOJH-CYBMUJFWSA-N 1 2 285.372 2.108 20 30 CEEDLO C[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000601314701 346817259 /nfs/dbraw/zinc/81/72/59/346817259.db2.gz NYLYGJJGSSFNRT-KGLIPLIRSA-N 1 2 298.390 2.377 20 30 CEEDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(C#N)s1 ZINC000124794464 187153945 /nfs/dbraw/zinc/15/39/45/187153945.db2.gz VQWWOLZMNLKOKI-UHFFFAOYSA-N 1 2 279.409 2.358 20 30 CEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(C#N)s1 ZINC000124794464 187153946 /nfs/dbraw/zinc/15/39/46/187153946.db2.gz VQWWOLZMNLKOKI-UHFFFAOYSA-N 1 2 279.409 2.358 20 30 CEEDLO N#CC1(C(=O)Nc2ccn3cc[nH+]c3c2)CC2(CC2)C1 ZINC000601546139 346848745 /nfs/dbraw/zinc/84/87/45/346848745.db2.gz JESYQXCOAGKKIO-UHFFFAOYSA-N 1 2 266.304 2.357 20 30 CEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601587707 346855158 /nfs/dbraw/zinc/85/51/58/346855158.db2.gz IVHRQQYYOKLZGM-INIZCTEOSA-N 1 2 280.331 2.499 20 30 CEEDLO N#Cc1cc(F)ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000097036335 185166272 /nfs/dbraw/zinc/16/62/72/185166272.db2.gz YUAKMUFPKNXFDK-UHFFFAOYSA-N 1 2 287.298 2.106 20 30 CEEDLO N#C[C@H]1CC[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000601649443 346869494 /nfs/dbraw/zinc/86/94/94/346869494.db2.gz XUISVIRLLNGBEH-LSDHHAIUSA-N 1 2 294.358 2.223 20 30 CEEDLO C[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)[NH+]1CCSCC1 ZINC000601711363 346885286 /nfs/dbraw/zinc/88/52/86/346885286.db2.gz PRJJJFNPVHDJOM-JTQLQIEISA-N 1 2 293.367 2.073 20 30 CEEDLO C=C(C)C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125850632 365689254 /nfs/dbraw/zinc/68/92/54/365689254.db2.gz VCQPFKKQCFHCBA-UHFFFAOYSA-N 1 2 262.328 2.046 20 30 CEEDLO C=C(C)C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125850632 365689258 /nfs/dbraw/zinc/68/92/58/365689258.db2.gz VCQPFKKQCFHCBA-UHFFFAOYSA-N 1 2 262.328 2.046 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000042293116 362079150 /nfs/dbraw/zinc/07/91/50/362079150.db2.gz WXJKYIHXZJSYOG-GJZGRUSLSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000042293116 362079154 /nfs/dbraw/zinc/07/91/54/362079154.db2.gz 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JPDOFCPLVBWJIV-UHFFFAOYSA-N 1 2 276.355 2.340 20 30 CEEDLO N#Cc1cccc(CNC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000057376182 343629384 /nfs/dbraw/zinc/62/93/84/343629384.db2.gz WSLPINDEFBNLEJ-UHFFFAOYSA-N 1 2 297.362 2.034 20 30 CEEDLO N#CCCCCN1CC[NH+](CCOc2ccccc2)CC1 ZINC000057598740 343633793 /nfs/dbraw/zinc/63/37/93/343633793.db2.gz WZGJEXKOWXJRLL-UHFFFAOYSA-N 1 2 287.407 2.377 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](O)c1c(F)cccc1F ZINC000081039485 344036446 /nfs/dbraw/zinc/03/64/46/344036446.db2.gz UWSWTNNWVCDYIQ-LBPRGKRZSA-N 1 2 254.280 2.234 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](O)c1c(F)cccc1F ZINC000081039485 344036448 /nfs/dbraw/zinc/03/64/48/344036448.db2.gz UWSWTNNWVCDYIQ-LBPRGKRZSA-N 1 2 254.280 2.234 20 30 CEEDLO CN(C)c1cccc(C[NH2+]Cc2cccc(F)c2C#N)n1 ZINC000602016097 346959771 /nfs/dbraw/zinc/95/97/71/346959771.db2.gz UKTKCRCADVWZLZ-UHFFFAOYSA-N 1 2 284.338 2.448 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000068612231 343769456 /nfs/dbraw/zinc/76/94/56/343769456.db2.gz 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/nfs/dbraw/zinc/88/49/83/343884983.db2.gz JQQHUFQIFUHAMD-UHFFFAOYSA-N 1 2 250.301 2.410 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000602303997 347008824 /nfs/dbraw/zinc/00/88/24/347008824.db2.gz ZFELREDEIKEVMS-CQSZACIVSA-N 1 2 295.346 2.110 20 30 CEEDLO CCCc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000602331383 347012822 /nfs/dbraw/zinc/01/28/22/347012822.db2.gz CMPHQNXGERIXJU-CQSZACIVSA-N 1 2 279.409 2.274 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCCc1cccs1 ZINC000081514196 344055129 /nfs/dbraw/zinc/05/51/29/344055129.db2.gz ZUBBZFNSWFGKRQ-GFCCVEGCSA-N 1 2 279.409 2.031 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCCc1cccs1 ZINC000081514196 344055133 /nfs/dbraw/zinc/05/51/33/344055133.db2.gz ZUBBZFNSWFGKRQ-GFCCVEGCSA-N 1 2 279.409 2.031 20 30 CEEDLO N#CCNC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422333 344076660 /nfs/dbraw/zinc/07/66/60/344076660.db2.gz GBKHVNVDNCLWJU-UHFFFAOYSA-N 1 2 289.766 2.069 20 30 CEEDLO N#CCNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 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ZINC000602434980 347031627 /nfs/dbraw/zinc/03/16/27/347031627.db2.gz RRXVEDWGPQNNQM-LBPRGKRZSA-N 1 2 252.321 2.332 20 30 CEEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccns2)CC1 ZINC000602438216 347032286 /nfs/dbraw/zinc/03/22/86/347032286.db2.gz OQMUQRBNWJSQNC-UHFFFAOYSA-N 1 2 284.388 2.337 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCC1CCC1 ZINC000109811824 344267494 /nfs/dbraw/zinc/26/74/94/344267494.db2.gz XVPXARSAMGFINN-UHFFFAOYSA-N 1 2 265.401 2.164 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCC1CCC1 ZINC000109811824 344267497 /nfs/dbraw/zinc/26/74/97/344267497.db2.gz XVPXARSAMGFINN-UHFFFAOYSA-N 1 2 265.401 2.164 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000293334545 344692066 /nfs/dbraw/zinc/69/20/66/344692066.db2.gz YHTGXNMSTQIPPI-UHFFFAOYSA-N 1 2 274.389 2.080 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000293334545 344692070 /nfs/dbraw/zinc/69/20/70/344692070.db2.gz YHTGXNMSTQIPPI-UHFFFAOYSA-N 1 2 274.389 2.080 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(CCCCC2)O1 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Cc1cc(C#N)cc(NCCc2cn3cccc(C)c3[nH+]2)n1 ZINC000587990067 345032665 /nfs/dbraw/zinc/03/26/65/345032665.db2.gz WJYYNJUXQJYUOR-UHFFFAOYSA-N 1 2 291.358 2.294 20 30 CEEDLO Cn1cnnc1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588215143 345042856 /nfs/dbraw/zinc/04/28/56/345042856.db2.gz NKIWEXTXGSJTQL-UHFFFAOYSA-N 1 2 283.379 2.248 20 30 CEEDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588215143 345042860 /nfs/dbraw/zinc/04/28/60/345042860.db2.gz NKIWEXTXGSJTQL-UHFFFAOYSA-N 1 2 283.379 2.248 20 30 CEEDLO Cc1ncsc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000589257751 345073881 /nfs/dbraw/zinc/07/38/81/345073881.db2.gz KYUJSHUCEJMBLM-CYBMUJFWSA-N 1 2 278.425 2.117 20 30 CEEDLO CCO[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000589494182 345084362 /nfs/dbraw/zinc/08/43/62/345084362.db2.gz CGLLJTJJFPERGO-NSHDSACASA-N 1 2 251.355 2.016 20 30 CEEDLO CCO[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000589494182 345084364 /nfs/dbraw/zinc/08/43/64/345084364.db2.gz CGLLJTJJFPERGO-NSHDSACASA-N 1 2 251.355 2.016 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cc(C)c(O)c(C)c1 ZINC000589162744 345067878 /nfs/dbraw/zinc/06/78/78/345067878.db2.gz KQXWMXNVBRWJBF-UHFFFAOYSA-N 1 2 262.353 2.371 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cc(C)c(O)c(C)c1 ZINC000589162744 345067880 /nfs/dbraw/zinc/06/78/80/345067880.db2.gz KQXWMXNVBRWJBF-UHFFFAOYSA-N 1 2 262.353 2.371 20 30 CEEDLO C=CC[N@@H+](CC(=O)NCCC)Cc1ccccc1F ZINC000056312529 362558367 /nfs/dbraw/zinc/55/83/67/362558367.db2.gz XKVRBGHMVHUXCZ-UHFFFAOYSA-N 1 2 264.344 2.340 20 30 CEEDLO C=CC[N@H+](CC(=O)NCCC)Cc1ccccc1F ZINC000056312529 362558372 /nfs/dbraw/zinc/55/83/72/362558372.db2.gz XKVRBGHMVHUXCZ-UHFFFAOYSA-N 1 2 264.344 2.340 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(C)cc(C#N)c1)CC2 ZINC000590858526 345190973 /nfs/dbraw/zinc/19/09/73/345190973.db2.gz YBUROZTVWVMOAM-UHFFFAOYSA-N 1 2 295.346 2.419 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000590362590 345130912 /nfs/dbraw/zinc/13/09/12/345130912.db2.gz RCHAWNMODLYVJW-MRXNPFEDSA-N 1 2 285.347 2.143 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000590362590 345130913 /nfs/dbraw/zinc/13/09/13/345130913.db2.gz RCHAWNMODLYVJW-MRXNPFEDSA-N 1 2 285.347 2.143 20 30 CEEDLO Cc1cc(NC[C@@H](c2ccnn2C)C(C)C)c(C#N)c[nH+]1 ZINC000591823887 345285122 /nfs/dbraw/zinc/28/51/22/345285122.db2.gz BHNQQZYRLXUSAV-CQSZACIVSA-N 1 2 283.379 2.269 20 30 CEEDLO N#Cc1cncnc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000591942998 345304200 /nfs/dbraw/zinc/30/42/00/345304200.db2.gz GRHZUOFNGWBMKT-HDJSIYSDSA-N 1 2 294.362 2.000 20 30 CEEDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)[C@@H]1SC ZINC000591989518 345311112 /nfs/dbraw/zinc/31/11/12/345311112.db2.gz IBPZDGQVWBNLJD-MCIONIFRSA-N 1 2 277.393 2.005 20 30 CEEDLO Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)C#N)cn1 ZINC000592506829 345362587 /nfs/dbraw/zinc/36/25/87/345362587.db2.gz FTXSLUJAICXHLR-GFCCVEGCSA-N 1 2 254.337 2.430 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131200 345327832 /nfs/dbraw/zinc/32/78/32/345327832.db2.gz USPALKHJEXLZOC-AWEZNQCLSA-N 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/nfs/dbraw/zinc/40/03/16/345400316.db2.gz QSLDVBMHKUMIQS-CQSZACIVSA-N 1 2 294.358 2.212 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(CCC#N)C(C)C)ccn12 ZINC000594257284 345605901 /nfs/dbraw/zinc/60/59/01/345605901.db2.gz FBIMNLOWXJGEIC-UHFFFAOYSA-N 1 2 270.336 2.407 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000594286019 345608317 /nfs/dbraw/zinc/60/83/17/345608317.db2.gz ILTJRUVWCZLAMH-LBPRGKRZSA-N 1 2 282.347 2.119 20 30 CEEDLO COCCOC1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594608717 345660418 /nfs/dbraw/zinc/66/04/18/345660418.db2.gz ZHGXFCYFOLDZFX-UHFFFAOYSA-N 1 2 288.391 2.335 20 30 CEEDLO N#CCC1(Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CC1 ZINC000594652134 345667023 /nfs/dbraw/zinc/66/70/23/345667023.db2.gz OOSDUPQYILABAE-UHFFFAOYSA-N 1 2 299.353 2.401 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(C2CC2)c1 ZINC000573688929 334958285 /nfs/dbraw/zinc/95/82/85/334958285.db2.gz NOSHFSDOEBEYGH-QGZVFWFLSA-N 1 2 285.391 2.067 20 30 CEEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2 ZINC000595558530 345812983 /nfs/dbraw/zinc/81/29/83/345812983.db2.gz AEJDYOAZHGXIES-JCURWCKSSA-N 1 2 295.386 2.321 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2 ZINC000595558530 345812986 /nfs/dbraw/zinc/81/29/86/345812986.db2.gz AEJDYOAZHGXIES-JCURWCKSSA-N 1 2 295.386 2.321 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000573739654 334962354 /nfs/dbraw/zinc/96/23/54/334962354.db2.gz AUDHKXICDSRSEW-ZFWWWQNUSA-N 1 2 271.364 2.288 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CCc1nnn(C(C)(C)C)n1 ZINC000595329585 345762759 /nfs/dbraw/zinc/76/27/59/345762759.db2.gz VHDPMRFDNRFTKZ-UHFFFAOYSA-N 1 2 292.431 2.232 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CCc1nnn(C(C)(C)C)n1 ZINC000595329585 345762761 /nfs/dbraw/zinc/76/27/61/345762761.db2.gz VHDPMRFDNRFTKZ-UHFFFAOYSA-N 1 2 292.431 2.232 20 30 CEEDLO Cc1ccn2cc(CNC(=O)N3CC[C@@](C)(C#N)C3)[nH+]c2c1 ZINC000595513680 345801386 /nfs/dbraw/zinc/80/13/86/345801386.db2.gz YWRMFPOSWYLUSF-INIZCTEOSA-N 1 2 297.362 2.088 20 30 CEEDLO C[C@@H](C#N)N(CCc1[nH+]c2ccccc2n1C)C1CC1 ZINC000595713757 345858007 /nfs/dbraw/zinc/85/80/07/345858007.db2.gz WAVWDQKJJSTLFM-LBPRGKRZSA-N 1 2 268.364 2.492 20 30 CEEDLO C[C@H](C#N)N(Cc1[nH+]ccn1CC(F)(F)F)C1CC1 ZINC000595720041 345859814 /nfs/dbraw/zinc/85/98/14/345859814.db2.gz CKRDNCSUEBUGJQ-SECBINFHSA-N 1 2 272.274 2.322 20 30 CEEDLO C=CCCSCCNC(=O)NCCNc1cccc[nH+]1 ZINC000595725736 345860918 /nfs/dbraw/zinc/86/09/18/345860918.db2.gz NHDIDWGDPQJDRJ-UHFFFAOYSA-N 1 2 294.424 2.102 20 30 CEEDLO Cn1c(C[N@@H+]2CCC[C@H](CC#N)C2)nnc1C1CCC1 ZINC000595619416 345829739 /nfs/dbraw/zinc/82/97/39/345829739.db2.gz AKQHGDKGLLOPAC-GFCCVEGCSA-N 1 2 273.384 2.208 20 30 CEEDLO Cn1c(C[N@H+]2CCC[C@H](CC#N)C2)nnc1C1CCC1 ZINC000595619416 345829740 /nfs/dbraw/zinc/82/97/40/345829740.db2.gz AKQHGDKGLLOPAC-GFCCVEGCSA-N 1 2 273.384 2.208 20 30 CEEDLO CN(C)c1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595638387 345834358 /nfs/dbraw/zinc/83/43/58/345834358.db2.gz CNJFUXNVEHBOOO-UHFFFAOYSA-N 1 2 285.351 2.032 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)COC ZINC000595646477 345837275 /nfs/dbraw/zinc/83/72/75/345837275.db2.gz KSDBXYABVFRBNE-CYBMUJFWSA-N 1 2 287.363 2.020 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)COC ZINC000595646477 345837280 /nfs/dbraw/zinc/83/72/80/345837280.db2.gz KSDBXYABVFRBNE-CYBMUJFWSA-N 1 2 287.363 2.020 20 30 CEEDLO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842262 345896156 /nfs/dbraw/zinc/89/61/56/345896156.db2.gz CXXAFVHIPXORJP-MRXNPFEDSA-N 1 2 288.347 2.088 20 30 CEEDLO COC(=O)c1ccccc1OCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842262 345896158 /nfs/dbraw/zinc/89/61/58/345896158.db2.gz CXXAFVHIPXORJP-MRXNPFEDSA-N 1 2 288.347 2.088 20 30 CEEDLO CC[N@H+](CCC(=O)N(C)c1ccccc1)[C@@H](C)C#N ZINC000595819593 345885718 /nfs/dbraw/zinc/88/57/18/345885718.db2.gz DCEQPIPRRDNPGK-ZDUSSCGKSA-N 1 2 259.353 2.273 20 30 CEEDLO CC[N@@H+](CCC(=O)N(C)c1ccccc1)[C@@H](C)C#N ZINC000595819593 345885722 /nfs/dbraw/zinc/88/57/22/345885722.db2.gz DCEQPIPRRDNPGK-ZDUSSCGKSA-N 1 2 259.353 2.273 20 30 CEEDLO N#Cc1nc(NCCCCn2cc[nH+]c2)sc1Cl ZINC000596186342 345964061 /nfs/dbraw/zinc/96/40/61/345964061.db2.gz UQCRULGNVDQALJ-UHFFFAOYSA-N 1 2 281.772 2.179 20 30 CEEDLO Cc1cc(N2CC(CC#N)C2)nc(-c2ccncc2)[nH+]1 ZINC000596431953 346021939 /nfs/dbraw/zinc/02/19/39/346021939.db2.gz FEZSGXOUSOKEDO-UHFFFAOYSA-N 1 2 265.320 2.197 20 30 CEEDLO Cc1nc2[nH]ccc2c(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC000596332135 346001551 /nfs/dbraw/zinc/00/15/51/346001551.db2.gz WIMNNPUZMLNVHI-LLVKDONJSA-N 1 2 255.325 2.396 20 30 CEEDLO CC#CC[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273271988 192095115 /nfs/dbraw/zinc/09/51/15/192095115.db2.gz GPELNLKZLVZBDA-LLVKDONJSA-N 1 2 271.320 2.419 20 30 CEEDLO N#CC1(CNc2nc(N)[nH+]c3c2CCCC3)CCCCC1 ZINC000596498528 346039719 /nfs/dbraw/zinc/03/97/19/346039719.db2.gz DUCZBCBQSZTHOQ-UHFFFAOYSA-N 1 2 285.395 2.076 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1(C#N)CCCCC1 ZINC000596811401 346092736 /nfs/dbraw/zinc/09/27/36/346092736.db2.gz DAOGMBVQIYEBBL-ZDUSSCGKSA-N 1 2 274.368 2.252 20 30 CEEDLO N#CC1(CC(=O)NCCCn2cc[nH+]c2)CCCCC1 ZINC000596622363 346066935 /nfs/dbraw/zinc/06/69/35/346066935.db2.gz DMHAQOXHYWOWJH-UHFFFAOYSA-N 1 2 274.368 2.254 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)CC1(C#N)CCCCC1 ZINC000597334732 346173036 /nfs/dbraw/zinc/17/30/36/346173036.db2.gz VRFVGKPAYONQLH-UHFFFAOYSA-N 1 2 260.341 2.199 20 30 CEEDLO N#CCC1C[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000597194071 346145604 /nfs/dbraw/zinc/14/56/04/346145604.db2.gz MWUQZYMHASBFSQ-UHFFFAOYSA-N 1 2 270.311 2.357 20 30 CEEDLO COc1cc2c(cc1C[NH+]1CC(CC#N)C1)O[C@H](C)C2 ZINC000597194719 346146170 /nfs/dbraw/zinc/14/61/70/346146170.db2.gz YSILAKKCFXPKOA-LLVKDONJSA-N 1 2 272.348 2.364 20 30 CEEDLO N#CCC1C[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000597203579 346148187 /nfs/dbraw/zinc/14/81/87/346148187.db2.gz LJEDKCJSWOCLMV-UHFFFAOYSA-N 1 2 284.338 2.416 20 30 CEEDLO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000597229539 346155202 /nfs/dbraw/zinc/15/52/02/346155202.db2.gz CIJDYHXAXMUZET-HNNXBMFYSA-N 1 2 259.353 2.443 20 30 CEEDLO COc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000597229539 346155204 /nfs/dbraw/zinc/15/52/04/346155204.db2.gz CIJDYHXAXMUZET-HNNXBMFYSA-N 1 2 259.353 2.443 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000597231481 346156066 /nfs/dbraw/zinc/15/60/66/346156066.db2.gz YBKLSZOIIJXMFT-INIZCTEOSA-N 1 2 270.380 2.417 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000597231481 346156068 /nfs/dbraw/zinc/15/60/68/346156068.db2.gz YBKLSZOIIJXMFT-INIZCTEOSA-N 1 2 270.380 2.417 20 30 CEEDLO Cc1ccc2[nH+]cc(CN3CC[C@@](C)(C#N)C3)n2c1 ZINC000597231167 346156150 /nfs/dbraw/zinc/15/61/50/346156150.db2.gz WXOBLPLZIRBDPD-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO CC1(C)CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C#N ZINC000597567236 346202631 /nfs/dbraw/zinc/20/26/31/346202631.db2.gz CEKLIJQZHJEFCA-FZMZJTMJSA-N 1 2 286.379 2.055 20 30 CEEDLO CC1(C)CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C#N ZINC000597567236 346202635 /nfs/dbraw/zinc/20/26/35/346202635.db2.gz CEKLIJQZHJEFCA-FZMZJTMJSA-N 1 2 286.379 2.055 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597858029 346239634 /nfs/dbraw/zinc/23/96/34/346239634.db2.gz PDMCJEFLNUIOLK-UHFFFAOYSA-N 1 2 282.347 2.483 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597858029 346239638 /nfs/dbraw/zinc/23/96/38/346239638.db2.gz PDMCJEFLNUIOLK-UHFFFAOYSA-N 1 2 282.347 2.483 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863240 346241050 /nfs/dbraw/zinc/24/10/50/346241050.db2.gz LXTGPZZAGPYZRX-GFCCVEGCSA-N 1 2 282.347 2.119 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863240 346241052 /nfs/dbraw/zinc/24/10/52/346241052.db2.gz LXTGPZZAGPYZRX-GFCCVEGCSA-N 1 2 282.347 2.119 20 30 CEEDLO C[C@@H](C#N)N(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000598130297 346295408 /nfs/dbraw/zinc/29/54/08/346295408.db2.gz BLQRRSDJXLFXPY-ZDUSSCGKSA-N 1 2 294.358 2.448 20 30 CEEDLO C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1[nH+]ccn1C ZINC000598463775 346361240 /nfs/dbraw/zinc/36/12/40/346361240.db2.gz BYRBXUDDEWQXRC-ABAIWWIYSA-N 1 2 272.352 2.071 20 30 CEEDLO CCCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(C)C ZINC000598836314 346425594 /nfs/dbraw/zinc/42/55/94/346425594.db2.gz FZCWNMPKNAIATO-UKRRQHHQSA-N 1 2 267.417 2.409 20 30 CEEDLO CC1(C#N)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599070918 346455699 /nfs/dbraw/zinc/45/56/99/346455699.db2.gz MNBTYFLVEYJRRN-UHFFFAOYSA-N 1 2 268.276 2.493 20 30 CEEDLO Cc1nc(N2CCc3c(CC#N)cccc3C2)cc[nH+]1 ZINC000599195815 346477625 /nfs/dbraw/zinc/47/76/25/346477625.db2.gz XLRUEQDORHTEMQ-UHFFFAOYSA-N 1 2 264.332 2.414 20 30 CEEDLO C=C[C@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000623263513 349966738 /nfs/dbraw/zinc/96/67/38/349966738.db2.gz PAXICFVXDBDQMC-HIFRSBDPSA-N 1 2 281.359 2.284 20 30 CEEDLO Cc1ccc(CN2CCn3cc[nH+]c3C2)cc1C#N ZINC000599279536 346490233 /nfs/dbraw/zinc/49/02/33/346490233.db2.gz UBGMZBOUIFXAHC-UHFFFAOYSA-N 1 2 252.321 2.079 20 30 CEEDLO C=CCN(C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000599492837 346528523 /nfs/dbraw/zinc/52/85/23/346528523.db2.gz XQDYXVCXUULBKA-UHFFFAOYSA-N 1 2 255.321 2.492 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599579342 346541489 /nfs/dbraw/zinc/54/14/89/346541489.db2.gz BIZNLXIBMNYSAV-JHJVBQTASA-N 1 2 297.395 2.014 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599579342 346541490 /nfs/dbraw/zinc/54/14/90/346541490.db2.gz BIZNLXIBMNYSAV-JHJVBQTASA-N 1 2 297.395 2.014 20 30 CEEDLO COc1nccnc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212760 346624635 /nfs/dbraw/zinc/62/46/35/346624635.db2.gz IPWZIWAMALHFCL-UHFFFAOYSA-N 1 2 294.358 2.110 20 30 CEEDLO COc1nccnc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212760 346624638 /nfs/dbraw/zinc/62/46/38/346624638.db2.gz IPWZIWAMALHFCL-UHFFFAOYSA-N 1 2 294.358 2.110 20 30 CEEDLO CC(C)n1ncnc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000601105817 346754114 /nfs/dbraw/zinc/75/41/14/346754114.db2.gz NJPDOBPPQUGPSQ-UHFFFAOYSA-N 1 2 273.315 2.160 20 30 CEEDLO C=CCOCC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623291356 349975506 /nfs/dbraw/zinc/97/55/06/349975506.db2.gz IHFLBHRZOJLQDE-LBPRGKRZSA-N 1 2 260.337 2.032 20 30 CEEDLO C=CCOCC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623291356 349975508 /nfs/dbraw/zinc/97/55/08/349975508.db2.gz IHFLBHRZOJLQDE-LBPRGKRZSA-N 1 2 260.337 2.032 20 30 CEEDLO N#CCC1(CN2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000602793163 347200781 /nfs/dbraw/zinc/20/07/81/347200781.db2.gz GRDLSOBXMXAAKD-UHFFFAOYSA-N 1 2 285.391 2.204 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)C(=O)OC ZINC000602733691 347177610 /nfs/dbraw/zinc/17/76/10/347177610.db2.gz KZGBUXBHWRSKSM-MRXNPFEDSA-N 1 2 299.374 2.470 20 30 CEEDLO Cc1cccc2nc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cn21 ZINC000602858625 347227154 /nfs/dbraw/zinc/22/71/54/347227154.db2.gz UBEQPADTWJIWCB-GASCZTMLSA-N 1 2 297.406 2.061 20 30 CEEDLO Cc1cccc2nc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cn21 ZINC000602858625 347227160 /nfs/dbraw/zinc/22/71/60/347227160.db2.gz UBEQPADTWJIWCB-GASCZTMLSA-N 1 2 297.406 2.061 20 30 CEEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602861126 347228865 /nfs/dbraw/zinc/22/88/65/347228865.db2.gz FYSQOZKSWCRHLQ-RDBSUJKOSA-N 1 2 273.380 2.453 20 30 CEEDLO C=C(C)CC[NH2+][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602946450 347253878 /nfs/dbraw/zinc/25/38/78/347253878.db2.gz SSROTLVITWXVPL-OAHLLOKOSA-N 1 2 277.364 2.335 20 30 CEEDLO CCc1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602907527 347244227 /nfs/dbraw/zinc/24/42/27/347244227.db2.gz NJHUFQZOPJYDNY-UHFFFAOYSA-N 1 2 296.378 2.013 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1c[nH]nc1C ZINC000602944665 347253898 /nfs/dbraw/zinc/25/38/98/347253898.db2.gz WTKLWVMUDQHJGZ-UHFFFAOYSA-N 1 2 270.336 2.230 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000602944665 347253900 /nfs/dbraw/zinc/25/39/00/347253900.db2.gz WTKLWVMUDQHJGZ-UHFFFAOYSA-N 1 2 270.336 2.230 20 30 CEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@H]1CCC[C@H]1C#N ZINC000602976666 347261911 /nfs/dbraw/zinc/26/19/11/347261911.db2.gz RFKLMVUISSQAOU-MJBXVCDLSA-N 1 2 272.348 2.450 20 30 CEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H]1CCC[C@H]1C#N ZINC000602976666 347261916 /nfs/dbraw/zinc/26/19/16/347261916.db2.gz RFKLMVUISSQAOU-MJBXVCDLSA-N 1 2 272.348 2.450 20 30 CEEDLO CN(Cc1cn2ccccc2[nH+]1)[C@H]1CCC[C@H]1C#N ZINC000602976909 347262026 /nfs/dbraw/zinc/26/20/26/347262026.db2.gz VHAHIWLXTUZICZ-JSGCOSHPSA-N 1 2 254.337 2.458 20 30 CEEDLO COC(=O)c1oc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1C ZINC000602976878 347262056 /nfs/dbraw/zinc/26/20/56/347262056.db2.gz UVFLNOFASSQXDG-WCQYABFASA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1oc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1C ZINC000602976878 347262058 /nfs/dbraw/zinc/26/20/58/347262058.db2.gz UVFLNOFASSQXDG-WCQYABFASA-N 1 2 276.336 2.499 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(C#N)nnc2ccccc21 ZINC000085920281 179199254 /nfs/dbraw/zinc/19/92/54/179199254.db2.gz JLSNDTMBEKESTM-NSHDSACASA-N 1 2 278.319 2.199 20 30 CEEDLO N#Cc1ccccc1N1CCN(c2cc[nH+]cc2F)CC1 ZINC000603285852 347328440 /nfs/dbraw/zinc/32/84/40/347328440.db2.gz XSNTVDGYTUFISG-UHFFFAOYSA-N 1 2 282.322 2.419 20 30 CEEDLO N#CC1(c2ccccn2)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603370828 347351579 /nfs/dbraw/zinc/35/15/79/347351579.db2.gz MTRGFHSMQZCQPE-UHFFFAOYSA-N 1 2 294.358 2.031 20 30 CEEDLO N#CC1(Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CC1 ZINC000603227903 347315654 /nfs/dbraw/zinc/31/56/54/347315654.db2.gz SYHWAVDRTGGPPU-UHFFFAOYSA-N 1 2 285.326 2.011 20 30 CEEDLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000604492817 347418228 /nfs/dbraw/zinc/41/82/28/347418228.db2.gz YDJPTIDBSIUWOK-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000604492817 347418230 /nfs/dbraw/zinc/41/82/30/347418230.db2.gz YDJPTIDBSIUWOK-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO N#CCc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000609030462 347624952 /nfs/dbraw/zinc/62/49/52/347624952.db2.gz LTWKMYLEEPWFOV-UHFFFAOYSA-N 1 2 293.326 2.051 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000609486499 347640226 /nfs/dbraw/zinc/64/02/26/347640226.db2.gz LJFVMRFXPBSSPC-MRXNPFEDSA-N 1 2 275.371 2.491 20 30 CEEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(C#N)c1 ZINC000610580290 347693613 /nfs/dbraw/zinc/69/36/13/347693613.db2.gz ORWQGAFOXODDEP-IAQYHMDHSA-N 1 2 272.348 2.408 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000611396260 347773578 /nfs/dbraw/zinc/77/35/78/347773578.db2.gz OCXSCYUFYIBCSR-GFCCVEGCSA-N 1 2 297.362 2.194 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008651 347732171 /nfs/dbraw/zinc/73/21/71/347732171.db2.gz FYSYEZNDRBVQIL-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c[nH]nc2C1 ZINC000611008651 347732174 /nfs/dbraw/zinc/73/21/74/347732174.db2.gz FYSYEZNDRBVQIL-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008651 347732175 /nfs/dbraw/zinc/73/21/75/347732175.db2.gz FYSYEZNDRBVQIL-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000611008651 347732178 /nfs/dbraw/zinc/73/21/78/347732178.db2.gz FYSYEZNDRBVQIL-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179502 347748782 /nfs/dbraw/zinc/74/87/82/347748782.db2.gz DIEOCIIHADFOAQ-SECBINFHSA-N 1 2 285.319 2.145 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179502 347748784 /nfs/dbraw/zinc/74/87/84/347748784.db2.gz DIEOCIIHADFOAQ-SECBINFHSA-N 1 2 285.319 2.145 20 30 CEEDLO N#CCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000103469873 185843462 /nfs/dbraw/zinc/84/34/62/185843462.db2.gz SICHWAMYSYDPTM-UHFFFAOYSA-N 1 2 272.352 2.186 20 30 CEEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000612377771 347877100 /nfs/dbraw/zinc/87/71/00/347877100.db2.gz SBOFVCZLAQZPEY-INIZCTEOSA-N 1 2 297.362 2.170 20 30 CEEDLO COc1cc(C[NH2+]CC(C)(C)C#N)c([N+](=O)[O-])cc1OC ZINC000612585266 347904558 /nfs/dbraw/zinc/90/45/58/347904558.db2.gz UEGMTMFXLWKNJO-UHFFFAOYSA-N 1 2 293.323 2.251 20 30 CEEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCCn1cc[nH+]c1 ZINC000612654989 347913049 /nfs/dbraw/zinc/91/30/49/347913049.db2.gz YGNYDKNLOYAJHW-UHFFFAOYSA-N 1 2 299.284 2.115 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000130403745 365953039 /nfs/dbraw/zinc/95/30/39/365953039.db2.gz WEJQWCPNPDOZKO-CQSZACIVSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000130403745 365953042 /nfs/dbraw/zinc/95/30/42/365953042.db2.gz WEJQWCPNPDOZKO-CQSZACIVSA-N 1 2 260.337 2.178 20 30 CEEDLO N#CC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235968 348165338 /nfs/dbraw/zinc/16/53/38/348165338.db2.gz RZBLVTPODPPKKJ-ZDUSSCGKSA-N 1 2 254.337 2.272 20 30 CEEDLO N#CC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235968 348165340 /nfs/dbraw/zinc/16/53/40/348165340.db2.gz RZBLVTPODPPKKJ-ZDUSSCGKSA-N 1 2 254.337 2.272 20 30 CEEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614605595 348222053 /nfs/dbraw/zinc/22/20/53/348222053.db2.gz NNNFLKZRKLGIOQ-INIZCTEOSA-N 1 2 285.391 2.309 20 30 CEEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614605595 348222055 /nfs/dbraw/zinc/22/20/55/348222055.db2.gz NNNFLKZRKLGIOQ-INIZCTEOSA-N 1 2 285.391 2.309 20 30 CEEDLO C=C(CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000614867701 348248076 /nfs/dbraw/zinc/24/80/76/348248076.db2.gz QIYNDNQSSFJPFW-AWEZNQCLSA-N 1 2 281.359 2.344 20 30 CEEDLO C=C(CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000614867701 348248080 /nfs/dbraw/zinc/24/80/80/348248080.db2.gz QIYNDNQSSFJPFW-AWEZNQCLSA-N 1 2 281.359 2.344 20 30 CEEDLO C=C[C@@](C)(O)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000615557128 348347721 /nfs/dbraw/zinc/34/77/21/348347721.db2.gz FLHVOFUQKJLVQO-MRXNPFEDSA-N 1 2 285.347 2.176 20 30 CEEDLO N#C[C@@]1(F)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000615583618 348352528 /nfs/dbraw/zinc/35/25/28/348352528.db2.gz VJBJAYZWTNGRNN-INIZCTEOSA-N 1 2 298.321 2.009 20 30 CEEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC000616772704 348573054 /nfs/dbraw/zinc/57/30/54/348573054.db2.gz WQMFTJHEVCQLPH-INIZCTEOSA-N 1 2 271.360 2.456 20 30 CEEDLO COC(=O)[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC000616772704 348573057 /nfs/dbraw/zinc/57/30/57/348573057.db2.gz WQMFTJHEVCQLPH-INIZCTEOSA-N 1 2 271.360 2.456 20 30 CEEDLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000088589657 179631921 /nfs/dbraw/zinc/63/19/21/179631921.db2.gz WABJGASENJGFCC-LLVKDONJSA-N 1 2 255.325 2.020 20 30 CEEDLO N#Cc1cccc(C[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000339579455 215255882 /nfs/dbraw/zinc/25/58/82/215255882.db2.gz APKYIXKXNAZQHF-UHFFFAOYSA-N 1 2 289.342 2.429 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCCC(C)(C)C#N ZINC000619513002 349192342 /nfs/dbraw/zinc/19/23/42/349192342.db2.gz DUWGJXCHGBZMGQ-RYUDHWBXSA-N 1 2 270.348 2.292 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCCC(C)(C)C#N ZINC000619513002 349192345 /nfs/dbraw/zinc/19/23/45/349192345.db2.gz DUWGJXCHGBZMGQ-RYUDHWBXSA-N 1 2 270.348 2.292 20 30 CEEDLO C=C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000619699612 349220631 /nfs/dbraw/zinc/22/06/31/349220631.db2.gz BIKMNHIQNRDNDS-ZFWWWQNUSA-N 1 2 259.349 2.424 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000619717613 349227328 /nfs/dbraw/zinc/22/73/28/349227328.db2.gz UTFBVIVLMKFGHL-JSGCOSHPSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000619717613 349227330 /nfs/dbraw/zinc/22/73/30/349227330.db2.gz UTFBVIVLMKFGHL-JSGCOSHPSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000619722200 349228755 /nfs/dbraw/zinc/22/87/55/349228755.db2.gz WPIMORONNFOMRZ-GFCCVEGCSA-N 1 2 267.369 2.138 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000619722200 349228758 /nfs/dbraw/zinc/22/87/58/349228758.db2.gz WPIMORONNFOMRZ-GFCCVEGCSA-N 1 2 267.369 2.138 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000619720380 349228999 /nfs/dbraw/zinc/22/89/99/349228999.db2.gz FWFBIWFRJWORMQ-UONOGXRCSA-N 1 2 279.311 2.006 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000619720380 349229002 /nfs/dbraw/zinc/22/90/02/349229002.db2.gz FWFBIWFRJWORMQ-UONOGXRCSA-N 1 2 279.311 2.006 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000620302330 349337568 /nfs/dbraw/zinc/33/75/68/349337568.db2.gz YUGZQJMAKZYBDG-XJFOESAGSA-N 1 2 271.364 2.233 20 30 CEEDLO C=CCCOCC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000620193785 349316897 /nfs/dbraw/zinc/31/68/97/349316897.db2.gz FXWMZEBODQKKGF-UHFFFAOYSA-N 1 2 291.395 2.137 20 30 CEEDLO COCCCOCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000091101896 180098289 /nfs/dbraw/zinc/09/82/89/180098289.db2.gz SRXWVUXEXFCXOZ-UHFFFAOYSA-N 1 2 280.343 2.182 20 30 CEEDLO COCCCOCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000091101896 180098291 /nfs/dbraw/zinc/09/82/91/180098291.db2.gz SRXWVUXEXFCXOZ-UHFFFAOYSA-N 1 2 280.343 2.182 20 30 CEEDLO C=CC[C@H]1CCN(C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000624107942 350196162 /nfs/dbraw/zinc/19/61/62/350196162.db2.gz BZPUNTMSDXEAFV-LBPRGKRZSA-N 1 2 275.352 2.198 20 30 CEEDLO C=CC[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC)C1 ZINC000624150516 350210216 /nfs/dbraw/zinc/21/02/16/350210216.db2.gz LWMNIVLNAJAFDN-LBPRGKRZSA-N 1 2 262.357 2.011 20 30 CEEDLO Cc1cc(N2CCC(=O)CC(C)(C)C2)c(C#N)c[nH+]1 ZINC000624529956 350308067 /nfs/dbraw/zinc/30/80/67/350308067.db2.gz VYVFOEUVSUTXGY-UHFFFAOYSA-N 1 2 257.337 2.457 20 30 CEEDLO Cc1ncc(C[NH2+]C[C@H](C)C#N)n1-c1ccccc1 ZINC000092129024 180330118 /nfs/dbraw/zinc/33/01/18/180330118.db2.gz LOQYHIZLCKLPFF-GFCCVEGCSA-N 1 2 254.337 2.430 20 30 CEEDLO Cc1[nH+]cc(CNC[C@H](C)C#N)n1-c1ccccc1 ZINC000092129024 180330119 /nfs/dbraw/zinc/33/01/19/180330119.db2.gz LOQYHIZLCKLPFF-GFCCVEGCSA-N 1 2 254.337 2.430 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000106239917 186104896 /nfs/dbraw/zinc/10/48/96/186104896.db2.gz HSAGEUZUXWSHJK-NWDGAFQWSA-N 1 2 279.409 2.383 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361478 180367896 /nfs/dbraw/zinc/36/78/96/180367896.db2.gz HXGQPSGPDCSIKU-INIZCTEOSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361478 180367899 /nfs/dbraw/zinc/36/78/99/180367899.db2.gz HXGQPSGPDCSIKU-INIZCTEOSA-N 1 2 293.432 2.479 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625449356 350502397 /nfs/dbraw/zinc/50/23/97/350502397.db2.gz BBZXEYVUBVOHFY-UHFFFAOYSA-N 1 2 268.719 2.373 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000625449356 350502401 /nfs/dbraw/zinc/50/24/01/350502401.db2.gz BBZXEYVUBVOHFY-UHFFFAOYSA-N 1 2 268.719 2.373 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000107578893 186181219 /nfs/dbraw/zinc/18/12/19/186181219.db2.gz JIXIOPFPKBMQOO-CYBMUJFWSA-N 1 2 281.319 2.044 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCN(C)C(=O)C2(C)C)c1 ZINC000130579643 365969609 /nfs/dbraw/zinc/96/96/09/365969609.db2.gz RNALSHYXRITLIN-UHFFFAOYSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)c1 ZINC000130579643 365969613 /nfs/dbraw/zinc/96/96/13/365969613.db2.gz RNALSHYXRITLIN-UHFFFAOYSA-N 1 2 288.391 2.304 20 30 CEEDLO Cc1csc(=O)n1CC[N@H+](CCC#N)CC(C)(C)C ZINC000109813047 186275967 /nfs/dbraw/zinc/27/59/67/186275967.db2.gz MSIQBWGFKSDILM-UHFFFAOYSA-N 1 2 281.425 2.480 20 30 CEEDLO Cc1csc(=O)n1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000109813047 186275968 /nfs/dbraw/zinc/27/59/68/186275968.db2.gz MSIQBWGFKSDILM-UHFFFAOYSA-N 1 2 281.425 2.480 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000681485584 539804454 /nfs/dbraw/zinc/80/44/54/539804454.db2.gz TUDDGMBKCJPOAY-BLLLJJGKSA-N 1 2 284.359 2.299 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000681485584 539804456 /nfs/dbraw/zinc/80/44/56/539804456.db2.gz TUDDGMBKCJPOAY-BLLLJJGKSA-N 1 2 284.359 2.299 20 30 CEEDLO C=CC(C)(C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000628312217 351057370 /nfs/dbraw/zinc/05/73/70/351057370.db2.gz TTYMPJOSNXKTGZ-GFCCVEGCSA-N 1 2 261.369 2.164 20 30 CEEDLO N#Cc1ccc(C[NH+]2CC(O)(c3ccccc3)C2)s1 ZINC000291500836 198039092 /nfs/dbraw/zinc/03/90/92/198039092.db2.gz HLZMRNOKWICVRZ-UHFFFAOYSA-N 1 2 270.357 2.323 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1sccc1C#N ZINC000131501663 366059636 /nfs/dbraw/zinc/05/96/36/366059636.db2.gz DHZPVTYWNONYQN-UHFFFAOYSA-N 1 2 259.290 2.276 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2csc(C)n2)C1=O ZINC000337199488 366071830 /nfs/dbraw/zinc/07/18/30/366071830.db2.gz DPRPBTVTJQEJLR-KGLIPLIRSA-N 1 2 291.420 2.375 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2csc(C)n2)C1=O ZINC000337199488 366071834 /nfs/dbraw/zinc/07/18/34/366071834.db2.gz DPRPBTVTJQEJLR-KGLIPLIRSA-N 1 2 291.420 2.375 20 30 CEEDLO N#Cc1c(COCc2[nH]cc[nH+]2)cn2ccccc12 ZINC000123744374 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/nfs/dbraw/zinc/15/49/99/365154999.db2.gz KOODXVAQZSIINV-YOEHRIQHSA-N 1 2 296.374 2.217 20 30 CEEDLO C#CCCC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000275515970 193063237 /nfs/dbraw/zinc/06/32/37/193063237.db2.gz YKPPGWHLWGUUCP-CYBMUJFWSA-N 1 2 277.389 2.435 20 30 CEEDLO C#CCCC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000275515970 193063239 /nfs/dbraw/zinc/06/32/39/193063239.db2.gz YKPPGWHLWGUUCP-CYBMUJFWSA-N 1 2 277.389 2.435 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1cccs1 ZINC000582189051 366876600 /nfs/dbraw/zinc/87/66/00/366876600.db2.gz DQBYJLLDEMZOES-QWRGUYRKSA-N 1 2 265.382 2.207 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000583266366 367024084 /nfs/dbraw/zinc/02/40/84/367024084.db2.gz HSADFNLAYDADAS-KDOFPFPSSA-N 1 2 299.418 2.142 20 30 CEEDLO C#CCCN1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000161182462 367065229 /nfs/dbraw/zinc/06/52/29/367065229.db2.gz MWEQPTDQEUAIDD-UHFFFAOYSA-N 1 2 284.403 2.209 20 30 CEEDLO C[C@H]1CC[N@H+](CCC#N)C[C@H]1C(=O)OC(C)(C)C 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C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342629328 367458689 /nfs/dbraw/zinc/45/86/89/367458689.db2.gz DYDNSKDZTHIKRQ-ZDUSSCGKSA-N 1 2 262.353 2.301 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342629328 367458694 /nfs/dbraw/zinc/45/86/94/367458694.db2.gz DYDNSKDZTHIKRQ-ZDUSSCGKSA-N 1 2 262.353 2.301 20 30 CEEDLO C=CC[C@H](C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000172321725 367717972 /nfs/dbraw/zinc/71/79/72/367717972.db2.gz SFFCKLOTLYPHNK-NSHDSACASA-N 1 2 257.337 2.426 20 30 CEEDLO CC#CCCCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343370130 367775598 /nfs/dbraw/zinc/77/55/98/367775598.db2.gz QJWQOHLHBZUTGH-UHFFFAOYSA-N 1 2 282.347 2.459 20 30 CEEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)CC2 ZINC000343566542 367888846 /nfs/dbraw/zinc/88/88/46/367888846.db2.gz TWOQKNJDZHWLRF-UHFFFAOYSA-N 1 2 270.332 2.135 20 30 CEEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC1(C#N)CC1)CC2 ZINC000343566542 367888849 /nfs/dbraw/zinc/88/88/49/367888849.db2.gz TWOQKNJDZHWLRF-UHFFFAOYSA-N 1 2 270.332 2.135 20 30 CEEDLO COCc1nc(C[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000343577551 367895998 /nfs/dbraw/zinc/89/59/98/367895998.db2.gz CQGPQJCTTHGGNL-UHFFFAOYSA-N 1 2 273.361 2.451 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000343814095 368018236 /nfs/dbraw/zinc/01/82/36/368018236.db2.gz SGQQMRVFHXFQLW-LBPRGKRZSA-N 1 2 264.373 2.306 20 30 CEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177024731 368258375 /nfs/dbraw/zinc/25/83/75/368258375.db2.gz CWSJOUFYRVYBBK-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177024731 368258377 /nfs/dbraw/zinc/25/83/77/368258377.db2.gz CWSJOUFYRVYBBK-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000181264656 368438119 /nfs/dbraw/zinc/43/81/19/368438119.db2.gz KITLNUZBOXXHFJ-UHFFFAOYSA-N 1 2 282.413 2.282 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000181264656 368438124 /nfs/dbraw/zinc/43/81/24/368438124.db2.gz KITLNUZBOXXHFJ-UHFFFAOYSA-N 1 2 282.413 2.282 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000633965614 368476349 /nfs/dbraw/zinc/47/63/49/368476349.db2.gz XGMJSLRBBFSZSU-UHFFFAOYSA-N 1 2 294.439 2.350 20 30 CEEDLO CCC(=O)c1cccc(C#N)c1OCc1c[nH+]cn1C ZINC000634554153 368712911 /nfs/dbraw/zinc/71/29/11/368712911.db2.gz QWJITEHGYCVJFU-UHFFFAOYSA-N 1 2 269.304 2.463 20 30 CEEDLO C=C(Br)C[NH2+][C@@H](CCO)c1ccco1 ZINC000185100286 368747436 /nfs/dbraw/zinc/74/74/36/368747436.db2.gz RDRCMRHFHSIJKN-VIFPVBQESA-N 1 2 260.131 2.201 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCCc1ccccc1 ZINC000185370213 368798730 /nfs/dbraw/zinc/79/87/30/368798730.db2.gz SBCNGBGQEXXVAO-UHFFFAOYSA-N 1 2 291.395 2.213 20 30 CEEDLO CCOCCN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186281985 368950912 /nfs/dbraw/zinc/95/09/12/368950912.db2.gz HCRDKHONDUIUCQ-HNNXBMFYSA-N 1 2 287.407 2.273 20 30 CEEDLO CCOC(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186354450 368961301 /nfs/dbraw/zinc/96/13/01/368961301.db2.gz OEZAPHXXQUIGSP-ZDUSSCGKSA-N 1 2 287.363 2.393 20 30 CEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cn(-c2ccccc2)nn1 ZINC000348533492 369073623 /nfs/dbraw/zinc/07/36/23/369073623.db2.gz KUHNIUIWSUGRCU-LBPRGKRZSA-N 1 2 267.336 2.222 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1C ZINC000348631848 369105497 /nfs/dbraw/zinc/10/54/97/369105497.db2.gz FYOCUDMKYSPICG-UHFFFAOYSA-N 1 2 275.352 2.382 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c[nH]nc1C ZINC000348631848 369105499 /nfs/dbraw/zinc/10/54/99/369105499.db2.gz FYOCUDMKYSPICG-UHFFFAOYSA-N 1 2 275.352 2.382 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000191109989 369678852 /nfs/dbraw/zinc/67/88/52/369678852.db2.gz DGOHXEOIOSWYDT-MRXNPFEDSA-N 1 2 288.391 2.141 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000191109989 369678856 /nfs/dbraw/zinc/67/88/56/369678856.db2.gz DGOHXEOIOSWYDT-MRXNPFEDSA-N 1 2 288.391 2.141 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191138357 369684062 /nfs/dbraw/zinc/68/40/62/369684062.db2.gz SFSFLLKHTWVSKG-NSHDSACASA-N 1 2 297.424 2.221 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191138357 369684065 /nfs/dbraw/zinc/68/40/65/369684065.db2.gz SFSFLLKHTWVSKG-NSHDSACASA-N 1 2 297.424 2.221 20 30 CEEDLO CCn1nccc1C[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000352368069 369693002 /nfs/dbraw/zinc/69/30/02/369693002.db2.gz DTTPBPMCOMERIL-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO CCn1nccc1C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000352368069 369693005 /nfs/dbraw/zinc/69/30/05/369693005.db2.gz DTTPBPMCOMERIL-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO Cn1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1C#N ZINC000276596700 193395098 /nfs/dbraw/zinc/39/50/98/193395098.db2.gz FJWNTZJLJDQGNK-UHFFFAOYSA-N 1 2 289.408 2.336 20 30 CEEDLO COc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352843170 369909014 /nfs/dbraw/zinc/90/90/14/369909014.db2.gz YCFOKTUGVMEQFP-UHFFFAOYSA-N 1 2 259.334 2.313 20 30 CEEDLO N#Cc1csc(C[NH2+][C@@H]2CCc3c2cccc3O)n1 ZINC000352836743 369903438 /nfs/dbraw/zinc/90/34/38/369903438.db2.gz XGUMPGKKHRYHDC-GFCCVEGCSA-N 1 2 271.345 2.497 20 30 CEEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000353045107 369999618 /nfs/dbraw/zinc/99/96/18/369999618.db2.gz HDNAABRIQMVPTQ-ZDUSSCGKSA-N 1 2 256.309 2.126 20 30 CEEDLO Cn1c2ccc(C[N@H+](C)CC(C)(C)C#N)cc2oc1=O ZINC000354009049 370177321 /nfs/dbraw/zinc/17/73/21/370177321.db2.gz HGMADTVEJUWLOY-UHFFFAOYSA-N 1 2 273.336 2.113 20 30 CEEDLO Cn1c2ccc(C[N@@H+](C)CC(C)(C)C#N)cc2oc1=O ZINC000354009049 370177324 /nfs/dbraw/zinc/17/73/24/370177324.db2.gz HGMADTVEJUWLOY-UHFFFAOYSA-N 1 2 273.336 2.113 20 30 CEEDLO COc1cccc(C(F)(F)C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000353972111 370158597 /nfs/dbraw/zinc/15/85/97/370158597.db2.gz MRACHHSRBTVPBB-MNOVXSKESA-N 1 2 281.306 2.464 20 30 CEEDLO Cc1cn2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2[nH+]1 ZINC000359172388 371363491 /nfs/dbraw/zinc/36/34/91/371363491.db2.gz SKMAGJVTINRUQZ-UHFFFAOYSA-N 1 2 265.276 2.095 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1C ZINC000249864958 371366662 /nfs/dbraw/zinc/36/66/62/371366662.db2.gz HMSLSWVWAPWDCK-DZGCQCFKSA-N 1 2 287.407 2.481 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1C ZINC000249864958 371366667 /nfs/dbraw/zinc/36/66/67/371366667.db2.gz HMSLSWVWAPWDCK-DZGCQCFKSA-N 1 2 287.407 2.481 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)C[C@H](C)C#N ZINC000250230088 371381090 /nfs/dbraw/zinc/38/10/90/371381090.db2.gz IVFSAMPDWCVNES-VXGBXAGGSA-N 1 2 279.409 2.407 20 30 CEEDLO CC[N@H+](CC(=O)N[C@H](C)c1cccs1)C[C@H](C)C#N ZINC000250230088 371381096 /nfs/dbraw/zinc/38/10/96/371381096.db2.gz IVFSAMPDWCVNES-VXGBXAGGSA-N 1 2 279.409 2.407 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000359998569 371498071 /nfs/dbraw/zinc/49/80/71/371498071.db2.gz DQAGHSPZVYFDFT-OLZOCXBDSA-N 1 2 282.347 2.063 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255416616 371587058 /nfs/dbraw/zinc/58/70/58/371587058.db2.gz GLFGZPQUWHRBGM-SREVYHEPSA-N 1 2 294.358 2.317 20 30 CEEDLO Cc1ccnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344100405 217049302 /nfs/dbraw/zinc/04/93/02/217049302.db2.gz BVTZXFDSYUHHLD-UHFFFAOYSA-N 1 2 296.374 2.305 20 30 CEEDLO Cc1ccnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344100405 217049305 /nfs/dbraw/zinc/04/93/05/217049305.db2.gz BVTZXFDSYUHHLD-UHFFFAOYSA-N 1 2 296.374 2.305 20 30 CEEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361748544 372052549 /nfs/dbraw/zinc/05/25/49/372052549.db2.gz BHJQXXGMKIAWGM-IAQYHMDHSA-N 1 2 290.338 2.471 20 30 CEEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361748544 372052554 /nfs/dbraw/zinc/05/25/54/372052554.db2.gz BHJQXXGMKIAWGM-IAQYHMDHSA-N 1 2 290.338 2.471 20 30 CEEDLO Cc1nnc([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC000361829820 372088813 /nfs/dbraw/zinc/08/88/13/372088813.db2.gz ITIPSJBLPOBPIK-INIZCTEOSA-N 1 2 280.375 2.344 20 30 CEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC000361829820 372088823 /nfs/dbraw/zinc/08/88/23/372088823.db2.gz ITIPSJBLPOBPIK-INIZCTEOSA-N 1 2 280.375 2.344 20 30 CEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC000361829820 372088826 /nfs/dbraw/zinc/08/88/26/372088826.db2.gz ITIPSJBLPOBPIK-INIZCTEOSA-N 1 2 280.375 2.344 20 30 CEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000361829820 372088831 /nfs/dbraw/zinc/08/88/31/372088831.db2.gz ITIPSJBLPOBPIK-INIZCTEOSA-N 1 2 280.375 2.344 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000268953925 372300061 /nfs/dbraw/zinc/30/00/61/372300061.db2.gz JGAHDFLJTDENNA-UHFFFAOYSA-N 1 2 285.307 2.189 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1cccc(F)c1C#N ZINC000268985948 372307113 /nfs/dbraw/zinc/30/71/13/372307113.db2.gz SQYCSDIBHOTJCO-UHFFFAOYSA-N 1 2 258.300 2.420 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000268984313 372307340 /nfs/dbraw/zinc/30/73/40/372307340.db2.gz QALOOTDUWSRHTF-UHFFFAOYSA-N 1 2 277.274 2.470 20 30 CEEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000268984313 372307344 /nfs/dbraw/zinc/30/73/44/372307344.db2.gz QALOOTDUWSRHTF-UHFFFAOYSA-N 1 2 277.274 2.470 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCc3ccccc3C2)nn1 ZINC000641128014 372328850 /nfs/dbraw/zinc/32/88/50/372328850.db2.gz GOVNFCJNJUHUIE-OAHLLOKOSA-N 1 2 294.402 2.196 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCCC[C@H]2C)nn1 ZINC000641087314 372303443 /nfs/dbraw/zinc/30/34/43/372303443.db2.gz CRUUAACQAJGLRC-ZIAGYGMSSA-N 1 2 260.385 2.217 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](CC)CC(F)F)nn1 ZINC000641182290 372373004 /nfs/dbraw/zinc/37/30/04/372373004.db2.gz MOJPOZWLSNPAFU-NSHDSACASA-N 1 2 270.327 2.072 20 30 CEEDLO N#CCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367137950 227360947 /nfs/dbraw/zinc/36/09/47/227360947.db2.gz DZXZABSGINARGR-HNNXBMFYSA-N 1 2 255.321 2.235 20 30 CEEDLO N#CCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367137950 227360952 /nfs/dbraw/zinc/36/09/52/227360952.db2.gz DZXZABSGINARGR-HNNXBMFYSA-N 1 2 255.321 2.235 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000269864340 372583694 /nfs/dbraw/zinc/58/36/94/372583694.db2.gz KIXWSAKOAWOFDD-CYBMUJFWSA-N 1 2 265.320 2.039 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)OCC ZINC000270100616 372666024 /nfs/dbraw/zinc/66/60/24/372666024.db2.gz QLJHCBNREBUTMG-CQSZACIVSA-N 1 2 291.395 2.487 20 30 CEEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000365692840 372915442 /nfs/dbraw/zinc/91/54/42/372915442.db2.gz VMJAPORDQIJWID-IRXDYDNUSA-N 1 2 297.402 2.379 20 30 CEEDLO CN(C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000365692840 372915450 /nfs/dbraw/zinc/91/54/50/372915450.db2.gz VMJAPORDQIJWID-IRXDYDNUSA-N 1 2 297.402 2.379 20 30 CEEDLO COCC[N@H+](CCC#N)[C@@H]1CCCc2cccnc21 ZINC000368999569 373309544 /nfs/dbraw/zinc/30/95/44/373309544.db2.gz FMAQCRQTKCICEW-CQSZACIVSA-N 1 2 259.353 2.321 20 30 CEEDLO COCC[N@@H+](CCC#N)[C@@H]1CCCc2cccnc21 ZINC000368999569 373309554 /nfs/dbraw/zinc/30/95/54/373309554.db2.gz FMAQCRQTKCICEW-CQSZACIVSA-N 1 2 259.353 2.321 20 30 CEEDLO C#CCCCCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272575273 373558333 /nfs/dbraw/zinc/55/83/33/373558333.db2.gz DHKCMOBNFDSDSL-ZDUSSCGKSA-N 1 2 277.368 2.197 20 30 CEEDLO C#CCCCCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272575273 373558339 /nfs/dbraw/zinc/55/83/39/373558339.db2.gz DHKCMOBNFDSDSL-ZDUSSCGKSA-N 1 2 277.368 2.197 20 30 CEEDLO C#CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000274129727 373820584 /nfs/dbraw/zinc/82/05/84/373820584.db2.gz IBKWPPMQVNCIAD-UHFFFAOYSA-N 1 2 288.303 2.059 20 30 CEEDLO C#CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000274129727 373820589 /nfs/dbraw/zinc/82/05/89/373820589.db2.gz IBKWPPMQVNCIAD-UHFFFAOYSA-N 1 2 288.303 2.059 20 30 CEEDLO CC#CC[C@@H](CO)Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000645407408 374037583 /nfs/dbraw/zinc/03/75/83/374037583.db2.gz VFRSEGNMKRZROE-NSHDSACASA-N 1 2 298.321 2.436 20 30 CEEDLO C#C[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000274789861 374050055 /nfs/dbraw/zinc/05/00/55/374050055.db2.gz YCRGBEBDTYZLOE-LLVKDONJSA-N 1 2 292.408 2.272 20 30 CEEDLO CN(Cc1cc(C#N)n(C)c1)Cc1cn2c([nH+]1)CCCC2 ZINC000373026394 374247561 /nfs/dbraw/zinc/24/75/61/374247561.db2.gz MTUSUSRBROWFLC-UHFFFAOYSA-N 1 2 283.379 2.062 20 30 CEEDLO Cn1cc(C[N@H+](C)Cc2cn3c(n2)CCCC3)cc1C#N ZINC000373026394 374247568 /nfs/dbraw/zinc/24/75/68/374247568.db2.gz MTUSUSRBROWFLC-UHFFFAOYSA-N 1 2 283.379 2.062 20 30 CEEDLO Cn1cc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)cc1C#N ZINC000373026394 374247573 /nfs/dbraw/zinc/24/75/73/374247573.db2.gz MTUSUSRBROWFLC-UHFFFAOYSA-N 1 2 283.379 2.062 20 30 CEEDLO C=Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000373210712 374294219 /nfs/dbraw/zinc/29/42/19/374294219.db2.gz QCWRLLFPVWVPFL-KRWDZBQOSA-N 1 2 294.358 2.429 20 30 CEEDLO C=Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000373210712 374294225 /nfs/dbraw/zinc/29/42/25/374294225.db2.gz QCWRLLFPVWVPFL-KRWDZBQOSA-N 1 2 294.358 2.429 20 30 CEEDLO Cn1cc(C[NH2+][C@@H]2COc3cccc(F)c32)cc1C#N ZINC000373621425 374393605 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BDFDBYKCWPPRIN-UHFFFAOYSA-N 1 2 253.349 2.364 20 30 CEEDLO C#CC[N@@H+](Cc1cn(-c2ccccc2C)nn1)C1CC1 ZINC000289767500 395086308 /nfs/dbraw/zinc/08/63/08/395086308.db2.gz QSUWZWNDPCJCOR-UHFFFAOYSA-N 1 2 266.348 2.173 20 30 CEEDLO C#CC[N@H+](Cc1cn(-c2ccccc2C)nn1)C1CC1 ZINC000289767500 395086310 /nfs/dbraw/zinc/08/63/10/395086310.db2.gz QSUWZWNDPCJCOR-UHFFFAOYSA-N 1 2 266.348 2.173 20 30 CEEDLO C#CCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287334605 395038123 /nfs/dbraw/zinc/03/81/23/395038123.db2.gz KQUCPRBJQUFYGB-QWHCGFSZSA-N 1 2 275.352 2.471 20 30 CEEDLO C#CCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287334605 395038127 /nfs/dbraw/zinc/03/81/27/395038127.db2.gz KQUCPRBJQUFYGB-QWHCGFSZSA-N 1 2 275.352 2.471 20 30 CEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343554684 395041512 /nfs/dbraw/zinc/04/15/12/395041512.db2.gz QWVLLQJKCBZAJU-VPZZIHKRSA-N 1 2 276.405 2.094 20 30 CEEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343554684 395041516 /nfs/dbraw/zinc/04/15/16/395041516.db2.gz QWVLLQJKCBZAJU-VPZZIHKRSA-N 1 2 276.405 2.094 20 30 CEEDLO C[C@@H]1CCC[C@H](C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000376151040 395110470 /nfs/dbraw/zinc/11/04/70/395110470.db2.gz PSRSKWFRDJZJMB-YCPHGPKFSA-N 1 2 261.413 2.485 20 30 CEEDLO C[C@@H]1CCC[C@H](C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000376151040 395110474 /nfs/dbraw/zinc/11/04/74/395110474.db2.gz PSRSKWFRDJZJMB-YCPHGPKFSA-N 1 2 261.413 2.485 20 30 CEEDLO N#CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177029172 395145344 /nfs/dbraw/zinc/14/53/44/395145344.db2.gz USVYUESAPVXGAV-UHFFFAOYSA-N 1 2 286.291 2.472 20 30 CEEDLO CCCn1cc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348712100 395149755 /nfs/dbraw/zinc/14/97/55/395149755.db2.gz HOOITPQXGDQQIN-UHFFFAOYSA-N 1 2 250.321 2.121 20 30 CEEDLO Cc1ccc2ncc(C[NH+]3CCC(F)(C#N)CC3)n2c1 ZINC000348710625 395150265 /nfs/dbraw/zinc/15/02/65/395150265.db2.gz OYTGSRGAVKKITR-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO Cc1ccc2[nH+]cc(CN3CCC(F)(C#N)CC3)n2c1 ZINC000348710625 395150266 /nfs/dbraw/zinc/15/02/66/395150266.db2.gz OYTGSRGAVKKITR-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)Cc1ccccc1 ZINC000178721941 395173906 /nfs/dbraw/zinc/17/39/06/395173906.db2.gz GKQGKVOUZDLGIH-GOSISDBHSA-N 1 2 295.386 2.401 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)Cc1ccccc1 ZINC000178721941 395173910 /nfs/dbraw/zinc/17/39/10/395173910.db2.gz GKQGKVOUZDLGIH-GOSISDBHSA-N 1 2 295.386 2.401 20 30 CEEDLO C=C(Br)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293502618 395238032 /nfs/dbraw/zinc/23/80/32/395238032.db2.gz ZTGNETMVPNMYBX-ZDUSSCGKSA-N 1 2 284.197 2.430 20 30 CEEDLO C=C(Br)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293502618 395238039 /nfs/dbraw/zinc/23/80/39/395238039.db2.gz ZTGNETMVPNMYBX-ZDUSSCGKSA-N 1 2 284.197 2.430 20 30 CEEDLO CCC[C@H](C(=O)OCC)[NH+]1CCC(F)(C#N)CC1 ZINC000352441733 395254005 /nfs/dbraw/zinc/25/40/05/395254005.db2.gz BWZIMCSOIKNWED-LLVKDONJSA-N 1 2 256.321 2.046 20 30 CEEDLO C=CCOCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000293776006 395250495 /nfs/dbraw/zinc/25/04/95/395250495.db2.gz LKKXDCTXDSSISN-CQSZACIVSA-N 1 2 263.337 2.035 20 30 CEEDLO C=CCOCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000293776006 395250496 /nfs/dbraw/zinc/25/04/96/395250496.db2.gz LKKXDCTXDSSISN-CQSZACIVSA-N 1 2 263.337 2.035 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000351179143 395192914 /nfs/dbraw/zinc/19/29/14/395192914.db2.gz DDYGIPOMGGASPK-LSDHHAIUSA-N 1 2 272.396 2.452 20 30 CEEDLO C[S@](=O)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000183115939 395251216 /nfs/dbraw/zinc/25/12/16/395251216.db2.gz KSODPMNNXUCREF-AGKSTNPPSA-N 1 2 289.404 2.139 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+][C@H](CC)CC#N)nc1 ZINC000519654681 395203821 /nfs/dbraw/zinc/20/38/21/395203821.db2.gz URXSYEZTAVHAGR-GFCCVEGCSA-N 1 2 261.325 2.040 20 30 CEEDLO CO[C@H](C)CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000181559967 395219182 /nfs/dbraw/zinc/21/91/82/395219182.db2.gz ZXUJFQAQSIKHOP-MRVPVSSYSA-N 1 2 276.258 2.377 20 30 CEEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C(F)(F)F)cc1C#N ZINC000528194412 395286555 /nfs/dbraw/zinc/28/65/55/395286555.db2.gz ANBGBYMYOQVTII-LBPRGKRZSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C(F)(F)F)cc1C#N ZINC000528194412 395286558 /nfs/dbraw/zinc/28/65/58/395286558.db2.gz ANBGBYMYOQVTII-LBPRGKRZSA-N 1 2 299.296 2.320 20 30 CEEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000186230775 395287379 /nfs/dbraw/zinc/28/73/79/395287379.db2.gz PBVDKDVWSMAJHO-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000186230775 395287384 /nfs/dbraw/zinc/28/73/84/395287384.db2.gz PBVDKDVWSMAJHO-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO C/C(Cl)=C\C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000528446317 395289944 /nfs/dbraw/zinc/28/99/44/395289944.db2.gz AKBZDBLQCGHDDS-LFYBBSHMSA-N 1 2 276.771 2.218 20 30 CEEDLO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1COC1 ZINC000295523170 395296195 /nfs/dbraw/zinc/29/61/95/395296195.db2.gz UVNFBNOHTVUEAE-UHFFFAOYSA-N 1 2 298.346 2.217 20 30 CEEDLO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1COC1 ZINC000295523170 395296197 /nfs/dbraw/zinc/29/61/97/395296197.db2.gz UVNFBNOHTVUEAE-UHFFFAOYSA-N 1 2 298.346 2.217 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484663 395260704 /nfs/dbraw/zinc/26/07/04/395260704.db2.gz RXCBCNYNPKZFPP-ZIAGYGMSSA-N 1 2 295.402 2.494 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1 ZINC000355216067 395369750 /nfs/dbraw/zinc/36/97/50/395369750.db2.gz IXCKROLYJXBCHP-UHFFFAOYSA-N 1 2 289.342 2.429 20 30 CEEDLO N#Cc1ccc(CN(C(=O)CCc2c[nH+]c[nH]2)C2CC2)cc1 ZINC000192572557 395387262 /nfs/dbraw/zinc/38/72/62/395387262.db2.gz JPMGPLXRHZXARI-UHFFFAOYSA-N 1 2 294.358 2.405 20 30 CEEDLO N#Cc1ccc(CN(C(=O)CCc2c[nH]c[nH+]2)C2CC2)cc1 ZINC000192572557 395387264 /nfs/dbraw/zinc/38/72/64/395387264.db2.gz JPMGPLXRHZXARI-UHFFFAOYSA-N 1 2 294.358 2.405 20 30 CEEDLO C=C(CC)CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411592663 395332218 /nfs/dbraw/zinc/33/22/18/395332218.db2.gz SWJBFQOHGJJSOO-UHFFFAOYSA-N 1 2 275.352 2.028 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000411877329 395340799 /nfs/dbraw/zinc/34/07/99/395340799.db2.gz RYMVOEIVQVJAEG-UHIISALHSA-N 1 2 294.424 2.237 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000436077980 395407019 /nfs/dbraw/zinc/40/70/19/395407019.db2.gz WTZAXKGOYSVUFX-UHFFFAOYSA-N 1 2 294.314 2.080 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000573502479 395609669 /nfs/dbraw/zinc/60/96/69/395609669.db2.gz BEBVJSONMFNBBR-SNVBAGLBSA-N 1 2 250.298 2.157 20 30 CEEDLO Cc1c(C[N@H+](C)Cc2cn3ccccc3c2C#N)cnn1C ZINC000573653887 395613311 /nfs/dbraw/zinc/61/33/11/395613311.db2.gz ADWXTRCNNUMBGD-UHFFFAOYSA-N 1 2 293.374 2.485 20 30 CEEDLO Cc1c(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cnn1C ZINC000573653887 395613314 /nfs/dbraw/zinc/61/33/14/395613314.db2.gz ADWXTRCNNUMBGD-UHFFFAOYSA-N 1 2 293.374 2.485 20 30 CEEDLO COc1ncc(C[NH2+]Cc2nc(C#N)cs2)cc1Cl ZINC000449462883 395549912 /nfs/dbraw/zinc/54/99/12/395549912.db2.gz VKOAEWMWHOUCIL-UHFFFAOYSA-N 1 2 294.767 2.362 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C)S(C)(=O)=O ZINC000450276707 395570570 /nfs/dbraw/zinc/57/05/70/395570570.db2.gz JPACWVJFNCVKMY-ZDUSSCGKSA-N 1 2 297.420 2.116 20 30 CEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C)S(C)(=O)=O ZINC000450276707 395570571 /nfs/dbraw/zinc/57/05/71/395570571.db2.gz JPACWVJFNCVKMY-ZDUSSCGKSA-N 1 2 297.420 2.116 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1nccc(C#N)c1Cl ZINC000450836754 395578943 /nfs/dbraw/zinc/57/89/43/395578943.db2.gz ZIZHLVCDRBRZGF-VIFPVBQESA-N 1 2 275.743 2.418 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)ccn12 ZINC000570410104 395581981 /nfs/dbraw/zinc/58/19/81/395581981.db2.gz FACUOCPDUCSVFO-JSGCOSHPSA-N 1 2 282.347 2.455 20 30 CEEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000649123559 396069793 /nfs/dbraw/zinc/06/97/93/396069793.db2.gz AQYMPMNNWJXPDZ-OAHLLOKOSA-N 1 2 292.423 2.056 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000649354620 396127117 /nfs/dbraw/zinc/12/71/17/396127117.db2.gz PGURSMMHOBUQLH-CYBMUJFWSA-N 1 2 253.292 2.260 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000649354620 396127121 /nfs/dbraw/zinc/12/71/21/396127121.db2.gz PGURSMMHOBUQLH-CYBMUJFWSA-N 1 2 253.292 2.260 20 30 CEEDLO C=CCC[C@H](CO)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000649529777 396179341 /nfs/dbraw/zinc/17/93/41/396179341.db2.gz VOXDIEGEVDEBDY-CYBMUJFWSA-N 1 2 272.348 2.404 20 30 CEEDLO CN(Cc1[nH+]ccn1C)Cc1cccc(C#N)c1F ZINC000223569036 153317555 /nfs/dbraw/zinc/31/75/55/153317555.db2.gz LEZIBYQPLGXCMY-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO Cc1cccc2nc(C[NH2+]Cc3cc(C#N)n(C)c3)[nH]c21 ZINC000359692346 155114078 /nfs/dbraw/zinc/11/40/78/155114078.db2.gz XWOBSXVDGOESOS-UHFFFAOYSA-N 1 2 279.347 2.371 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccnc1C#N ZINC000368179790 156300607 /nfs/dbraw/zinc/30/06/07/156300607.db2.gz XLDXQMRSNFEYGV-UHFFFAOYSA-N 1 2 267.336 2.122 20 30 CEEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCCCNC1=O ZINC000368406900 156339213 /nfs/dbraw/zinc/33/92/13/156339213.db2.gz ILLSBUVAVJTERE-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCCCNC1=O ZINC000368406900 156339221 /nfs/dbraw/zinc/33/92/21/156339221.db2.gz ILLSBUVAVJTERE-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)ccc1F ZINC000285236651 196228714 /nfs/dbraw/zinc/22/87/14/196228714.db2.gz GISDECJESLCWAT-INIZCTEOSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)ccc1F ZINC000285236651 196228716 /nfs/dbraw/zinc/22/87/16/196228716.db2.gz GISDECJESLCWAT-INIZCTEOSA-N 1 2 290.338 2.079 20 30 CEEDLO N#CCCOCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000339024911 262584338 /nfs/dbraw/zinc/58/43/38/262584338.db2.gz XQHXJXYVBXTQOD-UHFFFAOYSA-N 1 2 266.291 2.253 20 30 CEEDLO N#CCCOCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000339024911 262584341 /nfs/dbraw/zinc/58/43/41/262584341.db2.gz XQHXJXYVBXTQOD-UHFFFAOYSA-N 1 2 266.291 2.253 20 30 CEEDLO C=C[C@H](C)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654883913 415050169 /nfs/dbraw/zinc/05/01/69/415050169.db2.gz SHHNBMWUSHTWJK-DTWKUNHWSA-N 1 2 275.274 2.147 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)nn1 ZINC000657814520 415093588 /nfs/dbraw/zinc/09/35/88/415093588.db2.gz CMBUUBMUQAPLNL-XJKSGUPXSA-N 1 2 286.379 2.066 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1F)[C@@H](C)COC ZINC000661243332 415153916 /nfs/dbraw/zinc/15/39/16/415153916.db2.gz JCXDIIBLWXGJGK-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)[C@@H](C)COC ZINC000661243332 415153919 /nfs/dbraw/zinc/15/39/19/415153919.db2.gz JCXDIIBLWXGJGK-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000661151003 415112404 /nfs/dbraw/zinc/11/24/04/415112404.db2.gz WGROWXIOIJIKGX-CQSZACIVSA-N 1 2 299.374 2.453 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000661151003 415112408 /nfs/dbraw/zinc/11/24/08/415112408.db2.gz WGROWXIOIJIKGX-CQSZACIVSA-N 1 2 299.374 2.453 20 30 CEEDLO C=CCOCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000661293614 415184963 /nfs/dbraw/zinc/18/49/63/415184963.db2.gz YNGBCSZHEOZCIY-UHFFFAOYSA-N 1 2 277.368 2.090 20 30 CEEDLO C=CCC[C@@H](CCC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658157504 415234009 /nfs/dbraw/zinc/23/40/09/415234009.db2.gz BQDYQTWMFKZGDR-LLVKDONJSA-N 1 2 252.362 2.176 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661659571 415389285 /nfs/dbraw/zinc/38/92/85/415389285.db2.gz BGOVGTCXQUNRKR-AWEZNQCLSA-N 1 2 292.354 2.273 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661659571 415389289 /nfs/dbraw/zinc/38/92/89/415389289.db2.gz BGOVGTCXQUNRKR-AWEZNQCLSA-N 1 2 292.354 2.273 20 30 CEEDLO C=CCOCCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980781 415543032 /nfs/dbraw/zinc/54/30/32/415543032.db2.gz PVEALKRNJZQNGX-UHFFFAOYSA-N 1 2 273.336 2.499 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000071140365 176038534 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C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](F)C1 ZINC000451202009 331020280 /nfs/dbraw/zinc/02/02/80/331020280.db2.gz WEGHFLFFGWYCLC-MYMJJRTCSA-N 1 2 295.402 2.350 20 30 CEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](F)C1 ZINC000451202009 331020281 /nfs/dbraw/zinc/02/02/81/331020281.db2.gz WEGHFLFFGWYCLC-MYMJJRTCSA-N 1 2 295.402 2.350 20 30 CEEDLO C=CC(C)(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000451742188 331040853 /nfs/dbraw/zinc/04/08/53/331040853.db2.gz AXXFPXITQNYSBH-UHFFFAOYSA-N 1 2 270.336 2.477 20 30 CEEDLO C=CCOc1cccnc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452330813 331062455 /nfs/dbraw/zinc/06/24/55/331062455.db2.gz BCXGOZYRPRNNDG-UHFFFAOYSA-N 1 2 298.346 2.432 20 30 CEEDLO C=C(CC)CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000455532050 331172526 /nfs/dbraw/zinc/17/25/26/331172526.db2.gz IVUVYVPGKUPNMZ-UHFFFAOYSA-N 1 2 272.352 2.408 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459127406 331270834 /nfs/dbraw/zinc/27/08/34/331270834.db2.gz XNYOOFIXQVSAJE-VXGBXAGGSA-N 1 2 262.357 2.497 20 30 CEEDLO CC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@@H](C)C#N ZINC000459327068 331276384 /nfs/dbraw/zinc/27/63/84/331276384.db2.gz NUHXPSTVBQFVNR-JTQLQIEISA-N 1 2 260.341 2.041 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000489502208 332057039 /nfs/dbraw/zinc/05/70/39/332057039.db2.gz XUMJPAFFQIZWHN-CYBMUJFWSA-N 1 2 269.352 2.203 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000489502208 332057040 /nfs/dbraw/zinc/05/70/40/332057040.db2.gz XUMJPAFFQIZWHN-CYBMUJFWSA-N 1 2 269.352 2.203 20 30 CEEDLO C#CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000490866750 332122207 /nfs/dbraw/zinc/12/22/07/332122207.db2.gz SWVPDTGRNGEFIG-INIZCTEOSA-N 1 2 296.374 2.174 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000491072857 332146970 /nfs/dbraw/zinc/14/69/70/332146970.db2.gz VVKJYCHWFZBCPR-UHFFFAOYSA-N 1 2 272.377 2.444 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000491072857 332146972 /nfs/dbraw/zinc/14/69/72/332146972.db2.gz VVKJYCHWFZBCPR-UHFFFAOYSA-N 1 2 272.377 2.444 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCCN2CCOC2=O)c(O)c1 ZINC000491086107 332147412 /nfs/dbraw/zinc/14/74/12/332147412.db2.gz INJMWMHYWLGAHM-WJDWOHSUSA-N 1 2 292.335 2.052 20 30 CEEDLO C#CCNC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000491104484 332150339 /nfs/dbraw/zinc/15/03/39/332150339.db2.gz SWXMIIRRXFJOFK-UHFFFAOYSA-N 1 2 296.374 2.366 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CC)cn2)n1 ZINC000491202785 332164972 /nfs/dbraw/zinc/16/49/72/332164972.db2.gz PXMRTXFMHSBSAQ-UHFFFAOYSA-N 1 2 282.391 2.496 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CC)cn2)n1 ZINC000491202785 332164973 /nfs/dbraw/zinc/16/49/73/332164973.db2.gz PXMRTXFMHSBSAQ-UHFFFAOYSA-N 1 2 282.391 2.496 20 30 CEEDLO C#CC[N@@H+](Cc1cc(C)nn1C)Cc1ccccc1 ZINC000491338707 332192678 /nfs/dbraw/zinc/19/26/78/332192678.db2.gz KRXBYRSUYGDKBA-UHFFFAOYSA-N 1 2 253.349 2.364 20 30 CEEDLO C#CC[N@H+](Cc1cc(C)nn1C)Cc1ccccc1 ZINC000491338707 332192679 /nfs/dbraw/zinc/19/26/79/332192679.db2.gz KRXBYRSUYGDKBA-UHFFFAOYSA-N 1 2 253.349 2.364 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000491395036 332204063 /nfs/dbraw/zinc/20/40/63/332204063.db2.gz QIERKOVWOLQBBO-HUUCEWRRSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000491395036 332204064 /nfs/dbraw/zinc/20/40/64/332204064.db2.gz QIERKOVWOLQBBO-HUUCEWRRSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000491617766 332244594 /nfs/dbraw/zinc/24/45/94/332244594.db2.gz KWYNMOHAZHSKIV-AWEZNQCLSA-N 1 2 298.390 2.446 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491640420 332260321 /nfs/dbraw/zinc/26/03/21/332260321.db2.gz YOEWEEONPXWKMK-MRXNPFEDSA-N 1 2 296.374 2.142 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491656998 332268615 /nfs/dbraw/zinc/26/86/15/332268615.db2.gz FNQJTVWOOSCFQV-CYBMUJFWSA-N 1 2 274.368 2.101 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000491679905 332283730 /nfs/dbraw/zinc/28/37/30/332283730.db2.gz GTJYBIGTMDUDCU-UHFFFAOYSA-N 1 2 294.424 2.163 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000491679905 332283731 /nfs/dbraw/zinc/28/37/31/332283731.db2.gz GTJYBIGTMDUDCU-UHFFFAOYSA-N 1 2 294.424 2.163 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1nccc(N)n1 ZINC000491682919 332285585 /nfs/dbraw/zinc/28/55/85/332285585.db2.gz VRDFFRNHZCNRGS-CYBMUJFWSA-N 1 2 266.348 2.086 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1nccc(N)n1 ZINC000491682919 332285586 /nfs/dbraw/zinc/28/55/86/332285586.db2.gz VRDFFRNHZCNRGS-CYBMUJFWSA-N 1 2 266.348 2.086 20 30 CEEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000491750087 332326752 /nfs/dbraw/zinc/32/67/52/332326752.db2.gz ULTGRLXUAMPCKL-CVEARBPZSA-N 1 2 282.387 2.129 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000491808630 332361669 /nfs/dbraw/zinc/36/16/69/332361669.db2.gz WNHMWCXDZIZNKW-GFCCVEGCSA-N 1 2 287.388 2.194 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000491808630 332361670 /nfs/dbraw/zinc/36/16/70/332361670.db2.gz WNHMWCXDZIZNKW-GFCCVEGCSA-N 1 2 287.388 2.194 20 30 CEEDLO Cc1cc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1F ZINC000493360920 332436999 /nfs/dbraw/zinc/43/69/99/332436999.db2.gz AMRJLKYKMIDHCY-IOBAAEILSA-N 1 2 289.354 2.107 20 30 CEEDLO C#CC[N@@H+](CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000088506926 333089593 /nfs/dbraw/zinc/08/95/93/333089593.db2.gz FZGFLOAMMDCQOA-OAHLLOKOSA-N 1 2 283.437 2.079 20 30 CEEDLO C#CC[N@H+](CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000088506926 333089594 /nfs/dbraw/zinc/08/95/94/333089594.db2.gz FZGFLOAMMDCQOA-OAHLLOKOSA-N 1 2 283.437 2.079 20 30 CEEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1nnnn1C)c1ccc(F)c(F)c1 ZINC000190009978 333201583 /nfs/dbraw/zinc/20/15/83/333201583.db2.gz RBIOMIYMUVNQCO-ZANVPECISA-N 1 2 293.321 2.456 20 30 CEEDLO Cc1oc2ccccc2c1C[NH+]1CC(O)(CC#N)C1 ZINC000191913036 333227107 /nfs/dbraw/zinc/22/71/07/333227107.db2.gz YEYZCKFOAQQDBB-UHFFFAOYSA-N 1 2 256.305 2.202 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000576169895 335164108 /nfs/dbraw/zinc/16/41/08/335164108.db2.gz VQNZPSDUXIONHB-CMPLNLGQSA-N 1 2 288.351 2.377 20 30 CEEDLO Cn1ncc(Cl)c1CNc1cc(CC#N)cc[nH+]1 ZINC000548031766 334135914 /nfs/dbraw/zinc/13/59/14/334135914.db2.gz JMJAFCFAJXHBKR-UHFFFAOYSA-N 1 2 261.716 2.147 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000548788360 334174096 /nfs/dbraw/zinc/17/40/96/334174096.db2.gz NWRSKEFTORCKDT-NSHDSACASA-N 1 2 289.310 2.225 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611790 334199464 /nfs/dbraw/zinc/19/94/64/334199464.db2.gz GPTIHNZWAHXJHB-BNOWGMLFSA-N 1 2 267.336 2.176 20 30 CEEDLO C=CCCCN(C)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000249310006 334331964 /nfs/dbraw/zinc/33/19/64/334331964.db2.gz NVFCVUJRVIERGQ-AWEZNQCLSA-N 1 2 290.411 2.230 20 30 CEEDLO C=CCCCN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000249310006 334331966 /nfs/dbraw/zinc/33/19/66/334331966.db2.gz NVFCVUJRVIERGQ-AWEZNQCLSA-N 1 2 290.411 2.230 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)s1 ZINC000564870489 334525399 /nfs/dbraw/zinc/52/53/99/334525399.db2.gz CLFOGZZSWHWKFT-CYBMUJFWSA-N 1 2 299.827 2.294 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000565607326 334579383 /nfs/dbraw/zinc/57/93/83/334579383.db2.gz OAFSLYPMXCRZJD-ZDUSSCGKSA-N 1 2 273.336 2.110 20 30 CEEDLO C=CCN1C(=O)c2ccccc2N[C@H]1c1c[nH+]cn1C ZINC000158997176 334817938 /nfs/dbraw/zinc/81/79/38/334817938.db2.gz IWWKUMAUJYXIQW-CQSZACIVSA-N 1 2 268.320 2.173 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC1(C#N)CC1 ZINC000577170984 335314502 /nfs/dbraw/zinc/31/45/02/335314502.db2.gz FHAGRBDWAQZHRP-UHFFFAOYSA-N 1 2 282.347 2.019 20 30 CEEDLO CC1=C(C)C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000577283435 335335352 /nfs/dbraw/zinc/33/53/52/335335352.db2.gz XFQFYUBXTUTOOU-UKRRQHHQSA-N 1 2 263.385 2.083 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC000577708069 335390910 /nfs/dbraw/zinc/39/09/10/335390910.db2.gz NWJYRRWZRHROFP-HNNXBMFYSA-N 1 2 269.348 2.187 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000578639646 335657503 /nfs/dbraw/zinc/65/75/03/335657503.db2.gz DHYXNPXVDDEPFF-YPMHNXCESA-N 1 2 270.336 2.167 20 30 CEEDLO C=C(Br)C[N@@H+](CCO)Cc1ccccc1 ZINC000050515278 518581160 /nfs/dbraw/zinc/58/11/60/518581160.db2.gz FNAOGLRAIIGIPU-UHFFFAOYSA-N 1 2 270.170 2.390 20 30 CEEDLO C=C(Br)C[N@H+](CCO)Cc1ccccc1 ZINC000050515278 518581171 /nfs/dbraw/zinc/58/11/71/518581171.db2.gz FNAOGLRAIIGIPU-UHFFFAOYSA-N 1 2 270.170 2.390 20 30 CEEDLO C#CCC(C)(C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000183799403 518243714 /nfs/dbraw/zinc/24/37/14/518243714.db2.gz BJYFZQBMDHSEED-UHFFFAOYSA-N 1 2 269.348 2.308 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1OC ZINC000183022872 520159544 /nfs/dbraw/zinc/15/95/44/520159544.db2.gz XAXIJGXNZVURSA-UHFFFAOYSA-N 1 2 289.379 2.044 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1OC ZINC000183022872 520159555 /nfs/dbraw/zinc/15/95/55/520159555.db2.gz XAXIJGXNZVURSA-UHFFFAOYSA-N 1 2 289.379 2.044 20 30 CEEDLO CCOC(=O)C[N@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000049572901 520763161 /nfs/dbraw/zinc/76/31/61/520763161.db2.gz BMEUPSCLNWFQQJ-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO CCOC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000049572901 520763165 /nfs/dbraw/zinc/76/31/65/520763165.db2.gz BMEUPSCLNWFQQJ-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO CCC[N@H+](CCOc1ccccc1C#N)CC(=O)OCC ZINC000067409278 521669167 /nfs/dbraw/zinc/66/91/67/521669167.db2.gz RTHNXYVHCWFXQX-UHFFFAOYSA-N 1 2 290.363 2.212 20 30 CEEDLO CCC[N@@H+](CCOc1ccccc1C#N)CC(=O)OCC ZINC000067409278 521669168 /nfs/dbraw/zinc/66/91/68/521669168.db2.gz RTHNXYVHCWFXQX-UHFFFAOYSA-N 1 2 290.363 2.212 20 30 CEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000061591096 524010167 /nfs/dbraw/zinc/01/01/67/524010167.db2.gz MRJIVUGSNKJEFL-SNVBAGLBSA-N 1 2 263.297 2.337 20 30 CEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000061591096 524010169 /nfs/dbraw/zinc/01/01/69/524010169.db2.gz MRJIVUGSNKJEFL-SNVBAGLBSA-N 1 2 263.297 2.337 20 30 CEEDLO Cc1cccc(NC(=O)C[N@H+](C)CCCC#N)c1C ZINC000067129905 524590846 /nfs/dbraw/zinc/59/08/46/524590846.db2.gz XACJAQLQOIGOAW-UHFFFAOYSA-N 1 2 259.353 2.478 20 30 CEEDLO Cc1cccc(NC(=O)C[N@@H+](C)CCCC#N)c1C ZINC000067129905 524590854 /nfs/dbraw/zinc/59/08/54/524590854.db2.gz XACJAQLQOIGOAW-UHFFFAOYSA-N 1 2 259.353 2.478 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000366569889 524615235 /nfs/dbraw/zinc/61/52/35/524615235.db2.gz IIBOOISOYWSVIJ-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000366569889 524615243 /nfs/dbraw/zinc/61/52/43/524615243.db2.gz IIBOOISOYWSVIJ-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000114757288 526980049 /nfs/dbraw/zinc/98/00/49/526980049.db2.gz CZFLOAMNXSOCMQ-UHFFFAOYSA-N 1 2 291.420 2.040 20 30 CEEDLO C=CCSCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353343066 526997747 /nfs/dbraw/zinc/99/77/47/526997747.db2.gz CCBLKTLDTIRFDO-UHFFFAOYSA-N 1 2 276.365 2.375 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C(C)C ZINC000366844327 527402685 /nfs/dbraw/zinc/40/26/85/527402685.db2.gz IZXIDKXSOSWHQL-CABCVRRESA-N 1 2 285.391 2.072 20 30 CEEDLO CCC[C@@H]1C[C@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000330347063 527840487 /nfs/dbraw/zinc/84/04/87/527840487.db2.gz HIFSPNZBMKOLQZ-FRRDWIJNSA-N 1 2 276.384 2.312 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352003724 528849366 /nfs/dbraw/zinc/84/93/66/528849366.db2.gz AFGDDGNUBPTYJB-DGCLKSJQSA-N 1 2 287.354 2.018 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352003724 528849368 /nfs/dbraw/zinc/84/93/68/528849368.db2.gz AFGDDGNUBPTYJB-DGCLKSJQSA-N 1 2 287.354 2.018 20 30 CEEDLO CC[N@H+](Cc1cn(C)nn1)[C@@H](C)c1cccc(C#N)c1 ZINC000442895472 528869234 /nfs/dbraw/zinc/86/92/34/528869234.db2.gz DYCVLGIRNOWRSY-LBPRGKRZSA-N 1 2 269.352 2.270 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nn1)[C@@H](C)c1cccc(C#N)c1 ZINC000442895472 528869237 /nfs/dbraw/zinc/86/92/37/528869237.db2.gz DYCVLGIRNOWRSY-LBPRGKRZSA-N 1 2 269.352 2.270 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354089042 529347616 /nfs/dbraw/zinc/34/76/16/529347616.db2.gz WPDUFAGFLWPKLN-DZGCQCFKSA-N 1 2 273.336 2.001 20 30 CEEDLO CCn1cc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)cn1 ZINC000191712159 536092035 /nfs/dbraw/zinc/09/20/35/536092035.db2.gz ZKBIOOXYMDPRSY-KRWDZBQOSA-N 1 2 296.374 2.348 20 30 CEEDLO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)cn1 ZINC000191712159 536092037 /nfs/dbraw/zinc/09/20/37/536092037.db2.gz ZKBIOOXYMDPRSY-KRWDZBQOSA-N 1 2 296.374 2.348 20 30 CEEDLO COc1cccc(O)c1/C=[NH+]/CCCc1cnn(C)c1 ZINC000726739938 574429598 /nfs/dbraw/zinc/42/95/98/574429598.db2.gz MQCIXSAYSNDAOY-MHWRWJLKSA-N 1 2 273.336 2.186 20 30 CEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(OC)cc1 ZINC000750921819 574461559 /nfs/dbraw/zinc/46/15/59/574461559.db2.gz LHTDKOVMFZJPLO-UHFFFAOYSA-N 1 2 288.307 2.041 20 30 CEEDLO COCC#CC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000611194830 574486766 /nfs/dbraw/zinc/48/67/66/574486766.db2.gz SYPAUKHXQXISFK-SJORKVTESA-N 1 2 268.360 2.408 20 30 CEEDLO COCC#CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000611194830 574486769 /nfs/dbraw/zinc/48/67/69/574486769.db2.gz SYPAUKHXQXISFK-SJORKVTESA-N 1 2 268.360 2.408 20 30 CEEDLO N#Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000729678816 574490427 /nfs/dbraw/zinc/49/04/27/574490427.db2.gz QFLSTFGFDRSMTG-UHFFFAOYSA-N 1 2 289.342 2.429 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000730104598 574501662 /nfs/dbraw/zinc/50/16/62/574501662.db2.gz UUSYKJLGNJIMBQ-LBPRGKRZSA-N 1 2 285.372 2.332 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000730104598 574501663 /nfs/dbraw/zinc/50/16/63/574501663.db2.gz UUSYKJLGNJIMBQ-LBPRGKRZSA-N 1 2 285.372 2.332 20 30 CEEDLO Cc1cc(N[NH+]=Cc2ccc(N(C)C)c(F)c2)ncn1 ZINC000731935023 574607171 /nfs/dbraw/zinc/60/71/71/574607171.db2.gz NWHBPVKVKZICNU-UHFFFAOYSA-N 1 2 273.315 2.436 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C)n2)c1 ZINC000736308937 574781935 /nfs/dbraw/zinc/78/19/35/574781935.db2.gz OIGJYUKOVOHSMG-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C)n2)c1 ZINC000736308937 574781936 /nfs/dbraw/zinc/78/19/36/574781936.db2.gz OIGJYUKOVOHSMG-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](CC)CC2)c1=S ZINC000738253107 574856119 /nfs/dbraw/zinc/85/61/19/574856119.db2.gz DMRNSXIBWPWYEU-LBPRGKRZSA-N 1 2 281.429 2.465 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](CC)CC2)c1=S ZINC000738253107 574856120 /nfs/dbraw/zinc/85/61/20/574856120.db2.gz DMRNSXIBWPWYEU-LBPRGKRZSA-N 1 2 281.429 2.465 20 30 CEEDLO C#CC[N@H+](CC#CC)CCOc1ccccc1C(C)=O ZINC000743855078 575111325 /nfs/dbraw/zinc/11/13/25/575111325.db2.gz YHGZPJSPMUAYNW-UHFFFAOYSA-N 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C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(CC)on2)C1 ZINC000970757537 613371792 /nfs/dbraw/zinc/37/17/92/613371792.db2.gz QYGNGIWPUMOLBG-SNVBAGLBSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncccc2F)C1 ZINC000970644641 613372005 /nfs/dbraw/zinc/37/20/05/613372005.db2.gz DOEJIYPTDKRYGJ-SNVBAGLBSA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cocn1 ZINC000968777433 613373011 /nfs/dbraw/zinc/37/30/11/613373011.db2.gz FKXRPXWUUNPADL-LBPRGKRZSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cocn1 ZINC000968777433 613373012 /nfs/dbraw/zinc/37/30/12/613373012.db2.gz FKXRPXWUUNPADL-LBPRGKRZSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000980882028 613373173 /nfs/dbraw/zinc/37/31/73/613373173.db2.gz VHWLHXZHSGJHOS-WAYWQWQTSA-N 1 2 268.788 2.239 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000980882028 613373174 /nfs/dbraw/zinc/37/31/74/613373174.db2.gz VHWLHXZHSGJHOS-WAYWQWQTSA-N 1 2 268.788 2.239 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000980728042 613373908 /nfs/dbraw/zinc/37/39/08/613373908.db2.gz VNATXRYYMGIFHJ-LLVKDONJSA-N 1 2 258.793 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000980728042 613373909 /nfs/dbraw/zinc/37/39/09/613373909.db2.gz VNATXRYYMGIFHJ-LLVKDONJSA-N 1 2 258.793 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cc[nH]c2C)CC1 ZINC000980933058 613373995 /nfs/dbraw/zinc/37/39/95/613373995.db2.gz UGZMKYXABHAWFP-UHFFFAOYSA-N 1 2 281.787 2.224 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cc[nH]c2C)CC1 ZINC000980933058 613373996 /nfs/dbraw/zinc/37/39/96/613373996.db2.gz UGZMKYXABHAWFP-UHFFFAOYSA-N 1 2 281.787 2.224 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000965901585 613375503 /nfs/dbraw/zinc/37/55/03/613375503.db2.gz VVIZJVGGEHDIQR-RISCZKNCSA-N 1 2 295.814 2.218 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC000965901585 613375504 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Cc1nn(C)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933772044 624001425 /nfs/dbraw/zinc/00/14/25/624001425.db2.gz XAXMXOCUEIDLGC-UHFFFAOYSA-N 1 2 260.366 2.294 20 30 CEEDLO Cc1nn(C)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933772044 624001426 /nfs/dbraw/zinc/00/14/26/624001426.db2.gz XAXMXOCUEIDLGC-UHFFFAOYSA-N 1 2 260.366 2.294 20 30 CEEDLO CCc1cc(NCCNc2ncccc2C#N)nc(CC)[nH+]1 ZINC000891994460 624237358 /nfs/dbraw/zinc/23/73/58/624237358.db2.gz BBJCHGQNUZFKRX-UHFFFAOYSA-N 1 2 296.378 2.392 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000934462926 624510394 /nfs/dbraw/zinc/51/03/94/624510394.db2.gz DXAPXTCEEBGXLD-ZDUSSCGKSA-N 1 2 283.368 2.250 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000934462926 624510398 /nfs/dbraw/zinc/51/03/98/624510398.db2.gz DXAPXTCEEBGXLD-ZDUSSCGKSA-N 1 2 283.368 2.250 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158917607 625041590 /nfs/dbraw/zinc/04/15/90/625041590.db2.gz XRHMFOCUOCTZNW-STQMWFEESA-N 1 2 284.400 2.177 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158917607 625041597 /nfs/dbraw/zinc/04/15/97/625041597.db2.gz XRHMFOCUOCTZNW-STQMWFEESA-N 1 2 284.400 2.177 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000287472017 625267937 /nfs/dbraw/zinc/26/79/37/625267937.db2.gz SLPSJCQEFXYSAV-HNNXBMFYSA-N 1 2 281.359 2.093 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000287472017 625267944 /nfs/dbraw/zinc/26/79/44/625267944.db2.gz SLPSJCQEFXYSAV-HNNXBMFYSA-N 1 2 281.359 2.093 20 30 CEEDLO CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C#N)c1O ZINC000926692519 625744125 /nfs/dbraw/zinc/74/41/25/625744125.db2.gz NJLXLPUUFZBGCW-SMDDNHRTSA-N 1 2 274.364 2.466 20 30 CEEDLO NC(Cc1ccccc1)=[NH+]OCc1cccc2c1OCCO2 ZINC000177558024 625769186 /nfs/dbraw/zinc/76/91/86/625769186.db2.gz VNGJSBKAFIYREJ-UHFFFAOYSA-N 1 2 298.342 2.489 20 30 CEEDLO CC1(C#N)CC[NH+](CN2CCN(C3CCCC3)C2=O)CC1 ZINC000902217669 634528836 /nfs/dbraw/zinc/52/88/36/634528836.db2.gz KFNPUPPERYRAKO-UHFFFAOYSA-N 1 2 290.411 2.250 20 30 CEEDLO CC(=O)NCCCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000902220895 634531203 /nfs/dbraw/zinc/53/12/03/634531203.db2.gz CAHTYWISFJNLBV-UHFFFAOYSA-N 1 2 295.358 2.077 20 30 CEEDLO CN(C)c1[nH+]cc(/C=C2/CCc3cc(O)ccc3C2=O)n1C ZINC000821038499 634611074 /nfs/dbraw/zinc/61/10/74/634611074.db2.gz IWZUTDQVIBTALU-WQLSENKSSA-N 1 2 297.358 2.404 20 30 CEEDLO Nc1ccc(/C=C2/S/C(=N/C3CCCC3)NC2=O)c[nH+]1 ZINC000821032125 634609278 /nfs/dbraw/zinc/60/92/78/634609278.db2.gz QWKMKGJSDRUSOL-YRNVUSSQSA-N 1 2 288.376 2.166 20 30 CEEDLO CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc(C#N)c1O ZINC000925548681 628191650 /nfs/dbraw/zinc/19/16/50/628191650.db2.gz HOJHTGYBIWMIAD-FYYVMTAXSA-N 1 2 294.420 2.462 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(C)n(C)n1 ZINC000840899757 628216862 /nfs/dbraw/zinc/21/68/62/628216862.db2.gz YRGDOCCZPGGIJN-UHFFFAOYSA-N 1 2 269.348 2.030 20 30 CEEDLO COC(=O)c1ccc(CO[NH+]=C(N)c2ccccc2)cc1 ZINC000192977371 628457452 /nfs/dbraw/zinc/45/74/52/628457452.db2.gz DLFAPJKUOZIFPE-UHFFFAOYSA-N 1 2 284.315 2.310 20 30 CEEDLO C=C[C@@H]1CCCCN1c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893552836 628735001 /nfs/dbraw/zinc/73/50/01/628735001.db2.gz ZQPCKTLATCGYOH-CHWSQXEVSA-N 1 2 276.384 2.204 20 30 CEEDLO C=C[C@@H]1CCCCN1c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893552836 628735004 /nfs/dbraw/zinc/73/50/04/628735004.db2.gz ZQPCKTLATCGYOH-CHWSQXEVSA-N 1 2 276.384 2.204 20 30 CEEDLO N#C[C@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000932158206 628979181 /nfs/dbraw/zinc/97/91/81/628979181.db2.gz AKZMPQIQQVFKJX-OAHLLOKOSA-N 1 2 274.364 2.318 20 30 CEEDLO N#C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000932158206 628979185 /nfs/dbraw/zinc/97/91/85/628979185.db2.gz AKZMPQIQQVFKJX-OAHLLOKOSA-N 1 2 274.364 2.318 20 30 CEEDLO Cc1ncoc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000893902141 629034978 /nfs/dbraw/zinc/03/49/78/629034978.db2.gz JANUGDBBUCLFHH-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO Cc1ncoc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000893902141 629034980 /nfs/dbraw/zinc/03/49/80/629034980.db2.gz JANUGDBBUCLFHH-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124007 629149822 /nfs/dbraw/zinc/14/98/22/629149822.db2.gz FBSNFNPPQUJSIV-XUJVJEKNSA-N 1 2 292.404 2.388 20 30 CEEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124007 629149824 /nfs/dbraw/zinc/14/98/24/629149824.db2.gz FBSNFNPPQUJSIV-XUJVJEKNSA-N 1 2 292.404 2.388 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894611339 629557630 /nfs/dbraw/zinc/55/76/30/629557630.db2.gz XIRUHCAIIPNTKN-MELADBBJSA-N 1 2 288.395 2.347 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894611339 629557633 /nfs/dbraw/zinc/55/76/33/629557633.db2.gz XIRUHCAIIPNTKN-MELADBBJSA-N 1 2 288.395 2.347 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cccc(Br)c1O ZINC000054181923 629876377 /nfs/dbraw/zinc/87/63/77/629876377.db2.gz TXZMMLAKAQTBEM-MRVPVSSYSA-N 1 2 269.142 2.404 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(F)(F)CC1 ZINC000796542577 629928071 /nfs/dbraw/zinc/92/80/71/629928071.db2.gz YJXPTYFXDNNAJF-DGCLKSJQSA-N 1 2 287.354 2.160 20 30 CEEDLO N#Cc1cccc(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895349733 630129301 /nfs/dbraw/zinc/12/93/01/630129301.db2.gz BWQJBXPDWOUOPB-UHFFFAOYSA-N 1 2 279.347 2.429 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OCC ZINC000895598659 630265362 /nfs/dbraw/zinc/26/53/62/630265362.db2.gz SMBOXFDGZRYQIT-SRVKXCTJSA-N 1 2 257.399 2.225 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OCC ZINC000895598660 630265529 /nfs/dbraw/zinc/26/55/29/630265529.db2.gz SMBOXFDGZRYQIT-WOPDTQHZSA-N 1 2 257.399 2.225 20 30 CEEDLO C#CC1(F)CN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000895616103 630274381 /nfs/dbraw/zinc/27/43/81/630274381.db2.gz RPUZEWSAYAAGKX-UHFFFAOYSA-N 1 2 255.296 2.029 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)NCc2cccc(C#N)c2)c[nH+]1 ZINC000895637054 630285229 /nfs/dbraw/zinc/28/52/29/630285229.db2.gz DFKLZIRNJHHRAD-UHFFFAOYSA-N 1 2 282.347 2.115 20 30 CEEDLO COCOc1ccc(OC)cc1C[NH2+]CC1(C#N)CC1 ZINC000797605606 630396512 /nfs/dbraw/zinc/39/65/12/630396512.db2.gz RXZDZHCUFBJIFE-UHFFFAOYSA-N 1 2 276.336 2.071 20 30 CEEDLO CCOC(=O)[C@H](C)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000895947911 630411219 /nfs/dbraw/zinc/41/12/19/630411219.db2.gz KGJCJAMSPGOYDB-CQSZACIVSA-N 1 2 271.360 2.169 20 30 CEEDLO Cc1noc(C)c1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902765613 634818052 /nfs/dbraw/zinc/81/80/52/634818052.db2.gz QUIYCNVVAYIWJU-SNVBAGLBSA-N 1 2 256.309 2.409 20 30 CEEDLO C[C@]1(Br)C[C@H]1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896502298 630583167 /nfs/dbraw/zinc/58/31/67/630583167.db2.gz WPKJHOTUNRHMCV-VWYCJHECSA-N 1 2 257.175 2.395 20 30 CEEDLO C[C@]1(Br)C[C@H]1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896502298 630583170 /nfs/dbraw/zinc/58/31/70/630583170.db2.gz WPKJHOTUNRHMCV-VWYCJHECSA-N 1 2 257.175 2.395 20 30 CEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000896505964 630585066 /nfs/dbraw/zinc/58/50/66/630585066.db2.gz QYGUTWFVIPZNPR-CQSZACIVSA-N 1 2 283.375 2.314 20 30 CEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000896505964 630585068 /nfs/dbraw/zinc/58/50/68/630585068.db2.gz QYGUTWFVIPZNPR-CQSZACIVSA-N 1 2 283.375 2.314 20 30 CEEDLO Cc1[nH]c(CNC(=O)C2(C#N)CCCCC2)[nH+]c1C ZINC000896924000 630816532 /nfs/dbraw/zinc/81/65/32/630816532.db2.gz RWQHYABOZYZJGI-UHFFFAOYSA-N 1 2 260.341 2.117 20 30 CEEDLO COCC[C@H](C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000840710893 630902793 /nfs/dbraw/zinc/90/27/93/630902793.db2.gz MUJGPMWCYRHEAF-KBVGCWLLSA-N 1 2 251.326 2.492 20 30 CEEDLO Cc1ccc([N+](=O)[O-])cc1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000799479385 631031081 /nfs/dbraw/zinc/03/10/81/631031081.db2.gz PERJODQDAMJHDK-CYBMUJFWSA-N 1 2 288.307 2.066 20 30 CEEDLO C#Cc1ccc(CN2CCc3c([nH+]cn3CC)C2)cc1 ZINC000897334171 631134793 /nfs/dbraw/zinc/13/47/93/631134793.db2.gz MOIFKAZRXRMLEF-UHFFFAOYSA-N 1 2 265.360 2.443 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801563863 631290224 /nfs/dbraw/zinc/29/02/24/631290224.db2.gz IEQXFDYQZQAXEY-ZDUSSCGKSA-N 1 2 266.291 2.219 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801563863 631290231 /nfs/dbraw/zinc/29/02/31/631290231.db2.gz IEQXFDYQZQAXEY-ZDUSSCGKSA-N 1 2 266.291 2.219 20 30 CEEDLO Cc1ccccc1[C@@H]1C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000801923207 631356462 /nfs/dbraw/zinc/35/64/62/631356462.db2.gz BDALBKDZYKBGTD-ZBFHGGJFSA-N 1 2 274.364 2.297 20 30 CEEDLO Cc1ccccc1[C@@H]1C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000801923207 631356465 /nfs/dbraw/zinc/35/64/65/631356465.db2.gz BDALBKDZYKBGTD-ZBFHGGJFSA-N 1 2 274.364 2.297 20 30 CEEDLO CCC1CCC([NH2+]CCO[C@@H](C)C#N)(C(=O)OC)CC1 ZINC000801933942 631360823 /nfs/dbraw/zinc/36/08/23/631360823.db2.gz FIGKIPYEHREAAA-OPFPJEHXSA-N 1 2 282.384 2.017 20 30 CEEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(C2CCCC2)C1=O)C(C)C ZINC000802724571 631448073 /nfs/dbraw/zinc/44/80/73/631448073.db2.gz DSXPDSKTGSDVAK-INIZCTEOSA-N 1 2 293.411 2.341 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(C2CCCC2)C1=O)C(C)C ZINC000802724571 631448074 /nfs/dbraw/zinc/44/80/74/631448074.db2.gz DSXPDSKTGSDVAK-INIZCTEOSA-N 1 2 293.411 2.341 20 30 CEEDLO C=CC[N@@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802738865 631451267 /nfs/dbraw/zinc/45/12/67/631451267.db2.gz QQZQMASWCMLVDM-UHFFFAOYSA-N 1 2 295.180 2.480 20 30 CEEDLO C=CC[N@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802738865 631451272 /nfs/dbraw/zinc/45/12/72/631451272.db2.gz QQZQMASWCMLVDM-UHFFFAOYSA-N 1 2 295.180 2.480 20 30 CEEDLO Cc1nn(C)cc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000842021429 631566570 /nfs/dbraw/zinc/56/65/70/631566570.db2.gz ACBDHZXLQCVDQN-UHFFFAOYSA-N 1 2 276.315 2.013 20 30 CEEDLO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)CC#N ZINC000809572744 632102969 /nfs/dbraw/zinc/10/29/69/632102969.db2.gz ROCYSGITXBYCDW-SNVBAGLBSA-N 1 2 261.350 2.003 20 30 CEEDLO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)CC#N ZINC000809572744 632102970 /nfs/dbraw/zinc/10/29/70/632102970.db2.gz ROCYSGITXBYCDW-SNVBAGLBSA-N 1 2 261.350 2.003 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898195839 632110268 /nfs/dbraw/zinc/11/02/68/632110268.db2.gz ZIDYVJHMJRLRLV-ZIAGYGMSSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898195839 632110272 /nfs/dbraw/zinc/11/02/72/632110272.db2.gz ZIDYVJHMJRLRLV-ZIAGYGMSSA-N 1 2 265.328 2.156 20 30 CEEDLO C#Cc1ccc(C[N@H+](CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000809736993 632134676 /nfs/dbraw/zinc/13/46/76/632134676.db2.gz AIVRMWDLZLBUQW-GOSISDBHSA-N 1 2 286.419 2.211 20 30 CEEDLO C#Cc1ccc(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000809736993 632134678 /nfs/dbraw/zinc/13/46/78/632134678.db2.gz AIVRMWDLZLBUQW-GOSISDBHSA-N 1 2 286.419 2.211 20 30 CEEDLO C#Cc1ccccc1CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000810558805 632228567 /nfs/dbraw/zinc/22/85/67/632228567.db2.gz GCYYITXWQWQARC-UHFFFAOYSA-N 1 2 289.338 2.175 20 30 CEEDLO S=C(N[NH+]=C1CC[C@@H]2CNc3cccc1c32)NC1CC1 ZINC000814734593 632889622 /nfs/dbraw/zinc/88/96/22/632889622.db2.gz NYNIZAMTGCXSNR-SECBINFHSA-N 1 2 286.404 2.320 20 30 CEEDLO CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(N)[nH+]c1 ZINC000814885461 632914503 /nfs/dbraw/zinc/91/45/03/632914503.db2.gz ASQWPXQJQRUJLV-UHFFFAOYSA-N 1 2 296.256 2.309 20 30 CEEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(Cl)c(N)c1 ZINC000814915256 632926407 /nfs/dbraw/zinc/92/64/07/632926407.db2.gz RTYUFLZGMJBFTO-UHFFFAOYSA-N 1 2 263.732 2.492 20 30 CEEDLO C=C1C[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000899900938 633086374 /nfs/dbraw/zinc/08/63/74/633086374.db2.gz YUUBCSZLLCJKHX-CYBMUJFWSA-N 1 2 271.282 2.481 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)CNc2cccc[nH+]2)C1 ZINC000900737489 633831355 /nfs/dbraw/zinc/83/13/55/633831355.db2.gz WRKLBBRMMQBUAK-IUODEOHRSA-N 1 2 272.352 2.082 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CNc2cccc[nH+]2)C1 ZINC000900737409 633831392 /nfs/dbraw/zinc/83/13/92/633831392.db2.gz WRKLBBRMMQBUAK-DOMZBBRYSA-N 1 2 272.352 2.082 20 30 CEEDLO CC(C)Oc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819410035 634172966 /nfs/dbraw/zinc/17/29/66/634172966.db2.gz PUJULQQQHNDGES-OAHLLOKOSA-N 1 2 291.395 2.092 20 30 CEEDLO CC(C)Oc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819410035 634172968 /nfs/dbraw/zinc/17/29/68/634172968.db2.gz PUJULQQQHNDGES-OAHLLOKOSA-N 1 2 291.395 2.092 20 30 CEEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)nn1C ZINC000901555631 634176431 /nfs/dbraw/zinc/17/64/31/634176431.db2.gz WYKIPQDRZNTCDD-AATRIKPKSA-N 1 2 258.325 2.402 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1cccc2oc(C)nc21)C(=O)OC ZINC000901593254 634191746 /nfs/dbraw/zinc/19/17/46/634191746.db2.gz CXKLQTRWJNDOMH-ZDUSSCGKSA-N 1 2 288.347 2.386 20 30 CEEDLO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902869387 634863647 /nfs/dbraw/zinc/86/36/47/634863647.db2.gz VHZHAWLLEHPIKF-WBMJQRKESA-N 1 2 297.358 2.346 20 30 CEEDLO C#CC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000824036543 635328477 /nfs/dbraw/zinc/32/84/77/635328477.db2.gz NTPAOEMPZLIHCY-UHFFFAOYSA-N 1 2 295.342 2.063 20 30 CEEDLO N#Cc1ccc(F)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000824855510 635512581 /nfs/dbraw/zinc/51/25/81/635512581.db2.gz MJEJBCXLCSIAOE-UHFFFAOYSA-N 1 2 298.321 2.371 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CC[C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000905002401 635773081 /nfs/dbraw/zinc/77/30/81/635773081.db2.gz NVIWCWDQXFWLAC-YXHQGMJNSA-N 1 2 290.363 2.078 20 30 CEEDLO N#C[C@]1(C(=O)NCCCn2cc[nH+]c2)CC2CCC1CC2 ZINC000905046980 635787477 /nfs/dbraw/zinc/78/74/77/635787477.db2.gz VKKVBLMUDHGROG-ZBCRRDGASA-N 1 2 286.379 2.109 20 30 CEEDLO N#C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000826937077 636166988 /nfs/dbraw/zinc/16/69/88/636166988.db2.gz IJTWUAOGNJFLCO-GJZGRUSLSA-N 1 2 294.358 2.350 20 30 CEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCSC1 ZINC000826990488 636180055 /nfs/dbraw/zinc/18/00/55/636180055.db2.gz HBGXZJUNOBJNIV-GFCCVEGCSA-N 1 2 269.410 2.016 20 30 CEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCSC1 ZINC000826990488 636180067 /nfs/dbraw/zinc/18/00/67/636180067.db2.gz HBGXZJUNOBJNIV-GFCCVEGCSA-N 1 2 269.410 2.016 20 30 CEEDLO Cn1nc2c(c1CNc1cc(CC#N)cc[nH+]1)CSCC2 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C=CC[C@@H]([NH2+]C[C@H](OC)C1CCCCC1)C(=O)OC ZINC000905774571 636459608 /nfs/dbraw/zinc/45/96/08/636459608.db2.gz QPXHVMSXXFPOJW-KGLIPLIRSA-N 1 2 269.385 2.289 20 30 CEEDLO Cc1cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)cc[nH+]1 ZINC000906662249 636815685 /nfs/dbraw/zinc/81/56/85/636815685.db2.gz VVKJJCZBFSRVJZ-SEEARECTSA-N 1 2 269.348 2.471 20 30 CEEDLO Cc1cc(C)c(C(=O)N2CC[C@](F)(C#N)C2)c(C)[nH+]1 ZINC000907637343 637073953 /nfs/dbraw/zinc/07/39/53/637073953.db2.gz VMZVSEXPNVLZIO-AWEZNQCLSA-N 1 2 261.300 2.085 20 30 CEEDLO C=CCCN(OCc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000832721240 637652789 /nfs/dbraw/zinc/65/27/89/637652789.db2.gz LVPDVPDIPDMXBS-UHFFFAOYSA-N 1 2 285.347 2.489 20 30 CEEDLO Nc1ccc2c(c1)CCC2=[NH+]NC(=S)NCC1CCC1 ZINC000834953572 637997032 /nfs/dbraw/zinc/99/70/32/637997032.db2.gz JSRNWZLJZDHNIE-UHFFFAOYSA-N 1 2 288.420 2.183 20 30 CEEDLO C#CCN(C(=O)CCCn1cc[nH+]c1)C1CCCC1 ZINC000163987734 639340444 /nfs/dbraw/zinc/34/04/44/639340444.db2.gz RCXBFNRAOOZLBE-UHFFFAOYSA-N 1 2 259.353 2.068 20 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276.384 2.317 20 30 CEEDLO COc1ccc2c(c1)C[C@@H](C[N@H+](C)[C@H](C)CC#N)O2 ZINC000929831496 640418059 /nfs/dbraw/zinc/41/80/59/640418059.db2.gz OZIWRBNJLFRTFI-RISCZKNCSA-N 1 2 260.337 2.233 20 30 CEEDLO COc1ccc2c(c1)C[C@@H](C[N@@H+](C)[C@H](C)CC#N)O2 ZINC000929831496 640418063 /nfs/dbraw/zinc/41/80/63/640418063.db2.gz OZIWRBNJLFRTFI-RISCZKNCSA-N 1 2 260.337 2.233 20 30 CEEDLO CCCCCCCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000914737404 640462295 /nfs/dbraw/zinc/46/22/95/640462295.db2.gz DVFHQMZLSWKMMK-AWEZNQCLSA-N 1 2 270.417 2.184 20 30 CEEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H]1C ZINC000994067516 640695066 /nfs/dbraw/zinc/69/50/66/640695066.db2.gz FYDBFKCUUWJNJQ-GXTWGEPZSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H]1C ZINC000994067516 640695067 /nfs/dbraw/zinc/69/50/67/640695067.db2.gz FYDBFKCUUWJNJQ-GXTWGEPZSA-N 1 2 298.390 2.332 20 30 CEEDLO C#CCOc1ccccc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844382124 640702152 /nfs/dbraw/zinc/70/21/52/640702152.db2.gz SGALFRRDAQPQJS-CYBMUJFWSA-N 1 2 284.315 2.452 20 30 CEEDLO C#CCOc1ccccc1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844391588 640705983 /nfs/dbraw/zinc/70/59/83/640705983.db2.gz RUGSGTCTAZJNDD-AWEZNQCLSA-N 1 2 297.358 2.163 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)c1cc(OC)ccc1OC ZINC000920087261 641114841 /nfs/dbraw/zinc/11/48/41/641114841.db2.gz GLUAEUFTBDBPJQ-WFASDCNBSA-N 1 2 292.379 2.219 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)c1cc(OC)ccc1OC ZINC000920087261 641114845 /nfs/dbraw/zinc/11/48/45/641114845.db2.gz GLUAEUFTBDBPJQ-WFASDCNBSA-N 1 2 292.379 2.219 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)c1cc(OC)ccc1OC ZINC000920087260 641115164 /nfs/dbraw/zinc/11/51/64/641115164.db2.gz GLUAEUFTBDBPJQ-SWLSCSKDSA-N 1 2 292.379 2.219 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)c1cc(OC)ccc1OC ZINC000920087260 641115168 /nfs/dbraw/zinc/11/51/68/641115168.db2.gz GLUAEUFTBDBPJQ-SWLSCSKDSA-N 1 2 292.379 2.219 20 30 CEEDLO CC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000846947866 641494599 /nfs/dbraw/zinc/49/45/99/641494599.db2.gz IBBAFJZLPQLRDT-LBPRGKRZSA-N 1 2 299.374 2.186 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000847017971 641524089 /nfs/dbraw/zinc/52/40/89/641524089.db2.gz GKDBDGOHHKCAPJ-LBPRGKRZSA-N 1 2 269.304 2.312 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000847017971 641524096 /nfs/dbraw/zinc/52/40/96/641524096.db2.gz GKDBDGOHHKCAPJ-LBPRGKRZSA-N 1 2 269.304 2.312 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)OCC)no2)C1 ZINC000847025604 641531530 /nfs/dbraw/zinc/53/15/30/641531530.db2.gz NVUVXOCGHOJOGE-VXGBXAGGSA-N 1 2 263.341 2.012 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)OCC)no2)C1 ZINC000847025604 641531535 /nfs/dbraw/zinc/53/15/35/641531535.db2.gz NVUVXOCGHOJOGE-VXGBXAGGSA-N 1 2 263.341 2.012 20 30 CEEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(OCC#N)cc2)n1 ZINC000847056713 641549276 /nfs/dbraw/zinc/54/92/76/641549276.db2.gz IYWDGDMOJJPRDV-LLVKDONJSA-N 1 2 286.335 2.473 20 30 CEEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)n1 ZINC000847056713 641549285 /nfs/dbraw/zinc/54/92/85/641549285.db2.gz IYWDGDMOJJPRDV-LLVKDONJSA-N 1 2 286.335 2.473 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000848287754 641953110 /nfs/dbraw/zinc/95/31/10/641953110.db2.gz XLUINQVXNGYIGZ-CQSZACIVSA-N 1 2 279.343 2.358 20 30 CEEDLO CCC(=NNCCCn1cc[nH+]c1)c1ccncc1 ZINC000848416551 641985131 /nfs/dbraw/zinc/98/51/31/641985131.db2.gz PBJRFKVGOHGGBO-UHFFFAOYSA-N 1 2 257.341 2.072 20 30 CEEDLO COc1ccc(C(C)=NNCCCn2cc[nH+]c2)c(O)c1 ZINC000848417645 641986314 /nfs/dbraw/zinc/98/63/14/641986314.db2.gz CQECLXQIGGNRBV-UHFFFAOYSA-N 1 2 288.351 2.001 20 30 CEEDLO Fc1cccc2c1CCC2=NNCCCn1cc[nH+]c1 ZINC000848419022 641987109 /nfs/dbraw/zinc/98/71/09/641987109.db2.gz XJDUMYODELWJLQ-UHFFFAOYSA-N 1 2 272.327 2.352 20 30 CEEDLO COc1ccc(C=NNCCCn2cc[nH+]c2)cc1C ZINC000848418775 641987133 /nfs/dbraw/zinc/98/71/33/641987133.db2.gz NEINYCNORMQXEO-UHFFFAOYSA-N 1 2 272.352 2.214 20 30 CEEDLO C#CCCN1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000851872934 643203777 /nfs/dbraw/zinc/20/37/77/643203777.db2.gz NTYQJFLHFIVTGQ-UHFFFAOYSA-N 1 2 299.443 2.480 20 30 CEEDLO C#C[C@@](C)(CC)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000852103630 643309000 /nfs/dbraw/zinc/30/90/00/643309000.db2.gz NEBBCMFRXAOAED-AWEZNQCLSA-N 1 2 257.293 2.358 20 30 CEEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)sn1 ZINC000877645644 650831955 /nfs/dbraw/zinc/83/19/55/650831955.db2.gz QXDILHQPYLYGDO-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc(C)[nH]n2)CC1 ZINC001005146601 643391553 /nfs/dbraw/zinc/39/15/53/643391553.db2.gz QKALWXDUSYKGFD-UHFFFAOYSA-N 1 2 296.802 2.007 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001014725147 643392495 /nfs/dbraw/zinc/39/24/95/643392495.db2.gz LQYKCJNDYOPGAW-ZDUSSCGKSA-N 1 2 293.798 2.231 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001014725147 643392499 /nfs/dbraw/zinc/39/24/99/643392499.db2.gz LQYKCJNDYOPGAW-ZDUSSCGKSA-N 1 2 293.798 2.231 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccsc2)no1 ZINC000852752933 643537472 /nfs/dbraw/zinc/53/74/72/643537472.db2.gz REEBKZWHMVYILP-UHFFFAOYSA-N 1 2 291.376 2.270 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccsc2)no1 ZINC000852752933 643537479 /nfs/dbraw/zinc/53/74/79/643537479.db2.gz REEBKZWHMVYILP-UHFFFAOYSA-N 1 2 291.376 2.270 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C[C@H](OC)[C@@H](C)CC)C(=O)OC ZINC000877689311 650851910 /nfs/dbraw/zinc/85/19/10/650851910.db2.gz DVUCPNMBPSLMQR-AVGNSLFASA-N 1 2 257.374 2.145 20 30 CEEDLO Cc1[nH]c(CN=Nc2ccc(C(F)(F)F)nn2)[nH+]c1C ZINC000853325405 643740718 /nfs/dbraw/zinc/74/07/18/643740718.db2.gz VBBVUEWQJBKMCF-UHFFFAOYSA-N 1 2 284.245 2.281 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccnn1C ZINC000853479496 643783709 /nfs/dbraw/zinc/78/37/09/643783709.db2.gz HSWQSJGVLYLMLR-UHFFFAOYSA-N 1 2 284.363 2.262 20 30 CEEDLO C=C(C)C[N@H+](C)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853505753 643793965 /nfs/dbraw/zinc/79/39/65/643793965.db2.gz QKARSMPVBCGVFZ-UHFFFAOYSA-N 1 2 266.291 2.386 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853505753 643793967 /nfs/dbraw/zinc/79/39/67/643793967.db2.gz QKARSMPVBCGVFZ-UHFFFAOYSA-N 1 2 266.291 2.386 20 30 CEEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)[C@H](C)COC ZINC000853535146 643805043 /nfs/dbraw/zinc/80/50/43/643805043.db2.gz PRMZRAFAZBONFJ-KFWWJZLASA-N 1 2 280.412 2.258 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)[C@H](C)COC ZINC000853535146 643805048 /nfs/dbraw/zinc/80/50/48/643805048.db2.gz PRMZRAFAZBONFJ-KFWWJZLASA-N 1 2 280.412 2.258 20 30 CEEDLO C#CC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)OC ZINC000839167645 644176612 /nfs/dbraw/zinc/17/66/12/644176612.db2.gz FSZNJEYPEBQSBU-CYBMUJFWSA-N 1 2 251.370 2.357 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877820040 650921563 /nfs/dbraw/zinc/92/15/63/650921563.db2.gz FWIVNDRODFCXIL-MFKMUULPSA-N 1 2 299.296 2.495 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC[C@@H](C(F)(F)F)O1 ZINC000877820040 650921566 /nfs/dbraw/zinc/92/15/66/650921566.db2.gz FWIVNDRODFCXIL-MFKMUULPSA-N 1 2 299.296 2.495 20 30 CEEDLO CCCCCCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000755066376 644467342 /nfs/dbraw/zinc/46/73/42/644467342.db2.gz ZIQUOBNOAWOUNO-OAHLLOKOSA-N 1 2 299.459 2.367 20 30 CEEDLO CCCCCCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000755066376 644467347 /nfs/dbraw/zinc/46/73/47/644467347.db2.gz ZIQUOBNOAWOUNO-OAHLLOKOSA-N 1 2 299.459 2.367 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000877976105 650964846 /nfs/dbraw/zinc/96/48/46/650964846.db2.gz FXTHCZMVBFMYAG-ZFWWWQNUSA-N 1 2 289.379 2.082 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000877976105 650964847 /nfs/dbraw/zinc/96/48/47/650964847.db2.gz FXTHCZMVBFMYAG-ZFWWWQNUSA-N 1 2 289.379 2.082 20 30 CEEDLO N#CCSc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857991420 645041662 /nfs/dbraw/zinc/04/16/62/645041662.db2.gz JVRRVOCLQYYMDP-LBPRGKRZSA-N 1 2 298.371 2.374 20 30 CEEDLO N#Cc1cccc(COC(=O)CCc2ccc(N)[nH+]c2)c1 ZINC000759811405 645078817 /nfs/dbraw/zinc/07/88/17/645078817.db2.gz QXBQLRLLVNABKJ-UHFFFAOYSA-N 1 2 281.315 2.211 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCc2ccn(C)n2)c(O)c1 ZINC000761015587 645222940 /nfs/dbraw/zinc/22/29/40/645222940.db2.gz NZHGKZMPMPQFFM-LFIBNONCSA-N 1 2 273.336 2.186 20 30 CEEDLO CCOc1cccc(/C=[NH+]\CCc2ccn(C)n2)c1O ZINC000761015405 645223178 /nfs/dbraw/zinc/22/31/78/645223178.db2.gz MBYDKYLPITXBMM-WJDWOHSUSA-N 1 2 273.336 2.186 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]Nc2cnn(C)c2)c(O)c1 ZINC000761860106 645326007 /nfs/dbraw/zinc/32/60/07/645326007.db2.gz GPQFATDZUICQTF-UHFFFAOYSA-N 1 2 287.367 2.418 20 30 CEEDLO C#CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000763959466 645594706 /nfs/dbraw/zinc/59/47/06/645594706.db2.gz IEFGAGURWBDKNE-UHFFFAOYSA-N 1 2 271.276 2.334 20 30 CEEDLO C#CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000763959466 645594709 /nfs/dbraw/zinc/59/47/09/645594709.db2.gz IEFGAGURWBDKNE-UHFFFAOYSA-N 1 2 271.276 2.334 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000116951957 645598493 /nfs/dbraw/zinc/59/84/93/645598493.db2.gz QGTXALGMOOCINZ-NSHDSACASA-N 1 2 277.368 2.471 20 30 CEEDLO COCC#CCO[NH+]=C(N)Cc1ccccc1Cl ZINC000764210208 645621125 /nfs/dbraw/zinc/62/11/25/645621125.db2.gz JVYZVRXJSXGXQI-UHFFFAOYSA-N 1 2 266.728 2.031 20 30 CEEDLO C#CCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000764241483 645624222 /nfs/dbraw/zinc/62/42/22/645624222.db2.gz QPGWRMBFLZGJSO-UHFFFAOYSA-N 1 2 253.349 2.387 20 30 CEEDLO C#CCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000764241483 645624224 /nfs/dbraw/zinc/62/42/24/645624224.db2.gz QPGWRMBFLZGJSO-UHFFFAOYSA-N 1 2 253.349 2.387 20 30 CEEDLO CCC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766612082 645905012 /nfs/dbraw/zinc/90/50/12/645905012.db2.gz LOZRZUGTMNEZTL-UHFFFAOYSA-N 1 2 285.391 2.288 20 30 CEEDLO CC[C@](C)([NH2+]CCCOc1ccc(C#N)cc1)C(=O)OC ZINC000769161180 646217588 /nfs/dbraw/zinc/21/75/88/646217588.db2.gz MONWZRQIHSBXKC-INIZCTEOSA-N 1 2 290.363 2.258 20 30 CEEDLO FC(F)(F)CNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000769808354 646319927 /nfs/dbraw/zinc/31/99/27/646319927.db2.gz NCJMHSZEZFFGJF-UHFFFAOYSA-N 1 2 274.271 2.420 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000862277206 646390375 /nfs/dbraw/zinc/39/03/75/646390375.db2.gz RYTYRSNVVCKXON-UHFFFAOYSA-N 1 2 299.168 2.257 20 30 CEEDLO CO[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000773428642 646737864 /nfs/dbraw/zinc/73/78/64/646737864.db2.gz FEBVNVQEDLYTTI-OAHLLOKOSA-N 1 2 296.374 2.273 20 30 CEEDLO CO[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000773428642 646737869 /nfs/dbraw/zinc/73/78/69/646737869.db2.gz FEBVNVQEDLYTTI-OAHLLOKOSA-N 1 2 296.374 2.273 20 30 CEEDLO N#Cc1cccn(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1=O ZINC000774677789 646876727 /nfs/dbraw/zinc/87/67/27/646876727.db2.gz VYXYRBPVAQQVIZ-UHFFFAOYSA-N 1 2 291.354 2.225 20 30 CEEDLO N#Cc1cccn(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1=O ZINC000774677789 646876729 /nfs/dbraw/zinc/87/67/29/646876729.db2.gz VYXYRBPVAQQVIZ-UHFFFAOYSA-N 1 2 291.354 2.225 20 30 CEEDLO C=CCCC(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000774757881 646892467 /nfs/dbraw/zinc/89/24/67/646892467.db2.gz RSERKNTVAAROQB-CYBMUJFWSA-N 1 2 297.395 2.302 20 30 CEEDLO C=CCCC(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000774757881 646892473 /nfs/dbraw/zinc/89/24/73/646892473.db2.gz RSERKNTVAAROQB-CYBMUJFWSA-N 1 2 297.395 2.302 20 30 CEEDLO Fc1ccccc1NC(=S)NN=C1C[NH+]2CCC1CC2 ZINC000864094918 646899735 /nfs/dbraw/zinc/89/97/35/646899735.db2.gz NMCPGWZBOJEBGA-UHFFFAOYSA-N 1 2 292.383 2.194 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000775789482 646992483 /nfs/dbraw/zinc/99/24/83/646992483.db2.gz CXPDHDUEVQLOGU-CABCVRRESA-N 1 2 274.751 2.482 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc(C)c(C)s1)[C@@H]1CCCO1 ZINC000775800081 646994595 /nfs/dbraw/zinc/99/45/95/646994595.db2.gz QRNPPERMEMTJFW-RYUDHWBXSA-N 1 2 250.367 2.030 20 30 CEEDLO N#CCc1ccccc1CC(=O)NCCCCn1cc[nH+]c1 ZINC000777402284 647132764 /nfs/dbraw/zinc/13/27/64/647132764.db2.gz ZEBUTQCBCZFRGV-UHFFFAOYSA-N 1 2 296.374 2.088 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccccc1CC#N ZINC000777408437 647133616 /nfs/dbraw/zinc/13/36/16/647133616.db2.gz KUBDKUBEAXSYHS-UHFFFAOYSA-N 1 2 296.374 2.040 20 30 CEEDLO C=C(C)C[N@@H+](C)Cn1ncc(C(=O)OCC)c1C(F)F ZINC000777960496 647192478 /nfs/dbraw/zinc/19/24/78/647192478.db2.gz FSLUNXRBTYMNIU-UHFFFAOYSA-N 1 2 287.310 2.463 20 30 CEEDLO C=C(C)C[N@H+](C)Cn1ncc(C(=O)OCC)c1C(F)F ZINC000777960496 647192483 /nfs/dbraw/zinc/19/24/83/647192483.db2.gz FSLUNXRBTYMNIU-UHFFFAOYSA-N 1 2 287.310 2.463 20 30 CEEDLO CC(C)[C@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779878347 647368020 /nfs/dbraw/zinc/36/80/20/647368020.db2.gz HPAOOUKVDYJMDQ-ZDUSSCGKSA-N 1 2 263.385 2.074 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927679 647539519 /nfs/dbraw/zinc/53/95/19/647539519.db2.gz FOXHXVSFKBSJIN-GFCCVEGCSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927679 647539527 /nfs/dbraw/zinc/53/95/27/647539527.db2.gz FOXHXVSFKBSJIN-GFCCVEGCSA-N 1 2 292.314 2.312 20 30 CEEDLO Nc1ncc(C=[NH+]Nc2ccccc2Br)cn1 ZINC000781586856 647541011 /nfs/dbraw/zinc/54/10/11/647541011.db2.gz QJWRIVUDPHXBOQ-UHFFFAOYSA-N 1 2 292.140 2.267 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1cc(NCCC)[nH+]cn1 ZINC000865977952 647560686 /nfs/dbraw/zinc/56/06/86/647560686.db2.gz WUYVMAKQHINEHW-LBPRGKRZSA-N 1 2 262.357 2.139 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1cc(NCCC)nc[nH+]1 ZINC000865977952 647560689 /nfs/dbraw/zinc/56/06/89/647560689.db2.gz WUYVMAKQHINEHW-LBPRGKRZSA-N 1 2 262.357 2.139 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@H](O)C(F)F ZINC000866037887 647581623 /nfs/dbraw/zinc/58/16/23/647581623.db2.gz RPAYXGYIBKQUCP-LLVKDONJSA-N 1 2 284.306 2.302 20 30 CEEDLO CN(C)c1cc(C[N@H+](CCC#N)CC2CC2)ccn1 ZINC000782176797 647595573 /nfs/dbraw/zinc/59/55/73/647595573.db2.gz QBKARCJPRMBMHF-UHFFFAOYSA-N 1 2 258.369 2.273 20 30 CEEDLO CN(C)c1cc(C[N@@H+](CCC#N)CC2CC2)ccn1 ZINC000782176797 647595576 /nfs/dbraw/zinc/59/55/76/647595576.db2.gz QBKARCJPRMBMHF-UHFFFAOYSA-N 1 2 258.369 2.273 20 30 CEEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947633 647664592 /nfs/dbraw/zinc/66/45/92/647664592.db2.gz DWSPLMLUWHYMLE-QMMMGPOBSA-N 1 2 287.157 2.121 20 30 CEEDLO N#CC1(C(=O)OCCCn2cc[nH+]c2)CCCCC1 ZINC000783173625 647687293 /nfs/dbraw/zinc/68/72/93/647687293.db2.gz CJPDXAIGFFNSBS-UHFFFAOYSA-N 1 2 261.325 2.290 20 30 CEEDLO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866248150 647693830 /nfs/dbraw/zinc/69/38/30/647693830.db2.gz LQUORSSHYPYSAF-WCQYABFASA-N 1 2 262.353 2.321 20 30 CEEDLO C#CCSCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866299017 647722043 /nfs/dbraw/zinc/72/20/43/647722043.db2.gz GCZLBHZJQNVYNB-NSHDSACASA-N 1 2 260.362 2.281 20 30 CEEDLO CC[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866301850 647724366 /nfs/dbraw/zinc/72/43/66/647724366.db2.gz VUCUEUTTYAPXDD-AAEUAGOBSA-N 1 2 262.353 2.466 20 30 CEEDLO C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1O)[S@](C)=O ZINC000866305950 647728027 /nfs/dbraw/zinc/72/80/27/647728027.db2.gz OCHUGCUFPSOGBV-FDMGOTLNSA-N 1 2 280.393 2.072 20 30 CEEDLO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866306122 647728345 /nfs/dbraw/zinc/72/83/45/647728345.db2.gz YKSFRMGNSNFESY-XCJKDKRRSA-N 1 2 280.393 2.072 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866311753 647731250 /nfs/dbraw/zinc/73/12/50/647731250.db2.gz NOSWWIDQKCSZSC-NTZNESFSSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(C#N)c1O ZINC000866386015 647767832 /nfs/dbraw/zinc/76/78/32/647767832.db2.gz VVDKTOHHADSABO-JQWIXIFHSA-N 1 2 260.337 2.482 20 30 CEEDLO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866396525 647771895 /nfs/dbraw/zinc/77/18/95/647771895.db2.gz YATKETIBOXHSSZ-GWCFXTLKSA-N 1 2 286.331 2.176 20 30 CEEDLO C[C@@H]1CCN(C(=O)c2coc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000866581186 647831215 /nfs/dbraw/zinc/83/12/15/647831215.db2.gz CHQNECANLCDKHP-BXUZGUMPSA-N 1 2 284.319 2.071 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCCCNC1=O ZINC000784340883 647838250 /nfs/dbraw/zinc/83/82/50/647838250.db2.gz GGJISNSWOSPINE-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCCCNC1=O ZINC000784340883 647838251 /nfs/dbraw/zinc/83/82/51/647838251.db2.gz GGJISNSWOSPINE-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000790267297 648399454 /nfs/dbraw/zinc/39/94/54/648399454.db2.gz VAJRNFCCPGBONC-UHFFFAOYSA-N 1 2 285.384 2.496 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000790267297 648399459 /nfs/dbraw/zinc/39/94/59/648399459.db2.gz VAJRNFCCPGBONC-UHFFFAOYSA-N 1 2 285.384 2.496 20 30 CEEDLO N#Cc1c(F)cccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792148882 648614597 /nfs/dbraw/zinc/61/45/97/648614597.db2.gz BAEAQMKOXSDRCT-UHFFFAOYSA-N 1 2 271.251 2.032 20 30 CEEDLO C=CC(C)(C)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000871624709 649125028 /nfs/dbraw/zinc/12/50/28/649125028.db2.gz CWZLFSMYOGGSAL-UHFFFAOYSA-N 1 2 264.373 2.175 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]NC[C@@H]1CCCC1(F)F ZINC000872407473 649382776 /nfs/dbraw/zinc/38/27/76/649382776.db2.gz UMTDILFDQXTAQY-VIFPVBQESA-N 1 2 295.337 2.124 20 30 CEEDLO CC(=[NH+][N-]c1cc(C)[nH+]c(N)n1)c1ccccc1N(C)C ZINC000872420946 649386808 /nfs/dbraw/zinc/38/68/08/649386808.db2.gz SDHIAVZVVZMFTG-UHFFFAOYSA-N 1 2 284.367 2.269 20 30 CEEDLO C[N@H+](CCc1cccc(C#N)c1)CN1CCSC1=O ZINC000872706217 649463228 /nfs/dbraw/zinc/46/32/28/649463228.db2.gz YOMGKGVKOHRDTJ-UHFFFAOYSA-N 1 2 275.377 2.159 20 30 CEEDLO C[N@@H+](CCc1cccc(C#N)c1)CN1CCSC1=O ZINC000872706217 649463231 /nfs/dbraw/zinc/46/32/31/649463231.db2.gz YOMGKGVKOHRDTJ-UHFFFAOYSA-N 1 2 275.377 2.159 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000878645705 651150500 /nfs/dbraw/zinc/15/05/00/651150500.db2.gz PSBYQPRFPZXRGS-TZMCWYRMSA-N 1 2 275.348 2.387 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000878645705 651150501 /nfs/dbraw/zinc/15/05/01/651150501.db2.gz PSBYQPRFPZXRGS-TZMCWYRMSA-N 1 2 275.348 2.387 20 30 CEEDLO Cc1ccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)nc1Cl ZINC000878771098 651182484 /nfs/dbraw/zinc/18/24/84/651182484.db2.gz CCZCMWJWOCQNNX-BETUJISGSA-N 1 2 292.814 2.462 20 30 CEEDLO Cc1ccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)nc1Cl ZINC000878771098 651182485 /nfs/dbraw/zinc/18/24/85/651182485.db2.gz CCZCMWJWOCQNNX-BETUJISGSA-N 1 2 292.814 2.462 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@@H](C)N1CC#N ZINC000878772018 651182777 /nfs/dbraw/zinc/18/27/77/651182777.db2.gz CJYLVAUTTQOMHU-VXGBXAGGSA-N 1 2 274.393 2.038 20 30 CEEDLO Cc1cc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc(Cl)n1 ZINC000878773412 651183422 /nfs/dbraw/zinc/18/34/22/651183422.db2.gz XIKCAAWSPLEGGT-STQMWFEESA-N 1 2 292.814 2.462 20 30 CEEDLO Cc1conc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000878803129 651188194 /nfs/dbraw/zinc/18/81/94/651188194.db2.gz WSKOKXLQBCXLJQ-HNNXBMFYSA-N 1 2 271.320 2.020 20 30 CEEDLO Cc1conc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000878803129 651188196 /nfs/dbraw/zinc/18/81/96/651188196.db2.gz WSKOKXLQBCXLJQ-HNNXBMFYSA-N 1 2 271.320 2.020 20 30 CEEDLO N#Cc1ccc(N2CC[NH+](C/C=C/Cl)CC2)cc1 ZINC000879584864 651327678 /nfs/dbraw/zinc/32/76/78/651327678.db2.gz LNRPZSANEFOZOB-LZCJLJQNSA-N 1 2 261.756 2.433 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880444897 651442725 /nfs/dbraw/zinc/44/27/25/651442725.db2.gz RIDOIXUPDTVADK-JTQLQIEISA-N 1 2 266.291 2.252 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880444897 651442726 /nfs/dbraw/zinc/44/27/26/651442726.db2.gz RIDOIXUPDTVADK-JTQLQIEISA-N 1 2 266.291 2.252 20 30 CEEDLO CN(CCc1cccc(C#N)c1)c1cc(CO)cc[nH+]1 ZINC000882689709 652180978 /nfs/dbraw/zinc/18/09/78/652180978.db2.gz VFXSWCQNOHPSKN-UHFFFAOYSA-N 1 2 267.332 2.124 20 30 CEEDLO C=C(C)C[C@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000883005737 652320348 /nfs/dbraw/zinc/32/03/48/652320348.db2.gz XAXOQQUMTGSEKP-LLVKDONJSA-N 1 2 272.352 2.411 20 30 CEEDLO C=C(C)C[C@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000883006026 652320397 /nfs/dbraw/zinc/32/03/97/652320397.db2.gz HDTGCWWPTLDRKQ-LLVKDONJSA-N 1 2 279.388 2.010 20 30 CEEDLO C=C(C)C[C@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000883006026 652320400 /nfs/dbraw/zinc/32/04/00/652320400.db2.gz HDTGCWWPTLDRKQ-LLVKDONJSA-N 1 2 279.388 2.010 20 30 CEEDLO CCN1CC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000883356411 652440319 /nfs/dbraw/zinc/44/03/19/652440319.db2.gz MXCOAQRTUJRUDX-YPMHNXCESA-N 1 2 259.353 2.009 20 30 CEEDLO C=CCC1(O)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000884723477 652970430 /nfs/dbraw/zinc/97/04/30/652970430.db2.gz NLIAPNKFGZHPBP-UHFFFAOYSA-N 1 2 261.369 2.309 20 30 CEEDLO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029182397 805580203 /nfs/dbraw/zinc/58/02/03/805580203.db2.gz HJIMMZMXPFPCFK-HDICACEKSA-N 1 2 294.398 2.123 20 30 CEEDLO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029182397 805580212 /nfs/dbraw/zinc/58/02/12/805580212.db2.gz HJIMMZMXPFPCFK-HDICACEKSA-N 1 2 294.398 2.123 20 30 CEEDLO C=C(CC)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000455521279 805749165 /nfs/dbraw/zinc/74/91/65/805749165.db2.gz KGLYNZWWTNWZGI-CYBMUJFWSA-N 1 2 276.384 2.275 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098243833 806478831 /nfs/dbraw/zinc/47/88/31/806478831.db2.gz GTDHFJRAJKJHPQ-IAQYHMDHSA-N 1 2 276.384 2.304 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001105706086 806963625 /nfs/dbraw/zinc/96/36/25/806963625.db2.gz RDBMJZVIAPSNCM-CQSZACIVSA-N 1 2 294.439 2.300 20 30 CEEDLO C[N@H+](Cc1cncnc1)Cc1cc(F)cc(C#N)c1 ZINC001139880079 802321463 /nfs/dbraw/zinc/32/14/63/802321463.db2.gz XYAUERLESACBBG-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C[N@@H+](Cc1cncnc1)Cc1cc(F)cc(C#N)c1 ZINC001139880079 802321471 /nfs/dbraw/zinc/32/14/71/802321471.db2.gz XYAUERLESACBBG-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C=CCCC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084131 802338709 /nfs/dbraw/zinc/33/87/09/802338709.db2.gz LIFNZVYIKBWCKT-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208084131 802338722 /nfs/dbraw/zinc/33/87/22/802338722.db2.gz LIFNZVYIKBWCKT-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001039077786 802482479 /nfs/dbraw/zinc/48/24/79/802482479.db2.gz RYFJDGNQDOTMOZ-ZDUSSCGKSA-N 1 2 282.343 2.260 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001039077786 802482483 /nfs/dbraw/zinc/48/24/83/802482483.db2.gz RYFJDGNQDOTMOZ-ZDUSSCGKSA-N 1 2 282.343 2.260 20 30 CEEDLO Cc1nnc(CNc2[nH+]ccc3ccc(C#N)cc32)o1 ZINC001161711606 808959565 /nfs/dbraw/zinc/95/95/65/808959565.db2.gz ULXWGVRWHIBGFP-UHFFFAOYSA-N 1 2 265.276 2.410 20 30 CEEDLO C=C1CC(C)(C(=O)N(C)CC[NH2+][C@H](C)c2csnn2)C1 ZINC001266831769 802931196 /nfs/dbraw/zinc/93/11/96/802931196.db2.gz LZJAXSNLQBOUCB-LLVKDONJSA-N 1 2 294.424 2.003 20 30 CEEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721498661 803050221 /nfs/dbraw/zinc/05/02/21/803050221.db2.gz ARLKCCVZCTUMOG-AWEZNQCLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000721498661 803050228 /nfs/dbraw/zinc/05/02/28/803050228.db2.gz ARLKCCVZCTUMOG-AWEZNQCLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC1(c2cc[nH+]c(NCCCS)c2)OCCO1 ZINC001171001301 813734407 /nfs/dbraw/zinc/73/44/07/813734407.db2.gz XVZVAYRTRCWBDP-UHFFFAOYSA-N 1 2 254.355 2.033 20 30 CEEDLO C=CCC[N@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001267266297 803312453 /nfs/dbraw/zinc/31/24/53/803312453.db2.gz CLKJVPGGUSQULK-VHSXEESVSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001267266297 803312460 /nfs/dbraw/zinc/31/24/60/803312460.db2.gz CLKJVPGGUSQULK-VHSXEESVSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001267266297 803312466 /nfs/dbraw/zinc/31/24/66/803312466.db2.gz CLKJVPGGUSQULK-VHSXEESVSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001267266297 803312474 /nfs/dbraw/zinc/31/24/74/803312474.db2.gz CLKJVPGGUSQULK-VHSXEESVSA-N 1 2 282.281 2.044 20 30 CEEDLO N#Cc1c(F)cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1F ZINC001140754688 803519016 /nfs/dbraw/zinc/51/90/16/803519016.db2.gz IENNAQLIMZNHQW-NSHDSACASA-N 1 2 295.308 2.064 20 30 CEEDLO N#Cc1c(F)cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1F ZINC001140754688 803519019 /nfs/dbraw/zinc/51/90/19/803519019.db2.gz IENNAQLIMZNHQW-NSHDSACASA-N 1 2 295.308 2.064 20 30 CEEDLO C=CCC1(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)CCCCC1 ZINC001267669861 803650013 /nfs/dbraw/zinc/65/00/13/803650013.db2.gz LNZDUKOKUUDNJF-CQSZACIVSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001038344749 803666563 /nfs/dbraw/zinc/66/65/63/803666563.db2.gz KBSBHTCHXNCBGQ-IRBQFCFKSA-N 1 2 293.798 2.231 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001038344749 803666566 /nfs/dbraw/zinc/66/65/66/803666566.db2.gz KBSBHTCHXNCBGQ-IRBQFCFKSA-N 1 2 293.798 2.231 20 30 CEEDLO C=CCCCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104785126 803691589 /nfs/dbraw/zinc/69/15/89/803691589.db2.gz NRUSZLCZKKDDEP-GFCCVEGCSA-N 1 2 276.384 2.400 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038701494 803976673 /nfs/dbraw/zinc/97/66/73/803976673.db2.gz AMOCPALHZSOYFB-OAHLLOKOSA-N 1 2 299.418 2.341 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038701494 803976683 /nfs/dbraw/zinc/97/66/83/803976683.db2.gz AMOCPALHZSOYFB-OAHLLOKOSA-N 1 2 299.418 2.341 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001268029495 804096683 /nfs/dbraw/zinc/09/66/83/804096683.db2.gz DUWZRTUDDARJHX-LSDHHAIUSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001268029495 804096692 /nfs/dbraw/zinc/09/66/92/804096692.db2.gz DUWZRTUDDARJHX-LSDHHAIUSA-N 1 2 282.428 2.062 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC1 ZINC001027714247 804214304 /nfs/dbraw/zinc/21/43/04/804214304.db2.gz VPSQCJIUIXADGM-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC1 ZINC001027714247 804214306 /nfs/dbraw/zinc/21/43/06/804214306.db2.gz VPSQCJIUIXADGM-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO CC1CC(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001038157516 804492271 /nfs/dbraw/zinc/49/22/71/804492271.db2.gz HJLWEYIXWYEBOX-VJFUWPCTSA-N 1 2 296.414 2.275 20 30 CEEDLO CC1CC(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001038157516 804492275 /nfs/dbraw/zinc/49/22/75/804492275.db2.gz HJLWEYIXWYEBOX-VJFUWPCTSA-N 1 2 296.414 2.275 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NC1C[NH+](CC2=CCCCC2)C1 ZINC001268256185 804578982 /nfs/dbraw/zinc/57/89/82/804578982.db2.gz AUPRGMGBJLKZRA-CQSZACIVSA-N 1 2 292.423 2.268 20 30 CEEDLO C=CCn1cnn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1=S ZINC001118580366 815027287 /nfs/dbraw/zinc/02/72/87/815027287.db2.gz KJJUTMSPJMBKDX-AWEZNQCLSA-N 1 2 294.424 2.060 20 30 CEEDLO C=CCn1cnn(C[N@H+]2CC[C@]3(C2)CCCOC3)c1=S ZINC001118580366 815027294 /nfs/dbraw/zinc/02/72/94/815027294.db2.gz KJJUTMSPJMBKDX-AWEZNQCLSA-N 1 2 294.424 2.060 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC001088842452 804807738 /nfs/dbraw/zinc/80/77/38/804807738.db2.gz HWMNCQGESZZOLD-OCCSQVGLSA-N 1 2 295.814 2.279 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC001088842452 804807746 /nfs/dbraw/zinc/80/77/46/804807746.db2.gz HWMNCQGESZZOLD-OCCSQVGLSA-N 1 2 295.814 2.279 20 30 CEEDLO CC#CCCCC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104159459 805011543 /nfs/dbraw/zinc/01/15/43/805011543.db2.gz SMSXMEKFVCXEBT-CYBMUJFWSA-N 1 2 288.395 2.143 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001269051563 805034917 /nfs/dbraw/zinc/03/49/17/805034917.db2.gz BMMZZZIJCISOHY-AWEZNQCLSA-N 1 2 291.370 2.123 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001269051563 805034928 /nfs/dbraw/zinc/03/49/28/805034928.db2.gz BMMZZZIJCISOHY-AWEZNQCLSA-N 1 2 291.370 2.123 20 30 CEEDLO C=CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001269268532 805105433 /nfs/dbraw/zinc/10/54/33/805105433.db2.gz MYYCGLXLCIWNQZ-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001269268532 805105439 /nfs/dbraw/zinc/10/54/39/805105439.db2.gz MYYCGLXLCIWNQZ-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C=C(C)CCC(=O)NCC1([NH2+][C@H](C)c2ncccn2)CC1 ZINC001269420494 805160375 /nfs/dbraw/zinc/16/03/75/805160375.db2.gz YJJNVJRAQAJRPN-CYBMUJFWSA-N 1 2 288.395 2.132 20 30 CEEDLO C=CCn1cnn(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1=S ZINC001119077043 815069284 /nfs/dbraw/zinc/06/92/84/815069284.db2.gz ZDEDYLUYOCGSKA-RYUDHWBXSA-N 1 2 296.465 2.242 20 30 CEEDLO C=CCn1cnn(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1=S ZINC001119077043 815069287 /nfs/dbraw/zinc/06/92/87/815069287.db2.gz ZDEDYLUYOCGSKA-RYUDHWBXSA-N 1 2 296.465 2.242 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2coc3ccc(CC)cc23)C1 ZINC001030315406 807143601 /nfs/dbraw/zinc/14/36/01/807143601.db2.gz WQILKKNZIIOUSM-UHFFFAOYSA-N 1 2 296.370 2.433 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001030516194 807215858 /nfs/dbraw/zinc/21/58/58/807215858.db2.gz YCRRNSRSHJXSMT-UHFFFAOYSA-N 1 2 287.407 2.044 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001030542741 807226887 /nfs/dbraw/zinc/22/68/87/807226887.db2.gz BYIIYFKUQKPULM-UHFFFAOYSA-N 1 2 290.794 2.015 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2C2CC2)C1 ZINC001030731545 807349383 /nfs/dbraw/zinc/34/93/83/807349383.db2.gz DLISURANPQGNCB-HOTGVXAUSA-N 1 2 274.408 2.027 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001030993605 807571949 /nfs/dbraw/zinc/57/19/49/807571949.db2.gz HEAIWPNURHMIRF-UHFFFAOYSA-N 1 2 276.767 2.086 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2sc(CC)nc2C)C1 ZINC001031091679 807644611 /nfs/dbraw/zinc/64/46/11/807644611.db2.gz JENSECWCTAKUAB-UHFFFAOYSA-N 1 2 279.409 2.004 20 30 CEEDLO CCc1cccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)n1 ZINC001235258519 807803453 /nfs/dbraw/zinc/80/34/53/807803453.db2.gz OFJGZRZXPUWZDO-AWEZNQCLSA-N 1 2 274.389 2.418 20 30 CEEDLO CCc1cccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)n1 ZINC001235258519 807803462 /nfs/dbraw/zinc/80/34/62/807803462.db2.gz OFJGZRZXPUWZDO-AWEZNQCLSA-N 1 2 274.389 2.418 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001031235807 807823150 /nfs/dbraw/zinc/82/31/50/807823150.db2.gz HDIPNSGDJWCUIF-LBPRGKRZSA-N 1 2 250.386 2.189 20 30 CEEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001235464402 807833713 /nfs/dbraw/zinc/83/37/13/807833713.db2.gz IMOATSIKIKPAIL-LBPRGKRZSA-N 1 2 294.399 2.097 20 30 CEEDLO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001235464402 807833721 /nfs/dbraw/zinc/83/37/21/807833721.db2.gz IMOATSIKIKPAIL-LBPRGKRZSA-N 1 2 294.399 2.097 20 30 CEEDLO C[N@H+](Cc1c(F)cc(C#N)cc1F)[C@H]1CCCOC1 ZINC001235660578 807849273 /nfs/dbraw/zinc/84/92/73/807849273.db2.gz GAFLSDSQLHHESU-NSHDSACASA-N 1 2 266.291 2.447 20 30 CEEDLO C[N@@H+](Cc1c(F)cc(C#N)cc1F)[C@H]1CCCOC1 ZINC001235660578 807849281 /nfs/dbraw/zinc/84/92/81/807849281.db2.gz GAFLSDSQLHHESU-NSHDSACASA-N 1 2 266.291 2.447 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2C(F)(F)F)C1 ZINC001031298835 807874963 /nfs/dbraw/zinc/87/49/63/807874963.db2.gz YQRBCLFVTRIEDM-UHFFFAOYSA-N 1 2 296.292 2.143 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001031367885 807936764 /nfs/dbraw/zinc/93/67/64/807936764.db2.gz UUHDWUCHEMXNMQ-UHFFFAOYSA-N 1 2 292.382 2.206 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001031422148 807953840 /nfs/dbraw/zinc/95/38/40/807953840.db2.gz BDVFPQOAKMXXMR-INIZCTEOSA-N 1 2 262.397 2.499 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001031454024 807963486 /nfs/dbraw/zinc/96/34/86/807963486.db2.gz NUAYYNKQWVYRFJ-UHFFFAOYSA-N 1 2 299.374 2.167 20 30 CEEDLO N#CC1CCC(C[N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC001119837924 815163380 /nfs/dbraw/zinc/16/33/80/815163380.db2.gz OVAKSRABZYSGMM-MCIGGMRASA-N 1 2 258.312 2.018 20 30 CEEDLO N#CC1CCC(C[N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC001119837924 815163382 /nfs/dbraw/zinc/16/33/82/815163382.db2.gz OVAKSRABZYSGMM-MCIGGMRASA-N 1 2 258.312 2.018 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094710862 815164641 /nfs/dbraw/zinc/16/46/41/815164641.db2.gz SSESIDWHGDUFFA-ZDUSSCGKSA-N 1 2 276.384 2.306 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(C)(C)C)n1 ZINC001032400952 808576228 /nfs/dbraw/zinc/57/62/28/808576228.db2.gz AEMZNXYSFNWBDC-RYUDHWBXSA-N 1 2 289.379 2.057 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(C)(C)C)n1 ZINC001032400952 808576234 /nfs/dbraw/zinc/57/62/34/808576234.db2.gz AEMZNXYSFNWBDC-RYUDHWBXSA-N 1 2 289.379 2.057 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=CCCCCC2)C1 ZINC001107894405 808577252 /nfs/dbraw/zinc/57/72/52/808577252.db2.gz 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C=CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CC)cc1 ZINC001038429161 810840053 /nfs/dbraw/zinc/84/00/53/810840053.db2.gz WOHACNDVQBOBMO-INIZCTEOSA-N 1 2 298.386 2.079 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001038786882 810915771 /nfs/dbraw/zinc/91/57/71/810915771.db2.gz RWJQLPCUTUZCRK-STQMWFEESA-N 1 2 289.379 2.016 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([C@@H](C)CC)no1 ZINC001038786882 810915777 /nfs/dbraw/zinc/91/57/77/810915777.db2.gz RWJQLPCUTUZCRK-STQMWFEESA-N 1 2 289.379 2.016 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038802612 810919203 /nfs/dbraw/zinc/91/92/03/810919203.db2.gz PPIXPCTYBBXBIN-GOSISDBHSA-N 1 2 294.398 2.473 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038802612 810919207 /nfs/dbraw/zinc/91/92/07/810919207.db2.gz PPIXPCTYBBXBIN-GOSISDBHSA-N 1 2 294.398 2.473 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ccsc21 ZINC001038881710 810935893 /nfs/dbraw/zinc/93/58/93/810935893.db2.gz CBUFSTAENQKUCB-ZDUSSCGKSA-N 1 2 284.384 2.339 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ccsc21 ZINC001038881710 810935895 /nfs/dbraw/zinc/93/58/95/810935895.db2.gz CBUFSTAENQKUCB-ZDUSSCGKSA-N 1 2 284.384 2.339 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1Cl ZINC001038951033 810956475 /nfs/dbraw/zinc/95/64/75/810956475.db2.gz ZVLOOOFWLGEMSM-SNVBAGLBSA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1Cl ZINC001038951033 810956482 /nfs/dbraw/zinc/95/64/82/810956482.db2.gz ZVLOOOFWLGEMSM-SNVBAGLBSA-N 1 2 297.185 2.431 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001038972614 810960614 /nfs/dbraw/zinc/96/06/14/810960614.db2.gz KFXWITKOYMXWAQ-OAHLLOKOSA-N 1 2 270.376 2.131 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001038972614 810960619 /nfs/dbraw/zinc/96/06/19/810960619.db2.gz KFXWITKOYMXWAQ-OAHLLOKOSA-N 1 2 270.376 2.131 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001038976336 810960988 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ZINC001085985703 810992287 /nfs/dbraw/zinc/99/22/87/810992287.db2.gz KWFSGYAQSZXCSK-CYBMUJFWSA-N 1 2 276.405 2.090 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1CC ZINC001085985703 810992294 /nfs/dbraw/zinc/99/22/94/810992294.db2.gz KWFSGYAQSZXCSK-CYBMUJFWSA-N 1 2 276.405 2.090 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCCC)C1 ZINC001108378754 811243097 /nfs/dbraw/zinc/24/30/97/811243097.db2.gz NJTMONDWBYXKIX-MRXNPFEDSA-N 1 2 282.428 2.350 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCCC)C1 ZINC001108378754 811243101 /nfs/dbraw/zinc/24/31/01/811243101.db2.gz NJTMONDWBYXKIX-MRXNPFEDSA-N 1 2 282.428 2.350 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001042743854 811323853 /nfs/dbraw/zinc/32/38/53/811323853.db2.gz JOOSXOFDAQXMDS-HOTGVXAUSA-N 1 2 294.439 2.156 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]23CCO[C@@H]2CCCC3)C1 ZINC001043314266 811365276 /nfs/dbraw/zinc/36/52/76/811365276.db2.gz LPXPIRKDMDMCQL-WBVHZDCISA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001043586957 811387951 /nfs/dbraw/zinc/38/79/51/811387951.db2.gz MPFVQJSAWAPIHF-UHFFFAOYSA-N 1 2 275.396 2.470 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2cc(C)c3ccccc32)C1 ZINC001044040723 811431045 /nfs/dbraw/zinc/43/10/45/811431045.db2.gz SMXAOIUTNKKMDV-UHFFFAOYSA-N 1 2 297.402 2.278 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(C)c2C)C1 ZINC001044252296 811461605 /nfs/dbraw/zinc/46/16/05/811461605.db2.gz TWFPRCFSIFOVLK-UHFFFAOYSA-N 1 2 270.376 2.083 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OCC)cc2)C1 ZINC001044249430 811461679 /nfs/dbraw/zinc/46/16/79/811461679.db2.gz HFVNJTOIZPAKPW-UHFFFAOYSA-N 1 2 288.391 2.418 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001044334029 811471064 /nfs/dbraw/zinc/47/10/64/811471064.db2.gz CJDOMSPQVOKMHF-UHFFFAOYSA-N 1 2 278.421 2.318 20 30 CEEDLO C[C@H](CCCC#N)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001172500737 815455575 /nfs/dbraw/zinc/45/55/75/815455575.db2.gz OKPXKAAPHIEKJD-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO Cc1c[nH]c2nc(NC=CC(=O)C(F)(F)F)[nH+]cc12 ZINC001169477136 811524195 /nfs/dbraw/zinc/52/41/95/811524195.db2.gz WEBMKZYYSQEEAK-NSCUHMNNSA-N 1 2 270.214 2.275 20 30 CEEDLO C[C@H](CCCC#N)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001172500737 815455578 /nfs/dbraw/zinc/45/55/78/815455578.db2.gz OKPXKAAPHIEKJD-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO CC(=O)N1CC[C@H]([N@H+](CCC#N)Cc2ccccc2)C1 ZINC001169535548 811557840 /nfs/dbraw/zinc/55/78/40/811557840.db2.gz VOARTUKURIOIJX-INIZCTEOSA-N 1 2 271.364 2.023 20 30 CEEDLO CC(=O)N1CC[C@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001169535548 811557846 /nfs/dbraw/zinc/55/78/46/811557846.db2.gz VOARTUKURIOIJX-INIZCTEOSA-N 1 2 271.364 2.023 20 30 CEEDLO CCOC(=O)N1CCC[C@H]([NH2+][C@@](C)(C#N)CC)CC1 ZINC001169660021 811610926 /nfs/dbraw/zinc/61/09/26/811610926.db2.gz WIALBUHVUXYIDK-GXTWGEPZSA-N 1 2 267.373 2.279 20 30 CEEDLO Cc1nc(NCCCCCCNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001094931365 815481696 /nfs/dbraw/zinc/48/16/96/815481696.db2.gz HEHABQGOAUQNHO-GFCCVEGCSA-N 1 2 289.383 2.033 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC001112687748 812042765 /nfs/dbraw/zinc/04/27/65/812042765.db2.gz QIMBXLXSNTZNMD-UHFFFAOYSA-N 1 2 273.380 2.000 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC001112687732 812043767 /nfs/dbraw/zinc/04/37/67/812043767.db2.gz PQMJLIRPHFZLEG-UHFFFAOYSA-N 1 2 293.436 2.370 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096459086 812047292 /nfs/dbraw/zinc/04/72/92/812047292.db2.gz XSBQJBSBHXPFGY-UONOGXRCSA-N 1 2 288.395 2.082 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(C(=O)C#CC(C)C)CC2)cc1 ZINC001112831151 812081640 /nfs/dbraw/zinc/08/16/40/812081640.db2.gz SRLFPXIGTZGOHH-UHFFFAOYSA-N 1 2 284.403 2.299 20 30 CEEDLO C=CC[C@@](C)([NH2+][C@H](C)CCC(=O)OC(C)C)C(=O)OC ZINC001172748537 815502264 /nfs/dbraw/zinc/50/22/64/815502264.db2.gz DZWGBHAATUOAFZ-IUODEOHRSA-N 1 2 285.384 2.204 20 30 CEEDLO C=C(C)CCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112902773 812105717 /nfs/dbraw/zinc/10/57/17/812105717.db2.gz YRBMAACBDDUYGF-UHFFFAOYSA-N 1 2 282.428 2.160 20 30 CEEDLO COC(=O)Cc1ccc(NCc2ccc(C#N)c(F)c2)[nH+]c1 ZINC001170089358 812120110 /nfs/dbraw/zinc/12/01/10/812120110.db2.gz OOCWNYAMKVYZPQ-UHFFFAOYSA-N 1 2 299.305 2.420 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001113166716 812174164 /nfs/dbraw/zinc/17/41/64/812174164.db2.gz RVZQDVGCQWBOSM-MRXNPFEDSA-N 1 2 294.439 2.302 20 30 CEEDLO CC#CCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113261533 812198311 /nfs/dbraw/zinc/19/83/11/812198311.db2.gz GCCDQDXUQUKJOK-CHWSQXEVSA-N 1 2 288.395 2.284 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001113407125 812236950 /nfs/dbraw/zinc/23/69/50/812236950.db2.gz MHWMMASZSLEBJT-CYBMUJFWSA-N 1 2 252.402 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(CCOCC)CCCC2)CC1 ZINC001113458358 812244289 /nfs/dbraw/zinc/24/42/89/812244289.db2.gz CJXUMDJLRNRANF-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096784258 812274539 /nfs/dbraw/zinc/27/45/39/812274539.db2.gz YOQDCSUKWBFMEQ-ZDUSSCGKSA-N 1 2 288.395 2.304 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)COc2ccccc2)CC1 ZINC001113634725 812292607 /nfs/dbraw/zinc/29/26/07/812292607.db2.gz RUQIDRSKQCZYOX-OAHLLOKOSA-N 1 2 288.391 2.032 20 30 CEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cocn1 ZINC001054035662 812523232 /nfs/dbraw/zinc/52/32/32/812523232.db2.gz RHXPBWIVKMFNMG-HNNXBMFYSA-N 1 2 297.358 2.017 20 30 CEEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cocn1 ZINC001054035662 812523242 /nfs/dbraw/zinc/52/32/42/812523242.db2.gz RHXPBWIVKMFNMG-HNNXBMFYSA-N 1 2 297.358 2.017 20 30 CEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001054054820 812525720 /nfs/dbraw/zinc/52/57/20/812525720.db2.gz YFPFXKFJYMVXKP-ZTFGCOKTSA-N 1 2 296.414 2.209 20 30 CEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001054054820 812525724 /nfs/dbraw/zinc/52/57/24/812525724.db2.gz YFPFXKFJYMVXKP-ZTFGCOKTSA-N 1 2 296.414 2.209 20 30 CEEDLO C=C(CC)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001123609141 815536296 /nfs/dbraw/zinc/53/62/96/815536296.db2.gz YIFSSKPGWMEOMY-UHFFFAOYSA-N 1 2 287.407 2.339 20 30 CEEDLO C[C@H](Cc1c(F)cccc1Cl)N1CC[NH2+]C[C@H]1C#N ZINC001172848666 815536787 /nfs/dbraw/zinc/53/67/87/815536787.db2.gz ZJAHLJLWCZEELV-GHMZBOCLSA-N 1 2 281.762 2.207 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001131898675 812749725 /nfs/dbraw/zinc/74/97/25/812749725.db2.gz CKMRSEMOKTUUTL-TZMCWYRMSA-N 1 2 291.395 2.418 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001131898675 812749729 /nfs/dbraw/zinc/74/97/29/812749729.db2.gz CKMRSEMOKTUUTL-TZMCWYRMSA-N 1 2 291.395 2.418 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCF)CC[C@H]1C ZINC001132231560 812809008 /nfs/dbraw/zinc/80/90/08/812809008.db2.gz IFNQJJCHKPVOMG-VXGBXAGGSA-N 1 2 276.783 2.458 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCF)CC[C@H]1C ZINC001132231560 812809019 /nfs/dbraw/zinc/80/90/19/812809019.db2.gz IFNQJJCHKPVOMG-VXGBXAGGSA-N 1 2 276.783 2.458 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057726502 812968758 /nfs/dbraw/zinc/96/87/58/812968758.db2.gz MGNZUDOOVQWXNF-ZDUSSCGKSA-N 1 2 288.395 2.400 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001123852985 815566918 /nfs/dbraw/zinc/56/69/18/815566918.db2.gz XGQGJKFCJAWJQS-SWLSCSKDSA-N 1 2 289.354 2.208 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001123852985 815566919 /nfs/dbraw/zinc/56/69/19/815566919.db2.gz XGQGJKFCJAWJQS-SWLSCSKDSA-N 1 2 289.354 2.208 20 30 CEEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098088987 813196450 /nfs/dbraw/zinc/19/64/50/813196450.db2.gz JKNFAOPUPZZNJH-LLVKDONJSA-N 1 2 276.384 2.304 20 30 CEEDLO CCOC(=O)Cc1ccc(NCC(C)(C)S)[nH+]c1 ZINC001159266343 813333496 /nfs/dbraw/zinc/33/34/96/813333496.db2.gz FSWQKXYOEAWHGA-UHFFFAOYSA-N 1 2 268.382 2.308 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)CC[C@@H]1C ZINC001071392113 813389795 /nfs/dbraw/zinc/38/97/95/813389795.db2.gz RGXYIAHUULDDAA-JQWIXIFHSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)CC[C@@H]1C ZINC001071392113 813389804 /nfs/dbraw/zinc/38/98/04/813389804.db2.gz RGXYIAHUULDDAA-JQWIXIFHSA-N 1 2 296.802 2.053 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001074312959 813823312 /nfs/dbraw/zinc/82/33/12/813823312.db2.gz VJXPCNPHPTYCSJ-GJZGRUSLSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001074312959 813823319 /nfs/dbraw/zinc/82/33/19/813823319.db2.gz VJXPCNPHPTYCSJ-GJZGRUSLSA-N 1 2 292.423 2.076 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001074299682 813824312 /nfs/dbraw/zinc/82/43/12/813824312.db2.gz JBQPXDHOYFNKCC-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001074299682 813824322 /nfs/dbraw/zinc/82/43/22/813824322.db2.gz JBQPXDHOYFNKCC-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO CC(C)(C)[N@@H+](Cc1c(Cl)cccc1C#N)C[C@@H](O)CO ZINC001143717455 813865391 /nfs/dbraw/zinc/86/53/91/813865391.db2.gz FGNPVWQEJURBLO-GFCCVEGCSA-N 1 2 296.798 2.165 20 30 CEEDLO CC(C)(C)[N@H+](Cc1c(Cl)cccc1C#N)C[C@@H](O)CO ZINC001143717455 813865398 /nfs/dbraw/zinc/86/53/98/813865398.db2.gz FGNPVWQEJURBLO-GFCCVEGCSA-N 1 2 296.798 2.165 20 30 CEEDLO CC#CCCCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099636646 814020414 /nfs/dbraw/zinc/02/04/14/814020414.db2.gz PRFDWKNPIIGLOZ-CYBMUJFWSA-N 1 2 288.395 2.285 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144488097 814085621 /nfs/dbraw/zinc/08/56/21/814085621.db2.gz CXIGBQKHOLGGMH-UHFFFAOYSA-N 1 2 278.783 2.099 20 30 CEEDLO C=CCCC(=O)NCCCN(c1cc[nH+]c(C)n1)C(C)C ZINC001102091460 814360882 /nfs/dbraw/zinc/36/08/82/814360882.db2.gz IQLZYEXGRRMRSF-UHFFFAOYSA-N 1 2 290.411 2.472 20 30 CEEDLO CC[NH+](CC)c1ccc(C)c(N[C@@H]2C(=O)N(O)C[C@@H]2C)c1 ZINC001171369647 814673723 /nfs/dbraw/zinc/67/37/23/814673723.db2.gz XSJIHRSRBXVMCV-WFASDCNBSA-N 1 2 291.395 2.489 20 30 CEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173753650 815811365 /nfs/dbraw/zinc/81/13/65/815811365.db2.gz UXGWBKUOTHWMMC-BFHYXJOUSA-N 1 2 276.388 2.075 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001139030342 815946523 /nfs/dbraw/zinc/94/65/23/815946523.db2.gz JVMGMPXHIWDDPD-AWEZNQCLSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001139030342 815946528 /nfs/dbraw/zinc/94/65/28/815946528.db2.gz JVMGMPXHIWDDPD-AWEZNQCLSA-N 1 2 288.391 2.304 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2C#N)C[C@@H]1O ZINC001139687768 816083819 /nfs/dbraw/zinc/08/38/19/816083819.db2.gz YUPQIMCTKBNNAG-ZANVPECISA-N 1 2 250.729 2.024 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)C[C@@H]1O ZINC001139687768 816083824 /nfs/dbraw/zinc/08/38/24/816083824.db2.gz YUPQIMCTKBNNAG-ZANVPECISA-N 1 2 250.729 2.024 20 30 CEEDLO C[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)CCC1=O ZINC001139702313 816090424 /nfs/dbraw/zinc/09/04/24/816090424.db2.gz ZXPWZLMJZGQIRU-NSHDSACASA-N 1 2 267.332 2.450 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCC1=O ZINC001139702313 816090429 /nfs/dbraw/zinc/09/04/29/816090429.db2.gz ZXPWZLMJZGQIRU-NSHDSACASA-N 1 2 267.332 2.450 20 30 CEEDLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)cc1C#N ZINC001139722625 816094887 /nfs/dbraw/zinc/09/48/87/816094887.db2.gz DBQMWKKSJGGATC-AWEZNQCLSA-N 1 2 260.312 2.370 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)cc1C#N ZINC001139722625 816094896 /nfs/dbraw/zinc/09/48/96/816094896.db2.gz DBQMWKKSJGGATC-AWEZNQCLSA-N 1 2 260.312 2.370 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)cc1C#N ZINC001139722593 816095259 /nfs/dbraw/zinc/09/52/59/816095259.db2.gz CDWJCOOKHVIQGW-LSDHHAIUSA-N 1 2 262.328 2.162 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)cc1C#N ZINC001139722593 816095262 /nfs/dbraw/zinc/09/52/62/816095262.db2.gz CDWJCOOKHVIQGW-LSDHHAIUSA-N 1 2 262.328 2.162 20 30 CEEDLO Cc1nc(C#N)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174974008 816111367 /nfs/dbraw/zinc/11/13/67/816111367.db2.gz CQHXMIGQKLVZOJ-UHFFFAOYSA-N 1 2 295.346 2.237 20 30 CEEDLO Cc1cnc(Nc2ccc(N(C)C)[nH+]c2)c(C#N)c1 ZINC001175342706 816166958 /nfs/dbraw/zinc/16/69/58/816166958.db2.gz WLBVPPZYCUBKIQ-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO CSc1nccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC001140035267 816172433 /nfs/dbraw/zinc/17/24/33/816172433.db2.gz JEXFOFMAUDVESH-UHFFFAOYSA-N 1 2 262.382 2.324 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]2S1 ZINC001140063604 816182540 /nfs/dbraw/zinc/18/25/40/816182540.db2.gz TYRNPVGAVDXUDO-ZDUSSCGKSA-N 1 2 279.336 2.305 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]2S1 ZINC001140063604 816182545 /nfs/dbraw/zinc/18/25/45/816182545.db2.gz TYRNPVGAVDXUDO-ZDUSSCGKSA-N 1 2 279.336 2.305 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(F)c1 ZINC001140136354 816199157 /nfs/dbraw/zinc/19/91/57/816199157.db2.gz WUVXDLSMNILOMF-YPMHNXCESA-N 1 2 282.265 2.163 20 30 CEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(F)c1 ZINC001140136354 816199161 /nfs/dbraw/zinc/19/91/61/816199161.db2.gz WUVXDLSMNILOMF-YPMHNXCESA-N 1 2 282.265 2.163 20 30 CEEDLO C#Cc1cc(Nc2cccc(N3CCOCC3)c2)cc[nH+]1 ZINC001176014471 816325681 /nfs/dbraw/zinc/32/56/81/816325681.db2.gz OETSAQBXINWELU-UHFFFAOYSA-N 1 2 279.343 2.065 20 30 CEEDLO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccncn1 ZINC001140755757 816346574 /nfs/dbraw/zinc/34/65/74/816346574.db2.gz RMOYJLWYIPWQMG-UHFFFAOYSA-N 1 2 274.274 2.258 20 30 CEEDLO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccncn1 ZINC001140755757 816346580 /nfs/dbraw/zinc/34/65/80/816346580.db2.gz RMOYJLWYIPWQMG-UHFFFAOYSA-N 1 2 274.274 2.258 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926092 816412886 /nfs/dbraw/zinc/41/28/86/816412886.db2.gz ZGQCBUWGNMSPRG-UHFFFAOYSA-N 1 2 291.826 2.157 20 30 CEEDLO Cn1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)n1 ZINC001206302970 816555789 /nfs/dbraw/zinc/55/57/89/816555789.db2.gz DGGDORWBUMQVTM-UHFFFAOYSA-N 1 2 296.374 2.335 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc3cccnc3cc2F)CC1 ZINC001141631601 816572303 /nfs/dbraw/zinc/57/23/03/816572303.db2.gz SUUIWQKLCVEDFF-UHFFFAOYSA-N 1 2 283.350 2.125 20 30 CEEDLO C#CCN1CC[NH+](Cc2cc3cccnc3cc2F)CC1 ZINC001141631601 816572305 /nfs/dbraw/zinc/57/23/05/816572305.db2.gz SUUIWQKLCVEDFF-UHFFFAOYSA-N 1 2 283.350 2.125 20 30 CEEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177626003 816594654 /nfs/dbraw/zinc/59/46/54/816594654.db2.gz JEKLNKMRYFTYTN-HIFRSBDPSA-N 1 2 289.379 2.298 20 30 CEEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177626003 816594658 /nfs/dbraw/zinc/59/46/58/816594658.db2.gz JEKLNKMRYFTYTN-HIFRSBDPSA-N 1 2 289.379 2.298 20 30 CEEDLO CC(C)(NC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)cc1 ZINC001177998452 816657172 /nfs/dbraw/zinc/65/71/72/816657172.db2.gz SLOQGSHNWCLNNM-UHFFFAOYSA-N 1 2 282.347 2.265 20 30 CEEDLO Cn1nc(-c2ccccc2)cc1C[NH+]1CC(CC#N)C1 ZINC001143003881 816767855 /nfs/dbraw/zinc/76/78/55/816767855.db2.gz BEUOAYZOGBDAGM-UHFFFAOYSA-N 1 2 266.348 2.433 20 30 CEEDLO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178746234 816791128 /nfs/dbraw/zinc/79/11/28/816791128.db2.gz DNRXWDVGGUBWBN-GARJFASQSA-N 1 2 296.308 2.432 20 30 CEEDLO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001178746234 816791135 /nfs/dbraw/zinc/79/11/35/816791135.db2.gz DNRXWDVGGUBWBN-GARJFASQSA-N 1 2 296.308 2.432 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000336244460 365533556 /nfs/dbraw/zinc/53/35/56/365533556.db2.gz NVKQQDXDPIEINN-IAQYHMDHSA-N 1 2 266.304 2.361 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000336329355 365557493 /nfs/dbraw/zinc/55/74/93/365557493.db2.gz HHBYTGWQGBXULT-LBPRGKRZSA-N 1 2 291.782 2.144 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)c2[nH+]ccn21 ZINC000601618068 346862562 /nfs/dbraw/zinc/86/25/62/346862562.db2.gz XAAIOKUXGAMLGA-WDEREUQCSA-N 1 2 270.336 2.089 20 30 CEEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000125930406 365691380 /nfs/dbraw/zinc/69/13/80/365691380.db2.gz ODSCZSBWKVABMT-CYBMUJFWSA-N 1 2 297.420 2.116 20 30 CEEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000125930406 365691387 /nfs/dbraw/zinc/69/13/87/365691387.db2.gz ODSCZSBWKVABMT-CYBMUJFWSA-N 1 2 297.420 2.116 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042454430 362097198 /nfs/dbraw/zinc/09/71/98/362097198.db2.gz XYNBHPHLHIWIMY-LBPRGKRZSA-N 1 2 251.374 2.059 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042454430 362097203 /nfs/dbraw/zinc/09/72/03/362097203.db2.gz XYNBHPHLHIWIMY-LBPRGKRZSA-N 1 2 251.374 2.059 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)N1CCc2ccccc21 ZINC000046438306 362182320 /nfs/dbraw/zinc/18/23/20/362182320.db2.gz OLQAOKDZXKCCOZ-UHFFFAOYSA-N 1 2 256.349 2.250 20 30 CEEDLO N#CCC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601966972 346945282 /nfs/dbraw/zinc/94/52/82/346945282.db2.gz GRRNPRWDPQHEDO-LLVKDONJSA-N 1 2 258.243 2.242 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cccc(OCCOC)c1 ZINC000127600363 365754848 /nfs/dbraw/zinc/75/48/48/365754848.db2.gz SWAVVAOJGFAOCO-UHFFFAOYSA-N 1 2 262.353 2.447 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cccc(OCCOC)c1 ZINC000127600363 365754851 /nfs/dbraw/zinc/75/48/51/365754851.db2.gz SWAVVAOJGFAOCO-UHFFFAOYSA-N 1 2 262.353 2.447 20 30 CEEDLO N#CCCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128212110 365779438 /nfs/dbraw/zinc/77/94/38/365779438.db2.gz AUXBHVHUMDDFSE-UHFFFAOYSA-N 1 2 293.330 2.142 20 30 CEEDLO C=CC[N@H+](CC(=O)N1CCCC1)Cc1cccc(C#N)c1 ZINC000063388270 343676455 /nfs/dbraw/zinc/67/64/55/343676455.db2.gz ZXHRJVIIWVFFAO-UHFFFAOYSA-N 1 2 283.375 2.169 20 30 CEEDLO C=CC[N@@H+](CC(=O)N1CCCC1)Cc1cccc(C#N)c1 ZINC000063388270 343676456 /nfs/dbraw/zinc/67/64/56/343676456.db2.gz ZXHRJVIIWVFFAO-UHFFFAOYSA-N 1 2 283.375 2.169 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000066469479 343715147 /nfs/dbraw/zinc/71/51/47/343715147.db2.gz RTYVQQLSVNFMLP-NEPJUHHUSA-N 1 2 291.420 2.113 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000066469479 343715148 /nfs/dbraw/zinc/71/51/48/343715148.db2.gz RTYVQQLSVNFMLP-NEPJUHHUSA-N 1 2 291.420 2.113 20 30 CEEDLO N#Cc1c(F)cccc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000602016118 346959867 /nfs/dbraw/zinc/95/98/67/346959867.db2.gz VCFVZUUDXAAAEI-VIFPVBQESA-N 1 2 276.233 2.100 20 30 CEEDLO N#CC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCCC1 ZINC000068255197 343759174 /nfs/dbraw/zinc/75/91/74/343759174.db2.gz HSWKAZUUXJHHFQ-UHFFFAOYSA-N 1 2 283.375 2.202 20 30 CEEDLO CC(C)C[C@H](C(=O)N(C)[C@H](C)CC#N)n1cc[nH+]c1 ZINC000602092482 346972039 /nfs/dbraw/zinc/97/20/39/346972039.db2.gz HQXBMYVMCWHVJE-CHWSQXEVSA-N 1 2 262.357 2.231 20 30 CEEDLO CN(CC1CCCCC1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352462975 529864442 /nfs/dbraw/zinc/86/44/42/529864442.db2.gz HDLKQNDWJYXURF-UHFFFAOYSA-N 1 2 295.402 2.353 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602142998 346981258 /nfs/dbraw/zinc/98/12/58/346981258.db2.gz PFEJADBYAFRFCD-GHMZBOCLSA-N 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C[N@@H+](CC(=O)NC1CCCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602974931 347261552 /nfs/dbraw/zinc/26/15/52/347261552.db2.gz VYNJMMDTJFMEEJ-UKRRQHHQSA-N 1 2 277.412 2.449 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602978569 347262966 /nfs/dbraw/zinc/26/29/66/347262966.db2.gz SKWHPGLJYMTOOY-HZPDHXFCSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602978569 347262968 /nfs/dbraw/zinc/26/29/68/347262968.db2.gz SKWHPGLJYMTOOY-HZPDHXFCSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)nc12 ZINC000602978468 347263250 /nfs/dbraw/zinc/26/32/50/347263250.db2.gz QYVOESVYCBBJOT-ZFWWWQNUSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)nc12 ZINC000602978468 347263255 /nfs/dbraw/zinc/26/32/55/347263255.db2.gz QYVOESVYCBBJOT-ZFWWWQNUSA-N 1 2 296.374 2.127 20 30 CEEDLO CN(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602981617 347265085 /nfs/dbraw/zinc/26/50/85/347265085.db2.gz GVTTUXMMRNDHOZ-KGLIPLIRSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602981617 347265087 /nfs/dbraw/zinc/26/50/87/347265087.db2.gz GVTTUXMMRNDHOZ-KGLIPLIRSA-N 1 2 258.369 2.272 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000603834683 347391101 /nfs/dbraw/zinc/39/11/01/347391101.db2.gz ZPIXNALBZOWYFR-GJZGRUSLSA-N 1 2 283.379 2.408 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000603834683 347391105 /nfs/dbraw/zinc/39/11/05/347391105.db2.gz ZPIXNALBZOWYFR-GJZGRUSLSA-N 1 2 283.379 2.408 20 30 CEEDLO N#Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c[nH]1 ZINC000351846482 219224050 /nfs/dbraw/zinc/22/40/50/219224050.db2.gz SCFVADYYMYPSBG-UHFFFAOYSA-N 1 2 277.287 2.324 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000129829183 365897975 /nfs/dbraw/zinc/89/79/75/365897975.db2.gz KFNOWVIFNQUEHQ-CYBMUJFWSA-N 1 2 290.363 2.209 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000129829183 365897979 /nfs/dbraw/zinc/89/79/79/365897979.db2.gz KFNOWVIFNQUEHQ-CYBMUJFWSA-N 1 2 290.363 2.209 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)CC(C)C ZINC000608824485 347621111 /nfs/dbraw/zinc/62/11/11/347621111.db2.gz OIPHJGIAQIZNAT-CYBMUJFWSA-N 1 2 284.363 2.399 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000608918484 347623726 /nfs/dbraw/zinc/62/37/26/347623726.db2.gz NGAXMZHENXBDEX-QWHCGFSZSA-N 1 2 260.337 2.308 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000608918484 347623730 /nfs/dbraw/zinc/62/37/30/347623730.db2.gz NGAXMZHENXBDEX-QWHCGFSZSA-N 1 2 260.337 2.308 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000609485893 347640394 /nfs/dbraw/zinc/64/03/94/347640394.db2.gz ZMTJJEHVYPCHPJ-OAHLLOKOSA-N 1 2 298.390 2.494 20 30 CEEDLO C[C@@](CO)([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000609806881 347651611 /nfs/dbraw/zinc/65/16/11/347651611.db2.gz GTADKOBNGJNTTQ-LBPRGKRZSA-N 1 2 272.270 2.416 20 30 CEEDLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000611396261 347773201 /nfs/dbraw/zinc/77/32/01/347773201.db2.gz OCXSCYUFYIBCSR-LBPRGKRZSA-N 1 2 297.362 2.194 20 30 CEEDLO Cc1cnc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)s1 ZINC000610994994 347730050 /nfs/dbraw/zinc/73/00/50/347730050.db2.gz QYDRAZRZYITUAV-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CC[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)C[C@H](C)C#N ZINC000611260961 347759944 /nfs/dbraw/zinc/75/99/44/347759944.db2.gz KRKZTOZDWNJNED-GFCCVEGCSA-N 1 2 295.408 2.040 20 30 CEEDLO CC[N@H+](Cc1cccc(NS(C)(=O)=O)c1)C[C@H](C)C#N ZINC000611260961 347759949 /nfs/dbraw/zinc/75/99/49/347759949.db2.gz KRKZTOZDWNJNED-GFCCVEGCSA-N 1 2 295.408 2.040 20 30 CEEDLO C[C@H](N[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000611586596 347797618 /nfs/dbraw/zinc/79/76/18/347797618.db2.gz FOJCCPOHRUKKGM-AAEUAGOBSA-N 1 2 261.344 2.442 20 30 CEEDLO C[C@H](N[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000611586596 347797621 /nfs/dbraw/zinc/79/76/21/347797621.db2.gz FOJCCPOHRUKKGM-AAEUAGOBSA-N 1 2 261.344 2.442 20 30 CEEDLO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)CC#N)c1 ZINC000611727873 347809981 /nfs/dbraw/zinc/80/99/81/347809981.db2.gz NYOJAFUWJCFDMK-VIFPVBQESA-N 1 2 250.273 2.004 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612161937 347851253 /nfs/dbraw/zinc/85/12/53/347851253.db2.gz HHHCJSDFBZOQTJ-INIZCTEOSA-N 1 2 271.364 2.172 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612161937 347851256 /nfs/dbraw/zinc/85/12/56/347851256.db2.gz HHHCJSDFBZOQTJ-INIZCTEOSA-N 1 2 271.364 2.172 20 30 CEEDLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161326 347851460 /nfs/dbraw/zinc/85/14/60/347851460.db2.gz BYYYJQAAHJAKQH-ZFWWWQNUSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161326 347851464 /nfs/dbraw/zinc/85/14/64/347851464.db2.gz BYYYJQAAHJAKQH-ZFWWWQNUSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161323 347851516 /nfs/dbraw/zinc/85/15/16/347851516.db2.gz BYYYJQAAHJAKQH-HIFRSBDPSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161323 347851519 /nfs/dbraw/zinc/85/15/19/347851519.db2.gz BYYYJQAAHJAKQH-HIFRSBDPSA-N 1 2 263.385 2.013 20 30 CEEDLO Cc1cccn2cc(CC(=O)N3CCC[C@](C)(C#N)C3)[nH+]c12 ZINC000612364201 347874478 /nfs/dbraw/zinc/87/44/78/347874478.db2.gz FXYBJPMCZQFNSN-QGZVFWFLSA-N 1 2 296.374 2.338 20 30 CEEDLO C[C@]1(C#N)CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000612367890 347874941 /nfs/dbraw/zinc/87/49/41/347874941.db2.gz SRBJRHISVBSWKD-OAHLLOKOSA-N 1 2 268.320 2.100 20 30 CEEDLO CCC#C[C@@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000613586204 348074836 /nfs/dbraw/zinc/07/48/36/348074836.db2.gz POQKTCRDMANQHZ-DYVFJYSZSA-N 1 2 255.427 2.411 20 30 CEEDLO CCC#C[C@@H](C)[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000613586204 348074838 /nfs/dbraw/zinc/07/48/38/348074838.db2.gz POQKTCRDMANQHZ-DYVFJYSZSA-N 1 2 255.427 2.411 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000614403119 348194428 /nfs/dbraw/zinc/19/44/28/348194428.db2.gz FIKQOGYAHMDKSC-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000614403119 348194430 /nfs/dbraw/zinc/19/44/30/348194430.db2.gz FIKQOGYAHMDKSC-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000614403119 348194434 /nfs/dbraw/zinc/19/44/34/348194434.db2.gz FIKQOGYAHMDKSC-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000614403119 348194437 /nfs/dbraw/zinc/19/44/37/348194437.db2.gz FIKQOGYAHMDKSC-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(OC)ccc1OC ZINC000066215714 362857008 /nfs/dbraw/zinc/85/70/08/362857008.db2.gz MLZYDSQOGQZIGB-UHFFFAOYSA-N 1 2 290.363 2.316 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000066565993 362873516 /nfs/dbraw/zinc/87/35/16/362873516.db2.gz ZOUBUZLXRUIVJA-CYBMUJFWSA-N 1 2 293.436 2.472 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565993 362873524 /nfs/dbraw/zinc/87/35/24/362873524.db2.gz ZOUBUZLXRUIVJA-CYBMUJFWSA-N 1 2 293.436 2.472 20 30 CEEDLO Cc1ccnc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000616768722 348573112 /nfs/dbraw/zinc/57/31/12/348573112.db2.gz FWRUSYPTMXKZEI-MRXNPFEDSA-N 1 2 272.396 2.056 20 30 CEEDLO CN(CCO)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)[nH+]c1 ZINC000618573126 348979766 /nfs/dbraw/zinc/97/97/66/348979766.db2.gz KJWFAFLEPQKMPC-CHWSQXEVSA-N 1 2 274.368 2.004 20 30 CEEDLO COc1ccc(NCc2ccc(C#N)c(OC)c2)[nH+]c1 ZINC000619654567 349210128 /nfs/dbraw/zinc/21/01/28/349210128.db2.gz KBMDQCFGLPUDMK-UHFFFAOYSA-N 1 2 269.304 2.004 20 30 CEEDLO C=C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)OC ZINC000619700541 349221171 /nfs/dbraw/zinc/22/11/71/349221171.db2.gz AWLRIWYEFVSGME-JYJNAYRXSA-N 1 2 289.375 2.472 20 30 CEEDLO C=C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000619703132 349224061 /nfs/dbraw/zinc/22/40/61/349224061.db2.gz FMVHFDARZNVQLQ-OLZOCXBDSA-N 1 2 267.369 2.186 20 30 CEEDLO C=C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)C(=O)OC ZINC000619704310 349224783 /nfs/dbraw/zinc/22/47/83/349224783.db2.gz CTBZBTOLQLXIOV-ZBFHGGJFSA-N 1 2 288.391 2.220 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccccc1Cl ZINC000619715727 349226198 /nfs/dbraw/zinc/22/61/98/349226198.db2.gz DXEMQOIKTLGDIP-GFCCVEGCSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccccc1Cl ZINC000619715727 349226202 /nfs/dbraw/zinc/22/62/02/349226202.db2.gz DXEMQOIKTLGDIP-GFCCVEGCSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000619720324 349229124 /nfs/dbraw/zinc/22/91/24/349229124.db2.gz BSRMZHJZDNIKNK-ZIAGYGMSSA-N 1 2 285.347 2.011 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000619720324 349229129 /nfs/dbraw/zinc/22/91/29/349229129.db2.gz BSRMZHJZDNIKNK-ZIAGYGMSSA-N 1 2 285.347 2.011 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000619720376 349229325 /nfs/dbraw/zinc/22/93/25/349229325.db2.gz FKCNBUNUFHBIFX-HNNXBMFYSA-N 1 2 274.364 2.297 20 30 CEEDLO N#CC1(C[NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000619535213 349195504 /nfs/dbraw/zinc/19/55/04/349195504.db2.gz NJFKRQUAGHFSLL-UHFFFAOYSA-N 1 2 255.243 2.494 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271216587 191006671 /nfs/dbraw/zinc/00/66/71/191006671.db2.gz IXPHGTJJFUVQOP-NSHDSACASA-N 1 2 255.321 2.089 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271216587 191006674 /nfs/dbraw/zinc/00/66/74/191006674.db2.gz IXPHGTJJFUVQOP-NSHDSACASA-N 1 2 255.321 2.089 20 30 CEEDLO N#Cc1ccncc1NCc1cn2c([nH+]1)CCCC2 ZINC000271254774 191031749 /nfs/dbraw/zinc/03/17/49/191031749.db2.gz JRVUQSACXCOODH-UHFFFAOYSA-N 1 2 253.309 2.098 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000623989979 350162908 /nfs/dbraw/zinc/16/29/08/350162908.db2.gz OQZVYQUNSHSMHZ-CYBMUJFWSA-N 1 2 261.369 2.179 20 30 CEEDLO CC[C@H](F)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000352200535 219357755 /nfs/dbraw/zinc/35/77/55/219357755.db2.gz MHSKIBAUNYIVIH-NSHDSACASA-N 1 2 282.388 2.193 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000573860008 334972394 /nfs/dbraw/zinc/97/23/94/334972394.db2.gz BZJXEYWEFHOCNG-LBPRGKRZSA-N 1 2 290.754 2.432 20 30 CEEDLO C=CC(C)(C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000628315047 351059229 /nfs/dbraw/zinc/05/92/29/351059229.db2.gz XKIAXAIELGYZSL-GFCCVEGCSA-N 1 2 261.369 2.164 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2csc(C)n2)C1=O ZINC000337199487 366071993 /nfs/dbraw/zinc/07/19/93/366071993.db2.gz DPRPBTVTJQEJLR-KBPBESRZSA-N 1 2 291.420 2.375 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2csc(C)n2)C1=O ZINC000337199487 366071997 /nfs/dbraw/zinc/07/19/97/366071997.db2.gz DPRPBTVTJQEJLR-KBPBESRZSA-N 1 2 291.420 2.375 20 30 CEEDLO C=C(C)COCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631167130 351996368 /nfs/dbraw/zinc/99/63/68/351996368.db2.gz RIGGQRYQWWDXQT-UHFFFAOYSA-N 1 2 272.352 2.262 20 30 CEEDLO COc1cccc(N2CC[NH+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000072589923 363147510 /nfs/dbraw/zinc/14/75/10/363147510.db2.gz NNWZQVJVRBYQAA-OAHLLOKOSA-N 1 2 298.390 2.261 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000072906534 363181107 /nfs/dbraw/zinc/18/11/07/363181107.db2.gz NZLJDRIPXVZVLW-UHFFFAOYSA-N 1 2 279.339 2.424 20 30 CEEDLO N#Cc1cc(Cl)ccc1CN1CCn2cc[nH+]c2C1 ZINC000336464532 213333259 /nfs/dbraw/zinc/33/32/59/213333259.db2.gz MLYQVJFQHARZHK-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153320239 188076463 /nfs/dbraw/zinc/07/64/63/188076463.db2.gz GXRDLPPNTJUASY-AWEZNQCLSA-N 1 2 288.395 2.268 20 30 CEEDLO C=CCN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000153674321 188096514 /nfs/dbraw/zinc/09/65/14/188096514.db2.gz JNYHHCAGJTWWCA-UHFFFAOYSA-N 1 2 274.368 2.009 20 30 CEEDLO Cc1cc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000155545522 188212502 /nfs/dbraw/zinc/21/25/02/188212502.db2.gz BQSGGBUEIDVAOL-HNNXBMFYSA-N 1 2 271.320 2.020 20 30 CEEDLO Cc1cc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000155545522 188212503 /nfs/dbraw/zinc/21/25/03/188212503.db2.gz BQSGGBUEIDVAOL-HNNXBMFYSA-N 1 2 271.320 2.020 20 30 CEEDLO CC1(C)COCC[N@@H+]1CCNc1c(F)cc(C#N)cc1F ZINC000170869385 188700166 /nfs/dbraw/zinc/70/01/66/188700166.db2.gz ZPWOCIAKPVNQDC-UHFFFAOYSA-N 1 2 295.333 2.359 20 30 CEEDLO CC1(C)COCC[N@H+]1CCNc1c(F)cc(C#N)cc1F ZINC000170869385 188700167 /nfs/dbraw/zinc/70/01/67/188700167.db2.gz ZPWOCIAKPVNQDC-UHFFFAOYSA-N 1 2 295.333 2.359 20 30 CEEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccno2)CC1 ZINC000367064545 283049608 /nfs/dbraw/zinc/04/96/08/283049608.db2.gz DLGWXYXECUOCDG-UHFFFAOYSA-N 1 2 268.320 2.127 20 30 CEEDLO C=CC[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000075006401 363433696 /nfs/dbraw/zinc/43/36/96/363433696.db2.gz TVUXOKLNIIEKOU-NSHDSACASA-N 1 2 253.346 2.421 20 30 CEEDLO C=CC[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000075006401 363433698 /nfs/dbraw/zinc/43/36/98/363433698.db2.gz TVUXOKLNIIEKOU-NSHDSACASA-N 1 2 253.346 2.421 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn21 ZINC000569903718 299224425 /nfs/dbraw/zinc/22/44/25/299224425.db2.gz YYORJGUGWSRBQA-PSASIEDQSA-N 1 2 272.333 2.252 20 30 CEEDLO C=CCN(CC=C)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173421201 188853767 /nfs/dbraw/zinc/85/37/67/188853767.db2.gz CMAFWUTZBYZVSR-UHFFFAOYSA-N 1 2 279.409 2.168 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291900679 283150398 /nfs/dbraw/zinc/15/03/98/283150398.db2.gz RDFGHLDJOLIYEO-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291900679 283150403 /nfs/dbraw/zinc/15/04/03/283150403.db2.gz RDFGHLDJOLIYEO-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273709032 192271722 /nfs/dbraw/zinc/27/17/22/192271722.db2.gz PLMMHVNWHWHLHM-WDEREUQCSA-N 1 2 296.440 2.310 20 30 CEEDLO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000075701441 363484811 /nfs/dbraw/zinc/48/48/11/363484811.db2.gz CXZJVZHNWMHUPQ-UHFFFAOYSA-N 1 2 269.348 2.422 20 30 CEEDLO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000075701441 363484817 /nfs/dbraw/zinc/48/48/17/363484817.db2.gz CXZJVZHNWMHUPQ-UHFFFAOYSA-N 1 2 269.348 2.422 20 30 CEEDLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(C#N)cc1 ZINC000338346981 366308241 /nfs/dbraw/zinc/30/82/41/366308241.db2.gz DEZFGQGDRWCEKR-JTQLQIEISA-N 1 2 267.336 2.405 20 30 CEEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286484588 283210798 /nfs/dbraw/zinc/21/07/98/283210798.db2.gz OPQHKUWCALMJMD-CYBMUJFWSA-N 1 2 296.317 2.293 20 30 CEEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286484588 283210801 /nfs/dbraw/zinc/21/08/01/283210801.db2.gz OPQHKUWCALMJMD-CYBMUJFWSA-N 1 2 296.317 2.293 20 30 CEEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccccc3C2)CCCCC1 ZINC000032830769 540291832 /nfs/dbraw/zinc/29/18/32/540291832.db2.gz AUNKXIPSENJUOM-UHFFFAOYSA-N 1 2 297.402 2.387 20 30 CEEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000032830769 540291834 /nfs/dbraw/zinc/29/18/34/540291834.db2.gz AUNKXIPSENJUOM-UHFFFAOYSA-N 1 2 297.402 2.387 20 30 CEEDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(C#N)n1 ZINC000602487899 540331815 /nfs/dbraw/zinc/33/18/15/540331815.db2.gz WTCGYNAAEPRWPS-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(C#N)n1 ZINC000602487899 540331818 /nfs/dbraw/zinc/33/18/18/540331818.db2.gz WTCGYNAAEPRWPS-NRFANRHFSA-N 1 2 299.399 2.323 20 30 CEEDLO C=CCOCCCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000079461729 363604715 /nfs/dbraw/zinc/60/47/15/363604715.db2.gz XXZMLXYYCHGVPH-UHFFFAOYSA-N 1 2 286.335 2.189 20 30 CEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCS1 ZINC000135439514 366439291 /nfs/dbraw/zinc/43/92/91/366439291.db2.gz XOBYVESCRXNSPF-AWEZNQCLSA-N 1 2 289.404 2.324 20 30 CEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCS1 ZINC000135439514 366439292 /nfs/dbraw/zinc/43/92/92/366439292.db2.gz XOBYVESCRXNSPF-AWEZNQCLSA-N 1 2 289.404 2.324 20 30 CEEDLO N#Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000338639197 366451254 /nfs/dbraw/zinc/45/12/54/366451254.db2.gz OGEKYBRKOMRYBU-UHFFFAOYSA-N 1 2 263.304 2.484 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)o1 ZINC000136864312 366529485 /nfs/dbraw/zinc/52/94/85/366529485.db2.gz FMZFZIXQXDOOAR-UHFFFAOYSA-N 1 2 274.242 2.040 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000080059012 363641801 /nfs/dbraw/zinc/64/18/01/363641801.db2.gz GSXDRUHRFPPDPM-LBPRGKRZSA-N 1 2 284.363 2.353 20 30 CEEDLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000297361795 200164079 /nfs/dbraw/zinc/16/40/79/200164079.db2.gz GSZPAROTUVEVAG-UHFFFAOYSA-N 1 2 278.377 2.393 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341706466 216075156 /nfs/dbraw/zinc/07/51/56/216075156.db2.gz JWNYDMNDXJHFQY-HNNXBMFYSA-N 1 2 294.358 2.481 20 30 CEEDLO C[C@@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)c1ccc(C#N)cc1 ZINC000298305334 200389845 /nfs/dbraw/zinc/38/98/45/200389845.db2.gz QSWNXFDPSLMUEQ-NWDGAFQWSA-N 1 2 297.362 2.314 20 30 CEEDLO C[C@@H](Nc1cc(NC[C@H](C)O)nc[nH+]1)c1ccc(C#N)cc1 ZINC000298305334 200389846 /nfs/dbraw/zinc/38/98/46/200389846.db2.gz QSWNXFDPSLMUEQ-NWDGAFQWSA-N 1 2 297.362 2.314 20 30 CEEDLO N#Cc1cccc(OCCCOCc2[nH]cc[nH+]2)c1 ZINC000180038891 189234133 /nfs/dbraw/zinc/23/41/33/189234133.db2.gz WQFMYWPAJIPSFD-UHFFFAOYSA-N 1 2 257.293 2.267 20 30 CEEDLO CN1CCC[C@H]([NH2+]Cc2ncc(C#N)cn2)c2ccccc21 ZINC000581657312 366807022 /nfs/dbraw/zinc/80/70/22/366807022.db2.gz LWQSYQYTYLTFTG-HNNXBMFYSA-N 1 2 293.374 2.409 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000581022318 366782526 /nfs/dbraw/zinc/78/25/26/366782526.db2.gz ROCGKHFAQONWKP-CQSZACIVSA-N 1 2 299.334 2.149 20 30 CEEDLO N#Cc1ccc(Oc2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000301876299 201244212 /nfs/dbraw/zinc/24/42/12/201244212.db2.gz NDNJMXQUZYIICB-UHFFFAOYSA-N 1 2 263.260 2.326 20 30 CEEDLO Cc1cc([NH+](C)C)ccc1Nc1ccc(C#N)nn1 ZINC000301949818 201274117 /nfs/dbraw/zinc/27/41/17/201274117.db2.gz ZDOIFKRPIVEDAZ-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1C#N ZINC000087833333 363871929 /nfs/dbraw/zinc/87/19/29/363871929.db2.gz IMNCIEZTDJDENU-HOCLYGCPSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1C#N ZINC000087833333 363871931 /nfs/dbraw/zinc/87/19/31/363871931.db2.gz IMNCIEZTDJDENU-HOCLYGCPSA-N 1 2 272.348 2.320 20 30 CEEDLO N#Cc1ccc(CC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000334651014 364134649 /nfs/dbraw/zinc/13/46/49/364134649.db2.gz MNRIHPQXPJNSGD-UHFFFAOYSA-N 1 2 280.331 2.272 20 30 CEEDLO Cc1cc(NCc2nnc(C3CC3)s2)c(C#N)c[nH+]1 ZINC000581999224 366846925 /nfs/dbraw/zinc/84/69/25/366846925.db2.gz DMSHHULIHOGZSR-UHFFFAOYSA-N 1 2 271.349 2.025 20 30 CEEDLO CCOC(=O)C(C)(C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000112356300 364798614 /nfs/dbraw/zinc/79/86/14/364798614.db2.gz AAWFZEASSNINET-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO CCOC(=O)C(C)(C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000112356300 364798619 /nfs/dbraw/zinc/79/86/19/364798619.db2.gz AAWFZEASSNINET-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccncc1)Cc1ccc(F)cc1 ZINC000112559155 364815243 /nfs/dbraw/zinc/81/52/43/364815243.db2.gz AFELCXIWRWTVSG-UHFFFAOYSA-N 1 2 297.333 2.295 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccncc1)Cc1ccc(F)cc1 ZINC000112559155 364815249 /nfs/dbraw/zinc/81/52/49/364815249.db2.gz AFELCXIWRWTVSG-UHFFFAOYSA-N 1 2 297.333 2.295 20 30 CEEDLO Cc1noc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000112559890 364816214 /nfs/dbraw/zinc/81/62/14/364816214.db2.gz BQHBWVIUXWYXBW-STQMWFEESA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1noc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000112559890 364816218 /nfs/dbraw/zinc/81/62/18/364816218.db2.gz BQHBWVIUXWYXBW-STQMWFEESA-N 1 2 273.340 2.001 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)c(O)co1 ZINC000112661689 364824063 /nfs/dbraw/zinc/82/40/63/364824063.db2.gz CPGAJJLKVDEZMU-UHFFFAOYSA-N 1 2 296.326 2.405 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)c(O)co1 ZINC000112661689 364824067 /nfs/dbraw/zinc/82/40/67/364824067.db2.gz CPGAJJLKVDEZMU-UHFFFAOYSA-N 1 2 296.326 2.405 20 30 CEEDLO C=C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000335899901 365135588 /nfs/dbraw/zinc/13/55/88/365135588.db2.gz UQBSAWSPIICGCV-HUUCEWRRSA-N 1 2 285.391 2.333 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335574921 212285497 /nfs/dbraw/zinc/28/54/97/212285497.db2.gz MKEBYFBGLAPXFG-LBPRGKRZSA-N 1 2 295.346 2.269 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117758205 365122590 /nfs/dbraw/zinc/12/25/90/365122590.db2.gz KCMSOETUYDWWEF-ZDUSSCGKSA-N 1 2 282.347 2.494 20 30 CEEDLO N#CCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119256850 365243533 /nfs/dbraw/zinc/24/35/33/365243533.db2.gz LDQCRAGEDDMQPF-HNNXBMFYSA-N 1 2 272.348 2.264 20 30 CEEDLO N#CCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119256850 365243538 /nfs/dbraw/zinc/24/35/38/365243538.db2.gz LDQCRAGEDDMQPF-HNNXBMFYSA-N 1 2 272.348 2.264 20 30 CEEDLO COc1cccc([C@H]2C[N@H+](CCCC#N)CCO2)c1 ZINC000119473853 365277967 /nfs/dbraw/zinc/27/79/67/365277967.db2.gz DSWQTLKVNCDMTB-OAHLLOKOSA-N 1 2 260.337 2.372 20 30 CEEDLO COc1cccc([C@H]2C[N@@H+](CCCC#N)CCO2)c1 ZINC000119473853 365277974 /nfs/dbraw/zinc/27/79/74/365277974.db2.gz DSWQTLKVNCDMTB-OAHLLOKOSA-N 1 2 260.337 2.372 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000119944587 365348798 /nfs/dbraw/zinc/34/87/98/365348798.db2.gz LYCUOQAGRDORKV-UHFFFAOYSA-N 1 2 286.331 2.255 20 30 CEEDLO C=CC[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000119944587 365348816 /nfs/dbraw/zinc/34/88/16/365348816.db2.gz LYCUOQAGRDORKV-UHFFFAOYSA-N 1 2 286.331 2.255 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncn(C)n1 ZINC000275757020 193121365 /nfs/dbraw/zinc/12/13/65/193121365.db2.gz RIMBBBJNHFIPML-WDEREUQCSA-N 1 2 255.325 2.099 20 30 CEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000336112711 365425036 /nfs/dbraw/zinc/42/50/36/365425036.db2.gz VJBXKICDCCCNDY-AWEZNQCLSA-N 1 2 297.362 2.470 20 30 CEEDLO N#Cc1c(F)cccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000336115470 365429306 /nfs/dbraw/zinc/42/93/06/365429306.db2.gz QDKZNOXABKCUOS-UHFFFAOYSA-N 1 2 284.281 2.289 20 30 CEEDLO N#Cc1ccncc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000340784033 367028224 /nfs/dbraw/zinc/02/82/24/367028224.db2.gz YZIHKSUREIGIJW-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO Cc1csc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C#N ZINC000583850547 367104873 /nfs/dbraw/zinc/10/48/73/367104873.db2.gz YXPJWYMIRSFYHP-JTQLQIEISA-N 1 2 289.364 2.335 20 30 CEEDLO C[C@@H]1CCCN1C(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000357929168 370839091 /nfs/dbraw/zinc/83/90/91/370839091.db2.gz SOJXWULEFKRSFT-CQSZACIVSA-N 1 2 289.379 2.396 20 30 CEEDLO C[C@@H]1CCCN1C(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000357929168 370839097 /nfs/dbraw/zinc/83/90/97/370839097.db2.gz SOJXWULEFKRSFT-CQSZACIVSA-N 1 2 289.379 2.396 20 30 CEEDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000588628873 367194347 /nfs/dbraw/zinc/19/43/47/367194347.db2.gz QJBWKZWGAJWZMX-LLVKDONJSA-N 1 2 268.320 2.091 20 30 CEEDLO CC(C)C[N@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000162892173 367200965 /nfs/dbraw/zinc/20/09/65/367200965.db2.gz PRIUWPKHGMMJKT-UHFFFAOYSA-N 1 2 279.771 2.155 20 30 CEEDLO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000162892173 367200968 /nfs/dbraw/zinc/20/09/68/367200968.db2.gz PRIUWPKHGMMJKT-UHFFFAOYSA-N 1 2 279.771 2.155 20 30 CEEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602865440 367217406 /nfs/dbraw/zinc/21/74/06/367217406.db2.gz YDAIEHXQNRGJQV-STQMWFEESA-N 1 2 289.379 2.106 20 30 CEEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)CC#N ZINC000602864492 367217736 /nfs/dbraw/zinc/21/77/36/367217736.db2.gz RQLAVDQQVKKYNP-WCQYABFASA-N 1 2 291.420 2.476 20 30 CEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602865988 367218248 /nfs/dbraw/zinc/21/82/48/367218248.db2.gz XVNMIVKQMHAEAW-QWHCGFSZSA-N 1 2 259.353 2.098 20 30 CEEDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)cc(C#N)n1 ZINC000341848749 367377173 /nfs/dbraw/zinc/37/71/73/367377173.db2.gz ZUFINMVNTQXUNS-UHFFFAOYSA-N 1 2 267.336 2.300 20 30 CEEDLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342688454 367484644 /nfs/dbraw/zinc/48/46/44/367484644.db2.gz CSKMWXIFHFZMPG-UHFFFAOYSA-N 1 2 299.418 2.443 20 30 CEEDLO C=CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245729400 370864963 /nfs/dbraw/zinc/86/49/63/370864963.db2.gz YGWNUSMFCGGBTQ-ZIAGYGMSSA-N 1 2 295.333 2.195 20 30 CEEDLO C=CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245729400 370864964 /nfs/dbraw/zinc/86/49/64/370864964.db2.gz YGWNUSMFCGGBTQ-ZIAGYGMSSA-N 1 2 295.333 2.195 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343541675 367873774 /nfs/dbraw/zinc/87/37/74/367873774.db2.gz YKESIGVZUQGJMP-QWHCGFSZSA-N 1 2 261.369 2.307 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682158341 541638559 /nfs/dbraw/zinc/63/85/59/541638559.db2.gz KBIITCVFONCDQR-HOCLYGCPSA-N 1 2 291.395 2.275 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633524437 368286301 /nfs/dbraw/zinc/28/63/01/368286301.db2.gz XZFVZECWAOGHTN-MRXNPFEDSA-N 1 2 285.347 2.020 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000181293304 368441555 /nfs/dbraw/zinc/44/15/55/368441555.db2.gz SBOZFXJTBJQIJV-GFCCVEGCSA-N 1 2 257.341 2.231 20 30 CEEDLO C=C(C)C[N@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000181293304 368441560 /nfs/dbraw/zinc/44/15/60/368441560.db2.gz SBOZFXJTBJQIJV-GFCCVEGCSA-N 1 2 257.341 2.231 20 30 CEEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H](O)C(F)(F)F ZINC000185665624 368839249 /nfs/dbraw/zinc/83/92/49/368839249.db2.gz PJTGNPAZGZRAHC-GFCCVEGCSA-N 1 2 290.260 2.442 20 30 CEEDLO CC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H](O)C(F)(F)F ZINC000185665624 368839252 /nfs/dbraw/zinc/83/92/52/368839252.db2.gz PJTGNPAZGZRAHC-GFCCVEGCSA-N 1 2 290.260 2.442 20 30 CEEDLO C#CCC(C)(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185867378 368876267 /nfs/dbraw/zinc/87/62/67/368876267.db2.gz RTFWNCHRRVTLHY-UHFFFAOYSA-N 1 2 255.321 2.000 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC000574249347 335004079 /nfs/dbraw/zinc/00/40/79/335004079.db2.gz KFPZGSNIYXJZAS-KGLIPLIRSA-N 1 2 285.347 2.094 20 30 CEEDLO CCCC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1C#N ZINC000186679896 369018615 /nfs/dbraw/zinc/01/86/15/369018615.db2.gz WDCUEJHFHUPOTK-UHFFFAOYSA-N 1 2 279.771 2.299 20 30 CEEDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1C#N ZINC000186679896 369018620 /nfs/dbraw/zinc/01/86/20/369018620.db2.gz WDCUEJHFHUPOTK-UHFFFAOYSA-N 1 2 279.771 2.299 20 30 CEEDLO C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635548305 369213830 /nfs/dbraw/zinc/21/38/30/369213830.db2.gz QDGLEFXBJXEZIY-ZIAGYGMSSA-N 1 2 297.358 2.394 20 30 CEEDLO C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635548305 369213835 /nfs/dbraw/zinc/21/38/35/369213835.db2.gz QDGLEFXBJXEZIY-ZIAGYGMSSA-N 1 2 297.358 2.394 20 30 CEEDLO C=C(CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC000635930951 369409472 /nfs/dbraw/zinc/40/94/72/369409472.db2.gz YUAIGJGXCBYBOA-ZIAGYGMSSA-N 1 2 267.332 2.343 20 30 CEEDLO C=C(CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC000635930951 369409479 /nfs/dbraw/zinc/40/94/79/369409479.db2.gz YUAIGJGXCBYBOA-ZIAGYGMSSA-N 1 2 267.332 2.343 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccc1Cl ZINC000349860048 369427133 /nfs/dbraw/zinc/42/71/33/369427133.db2.gz CKDNPJBGKJPLQB-SNVBAGLBSA-N 1 2 288.738 2.227 20 30 CEEDLO C=CCCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000276232368 193252248 /nfs/dbraw/zinc/25/22/48/193252248.db2.gz KRQMUSJAKOFAPD-UHFFFAOYSA-N 1 2 288.391 2.167 20 30 CEEDLO C=CCOCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636199341 369552724 /nfs/dbraw/zinc/55/27/24/369552724.db2.gz DSYCLKPHNILGIY-CQSZACIVSA-N 1 2 279.384 2.179 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636171691 369545324 /nfs/dbraw/zinc/54/53/24/369545324.db2.gz OTCXOYWQEDQPDA-JHJVBQTASA-N 1 2 259.353 2.328 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636171691 369545327 /nfs/dbraw/zinc/54/53/27/369545327.db2.gz OTCXOYWQEDQPDA-JHJVBQTASA-N 1 2 259.353 2.328 20 30 CEEDLO C=CCCOCCNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000351506028 369638242 /nfs/dbraw/zinc/63/82/42/369638242.db2.gz RBYCAIBPJIQJNG-UHFFFAOYSA-N 1 2 287.363 2.373 20 30 CEEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192141677 369776515 /nfs/dbraw/zinc/77/65/15/369776515.db2.gz GQZZBEGHXDXCGV-HNNXBMFYSA-N 1 2 266.348 2.004 20 30 CEEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192141677 369776519 /nfs/dbraw/zinc/77/65/19/369776519.db2.gz GQZZBEGHXDXCGV-HNNXBMFYSA-N 1 2 266.348 2.004 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000192225983 369782256 /nfs/dbraw/zinc/78/22/56/369782256.db2.gz NPFZPYFWJOOPDY-SNVBAGLBSA-N 1 2 280.755 2.241 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000192225983 369782263 /nfs/dbraw/zinc/78/22/63/369782263.db2.gz NPFZPYFWJOOPDY-SNVBAGLBSA-N 1 2 280.755 2.241 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000192236206 369782458 /nfs/dbraw/zinc/78/24/58/369782458.db2.gz WGDUNNOUKTVJCG-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000192236206 369782464 /nfs/dbraw/zinc/78/24/64/369782464.db2.gz WGDUNNOUKTVJCG-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1ccccc1 ZINC000352837472 369904931 /nfs/dbraw/zinc/90/49/31/369904931.db2.gz AXCUPHQBMVWBBY-JTQLQIEISA-N 1 2 286.360 2.132 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000195015417 370096436 /nfs/dbraw/zinc/09/64/36/370096436.db2.gz DNEXKVLDKUUPPV-QGZVFWFLSA-N 1 2 289.375 2.243 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000195015417 370096440 /nfs/dbraw/zinc/09/64/40/370096440.db2.gz DNEXKVLDKUUPPV-QGZVFWFLSA-N 1 2 289.375 2.243 20 30 CEEDLO CC#CCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000354049113 370195502 /nfs/dbraw/zinc/19/55/02/370195502.db2.gz SHBZRJXZDBETOF-UHFFFAOYSA-N 1 2 266.348 2.403 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)s1 ZINC000191679279 284215458 /nfs/dbraw/zinc/21/54/58/284215458.db2.gz QNPXONUCWXOGON-SWHYSGLUSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)s1 ZINC000191679279 284215460 /nfs/dbraw/zinc/21/54/60/284215460.db2.gz QNPXONUCWXOGON-SWHYSGLUSA-N 1 2 290.388 2.393 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCCNc2cccc[nH+]2)n1 ZINC000247850455 371144065 /nfs/dbraw/zinc/14/40/65/371144065.db2.gz AFMCKFQTIIJEMF-UHFFFAOYSA-N 1 2 267.336 2.489 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000247970471 371152418 /nfs/dbraw/zinc/15/24/18/371152418.db2.gz FNWOKHAZZBJCGS-HUUCEWRRSA-N 1 2 280.412 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000247970471 371152421 /nfs/dbraw/zinc/15/24/21/371152421.db2.gz FNWOKHAZZBJCGS-HUUCEWRRSA-N 1 2 280.412 2.076 20 30 CEEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000248634193 371227598 /nfs/dbraw/zinc/22/75/98/371227598.db2.gz SPGFEDAIPKDACR-LSDHHAIUSA-N 1 2 291.395 2.484 20 30 CEEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000248634193 371227601 /nfs/dbraw/zinc/22/76/01/371227601.db2.gz SPGFEDAIPKDACR-LSDHHAIUSA-N 1 2 291.395 2.484 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250352849 371382413 /nfs/dbraw/zinc/38/24/13/371382413.db2.gz LSIPNPLSIJSYMM-FRRDWIJNSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250352849 371382416 /nfs/dbraw/zinc/38/24/16/371382416.db2.gz LSIPNPLSIJSYMM-FRRDWIJNSA-N 1 2 253.390 2.161 20 30 CEEDLO CC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000639643828 371463008 /nfs/dbraw/zinc/46/30/08/371463008.db2.gz NNLKHPUMTCVSNU-UHFFFAOYSA-N 1 2 276.311 2.130 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCC(C#N)CC3)cn2c1 ZINC000264274659 371989732 /nfs/dbraw/zinc/98/97/32/371989732.db2.gz IFNPYKQBNCSPOR-UHFFFAOYSA-N 1 2 297.362 2.088 20 30 CEEDLO Cn1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1C#N ZINC000361586006 371951084 /nfs/dbraw/zinc/95/10/84/371951084.db2.gz KLDHNYOGYAFXAU-UHFFFAOYSA-N 1 2 293.330 2.237 20 30 CEEDLO C=CCNC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000361731759 372044520 /nfs/dbraw/zinc/04/45/20/372044520.db2.gz BRUOVYDIHSGDHU-AWEZNQCLSA-N 1 2 281.359 2.415 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000268540959 372131058 /nfs/dbraw/zinc/13/10/58/372131058.db2.gz LAGAWTGDYYRLPV-GDBMZVCRSA-N 1 2 289.375 2.086 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000268540959 372131064 /nfs/dbraw/zinc/13/10/64/372131064.db2.gz LAGAWTGDYYRLPV-GDBMZVCRSA-N 1 2 289.375 2.086 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](C)c2ccccc2)nn1 ZINC000640947100 372191968 /nfs/dbraw/zinc/19/19/68/372191968.db2.gz CQJLGZLKSJOSQF-CQSZACIVSA-N 1 2 268.364 2.195 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362069332 372200585 /nfs/dbraw/zinc/20/05/85/372200585.db2.gz UKGFJBVBHZJMPN-JHJVBQTASA-N 1 2 276.405 2.461 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCC2=CCCCC2)nn1 ZINC000641079686 372290257 /nfs/dbraw/zinc/29/02/57/372290257.db2.gz QPBTZRHBXWWJGR-UHFFFAOYSA-N 1 2 258.369 2.282 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCc2ccc(CC)cc2)nn1 ZINC000641046927 372253091 /nfs/dbraw/zinc/25/30/91/372253091.db2.gz WWHMEZZBIAPDGW-UHFFFAOYSA-N 1 2 282.391 2.196 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)cccc2Cl)nn1 ZINC000641068330 372272015 /nfs/dbraw/zinc/27/20/15/372272015.db2.gz BIAYDOCYLGKLOG-UHFFFAOYSA-N 1 2 288.782 2.401 20 30 CEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCOC2=O)CC1 ZINC000362254976 372288674 /nfs/dbraw/zinc/28/86/74/372288674.db2.gz DVPZOZOZRAHFCX-UHFFFAOYSA-N 1 2 288.322 2.226 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CC2CCC(F)(F)CC2)nn1 ZINC000641139605 372338202 /nfs/dbraw/zinc/33/82/02/372338202.db2.gz WLULUXKETIRPSL-UHFFFAOYSA-N 1 2 282.338 2.217 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000683883376 541876682 /nfs/dbraw/zinc/87/66/82/541876682.db2.gz BPOXLZVLAXNJTQ-QWHCGFSZSA-N 1 2 259.353 2.013 20 30 CEEDLO C=CC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000364226977 372697494 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AOSXECJOVPUJJG-LLVKDONJSA-N 1 2 256.309 2.148 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000266882528 190286978 /nfs/dbraw/zinc/28/69/78/190286978.db2.gz AOSXECJOVPUJJG-LLVKDONJSA-N 1 2 256.309 2.148 20 30 CEEDLO CCc1nnc(NC[C@H](C)Cn2cc[nH+]c2)c(C#N)c1CC ZINC000268145569 190380346 /nfs/dbraw/zinc/38/03/46/190380346.db2.gz JBYRKMZLELKXLW-LBPRGKRZSA-N 1 2 298.394 2.418 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000528837302 380113662 /nfs/dbraw/zinc/11/36/62/380113662.db2.gz YVYWNVRGNNPDJH-UHFFFAOYSA-N 1 2 270.336 2.280 20 30 CEEDLO N#CCc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000533944400 380218785 /nfs/dbraw/zinc/21/87/85/380218785.db2.gz KJPQYVOIJHCXBI-UHFFFAOYSA-N 1 2 282.347 2.159 20 30 CEEDLO COc1cc(Br)c(C[NH2+]C[C@H](C)C#N)cc1O ZINC000541763233 380281752 /nfs/dbraw/zinc/28/17/52/380281752.db2.gz DGODXEZNGZVLQK-MRVPVSSYSA-N 1 2 299.168 2.413 20 30 CEEDLO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000334527347 380536657 /nfs/dbraw/zinc/53/66/57/380536657.db2.gz VEJPASBFDQNOJH-ZDUSSCGKSA-N 1 2 277.755 2.439 20 30 CEEDLO C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000334527347 380536659 /nfs/dbraw/zinc/53/66/59/380536659.db2.gz VEJPASBFDQNOJH-ZDUSSCGKSA-N 1 2 277.755 2.439 20 30 CEEDLO N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548647760 380543028 /nfs/dbraw/zinc/54/30/28/380543028.db2.gz XDUIFHSYAKOIDC-LBPRGKRZSA-N 1 2 299.309 2.030 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CC#N)CC[C@@H]2C1 ZINC000495859221 381187605 /nfs/dbraw/zinc/18/76/05/381187605.db2.gz YSBYUQNSQIBGFH-BETUJISGSA-N 1 2 279.384 2.089 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CC#N)CC[C@@H]2C1 ZINC000495859221 381187621 /nfs/dbraw/zinc/18/76/21/381187621.db2.gz YSBYUQNSQIBGFH-BETUJISGSA-N 1 2 279.384 2.089 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](CC#N)C2)C1 ZINC000496951271 381234193 /nfs/dbraw/zinc/23/41/93/381234193.db2.gz URFUESQETARFSB-KGLIPLIRSA-N 1 2 293.411 2.479 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](CC#N)C2)C1 ZINC000496951271 381234202 /nfs/dbraw/zinc/23/42/02/381234202.db2.gz URFUESQETARFSB-KGLIPLIRSA-N 1 2 293.411 2.479 20 30 CEEDLO Cc1cc(C#N)nc(NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000281023787 195073211 /nfs/dbraw/zinc/07/32/11/195073211.db2.gz SNYVVOBLDUNKCL-UHFFFAOYSA-N 1 2 294.362 2.264 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042449547 285054629 /nfs/dbraw/zinc/05/46/29/285054629.db2.gz DUOLHVXNJNYCAM-OLZOCXBDSA-N 1 2 265.401 2.305 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042449547 285054630 /nfs/dbraw/zinc/05/46/30/285054630.db2.gz DUOLHVXNJNYCAM-OLZOCXBDSA-N 1 2 265.401 2.305 20 30 CEEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1cccs1 ZINC000352489776 533075215 /nfs/dbraw/zinc/07/52/15/533075215.db2.gz CQXDAHQTPXBAKF-LLVKDONJSA-N 1 2 295.383 2.253 20 30 CEEDLO O=C(Nc1cccc2c1OCO2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329260009 285231003 /nfs/dbraw/zinc/23/10/03/285231003.db2.gz ATRPPNUZROWPAJ-SNVBAGLBSA-N 1 2 285.303 2.462 20 30 CEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000263689188 131309456 /nfs/dbraw/zinc/30/94/56/131309456.db2.gz JORKNRYFJIATOZ-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO Cc1nnc(NCc2cn3c([nH+]2)CCCC3)c(C#N)c1C ZINC000263809381 131335915 /nfs/dbraw/zinc/33/59/15/131335915.db2.gz SYBPIXJPONXGPW-UHFFFAOYSA-N 1 2 282.351 2.110 20 30 CEEDLO CC(C)c1nc(NCC2CCN(CC#N)CC2)cc[nH+]1 ZINC000301630455 394463193 /nfs/dbraw/zinc/46/31/93/394463193.db2.gz CIEPNWOTYFEINB-UHFFFAOYSA-N 1 2 273.384 2.247 20 30 CEEDLO CC#CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355656675 394490546 /nfs/dbraw/zinc/49/05/46/394490546.db2.gz CYVDNIXFQZUCSN-UHFFFAOYSA-N 1 2 281.359 2.004 20 30 CEEDLO C[C@@H]1CCN(c2ncc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000413196994 394502774 /nfs/dbraw/zinc/50/27/74/394502774.db2.gz ROUVDCNLNVWGMY-BXUZGUMPSA-N 1 2 285.326 2.376 20 30 CEEDLO C[C@@H]1CCN(c2ncc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000413197006 394502799 /nfs/dbraw/zinc/50/27/99/394502799.db2.gz ROUVDCNLNVWGMY-RISCZKNCSA-N 1 2 285.326 2.376 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCSC3(CCOCC3)C2)n1 ZINC000356409250 394576723 /nfs/dbraw/zinc/57/67/23/394576723.db2.gz KGWJSAGCRQESBF-UHFFFAOYSA-N 1 2 295.433 2.113 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCSC3(CCOCC3)C2)n1 ZINC000356409250 394576727 /nfs/dbraw/zinc/57/67/27/394576727.db2.gz KGWJSAGCRQESBF-UHFFFAOYSA-N 1 2 295.433 2.113 20 30 CEEDLO C[C@@H]1CCN(C(=O)NCC2(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000329923753 394594832 /nfs/dbraw/zinc/59/48/32/394594832.db2.gz UONAXUDDQGOLDJ-CHWSQXEVSA-N 1 2 276.384 2.480 20 30 CEEDLO C[C@@H]1CCN(C([O-])=[NH+]CC2(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000329923753 394594836 /nfs/dbraw/zinc/59/48/36/394594836.db2.gz UONAXUDDQGOLDJ-CHWSQXEVSA-N 1 2 276.384 2.480 20 30 CEEDLO N#Cc1c[nH]c(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355755947 394521942 /nfs/dbraw/zinc/52/19/42/394521942.db2.gz QUPBSMGDIXOCBX-UHFFFAOYSA-N 1 2 290.286 2.175 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000355771718 394526602 /nfs/dbraw/zinc/52/66/02/394526602.db2.gz XSGXYVJEEMRGPZ-ZBFHGGJFSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000355771718 394526606 /nfs/dbraw/zinc/52/66/06/394526606.db2.gz XSGXYVJEEMRGPZ-ZBFHGGJFSA-N 1 2 294.439 2.348 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)on1 ZINC000328912476 394556598 /nfs/dbraw/zinc/55/65/98/394556598.db2.gz OZMYGOMRAGQCTI-ZDUSSCGKSA-N 1 2 293.367 2.255 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CCOCC2)on1 ZINC000328912476 394556600 /nfs/dbraw/zinc/55/66/00/394556600.db2.gz OZMYGOMRAGQCTI-ZDUSSCGKSA-N 1 2 293.367 2.255 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)o1 ZINC000092075646 394659677 /nfs/dbraw/zinc/65/96/77/394659677.db2.gz OHINWVSILFLPOZ-INIZCTEOSA-N 1 2 295.342 2.214 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)o1 ZINC000092075646 394659682 /nfs/dbraw/zinc/65/96/82/394659682.db2.gz OHINWVSILFLPOZ-INIZCTEOSA-N 1 2 295.342 2.214 20 30 CEEDLO Cc1ncc(CO[NH+]=C(N)[C@H](C)OCC(C)C)s1 ZINC000266225304 394661873 /nfs/dbraw/zinc/66/18/73/394661873.db2.gz SLSXFQUYDBILET-VIFPVBQESA-N 1 2 271.386 2.301 20 30 CEEDLO CC[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)C1CCOCC1 ZINC000330572488 394619582 /nfs/dbraw/zinc/61/95/82/394619582.db2.gz GABCZQDVEKWDSG-CQSZACIVSA-N 1 2 277.368 2.343 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000334251885 394668920 /nfs/dbraw/zinc/66/89/20/394668920.db2.gz BJOMDVSKWIDRBU-KGLIPLIRSA-N 1 2 277.412 2.307 20 30 CEEDLO N#Cc1cnc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nc1 ZINC000333486555 394646977 /nfs/dbraw/zinc/64/69/77/394646977.db2.gz GGKKFBKIWIICNW-STQMWFEESA-N 1 2 274.393 2.208 20 30 CEEDLO N#Cc1cnc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nc1 ZINC000333486555 394646980 /nfs/dbraw/zinc/64/69/80/394646980.db2.gz GGKKFBKIWIICNW-STQMWFEESA-N 1 2 274.393 2.208 20 30 CEEDLO Cn1c2ccccc2[nH+]c1CCN(CC#N)C1CC1 ZINC000265471168 394649357 /nfs/dbraw/zinc/64/93/57/394649357.db2.gz CTXCLHMGIZQZLE-UHFFFAOYSA-N 1 2 254.337 2.104 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@H](C)C#N)o1 ZINC000109121059 394732973 /nfs/dbraw/zinc/73/29/73/394732973.db2.gz OCJAXMOKTMXJRP-ZJUUUORDSA-N 1 2 250.298 2.219 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@H](C)C#N)o1 ZINC000109121059 394732977 /nfs/dbraw/zinc/73/29/77/394732977.db2.gz OCJAXMOKTMXJRP-ZJUUUORDSA-N 1 2 250.298 2.219 20 30 CEEDLO CCC(CC)(C/[NH+]=C/c1cccc(O)c1O)C(=O)OC ZINC000269669777 394720495 /nfs/dbraw/zinc/72/04/95/394720495.db2.gz ASIOUZAVCREUNV-CXUHLZMHSA-N 1 2 279.336 2.496 20 30 CEEDLO COc1cc(C)nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000271210213 394752632 /nfs/dbraw/zinc/75/26/32/394752632.db2.gz LNMUYGRLGMYKCG-GFCCVEGCSA-N 1 2 295.383 2.249 20 30 CEEDLO CC#CCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000360434781 394801299 /nfs/dbraw/zinc/80/12/99/394801299.db2.gz AROKGYUFTIDRMJ-UHFFFAOYSA-N 1 2 290.794 2.398 20 30 CEEDLO CC#CCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000360434781 394801300 /nfs/dbraw/zinc/80/13/00/394801300.db2.gz AROKGYUFTIDRMJ-UHFFFAOYSA-N 1 2 290.794 2.398 20 30 CEEDLO C=CCOc1ccccc1CNc1cc[nH+]c(C)n1 ZINC000361024781 394812324 /nfs/dbraw/zinc/81/23/24/394812324.db2.gz DGIACPXCOOQXFE-UHFFFAOYSA-N 1 2 255.321 2.384 20 30 CEEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000361088714 394814569 /nfs/dbraw/zinc/81/45/69/394814569.db2.gz RJXPWXKJRXUYCE-YVEFUNNKSA-N 1 2 283.375 2.372 20 30 CEEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000361088714 394814575 /nfs/dbraw/zinc/81/45/75/394814575.db2.gz RJXPWXKJRXUYCE-YVEFUNNKSA-N 1 2 283.375 2.372 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(=O)OC ZINC000361106594 394815824 /nfs/dbraw/zinc/81/58/24/394815824.db2.gz FRLUVFKPVMEGFP-MJBXVCDLSA-N 1 2 269.385 2.289 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000122906780 394818983 /nfs/dbraw/zinc/81/89/83/394818983.db2.gz QYHILABWZHYPBM-GFCCVEGCSA-N 1 2 263.341 2.035 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000122906780 394818989 /nfs/dbraw/zinc/81/89/89/394818989.db2.gz QYHILABWZHYPBM-GFCCVEGCSA-N 1 2 263.341 2.035 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000363490854 394878866 /nfs/dbraw/zinc/87/88/66/394878866.db2.gz QSKWCPUCBUKXHE-UHFFFAOYSA-N 1 2 298.818 2.453 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000363490854 394878870 /nfs/dbraw/zinc/87/88/70/394878870.db2.gz QSKWCPUCBUKXHE-UHFFFAOYSA-N 1 2 298.818 2.453 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000278495904 394830661 /nfs/dbraw/zinc/83/06/61/394830661.db2.gz ADFIATFBYZKZCM-UHFFFAOYSA-N 1 2 283.379 2.123 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000278495904 394830664 /nfs/dbraw/zinc/83/06/64/394830664.db2.gz ADFIATFBYZKZCM-UHFFFAOYSA-N 1 2 283.379 2.123 20 30 CEEDLO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)o1 ZINC000124861992 394839921 /nfs/dbraw/zinc/83/99/21/394839921.db2.gz CUKCFOYKOIOKIV-ZDUSSCGKSA-N 1 2 275.352 2.009 20 30 CEEDLO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCC#N)o1 ZINC000124861992 394839922 /nfs/dbraw/zinc/83/99/22/394839922.db2.gz CUKCFOYKOIOKIV-ZDUSSCGKSA-N 1 2 275.352 2.009 20 30 CEEDLO C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)[NH+]1CCSCC1 ZINC000132601014 394933774 /nfs/dbraw/zinc/93/37/74/394933774.db2.gz LUNFXJWJUUUUCN-OCCSQVGLSA-N 1 2 295.452 2.012 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CC[C@](F)(CO)C2)cc(OC)c1O ZINC000338997876 394935323 /nfs/dbraw/zinc/93/53/23/394935323.db2.gz XPSCFTUVTHLIRV-MRXNPFEDSA-N 1 2 295.354 2.036 20 30 CEEDLO C=CCc1cc(C[N@H+]2CC[C@](F)(CO)C2)cc(OC)c1O ZINC000338997876 394935327 /nfs/dbraw/zinc/93/53/27/394935327.db2.gz XPSCFTUVTHLIRV-MRXNPFEDSA-N 1 2 295.354 2.036 20 30 CEEDLO CN(C)c1ccc(CNc2cccc(C#N)n2)c[nH+]1 ZINC000339216500 394952982 /nfs/dbraw/zinc/95/29/82/394952982.db2.gz KODDMLRWWKTAMD-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO N#Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1F ZINC000152124534 394988165 /nfs/dbraw/zinc/98/81/65/394988165.db2.gz OVALWNBBXJLYKO-SNVBAGLBSA-N 1 2 284.294 2.095 20 30 CEEDLO C[C@@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000369456841 394998800 /nfs/dbraw/zinc/99/88/00/394998800.db2.gz HCHQKSKRWJGKMK-YOEHRIQHSA-N 1 2 269.392 2.462 20 30 CEEDLO C[C@@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000369456841 394998805 /nfs/dbraw/zinc/99/88/05/394998805.db2.gz HCHQKSKRWJGKMK-YOEHRIQHSA-N 1 2 269.392 2.462 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)CCc1c[nH+]cn1C ZINC000286311426 395019903 /nfs/dbraw/zinc/01/99/03/395019903.db2.gz IBYJLWLQEZPGNT-UHFFFAOYSA-N 1 2 281.359 2.015 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000154744646 395024298 /nfs/dbraw/zinc/02/42/98/395024298.db2.gz YKDGQGOPZHRRIL-UHFFFAOYSA-N 1 2 279.318 2.351 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(OCCC)ccc2C1 ZINC000134516381 394958175 /nfs/dbraw/zinc/95/81/75/394958175.db2.gz IUPCISUKSAWSDQ-UHFFFAOYSA-N 1 2 288.391 2.136 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000134516381 394958178 /nfs/dbraw/zinc/95/81/78/394958178.db2.gz IUPCISUKSAWSDQ-UHFFFAOYSA-N 1 2 288.391 2.136 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000367171931 394958650 /nfs/dbraw/zinc/95/86/50/394958650.db2.gz UGGKEBXSJGAEOU-UHFFFAOYSA-N 1 2 280.412 2.056 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOCC12CCCC2 ZINC000367171931 394958652 /nfs/dbraw/zinc/95/86/52/394958652.db2.gz UGGKEBXSJGAEOU-UHFFFAOYSA-N 1 2 280.412 2.056 20 30 CEEDLO Cc1cc(NCC2([C@H](C)CCO)CCC2)c(C#N)c[nH+]1 ZINC000425250466 395054675 /nfs/dbraw/zinc/05/46/75/395054675.db2.gz VRXQJOZZMXNAOO-GFCCVEGCSA-N 1 2 273.380 2.284 20 30 CEEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000288166280 395055088 /nfs/dbraw/zinc/05/50/88/395055088.db2.gz KMYZZLDCCQMHHV-CYBMUJFWSA-N 1 2 282.347 2.045 20 30 CEEDLO C#CC[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374142151 395074464 /nfs/dbraw/zinc/07/44/64/395074464.db2.gz IZERBIGJOHOHIZ-AWEZNQCLSA-N 1 2 254.333 2.044 20 30 CEEDLO C#CC[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374142151 395074468 /nfs/dbraw/zinc/07/44/68/395074468.db2.gz IZERBIGJOHOHIZ-AWEZNQCLSA-N 1 2 254.333 2.044 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000374186961 395075775 /nfs/dbraw/zinc/07/57/75/395075775.db2.gz HLVDVWNZDORCSX-UHFFFAOYSA-N 1 2 288.782 2.437 20 30 CEEDLO C=C(Cl)C[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000374186961 395075778 /nfs/dbraw/zinc/07/57/78/395075778.db2.gz HLVDVWNZDORCSX-UHFFFAOYSA-N 1 2 288.782 2.437 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc(N(C)C)nc1 ZINC000289608556 395082020 /nfs/dbraw/zinc/08/20/20/395082020.db2.gz LDQSBOUBDSIDAL-UHFFFAOYSA-N 1 2 280.375 2.178 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(N(C)C)nc1 ZINC000289608556 395082021 /nfs/dbraw/zinc/08/20/21/395082021.db2.gz LDQSBOUBDSIDAL-UHFFFAOYSA-N 1 2 280.375 2.178 20 30 CEEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)C(C)(C)C#N)c1 ZINC000374519305 395083266 /nfs/dbraw/zinc/08/32/66/395083266.db2.gz FKUKXTNGCQRLNE-UHFFFAOYSA-N 1 2 282.347 2.253 20 30 CEEDLO CN(Cc1[nH+]ccn1C)Cc1cccc(F)c1C#N ZINC000428302483 395145233 /nfs/dbraw/zinc/14/52/33/395145233.db2.gz FZBPMYQGXYCBMI-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO Cc1cccn2c(C[NH+]3CCC(F)(C#N)CC3)cnc12 ZINC000348701255 395148782 /nfs/dbraw/zinc/14/87/82/395148782.db2.gz CRFKUWNYQRSYKL-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO Cc1cccn2c(CN3CCC(F)(C#N)CC3)c[nH+]c12 ZINC000348701255 395148790 /nfs/dbraw/zinc/14/87/90/395148790.db2.gz CRFKUWNYQRSYKL-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO C=C[C@](C)(O)CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000519614551 395197281 /nfs/dbraw/zinc/19/72/81/395197281.db2.gz PAVYDNUTIFCHKO-HNNXBMFYSA-N 1 2 273.336 2.147 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000293194034 395224297 /nfs/dbraw/zinc/22/42/97/395224297.db2.gz QKHZTXIQTOETFI-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000293194034 395224300 /nfs/dbraw/zinc/22/43/00/395224300.db2.gz QKHZTXIQTOETFI-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO N#CCC1(O)C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC000352975020 395282404 /nfs/dbraw/zinc/28/24/04/395282404.db2.gz SXFGEZWYJRYZIO-UHFFFAOYSA-N 1 2 256.349 2.414 20 30 CEEDLO Cc1cc(NCCNc2cccc(C#N)n2)nc(C(C)C)[nH+]1 ZINC000528159258 395286608 /nfs/dbraw/zinc/28/66/08/395286608.db2.gz WKWRZYCEQMWBKE-UHFFFAOYSA-N 1 2 296.378 2.121 20 30 CEEDLO CCCN1CC[N@H+](Cc2cccc(C#N)c2)C(C)(C)C1=O ZINC000187879210 395308329 /nfs/dbraw/zinc/30/83/29/395308329.db2.gz YVXPLSJZIHVHLL-UHFFFAOYSA-N 1 2 285.391 2.391 20 30 CEEDLO CCCN1CC[N@@H+](Cc2cccc(C#N)c2)C(C)(C)C1=O ZINC000187879210 395308332 /nfs/dbraw/zinc/30/83/32/395308332.db2.gz YVXPLSJZIHVHLL-UHFFFAOYSA-N 1 2 285.391 2.391 20 30 CEEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352467621 395257049 /nfs/dbraw/zinc/25/70/49/395257049.db2.gz LSPPEGAFQQOVOE-LLVKDONJSA-N 1 2 269.364 2.007 20 30 CEEDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352489978 395259880 /nfs/dbraw/zinc/25/98/80/395259880.db2.gz FLYYRNIAGRJDPA-HZSPNIEDSA-N 1 2 295.402 2.397 20 30 CEEDLO N#CC1(F)CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000352485088 395260519 /nfs/dbraw/zinc/26/05/19/395260519.db2.gz XIQDORKYCHOCEG-UHFFFAOYSA-N 1 2 290.264 2.273 20 30 CEEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484583 395260593 /nfs/dbraw/zinc/26/05/93/395260593.db2.gz RDSLHUAESHTROA-HZSPNIEDSA-N 1 2 295.402 2.207 20 30 CEEDLO N#Cc1cncc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000420588078 395381628 /nfs/dbraw/zinc/38/16/28/395381628.db2.gz QYUAMWUXDYTVSR-UHFFFAOYSA-N 1 2 266.308 2.087 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1cc(C#N)oc1C ZINC000435699555 395383559 /nfs/dbraw/zinc/38/35/59/395383559.db2.gz YPDYQSGLPQQAQG-UHFFFAOYSA-N 1 2 257.249 2.116 20 30 CEEDLO C[C@@H]([NH2+]CCC#N)c1ccc(Br)cn1 ZINC000411675255 395335775 /nfs/dbraw/zinc/33/57/75/395335775.db2.gz ZCLPZWWVMBIVJC-MRVPVSSYSA-N 1 2 254.131 2.408 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191109690 395348625 /nfs/dbraw/zinc/34/86/25/395348625.db2.gz CQQRLHDMSOCRNV-ZDUSSCGKSA-N 1 2 287.363 2.020 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191109690 395348628 /nfs/dbraw/zinc/34/86/28/395348628.db2.gz CQQRLHDMSOCRNV-ZDUSSCGKSA-N 1 2 287.363 2.020 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C2CCC1CC2 ZINC000532916375 395460883 /nfs/dbraw/zinc/46/08/83/395460883.db2.gz KQRRDFNMVAXLHF-NRXISQOPSA-N 1 2 270.332 2.399 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]c2nccnc12)C1CC1 ZINC000567883233 395538803 /nfs/dbraw/zinc/53/88/03/395538803.db2.gz WAQBADBDYJKDRS-SNVBAGLBSA-N 1 2 255.325 2.034 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]c2nccnc12)C1CC1 ZINC000567883233 395538804 /nfs/dbraw/zinc/53/88/04/395538804.db2.gz WAQBADBDYJKDRS-SNVBAGLBSA-N 1 2 255.325 2.034 20 30 CEEDLO CCC(CC)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)on1 ZINC000567995649 395543849 /nfs/dbraw/zinc/54/38/49/395543849.db2.gz QZDKHHAERYZODH-HNNXBMFYSA-N 1 2 292.383 2.152 20 30 CEEDLO Cc1ccc2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2n1 ZINC000569302283 395576406 /nfs/dbraw/zinc/57/64/06/395576406.db2.gz GHZZBHBVYVSCEN-QGZVFWFLSA-N 1 2 296.374 2.117 20 30 CEEDLO CC[C@@H](CC(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570635795 395583059 /nfs/dbraw/zinc/58/30/59/395583059.db2.gz WNJJHVDWMBSDGP-GXTWGEPZSA-N 1 2 253.390 2.019 20 30 CEEDLO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1F)C1CC1 ZINC000491420407 395669453 /nfs/dbraw/zinc/66/94/53/395669453.db2.gz XSMQYGRLENTABV-UHFFFAOYSA-N 1 2 263.312 2.441 20 30 CEEDLO C#CC[N@H+](Cc1cc(OC)c(OC)cc1F)C1CC1 ZINC000491420407 395669454 /nfs/dbraw/zinc/66/94/54/395669454.db2.gz XSMQYGRLENTABV-UHFFFAOYSA-N 1 2 263.312 2.441 20 30 CEEDLO COC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000491558311 395670073 /nfs/dbraw/zinc/67/00/73/395670073.db2.gz UOLRNMLFUBYTDM-GFCCVEGCSA-N 1 2 273.336 2.003 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000425274762 400574316 /nfs/dbraw/zinc/57/43/16/400574316.db2.gz AJFZKCQFLNZINA-NSHDSACASA-N 1 2 292.346 2.432 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000649898824 400747939 /nfs/dbraw/zinc/74/79/39/400747939.db2.gz AZVFUCKSGAMFLS-OAHLLOKOSA-N 1 2 287.407 2.411 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649898824 400747942 /nfs/dbraw/zinc/74/79/42/400747942.db2.gz AZVFUCKSGAMFLS-OAHLLOKOSA-N 1 2 287.407 2.411 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1F ZINC000223525321 153316521 /nfs/dbraw/zinc/31/65/21/153316521.db2.gz WGRRCJJWZBUTKY-UONOGXRCSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1F ZINC000223525321 153316525 /nfs/dbraw/zinc/31/65/25/153316525.db2.gz WGRRCJJWZBUTKY-UONOGXRCSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccnc(NC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000367259095 156159905 /nfs/dbraw/zinc/15/99/05/156159905.db2.gz GKEXSZGVZWWIJO-UHFFFAOYSA-N 1 2 299.403 2.486 20 30 CEEDLO N#Cc1ccc(C2=CC[N@H+](Cc3n[nH]c(=O)s3)CC2)cc1 ZINC000367456851 156186699 /nfs/dbraw/zinc/18/66/99/156186699.db2.gz DCJISPZFTDOEKW-UHFFFAOYSA-N 1 2 298.371 2.405 20 30 CEEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3n[nH]c(=O)s3)CC2)cc1 ZINC000367456851 156186705 /nfs/dbraw/zinc/18/67/05/156186705.db2.gz DCJISPZFTDOEKW-UHFFFAOYSA-N 1 2 298.371 2.405 20 30 CEEDLO N#Cc1ccc(C2=CC[N@H+](CC3N=NC(=O)S3)CC2)cc1 ZINC000367456851 156186708 /nfs/dbraw/zinc/18/67/08/156186708.db2.gz DCJISPZFTDOEKW-UHFFFAOYSA-N 1 2 298.371 2.405 20 30 CEEDLO N#Cc1ccc(C2=CC[N@@H+](CC3N=NC(=O)S3)CC2)cc1 ZINC000367456851 156186712 /nfs/dbraw/zinc/18/67/12/156186712.db2.gz DCJISPZFTDOEKW-UHFFFAOYSA-N 1 2 298.371 2.405 20 30 CEEDLO N#Cc1ncccc1NC1CC[NH+](Cc2cscn2)CC1 ZINC000368175645 156299627 /nfs/dbraw/zinc/29/96/27/156299627.db2.gz LBCIMUAJTQYELW-UHFFFAOYSA-N 1 2 299.403 2.486 20 30 CEEDLO N#Cc1ccccc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000171942181 162393663 /nfs/dbraw/zinc/39/36/63/162393663.db2.gz YQLKEKRLDFZJPV-GOSISDBHSA-N 1 2 299.418 2.245 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)ccc2OC)nn1 ZINC000657296625 414840189 /nfs/dbraw/zinc/84/01/89/414840189.db2.gz CMXLABILKQKHJI-UHFFFAOYSA-N 1 2 286.379 2.461 20 30 CEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000660704953 414941691 /nfs/dbraw/zinc/94/16/91/414941691.db2.gz JBYJQMMTWBZOCI-CHWSQXEVSA-N 1 2 276.384 2.354 20 30 CEEDLO C=CC[N@H+](Cc1nc(C(F)F)no1)[C@@H](C)COC ZINC000661240611 415151905 /nfs/dbraw/zinc/15/19/05/415151905.db2.gz RWMABVFHQFDROS-QMMMGPOBSA-N 1 2 261.272 2.030 20 30 CEEDLO C=CC[N@@H+](Cc1nc(C(F)F)no1)[C@@H](C)COC ZINC000661240611 415151908 /nfs/dbraw/zinc/15/19/08/415151908.db2.gz RWMABVFHQFDROS-QMMMGPOBSA-N 1 2 261.272 2.030 20 30 CEEDLO C=CC[N@H+](CC(=O)c1cc(C)[nH]c1C)[C@@H](C)COC ZINC000661242019 415154007 /nfs/dbraw/zinc/15/40/07/415154007.db2.gz GQCUZADIECTMGV-LBPRGKRZSA-N 1 2 264.369 2.337 20 30 CEEDLO C=CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)[C@@H](C)COC ZINC000661242019 415154011 /nfs/dbraw/zinc/15/40/11/415154011.db2.gz GQCUZADIECTMGV-LBPRGKRZSA-N 1 2 264.369 2.337 20 30 CEEDLO C=CC[N@H+](Cc1ncnn1-c1ccccc1)[C@H](C)COC ZINC000661238971 415148862 /nfs/dbraw/zinc/14/88/62/415148862.db2.gz AZZMDYKQMMZFGZ-CQSZACIVSA-N 1 2 286.379 2.290 20 30 CEEDLO C=CC[N@@H+](Cc1ncnn1-c1ccccc1)[C@H](C)COC ZINC000661238971 415148864 /nfs/dbraw/zinc/14/88/64/415148864.db2.gz AZZMDYKQMMZFGZ-CQSZACIVSA-N 1 2 286.379 2.290 20 30 CEEDLO C=CCC[C@H](CCC)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658157506 415235410 /nfs/dbraw/zinc/23/54/10/415235410.db2.gz BQDYQTWMFKZGDR-NSHDSACASA-N 1 2 252.362 2.176 20 30 CEEDLO C=CC[C@H](Cc1ccccc1)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656457269 415716519 /nfs/dbraw/zinc/71/65/19/415716519.db2.gz IVKOOMLXJQESHS-WBVHZDCISA-N 1 2 298.390 2.299 20 30 CEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000656538299 415749308 /nfs/dbraw/zinc/74/93/08/415749308.db2.gz UZAKACJGOVDCRZ-KBPBESRZSA-N 1 2 276.384 2.317 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000656544707 415756050 /nfs/dbraw/zinc/75/60/50/415756050.db2.gz UCPJAZOYDKYLRJ-KBPBESRZSA-N 1 2 276.384 2.269 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329731645 287321157 /nfs/dbraw/zinc/32/11/57/287321157.db2.gz IKQMMCYBOJYHHL-VXGBXAGGSA-N 1 2 276.384 2.303 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329731645 287321160 /nfs/dbraw/zinc/32/11/60/287321160.db2.gz IKQMMCYBOJYHHL-VXGBXAGGSA-N 1 2 276.384 2.303 20 30 CEEDLO O=C(NC1(CCO)CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329256425 227386368 /nfs/dbraw/zinc/38/63/68/227386368.db2.gz CTJMOJWDZZRFEF-LBPRGKRZSA-N 1 2 277.368 2.097 20 30 CEEDLO Cc1ncc(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000567327277 299052449 /nfs/dbraw/zinc/05/24/49/299052449.db2.gz XKHMYWNOOQOUGG-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO N#CCCCCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352740261 227195903 /nfs/dbraw/zinc/19/59/03/227195903.db2.gz RJVILJBFVLYZCH-UHFFFAOYSA-N 1 2 298.350 2.142 20 30 CEEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330002272 228013651 /nfs/dbraw/zinc/01/36/51/228013651.db2.gz YQXSYQZPKQYJFP-STQMWFEESA-N 1 2 296.411 2.059 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCSC1 ZINC000330209201 228066656 /nfs/dbraw/zinc/06/66/56/228066656.db2.gz HJESFPAONQXDMI-RYUDHWBXSA-N 1 2 294.424 2.160 20 30 CEEDLO COCCCOC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356113609 228126042 /nfs/dbraw/zinc/12/60/42/228126042.db2.gz QJPYJWRKESSTPP-UHFFFAOYSA-N 1 2 295.408 2.032 20 30 CEEDLO N#CC1(C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)CCC1 ZINC000333892176 228219078 /nfs/dbraw/zinc/21/90/78/228219078.db2.gz XJRARWNFRWPEEG-OAHLLOKOSA-N 1 2 289.423 2.451 20 30 CEEDLO N#CC1(C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)CCC1 ZINC000333892176 228219079 /nfs/dbraw/zinc/21/90/79/228219079.db2.gz XJRARWNFRWPEEG-OAHLLOKOSA-N 1 2 289.423 2.451 20 30 CEEDLO C=CCC(C)(C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000297360954 260119737 /nfs/dbraw/zinc/11/97/37/260119737.db2.gz KNWZWMTVVUSHTE-UHFFFAOYSA-N 1 2 264.373 2.175 20 30 CEEDLO C#CC[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000298157513 260145052 /nfs/dbraw/zinc/14/50/52/260145052.db2.gz NQNLTKIRRYARQN-UHFFFAOYSA-N 1 2 286.766 2.038 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000298890657 260168926 /nfs/dbraw/zinc/16/89/26/260168926.db2.gz VZWGJRNTMMTPQZ-VHSXEESVSA-N 1 2 268.307 2.306 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000067966675 260170786 /nfs/dbraw/zinc/17/07/86/260170786.db2.gz BTNWENMKVDDKLM-GDBMZVCRSA-N 1 2 288.395 2.206 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000067966675 260170788 /nfs/dbraw/zinc/17/07/88/260170788.db2.gz BTNWENMKVDDKLM-GDBMZVCRSA-N 1 2 288.395 2.206 20 30 CEEDLO C#CCN(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000299153362 260173721 /nfs/dbraw/zinc/17/37/21/260173721.db2.gz VCDJECZEGPLNEU-UHFFFAOYSA-N 1 2 296.374 2.096 20 30 CEEDLO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000048544040 260200739 /nfs/dbraw/zinc/20/07/39/260200739.db2.gz FHXZSAJPPXRSQQ-VIFPVBQESA-N 1 2 254.359 2.391 20 30 CEEDLO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1nncs1 ZINC000048544040 260200741 /nfs/dbraw/zinc/20/07/41/260200741.db2.gz 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/nfs/dbraw/zinc/09/39/55/262093955.db2.gz OGYWFFBUNAGMRY-CQSZACIVSA-N 1 2 298.390 2.203 20 30 CEEDLO CC#CCCCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000364065953 262133826 /nfs/dbraw/zinc/13/38/26/262133826.db2.gz LMQMJGBNMNQIPO-AWEZNQCLSA-N 1 2 273.380 2.379 20 30 CEEDLO O=C1OCC[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)[C@H]12 ZINC000364366648 262219096 /nfs/dbraw/zinc/21/90/96/262219096.db2.gz VPZNPCCMZIGCMY-ZFWWWQNUSA-N 1 2 289.762 2.329 20 30 CEEDLO O=C1OCC[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)[C@H]12 ZINC000364366648 262219097 /nfs/dbraw/zinc/21/90/97/262219097.db2.gz VPZNPCCMZIGCMY-ZFWWWQNUSA-N 1 2 289.762 2.329 20 30 CEEDLO Cc1ccc2ncc(C#N)c(NCc3c[nH+]cn3C)c2c1 ZINC000487992316 269919442 /nfs/dbraw/zinc/91/94/42/269919442.db2.gz URKSMILIUNZALF-UHFFFAOYSA-N 1 2 277.331 2.182 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)CC#N ZINC000275054931 263032220 /nfs/dbraw/zinc/03/22/20/263032220.db2.gz MEBZOZBVKNWPDW-ZDUSSCGKSA-N 1 2 282.347 2.249 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280524773 263062500 /nfs/dbraw/zinc/06/25/00/263062500.db2.gz NAHBCCOGRXZJAB-UHFFFAOYSA-N 1 2 282.347 2.151 20 30 CEEDLO Cc1cccc(CCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283977290 263085245 /nfs/dbraw/zinc/08/52/45/263085245.db2.gz GOIWVIPXPCGLSF-CQSZACIVSA-N 1 2 262.353 2.395 20 30 CEEDLO Cc1cnn(C)c1CNc1[nH+]cccc1OCCCC#N ZINC000285071182 263089800 /nfs/dbraw/zinc/08/98/00/263089800.db2.gz IYYKAIDHJVPMBG-UHFFFAOYSA-N 1 2 285.351 2.418 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000285338532 263092245 /nfs/dbraw/zinc/09/22/45/263092245.db2.gz OOAFYYNJJMBNTF-BXUZGUMPSA-N 1 2 260.341 2.056 20 30 CEEDLO CC[C@@](C)(C#N)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000288861062 263106311 /nfs/dbraw/zinc/10/63/11/263106311.db2.gz BVFSLDIHJCUKFH-HNNXBMFYSA-N 1 2 281.319 2.499 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/CCc2cccnc2OC)c1 ZINC000290533694 263117496 /nfs/dbraw/zinc/11/74/96/263117496.db2.gz KYUIPRRSEBTECS-GZTJUZNOSA-N 1 2 286.331 2.466 20 30 CEEDLO COc1ccc([C@@H](O)C2CC[NH+](CCC#N)CC2)cc1 ZINC000291245902 263120805 /nfs/dbraw/zinc/12/08/05/263120805.db2.gz VNWMUPOSAOPZBH-MRXNPFEDSA-N 1 2 274.364 2.354 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000292091862 263128155 /nfs/dbraw/zinc/12/81/55/263128155.db2.gz FNVXANWXPPBGDL-UHFFFAOYSA-N 1 2 258.321 2.359 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000292091862 263128156 /nfs/dbraw/zinc/12/81/56/263128156.db2.gz FNVXANWXPPBGDL-UHFFFAOYSA-N 1 2 258.321 2.359 20 30 CEEDLO C=CCC(C)(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000292124654 263128626 /nfs/dbraw/zinc/12/86/26/263128626.db2.gz BFPIBFNGZPHRLH-UHFFFAOYSA-N 1 2 261.369 2.366 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000292768823 263134979 /nfs/dbraw/zinc/13/49/79/263134979.db2.gz JLJVDAVGDZGFRK-BARDWOONSA-N 1 2 290.363 2.096 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000292768823 263134980 /nfs/dbraw/zinc/13/49/80/263134980.db2.gz JLJVDAVGDZGFRK-BARDWOONSA-N 1 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FUCPXLHHVLFAJR-ZDUSSCGKSA-N 1 2 269.352 2.391 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000297766278 263209597 /nfs/dbraw/zinc/20/95/97/263209597.db2.gz FUCPXLHHVLFAJR-ZDUSSCGKSA-N 1 2 269.352 2.391 20 30 CEEDLO C[C@H](O)CNc1cc(NCC2CCC(C#N)CC2)[nH+]cn1 ZINC000298948993 263227845 /nfs/dbraw/zinc/22/78/45/263227845.db2.gz PXENPZDMIQEMMG-HIFPTAJRSA-N 1 2 289.383 2.011 20 30 CEEDLO C[C@H](O)CNc1cc(NCC2CCC(C#N)CC2)nc[nH+]1 ZINC000298948993 263227846 /nfs/dbraw/zinc/22/78/46/263227846.db2.gz PXENPZDMIQEMMG-HIFPTAJRSA-N 1 2 289.383 2.011 20 30 CEEDLO C=CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340975578 263316926 /nfs/dbraw/zinc/31/69/26/263316926.db2.gz JJKOYFJXNWEJOB-CYBMUJFWSA-N 1 2 255.321 2.234 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)C#Cc1ccccc1 ZINC000366718467 263317056 /nfs/dbraw/zinc/31/70/56/263317056.db2.gz GDJPAJBQKHRLPH-HNNXBMFYSA-N 1 2 279.343 2.135 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000341986340 263381198 /nfs/dbraw/zinc/38/11/98/263381198.db2.gz YZMMZZAMUJPWHW-UHFFFAOYSA-N 1 2 263.341 2.044 20 30 CEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)CC1(C#N)CC1 ZINC000343234993 263805441 /nfs/dbraw/zinc/80/54/41/263805441.db2.gz DFBQRCPEFJSTGF-GFCCVEGCSA-N 1 2 258.321 2.062 20 30 CEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)CC1(C#N)CC1 ZINC000343234993 263805443 /nfs/dbraw/zinc/80/54/43/263805443.db2.gz DFBQRCPEFJSTGF-GFCCVEGCSA-N 1 2 258.321 2.062 20 30 CEEDLO CC(C)[C@H](NC(=O)C[C@@H]1CCOC1)c1[nH]cc[nH+]1 ZINC000328765340 263858397 /nfs/dbraw/zinc/85/83/97/263858397.db2.gz PBWQONCZNVGZJD-JQWIXIFHSA-N 1 2 251.330 2.490 20 30 CEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000330833675 264050502 /nfs/dbraw/zinc/05/05/02/264050502.db2.gz KPPJLOVNPNOAQX-AVGNSLFASA-N 1 2 289.383 2.073 20 30 CEEDLO CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000330836687 264050969 /nfs/dbraw/zinc/05/09/69/264050969.db2.gz LWMIMRHVPDZDGW-RRFJBIMHSA-N 1 2 271.364 2.098 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000330974453 264101077 /nfs/dbraw/zinc/10/10/77/264101077.db2.gz HAQWWVATGVZWDW-MOKVOYLWSA-N 1 2 265.401 2.305 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000330974453 264101079 /nfs/dbraw/zinc/10/10/79/264101079.db2.gz HAQWWVATGVZWDW-MOKVOYLWSA-N 1 2 265.401 2.305 20 30 CEEDLO COC[C@](C)(C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331064883 264111622 /nfs/dbraw/zinc/11/16/22/264111622.db2.gz PKUCPESSVWCJNF-HNNXBMFYSA-N 1 2 286.335 2.115 20 30 CEEDLO CC(C)c1occc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000331093417 264120255 /nfs/dbraw/zinc/12/02/55/264120255.db2.gz ZCJLAFAQJVFBPC-LBPRGKRZSA-N 1 2 280.368 2.428 20 30 CEEDLO CC(C)[C@](C)(CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000331161150 264143185 /nfs/dbraw/zinc/14/31/85/264143185.db2.gz CWYYOGQEDBEZKE-AWEZNQCLSA-N 1 2 261.325 2.046 20 30 CEEDLO C=C[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000331212174 264163059 /nfs/dbraw/zinc/16/30/59/264163059.db2.gz ZOLGFEUQGPLYMA-LLVKDONJSA-N 1 2 290.367 2.127 20 30 CEEDLO CO[C@@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331242362 264176909 /nfs/dbraw/zinc/17/69/09/264176909.db2.gz QWVFTIRSQKETFP-JTQLQIEISA-N 1 2 251.330 2.368 20 30 CEEDLO Cc1cc(C)c(NC(=O)NC[C@@H](C)CCO)c(C)[nH+]1 ZINC000331250349 264181010 /nfs/dbraw/zinc/18/10/10/264181010.db2.gz YLXRDFQMHMSYNU-VIFPVBQESA-N 1 2 265.357 2.351 20 30 CEEDLO C=CCCC[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000189865352 264335482 /nfs/dbraw/zinc/33/54/82/264335482.db2.gz KKBWHDIOFKCZSG-DOMZBBRYSA-N 1 2 269.385 2.289 20 30 CEEDLO C=C(CNC(=O)N(C)Cc1[nH+]ccn1C)c1ccccc1 ZINC000288156027 264669958 /nfs/dbraw/zinc/66/99/58/264669958.db2.gz ZVLURCMKBNHSLW-UHFFFAOYSA-N 1 2 284.363 2.275 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1nccnc1OC)c1ccccc1 ZINC000294091111 265007144 /nfs/dbraw/zinc/00/71/44/265007144.db2.gz BEAVCXVKJLMWDH-AWEZNQCLSA-N 1 2 267.332 2.339 20 30 CEEDLO CCN(CC#N)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000114251446 266061314 /nfs/dbraw/zinc/06/13/14/266061314.db2.gz MUSROVJJDWAITJ-UHFFFAOYSA-N 1 2 268.320 2.166 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1 ZINC000356477797 266122625 /nfs/dbraw/zinc/12/26/25/266122625.db2.gz PHTCOSWMMGGPHI-UONOGXRCSA-N 1 2 273.380 2.173 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1 ZINC000356477797 266122631 /nfs/dbraw/zinc/12/26/31/266122631.db2.gz PHTCOSWMMGGPHI-UONOGXRCSA-N 1 2 273.380 2.173 20 30 CEEDLO C=CCN(C(=O)NCc1[nH+]ccn1CC(C)C)C1CC1 ZINC000357577732 266329616 /nfs/dbraw/zinc/32/96/16/266329616.db2.gz CINGOFBGIQKIDU-UHFFFAOYSA-N 1 2 276.384 2.399 20 30 CEEDLO COc1cccc(CCNc2cc(C)[nH+]cc2C#N)c1 ZINC000399483858 266883148 /nfs/dbraw/zinc/88/31/48/266883148.db2.gz CVEVXSAJWZLWKN-UHFFFAOYSA-N 1 2 267.332 2.347 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000362543863 267005062 /nfs/dbraw/zinc/00/50/62/267005062.db2.gz XAFHUYXTULPKIA-ZDUSSCGKSA-N 1 2 284.363 2.305 20 30 CEEDLO CCCCCCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000367476403 267093699 /nfs/dbraw/zinc/09/36/99/267093699.db2.gz ILJYRMJSYNTNBW-LLVKDONJSA-N 1 2 262.344 2.460 20 30 CEEDLO C[C@H](C#N)Oc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000367942255 267129764 /nfs/dbraw/zinc/12/97/64/267129764.db2.gz LIHWIIGVVZHOCV-CYBMUJFWSA-N 1 2 282.347 2.190 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000368031812 267139383 /nfs/dbraw/zinc/13/93/83/267139383.db2.gz VXCLQQXGPNCXQF-CQSZACIVSA-N 1 2 253.305 2.388 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000368031812 267139385 /nfs/dbraw/zinc/13/93/85/267139385.db2.gz VXCLQQXGPNCXQF-CQSZACIVSA-N 1 2 253.305 2.388 20 30 CEEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487863873 267178232 /nfs/dbraw/zinc/17/82/32/267178232.db2.gz XUSIKQRFJZJPPK-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487863873 267178235 /nfs/dbraw/zinc/17/82/35/267178235.db2.gz XUSIKQRFJZJPPK-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO CC[C@H](F)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000440693533 267215489 /nfs/dbraw/zinc/21/54/89/267215489.db2.gz OJTCIWNRKXTFMT-INIZCTEOSA-N 1 2 275.371 2.424 20 30 CEEDLO CC[C@H](F)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000440693533 267215493 /nfs/dbraw/zinc/21/54/93/267215493.db2.gz OJTCIWNRKXTFMT-INIZCTEOSA-N 1 2 275.371 2.424 20 30 CEEDLO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(=O)OC ZINC000419369232 267223564 /nfs/dbraw/zinc/22/35/64/267223564.db2.gz HHZUZSRXICNHBF-LSDHHAIUSA-N 1 2 272.348 2.477 20 30 CEEDLO C=C(Br)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000369210729 267226471 /nfs/dbraw/zinc/22/64/71/267226471.db2.gz AUYAUTKXXXAWCN-MXWKQRLJSA-N 1 2 287.201 2.013 20 30 CEEDLO C=C(Br)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000369210729 267226472 /nfs/dbraw/zinc/22/64/72/267226472.db2.gz AUYAUTKXXXAWCN-MXWKQRLJSA-N 1 2 287.201 2.013 20 30 CEEDLO CCc1cc(N)nc(SCC(=O)c2cccc(C#N)c2)[nH+]1 ZINC000447786545 267243248 /nfs/dbraw/zinc/24/32/48/267243248.db2.gz MLUFLOXADVJVIC-UHFFFAOYSA-N 1 2 298.371 2.298 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)c1cccc(C#N)c1 ZINC000492255701 267256468 /nfs/dbraw/zinc/25/64/68/267256468.db2.gz ZTMAXGVZNDZETN-FPLPWBNLSA-N 1 2 280.331 2.451 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccc(C#N)cc1 ZINC000456345215 267257187 /nfs/dbraw/zinc/25/71/87/267257187.db2.gz HVSITGLGCUFOML-LBPRGKRZSA-N 1 2 298.346 2.031 20 30 CEEDLO CCn1ncnc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533303 267264812 /nfs/dbraw/zinc/26/48/12/267264812.db2.gz KOYSCBAJFTUHPQ-LBPRGKRZSA-N 1 2 269.352 2.363 20 30 CEEDLO CCn1ncnc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533303 267264815 /nfs/dbraw/zinc/26/48/15/267264815.db2.gz KOYSCBAJFTUHPQ-LBPRGKRZSA-N 1 2 269.352 2.363 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369849552 267272295 /nfs/dbraw/zinc/27/22/95/267272295.db2.gz CJHJTUKCTNJGSA-JSGCOSHPSA-N 1 2 294.358 2.141 20 30 CEEDLO Cc1cc(NC[C@H](C)c2nccs2)c(C#N)c[nH+]1 ZINC000399532305 267300527 /nfs/dbraw/zinc/30/05/27/267300527.db2.gz VKEXTNXHANRTSV-VIFPVBQESA-N 1 2 258.350 2.356 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000459295214 267309611 /nfs/dbraw/zinc/30/96/11/267309611.db2.gz HLMRIKBJCSMRFT-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000459295214 267309615 /nfs/dbraw/zinc/30/96/15/267309615.db2.gz HLMRIKBJCSMRFT-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO C[N@H+](CC#N)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000371248230 267377060 /nfs/dbraw/zinc/37/70/60/267377060.db2.gz ATQWWGJLTKPBEK-UHFFFAOYSA-N 1 2 286.379 2.386 20 30 CEEDLO C[N@@H+](CC#N)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000371248230 267377063 /nfs/dbraw/zinc/37/70/63/267377063.db2.gz ATQWWGJLTKPBEK-UHFFFAOYSA-N 1 2 286.379 2.386 20 30 CEEDLO C=CCCCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000373488308 267683390 /nfs/dbraw/zinc/68/33/90/267683390.db2.gz CNLWJCIATORCSG-UHFFFAOYSA-N 1 2 299.378 2.423 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375510856 267868265 /nfs/dbraw/zinc/86/82/65/267868265.db2.gz WRZIIESDJMYEOU-HUUCEWRRSA-N 1 2 285.391 2.355 20 30 CEEDLO Cc1nc(C)c(CCNc2cc(C)[nH+]cc2C#N)s1 ZINC000425224875 268072968 /nfs/dbraw/zinc/07/29/68/268072968.db2.gz KJCIYWCBOFIQIP-UHFFFAOYSA-N 1 2 272.377 2.412 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2n1C ZINC000531358512 268078961 /nfs/dbraw/zinc/07/89/61/268078961.db2.gz FUGCYNBGEMOIEI-UHFFFAOYSA-N 1 2 279.303 2.334 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425229364 271141807 /nfs/dbraw/zinc/14/18/07/271141807.db2.gz BWAHODHIHSVYNI-UHFFFAOYSA-N 1 2 285.307 2.189 20 30 CEEDLO Cc1cc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425239693 271143439 /nfs/dbraw/zinc/14/34/39/271143439.db2.gz XFMYVLQUZTULRK-GFCCVEGCSA-N 1 2 287.363 2.430 20 30 CEEDLO COc1cc[nH+]c(Cn2cc(C#N)c(=O)c3ccccc32)c1 ZINC000432554328 271500252 /nfs/dbraw/zinc/50/02/52/271500252.db2.gz RRRZWHOUXIQPPA-UHFFFAOYSA-N 1 2 291.310 2.325 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)NCc1cccc(C#N)c1 ZINC000136332759 280060516 /nfs/dbraw/zinc/06/05/16/280060516.db2.gz CWJRPMGFDXNDJF-VOTSOKGWSA-N 1 2 280.331 2.104 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334939993 280203630 /nfs/dbraw/zinc/20/36/30/280203630.db2.gz ZXOANZKLASXAMH-GFCCVEGCSA-N 1 2 280.331 2.264 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC(=O)c2cccn21 ZINC000329622953 280259248 /nfs/dbraw/zinc/25/92/48/280259248.db2.gz RZPPLQULJYKRCA-QMTHXVAHSA-N 1 2 298.346 2.243 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC(=O)c2cccn21 ZINC000329622953 280259251 /nfs/dbraw/zinc/25/92/51/280259251.db2.gz RZPPLQULJYKRCA-QMTHXVAHSA-N 1 2 298.346 2.243 20 30 CEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@H]1C ZINC000339560484 288250322 /nfs/dbraw/zinc/25/03/22/288250322.db2.gz BKZDUDUZENHTKY-JFGNBEQYSA-N 1 2 275.377 2.065 20 30 CEEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@H]1C ZINC000339560484 288250323 /nfs/dbraw/zinc/25/03/23/288250323.db2.gz BKZDUDUZENHTKY-JFGNBEQYSA-N 1 2 275.377 2.065 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(C#N)cc1 ZINC000158621925 289236873 /nfs/dbraw/zinc/23/68/73/289236873.db2.gz ZACYWZOQDCPUGO-BQYQJAHWSA-N 1 2 266.304 2.427 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C)c(C#N)c1C ZINC000173991734 294036241 /nfs/dbraw/zinc/03/62/41/294036241.db2.gz XNCOLVYWWHNATI-VIFPVBQESA-N 1 2 261.325 2.191 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C)c(C#N)c1C ZINC000173991734 294036246 /nfs/dbraw/zinc/03/62/46/294036246.db2.gz XNCOLVYWWHNATI-VIFPVBQESA-N 1 2 261.325 2.191 20 30 CEEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)o1 ZINC000874889503 649864106 /nfs/dbraw/zinc/86/41/06/649864106.db2.gz LMKCEVRWUZBSPK-AWEZNQCLSA-N 1 2 299.305 2.077 20 30 CEEDLO Cc1cc(NC(=O)c2cccc(F)c2C#N)c(C)c[nH+]1 ZINC000547959239 313550104 /nfs/dbraw/zinc/55/01/04/313550104.db2.gz KPXBYXBNGDDWPN-UHFFFAOYSA-N 1 2 269.279 2.383 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000547971818 313551778 /nfs/dbraw/zinc/55/17/78/313551778.db2.gz IFUYPXLYODVRPT-JTQLQIEISA-N 1 2 288.738 2.227 20 30 CEEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571766421 314104332 /nfs/dbraw/zinc/10/43/32/314104332.db2.gz UYSBRPCPRAXWCH-CYBMUJFWSA-N 1 2 263.272 2.400 20 30 CEEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571766421 314104334 /nfs/dbraw/zinc/10/43/34/314104334.db2.gz UYSBRPCPRAXWCH-CYBMUJFWSA-N 1 2 263.272 2.400 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)c2cscc2C#N)c2[nH+]ccn21 ZINC000571876119 314109541 /nfs/dbraw/zinc/10/95/41/314109541.db2.gz ATIQOGKESXHTRB-LDYMZIIASA-N 1 2 272.333 2.252 20 30 CEEDLO Cc1c(C[N@H+](C)Cc2ccc(F)cc2C#N)cnn1C ZINC000576070333 314238766 /nfs/dbraw/zinc/23/87/66/314238766.db2.gz GUHCQPLENLQXNJ-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO Cc1c(C[N@@H+](C)Cc2ccc(F)cc2C#N)cnn1C ZINC000576070333 314238769 /nfs/dbraw/zinc/23/87/69/314238769.db2.gz GUHCQPLENLQXNJ-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577496300 314383515 /nfs/dbraw/zinc/38/35/15/314383515.db2.gz IZJVGIJHRSGSEV-JTQLQIEISA-N 1 2 277.349 2.404 20 30 CEEDLO C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577496300 314383517 /nfs/dbraw/zinc/38/35/17/314383517.db2.gz IZJVGIJHRSGSEV-JTQLQIEISA-N 1 2 277.349 2.404 20 30 CEEDLO C[C@H](CC(=O)N[C@@H](C#N)C1CCCCC1)n1cc[nH+]c1 ZINC000571170274 328090384 /nfs/dbraw/zinc/09/03/84/328090384.db2.gz YYOMMCYXKXJPBH-OCCSQVGLSA-N 1 2 274.368 2.423 20 30 CEEDLO CC[N@H+](CCC#N)C[C@@H](O)c1cc(F)ccc1F ZINC000267034206 328171996 /nfs/dbraw/zinc/17/19/96/328171996.db2.gz BPZAMBUEJZQQAW-CYBMUJFWSA-N 1 2 254.280 2.234 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1cc(F)ccc1F ZINC000267034206 328171997 /nfs/dbraw/zinc/17/19/97/328171997.db2.gz BPZAMBUEJZQQAW-CYBMUJFWSA-N 1 2 254.280 2.234 20 30 CEEDLO CC(C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000268114089 328182707 /nfs/dbraw/zinc/18/27/07/328182707.db2.gz RRWIVEMPOQCRRI-UHFFFAOYSA-N 1 2 262.357 2.117 20 30 CEEDLO CN(C)c1[nH]c2ccc(NC(=O)C(C)(C)C#N)cc2[nH+]1 ZINC000278515190 328226014 /nfs/dbraw/zinc/22/60/14/328226014.db2.gz BVWPXIMWWWBNNJ-UHFFFAOYSA-N 1 2 271.324 2.117 20 30 CEEDLO C=CCC[C@@H](CO)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000456779010 328486012 /nfs/dbraw/zinc/48/60/12/328486012.db2.gz PBKVFAWQORJXGU-AWEZNQCLSA-N 1 2 299.374 2.238 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NCCC#N)c1cccc(F)c1 ZINC000557339306 327002216 /nfs/dbraw/zinc/00/22/16/327002216.db2.gz JIYQABBTDVSCNU-CYBMUJFWSA-N 1 2 258.300 2.152 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(Cl)c1 ZINC000558903125 327130994 /nfs/dbraw/zinc/13/09/94/327130994.db2.gz XVFNTKRAQQBLCE-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H](C)C(=O)OC)c1 ZINC000101799811 327222748 /nfs/dbraw/zinc/22/27/48/327222748.db2.gz WMSNBEWBEWUYKN-KXUVPBGPSA-N 1 2 265.309 2.019 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579124927 327357095 /nfs/dbraw/zinc/35/70/95/327357095.db2.gz YKROPEKMPGLJMM-GFCCVEGCSA-N 1 2 258.281 2.248 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373570870 328982672 /nfs/dbraw/zinc/98/26/72/328982672.db2.gz ZBGIGAIQOIKHAT-ZDUSSCGKSA-N 1 2 288.395 2.234 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccc(CC#N)cc1 ZINC000378550850 329054648 /nfs/dbraw/zinc/05/46/48/329054648.db2.gz ZPPBEASBBGYPRT-OAHLLOKOSA-N 1 2 294.358 2.463 20 30 CEEDLO CC(C)C[C@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582549937 329105964 /nfs/dbraw/zinc/10/59/64/329105964.db2.gz KVWFGQCIHNKJBO-GXTWGEPZSA-N 1 2 253.390 2.019 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCCC1 ZINC000177032113 329178326 /nfs/dbraw/zinc/17/83/26/329178326.db2.gz VZFWAKASVKHICG-UHFFFAOYSA-N 1 2 265.401 2.261 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCCC1 ZINC000177032113 329178328 /nfs/dbraw/zinc/17/83/28/329178328.db2.gz VZFWAKASVKHICG-UHFFFAOYSA-N 1 2 265.401 2.261 20 30 CEEDLO C=CC[NH+](CC=C)Cc1nc(N)c2ccccc2n1 ZINC000181092688 329225733 /nfs/dbraw/zinc/22/57/33/329225733.db2.gz WNCMKUMOPPEERR-UHFFFAOYSA-N 1 2 254.337 2.386 20 30 CEEDLO CC#CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184261989 329258546 /nfs/dbraw/zinc/25/85/46/329258546.db2.gz HHAINBQIXOKHEL-ZDUSSCGKSA-N 1 2 291.420 2.160 20 30 CEEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000185917678 329332681 /nfs/dbraw/zinc/33/26/81/329332681.db2.gz PHJQEAXWLYHTFK-INIZCTEOSA-N 1 2 290.794 2.421 20 30 CEEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000185917678 329332682 /nfs/dbraw/zinc/33/26/82/329332682.db2.gz PHJQEAXWLYHTFK-INIZCTEOSA-N 1 2 290.794 2.421 20 30 CEEDLO CC(C)Cn1ncnc1C[NH+]1CCC(CC#N)CC1 ZINC000397372714 329351004 /nfs/dbraw/zinc/35/10/04/329351004.db2.gz LPQFWOKNJXWSNR-UHFFFAOYSA-N 1 2 261.373 2.060 20 30 CEEDLO C=CCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189375688 329379569 /nfs/dbraw/zinc/37/95/69/329379569.db2.gz IZIVMRSXXUXMCG-UHFFFAOYSA-N 1 2 293.798 2.183 20 30 CEEDLO C=CCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189375688 329379570 /nfs/dbraw/zinc/37/95/70/329379570.db2.gz IZIVMRSXXUXMCG-UHFFFAOYSA-N 1 2 293.798 2.183 20 30 CEEDLO CC#CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425229409 329644738 /nfs/dbraw/zinc/64/47/38/329644738.db2.gz QFPLMJXRAGUDGQ-AWEZNQCLSA-N 1 2 267.332 2.071 20 30 CEEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000420943206 329794582 /nfs/dbraw/zinc/79/45/82/329794582.db2.gz HYFQCAWQORACNV-GJZGRUSLSA-N 1 2 280.412 2.076 20 30 CEEDLO Cc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1Cl ZINC000572232348 329959120 /nfs/dbraw/zinc/95/91/20/329959120.db2.gz URNHXHQYOAWTGP-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO C=CCN(c1nc(C)[nH+]c(N(CC=C)C2CC2)n1)C1CC1 ZINC000432830592 330050666 /nfs/dbraw/zinc/05/06/66/330050666.db2.gz RKURLJJGOQIBAH-UHFFFAOYSA-N 1 2 285.395 2.490 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000264472769 330061554 /nfs/dbraw/zinc/06/15/54/330061554.db2.gz NWTNGHVRGFQOCJ-ZDUSSCGKSA-N 1 2 276.384 2.443 20 30 CEEDLO C#CCCC[N@@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273035748 330090150 /nfs/dbraw/zinc/09/01/50/330090150.db2.gz CXHHDTQYLCBBNE-UHFFFAOYSA-N 1 2 261.321 2.088 20 30 CEEDLO C#CCCC[N@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273035748 330090152 /nfs/dbraw/zinc/09/01/52/330090152.db2.gz CXHHDTQYLCBBNE-UHFFFAOYSA-N 1 2 261.321 2.088 20 30 CEEDLO C#CCN(CC)c1cc(C)nc([C@@H](C)[N@H+](CC)CC#C)n1 ZINC000272805657 330094320 /nfs/dbraw/zinc/09/43/20/330094320.db2.gz GUIRFNWOYYXULR-OAHLLOKOSA-N 1 2 284.407 2.261 20 30 CEEDLO C#CCN(CC)c1cc(C)nc([C@@H](C)[N@@H+](CC)CC#C)n1 ZINC000272805657 330094321 /nfs/dbraw/zinc/09/43/21/330094321.db2.gz GUIRFNWOYYXULR-OAHLLOKOSA-N 1 2 284.407 2.261 20 30 CEEDLO C#CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)C1CC1 ZINC000274182179 330103279 /nfs/dbraw/zinc/10/32/79/330103279.db2.gz OZMSSTCWCQKAET-UHFFFAOYSA-N 1 2 283.331 2.343 20 30 CEEDLO C#CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)C1CC1 ZINC000274182179 330103280 /nfs/dbraw/zinc/10/32/80/330103280.db2.gz OZMSSTCWCQKAET-UHFFFAOYSA-N 1 2 283.331 2.343 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000580461675 330142152 /nfs/dbraw/zinc/14/21/52/330142152.db2.gz CCNRXUSHMMCLQJ-LLVKDONJSA-N 1 2 250.298 2.157 20 30 CEEDLO C[N@H+](CC(=O)NCc1cccc(Cl)c1)CC(C)(C)C#N ZINC000433306614 330217508 /nfs/dbraw/zinc/21/75/08/330217508.db2.gz SULXZXZZTCTTGC-UHFFFAOYSA-N 1 2 293.798 2.438 20 30 CEEDLO C[N@@H+](CC(=O)NCc1cccc(Cl)c1)CC(C)(C)C#N ZINC000433306614 330217510 /nfs/dbraw/zinc/21/75/10/330217510.db2.gz SULXZXZZTCTTGC-UHFFFAOYSA-N 1 2 293.798 2.438 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000424135206 330266146 /nfs/dbraw/zinc/26/61/46/330266146.db2.gz JCGVUJSCCFYULG-LLVKDONJSA-N 1 2 287.323 2.223 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(O)c2)nn1 ZINC000424289804 330334397 /nfs/dbraw/zinc/33/43/97/330334397.db2.gz AJBWUTIYWDMOFE-NSHDSACASA-N 1 2 258.325 2.021 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)nn1 ZINC000424301447 330337917 /nfs/dbraw/zinc/33/79/17/330337917.db2.gz ZXVBEICQCWHYBO-LLVKDONJSA-N 1 2 290.342 2.463 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000424532063 330368385 /nfs/dbraw/zinc/36/83/85/330368385.db2.gz ARIJJIYGNXVYQQ-UHFFFAOYSA-N 1 2 287.407 2.328 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)OCC ZINC000449654069 330942069 /nfs/dbraw/zinc/94/20/69/330942069.db2.gz DEQSYRNMSRPMAK-QNWHQSFQSA-N 1 2 255.358 2.040 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)OCC ZINC000449654070 330942137 /nfs/dbraw/zinc/94/21/37/330942137.db2.gz DEQSYRNMSRPMAK-ZDEQEGDKSA-N 1 2 255.358 2.040 20 30 CEEDLO N#CC1(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000451282310 331023025 /nfs/dbraw/zinc/02/30/25/331023025.db2.gz LDMSOUKNDYDYIY-GOEBONIOSA-N 1 2 274.339 2.090 20 30 CEEDLO N#CC1(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000451282310 331023026 /nfs/dbraw/zinc/02/30/26/331023026.db2.gz LDMSOUKNDYDYIY-GOEBONIOSA-N 1 2 274.339 2.090 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451834200 331044166 /nfs/dbraw/zinc/04/41/66/331044166.db2.gz IOGFPELAQIXKDR-AWEZNQCLSA-N 1 2 260.337 2.109 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451834200 331044167 /nfs/dbraw/zinc/04/41/67/331044167.db2.gz IOGFPELAQIXKDR-AWEZNQCLSA-N 1 2 260.337 2.109 20 30 CEEDLO C=CCC(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1ccccn1 ZINC000453224510 331103528 /nfs/dbraw/zinc/10/35/28/331103528.db2.gz BBVDORTYBFFALB-ZDUSSCGKSA-N 1 2 271.368 2.481 20 30 CEEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000454686526 331151340 /nfs/dbraw/zinc/15/13/40/331151340.db2.gz SARACVFLSNKWFV-ZDUSSCGKSA-N 1 2 288.351 2.091 20 30 CEEDLO C=C(CC)CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000454703645 331151868 /nfs/dbraw/zinc/15/18/68/331151868.db2.gz VCCMXVFUBHGWKT-LBPRGKRZSA-N 1 2 262.357 2.026 20 30 CEEDLO C=CC(C)(C)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000455364008 331167222 /nfs/dbraw/zinc/16/72/22/331167222.db2.gz IMUFHAYAKQPMSJ-GFCCVEGCSA-N 1 2 276.384 2.131 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(CC#N)c1 ZINC000456391210 331192071 /nfs/dbraw/zinc/19/20/71/331192071.db2.gz PMVDFAVWUNIWDH-GFCCVEGCSA-N 1 2 282.347 2.460 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456400156 331192219 /nfs/dbraw/zinc/19/22/19/331192219.db2.gz DHMNZVZLRQRFMM-SLEUVZQESA-N 1 2 277.368 2.234 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)N(C)CC(C)(C)C#N)cn21 ZINC000458376836 331250384 /nfs/dbraw/zinc/25/03/84/331250384.db2.gz VLXAXHKSOZDEPT-UHFFFAOYSA-N 1 2 299.378 2.334 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC ZINC000459000474 331265610 /nfs/dbraw/zinc/26/56/10/331265610.db2.gz HWGQHMCDDVOKJW-GFCCVEGCSA-N 1 2 262.357 2.153 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459127399 331270863 /nfs/dbraw/zinc/27/08/63/331270863.db2.gz XNYOOFIXQVSAJE-NEPJUHHUSA-N 1 2 262.357 2.497 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000489402516 332050290 /nfs/dbraw/zinc/05/02/90/332050290.db2.gz MJTBCIDWYJCHQU-OAHLLOKOSA-N 1 2 286.375 2.026 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000489402516 332050291 /nfs/dbraw/zinc/05/02/91/332050291.db2.gz MJTBCIDWYJCHQU-OAHLLOKOSA-N 1 2 286.375 2.026 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cccc(NC(C)=O)c1 ZINC000490695330 332105376 /nfs/dbraw/zinc/10/53/76/332105376.db2.gz DIXQVOGQZJDXFC-UHFFFAOYSA-N 1 2 254.333 2.104 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cccc(NC(C)=O)c1 ZINC000490695330 332105378 /nfs/dbraw/zinc/10/53/78/332105378.db2.gz DIXQVOGQZJDXFC-UHFFFAOYSA-N 1 2 254.333 2.104 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000491325760 332189902 /nfs/dbraw/zinc/18/99/02/332189902.db2.gz GRTAXANRHOPYLS-LLVKDONJSA-N 1 2 271.320 2.199 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000491325760 332189904 /nfs/dbraw/zinc/18/99/04/332189904.db2.gz GRTAXANRHOPYLS-LLVKDONJSA-N 1 2 271.320 2.199 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491351840 332195513 /nfs/dbraw/zinc/19/55/13/332195513.db2.gz VXBSIBJPULHDHJ-ZDUSSCGKSA-N 1 2 282.347 2.035 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000491632048 332254460 /nfs/dbraw/zinc/25/44/60/332254460.db2.gz SCIAUOCLAKYOJS-NSHDSACASA-N 1 2 281.425 2.193 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000491632048 332254461 /nfs/dbraw/zinc/25/44/61/332254461.db2.gz SCIAUOCLAKYOJS-NSHDSACASA-N 1 2 281.425 2.193 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000491662416 332272044 /nfs/dbraw/zinc/27/20/44/332272044.db2.gz BURKYJLKHJSLGI-JTQLQIEISA-N 1 2 282.746 2.049 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000491662416 332272045 /nfs/dbraw/zinc/27/20/45/332272045.db2.gz BURKYJLKHJSLGI-JTQLQIEISA-N 1 2 282.746 2.049 20 30 CEEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000491681693 332285019 /nfs/dbraw/zinc/28/50/19/332285019.db2.gz NYFGGZRMEFXYOF-HNNXBMFYSA-N 1 2 268.360 2.199 20 30 CEEDLO C#CCN(CC#CC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491737141 332317305 /nfs/dbraw/zinc/31/73/05/332317305.db2.gz VTORSAVNVKPWSW-UHFFFAOYSA-N 1 2 291.354 2.030 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000491740399 332319592 /nfs/dbraw/zinc/31/95/92/332319592.db2.gz VASRQQGZKOANRX-LLVKDONJSA-N 1 2 290.754 2.199 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000491743191 332321380 /nfs/dbraw/zinc/32/13/80/332321380.db2.gz MKDQJDIFUMCNGD-UHFFFAOYSA-N 1 2 298.346 2.447 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000491743191 332321381 /nfs/dbraw/zinc/32/13/81/332321381.db2.gz MKDQJDIFUMCNGD-UHFFFAOYSA-N 1 2 298.346 2.447 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000491781533 332345575 /nfs/dbraw/zinc/34/55/75/332345575.db2.gz LZTOFSPIUNQMDT-QGZVFWFLSA-N 1 2 270.376 2.127 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000491781533 332345576 /nfs/dbraw/zinc/34/55/76/332345576.db2.gz LZTOFSPIUNQMDT-QGZVFWFLSA-N 1 2 270.376 2.127 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000491790280 332352426 /nfs/dbraw/zinc/35/24/26/332352426.db2.gz YGLUIMPHHHGYBI-MRXNPFEDSA-N 1 2 299.370 2.452 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000491790280 332352427 /nfs/dbraw/zinc/35/24/27/332352427.db2.gz YGLUIMPHHHGYBI-MRXNPFEDSA-N 1 2 299.370 2.452 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(CC#N)c1ccccc1 ZINC000492407875 332396071 /nfs/dbraw/zinc/39/60/71/332396071.db2.gz LPUMRUHPZLCHDZ-HJWRWDBZSA-N 1 2 280.331 2.473 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\Sc1ccccc1 ZINC000493552408 332444724 /nfs/dbraw/zinc/44/47/24/332444724.db2.gz KRZKPFXAWKHWPG-KVPUOBJLSA-N 1 2 289.404 2.252 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cccc(Cl)c1 ZINC000493662572 332449033 /nfs/dbraw/zinc/44/90/33/332449033.db2.gz WZEFXRCWJZUMJY-MVGZEHJDSA-N 1 2 291.782 2.313 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000517211124 333094907 /nfs/dbraw/zinc/09/49/07/333094907.db2.gz SPNZIGREKINOPQ-CYBMUJFWSA-N 1 2 299.296 2.279 20 30 CEEDLO Cc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)C#N ZINC000525993694 333417633 /nfs/dbraw/zinc/41/76/33/333417633.db2.gz NLMQULQTWNACNC-LBPRGKRZSA-N 1 2 254.337 2.430 20 30 CEEDLO N#CCC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000541980778 333804939 /nfs/dbraw/zinc/80/49/39/333804939.db2.gz MGXKQNOWCQLUSK-UHFFFAOYSA-N 1 2 295.346 2.033 20 30 CEEDLO CC#CCNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000134992620 334111315 /nfs/dbraw/zinc/11/13/15/334111315.db2.gz AIBUVKDOXMJYPS-UHFFFAOYSA-N 1 2 273.380 2.226 20 30 CEEDLO CC#CCNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000134992620 334111316 /nfs/dbraw/zinc/11/13/16/334111316.db2.gz AIBUVKDOXMJYPS-UHFFFAOYSA-N 1 2 273.380 2.226 20 30 CEEDLO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309695 334642275 /nfs/dbraw/zinc/64/22/75/334642275.db2.gz RJEMDQNWFFUGEU-VNHYZAJKSA-N 1 2 265.401 2.163 20 30 CEEDLO C=C(C)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000156405492 334741875 /nfs/dbraw/zinc/74/18/75/334741875.db2.gz BDPXESQNPKXVNN-UHFFFAOYSA-N 1 2 298.390 2.349 20 30 CEEDLO Cc1ccc(Cl)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576469200 335208084 /nfs/dbraw/zinc/20/80/84/335208084.db2.gz NXDTVOUSERLIBN-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO CCCC[C@H](CC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576470367 335208333 /nfs/dbraw/zinc/20/83/33/335208333.db2.gz XHSUBZXQXWRPIU-JSGCOSHPSA-N 1 2 253.390 2.163 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000577624998 335381239 /nfs/dbraw/zinc/38/12/39/335381239.db2.gz GNLCTFRUMRFGIA-GJZGRUSLSA-N 1 2 289.379 2.089 20 30 CEEDLO C=CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000581953707 336178730 /nfs/dbraw/zinc/17/87/30/336178730.db2.gz WNMOOWVFVFNZLJ-ZDUSSCGKSA-N 1 2 261.369 2.308 20 30 CEEDLO C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330193404 533815938 /nfs/dbraw/zinc/81/59/38/533815938.db2.gz YNDSNSIUYWPHLU-AGIUHOORSA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330193404 533815944 /nfs/dbraw/zinc/81/59/44/533815944.db2.gz YNDSNSIUYWPHLU-AGIUHOORSA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ncnn1C ZINC000353194802 533929340 /nfs/dbraw/zinc/92/93/40/533929340.db2.gz SYYIYINDWOJBNW-ZDUSSCGKSA-N 1 2 299.378 2.348 20 30 CEEDLO C[C@H](c1cccc(NC(=O)[C@@H](C)C#N)c1)[NH+]1CCOCC1 ZINC000347136034 534130258 /nfs/dbraw/zinc/13/02/58/534130258.db2.gz NRKQCDLENCWVDR-QWHCGFSZSA-N 1 2 287.363 2.178 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@H](C)C#N)c1 ZINC000344237177 534240961 /nfs/dbraw/zinc/24/09/61/534240961.db2.gz OVBHTLKNVFEEMG-CYBMUJFWSA-N 1 2 282.347 2.412 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184889672 518634190 /nfs/dbraw/zinc/63/41/90/518634190.db2.gz WYQJBGZSWQIOCZ-AWEZNQCLSA-N 1 2 273.380 2.333 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000049574178 520765826 /nfs/dbraw/zinc/76/58/26/520765826.db2.gz FHKBMCRNIXFOBZ-UHFFFAOYSA-N 1 2 258.321 2.086 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000049574178 520765832 /nfs/dbraw/zinc/76/58/32/520765832.db2.gz FHKBMCRNIXFOBZ-UHFFFAOYSA-N 1 2 258.321 2.086 20 30 CEEDLO N#CC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000333390145 534586361 /nfs/dbraw/zinc/58/63/61/534586361.db2.gz CKKIACFNVBYWIH-UHFFFAOYSA-N 1 2 269.308 2.102 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC(C)(C#N)C1 ZINC000336468371 534677250 /nfs/dbraw/zinc/67/72/50/534677250.db2.gz IVFJVTBKKQKPEK-UHFFFAOYSA-N 1 2 282.347 2.107 20 30 CEEDLO CC(C)OCCC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356124130 527936579 /nfs/dbraw/zinc/93/65/79/527936579.db2.gz OYLCFQSWCZEULP-UHFFFAOYSA-N 1 2 253.371 2.262 20 30 CEEDLO CC(C)OCCC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356124130 527936585 /nfs/dbraw/zinc/93/65/85/527936585.db2.gz OYLCFQSWCZEULP-UHFFFAOYSA-N 1 2 253.371 2.262 20 30 CEEDLO C#Cc1cccc(NC(=S)NCCNc2cccc[nH+]2)c1 ZINC000726443103 574426594 /nfs/dbraw/zinc/42/65/94/574426594.db2.gz LTXCHMNIORGUPU-UHFFFAOYSA-N 1 2 296.399 2.461 20 30 CEEDLO Cc1cccn2cc(COC(=O)c3cc(C#N)cn3C)[nH+]c12 ZINC000751730145 574472316 /nfs/dbraw/zinc/47/23/16/574472316.db2.gz YYHSLFFFSLORTL-UHFFFAOYSA-N 1 2 294.314 2.210 20 30 CEEDLO CO[C@H]1CCCCC1=[NH+]n1cc(Br)cn1 ZINC000752747211 574480138 /nfs/dbraw/zinc/48/01/38/574480138.db2.gz OXUUGTGCYHORNO-JTQLQIEISA-N 1 2 272.146 2.439 20 30 CEEDLO Cc1ccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000729936212 574496512 /nfs/dbraw/zinc/49/65/12/574496512.db2.gz LPHAXCVDKRAAMK-UHFFFAOYSA-N 1 2 278.319 2.417 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000730060473 574499681 /nfs/dbraw/zinc/49/96/81/574499681.db2.gz XSJUVEOBRPFQRQ-LLVKDONJSA-N 1 2 258.793 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000730060473 574499683 /nfs/dbraw/zinc/49/96/83/574499683.db2.gz XSJUVEOBRPFQRQ-LLVKDONJSA-N 1 2 258.793 2.366 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2scnc2c1 ZINC000730283189 574513534 /nfs/dbraw/zinc/51/35/34/574513534.db2.gz UUMJXOZWTHECMC-ZDUSSCGKSA-N 1 2 285.372 2.332 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2scnc2c1 ZINC000730283189 574513535 /nfs/dbraw/zinc/51/35/35/574513535.db2.gz UUMJXOZWTHECMC-ZDUSSCGKSA-N 1 2 285.372 2.332 20 30 CEEDLO COCCOc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731156936 574590432 /nfs/dbraw/zinc/59/04/32/574590432.db2.gz PRHWUJFHGSZKPF-VOTSOKGWSA-N 1 2 272.304 2.331 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C)oc2c1 ZINC000732056780 574611411 /nfs/dbraw/zinc/61/14/11/574611411.db2.gz WEFDEJJQNIUJLZ-AWEZNQCLSA-N 1 2 283.331 2.172 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C)oc2c1 ZINC000732056780 574611412 /nfs/dbraw/zinc/61/14/12/574611412.db2.gz WEFDEJJQNIUJLZ-AWEZNQCLSA-N 1 2 283.331 2.172 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)[C@H](CC)Cc2ccccc2)CC1 ZINC000732838141 574633119 /nfs/dbraw/zinc/63/31/19/574633119.db2.gz AXPVMCMIQKLFRR-QGZVFWFLSA-N 1 2 284.403 2.033 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC)Cc2ccccc2)CC1 ZINC000732838140 574633177 /nfs/dbraw/zinc/63/31/77/574633177.db2.gz AXPVMCMIQKLFRR-KRWDZBQOSA-N 1 2 284.403 2.033 20 30 CEEDLO Cc1ccc2[nH+]c(COC(=O)c3ccc(C#N)nc3)cn2c1 ZINC000734602441 574722724 /nfs/dbraw/zinc/72/27/24/574722724.db2.gz KQESAXVWVPCZGB-UHFFFAOYSA-N 1 2 292.298 2.266 20 30 CEEDLO Cc1cc(NNC(=S)Nc2ccccc2C#N)nc(C)[nH+]1 ZINC000735989339 574773377 /nfs/dbraw/zinc/77/33/77/574773377.db2.gz IJEILYJVXYNRQZ-UHFFFAOYSA-N 1 2 298.375 2.279 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000736075076 574775449 /nfs/dbraw/zinc/77/54/49/574775449.db2.gz WZVTUKDJUQRCPR-HNNXBMFYSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000736075076 574775450 /nfs/dbraw/zinc/77/54/50/574775450.db2.gz WZVTUKDJUQRCPR-HNNXBMFYSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000736175598 574777710 /nfs/dbraw/zinc/77/77/10/574777710.db2.gz JDKDSAXAPZRDMG-AWEZNQCLSA-N 1 2 286.379 2.103 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000736175598 574777711 /nfs/dbraw/zinc/77/77/11/574777711.db2.gz JDKDSAXAPZRDMG-AWEZNQCLSA-N 1 2 286.379 2.103 20 30 CEEDLO CCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000736296290 574781250 /nfs/dbraw/zinc/78/12/50/574781250.db2.gz BVJMVUSBHVAJIB-MRVPVSSYSA-N 1 2 278.287 2.169 20 30 CEEDLO Cc1ccc(CC[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000736310958 574782104 /nfs/dbraw/zinc/78/21/04/574782104.db2.gz AKZQRTYKNRTNQP-QGZVFWFLSA-N 1 2 269.392 2.210 20 30 CEEDLO Cc1ccc(CC[N@H+]2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000736310958 574782105 /nfs/dbraw/zinc/78/21/05/574782105.db2.gz AKZQRTYKNRTNQP-QGZVFWFLSA-N 1 2 269.392 2.210 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1C#N ZINC000741145046 574977109 /nfs/dbraw/zinc/97/71/09/574977109.db2.gz KGMUDOFGRTYFAW-AWEZNQCLSA-N 1 2 258.321 2.086 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1C#N ZINC000741145046 574977111 /nfs/dbraw/zinc/97/71/11/574977111.db2.gz KGMUDOFGRTYFAW-AWEZNQCLSA-N 1 2 258.321 2.086 20 30 CEEDLO C=C(C)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741380956 574983704 /nfs/dbraw/zinc/98/37/04/574983704.db2.gz ATBPRPRUWKOBTA-HNNXBMFYSA-N 1 2 275.348 2.007 20 30 CEEDLO C=C(C)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741380956 574983705 /nfs/dbraw/zinc/98/37/05/574983705.db2.gz ATBPRPRUWKOBTA-HNNXBMFYSA-N 1 2 275.348 2.007 20 30 CEEDLO CCOCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000742354381 575016060 /nfs/dbraw/zinc/01/60/60/575016060.db2.gz LUGAWUDPUPYYIM-UHFFFAOYSA-N 1 2 254.305 2.198 20 30 CEEDLO CNc1[nH+]c(C)ccc1C(=O)OCc1ccnc(C#N)c1 ZINC000747020052 575166285 /nfs/dbraw/zinc/16/62/85/575166285.db2.gz HCFXNISBZVFFHZ-UHFFFAOYSA-N 1 2 282.303 2.055 20 30 CEEDLO O=C(C#Cc1ccccc1)NCc1cn2ccccc2[nH+]1 ZINC000747349450 575169676 /nfs/dbraw/zinc/16/96/76/575169676.db2.gz GLMDXIFKHUMUSX-UHFFFAOYSA-N 1 2 275.311 2.002 20 30 CEEDLO Brc1cnn(N=Cc2cccc3[nH+]ccn32)c1 ZINC000752748251 575314320 /nfs/dbraw/zinc/31/43/20/575314320.db2.gz UNBUUJDFSNGFHI-UHFFFAOYSA-N 1 2 290.124 2.176 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)c(CC)o2)C1 ZINC000957127683 612991754 /nfs/dbraw/zinc/99/17/54/612991754.db2.gz YZLVOIVDIUPUGE-UHFFFAOYSA-N 1 2 288.391 2.320 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000951580897 612992249 /nfs/dbraw/zinc/99/22/49/612992249.db2.gz AJVRXRSDMPWXRL-UHFFFAOYSA-N 1 2 295.386 2.338 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2OC)C1 ZINC000957310147 613296868 /nfs/dbraw/zinc/29/68/68/613296868.db2.gz GQKLEMOSOPMWGY-UHFFFAOYSA-N 1 2 288.391 2.418 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C(C)C)c2)C1 ZINC000957123870 613297368 /nfs/dbraw/zinc/29/73/68/613297368.db2.gz ZTWZKVNZCQCHOD-UHFFFAOYSA-N 1 2 290.411 2.186 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(F)ccc2OC)CC1 ZINC000949560803 613320567 /nfs/dbraw/zinc/32/05/67/613320567.db2.gz SQEOKHAWDUCOIV-UHFFFAOYSA-N 1 2 292.354 2.168 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000957114361 613321808 /nfs/dbraw/zinc/32/18/08/613321808.db2.gz AXKFVLSWVZPOLE-UHFFFAOYSA-N 1 2 289.379 2.276 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2occc2Cl)CC1 ZINC000950084275 613322070 /nfs/dbraw/zinc/32/20/70/613322070.db2.gz FZPBBVWTWVRELG-UHFFFAOYSA-N 1 2 268.744 2.267 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000980989838 613373600 /nfs/dbraw/zinc/37/36/00/613373600.db2.gz MCALAMQHGPOQKU-LBPRGKRZSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000980989838 613373601 /nfs/dbraw/zinc/37/36/01/613373601.db2.gz MCALAMQHGPOQKU-LBPRGKRZSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000966203420 613377693 /nfs/dbraw/zinc/37/76/93/613377693.db2.gz YAPMLMYULWNPQX-GWCFXTLKSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000966203420 613377694 /nfs/dbraw/zinc/37/76/94/613377694.db2.gz YAPMLMYULWNPQX-GWCFXTLKSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000972807858 613379786 /nfs/dbraw/zinc/37/97/86/613379786.db2.gz IDTTVEYDQUQTPH-GFCCVEGCSA-N 1 2 282.771 2.472 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000972807858 613379787 /nfs/dbraw/zinc/37/97/87/613379787.db2.gz IDTTVEYDQUQTPH-GFCCVEGCSA-N 1 2 282.771 2.472 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)C(C)(C)C1 ZINC000972802537 613379937 /nfs/dbraw/zinc/37/99/37/613379937.db2.gz NDBWMVQLHWVRPY-GFCCVEGCSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)C(C)(C)C1 ZINC000972802537 613379938 /nfs/dbraw/zinc/37/99/38/613379938.db2.gz NDBWMVQLHWVRPY-GFCCVEGCSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC000972745405 613381033 /nfs/dbraw/zinc/38/10/33/613381033.db2.gz CHNYRSGPUOEZNS-JTQLQIEISA-N 1 2 276.783 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC000972745405 613381034 /nfs/dbraw/zinc/38/10/34/613381034.db2.gz CHNYRSGPUOEZNS-JTQLQIEISA-N 1 2 276.783 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cscn2)C(C)(C)C1 ZINC000972849641 613381119 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ZINC000950099375 613711099 /nfs/dbraw/zinc/71/10/99/613711099.db2.gz MVCXWOJVFXNWIS-ZIAGYGMSSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ccn(C)c3c2)CC1 ZINC000957072132 613716078 /nfs/dbraw/zinc/71/60/78/613716078.db2.gz AHQZVISYZUKSMP-UHFFFAOYSA-N 1 2 283.375 2.122 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972319508 613723552 /nfs/dbraw/zinc/72/35/52/613723552.db2.gz LIYBESCXLASYEP-KRWDZBQOSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972319508 613723555 /nfs/dbraw/zinc/72/35/55/613723555.db2.gz LIYBESCXLASYEP-KRWDZBQOSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972229827 613725070 /nfs/dbraw/zinc/72/50/70/613725070.db2.gz BYXUOXRPDAQDHX-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972229827 613725073 /nfs/dbraw/zinc/72/50/73/613725073.db2.gz BYXUOXRPDAQDHX-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO 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CEEDLO C[C@@H]([NH2+]CC(=O)NCCC#N)c1ncc(-c2ccccc2)o1 ZINC000754855802 644441776 /nfs/dbraw/zinc/44/17/76/644441776.db2.gz VZOBWLRIVQCEEN-GFCCVEGCSA-N 1 2 298.346 2.022 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)o1 ZINC000877820517 650921668 /nfs/dbraw/zinc/92/16/68/650921668.db2.gz RCLPCWIMMQKMLA-LLVKDONJSA-N 1 2 274.242 2.304 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)o1 ZINC000877820517 650921670 /nfs/dbraw/zinc/92/16/70/650921670.db2.gz RCLPCWIMMQKMLA-LLVKDONJSA-N 1 2 274.242 2.304 20 30 CEEDLO C[C@H]1[C@H](CO)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000839669067 644766673 /nfs/dbraw/zinc/76/66/73/644766673.db2.gz LHRQYWVKCWOUKY-HOCLYGCPSA-N 1 2 288.391 2.420 20 30 CEEDLO C[C@H]1[C@H](CO)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000839669067 644766686 /nfs/dbraw/zinc/76/66/86/644766686.db2.gz LHRQYWVKCWOUKY-HOCLYGCPSA-N 1 2 288.391 2.420 20 30 CEEDLO COCCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000758774029 644957100 /nfs/dbraw/zinc/95/71/00/644957100.db2.gz XGASSLDEEQLBRT-UHFFFAOYSA-N 1 2 287.157 2.123 20 30 CEEDLO C=C(C)CNC(=S)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759133684 644986940 /nfs/dbraw/zinc/98/69/40/644986940.db2.gz DQHXIIFLVSRCHY-OLZOCXBDSA-N 1 2 278.425 2.217 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)c1nc(C)cs1)[C@@H]1CCCO1 ZINC000858406797 645144602 /nfs/dbraw/zinc/14/46/02/645144602.db2.gz WDNGUXDHZWOWHQ-WOPDTQHZSA-N 1 2 250.367 2.283 20 30 CEEDLO C=C(Cl)C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000859292878 645448064 /nfs/dbraw/zinc/44/80/64/645448064.db2.gz NBNLUVXXOLVULQ-HNNXBMFYSA-N 1 2 281.783 2.393 20 30 CEEDLO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000859292878 645448067 /nfs/dbraw/zinc/44/80/67/645448067.db2.gz NBNLUVXXOLVULQ-HNNXBMFYSA-N 1 2 281.783 2.393 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(F)(F)F)CC1 ZINC000878148860 651013339 /nfs/dbraw/zinc/01/33/39/651013339.db2.gz RMWJGLFFORQGSU-JTQLQIEISA-N 1 2 265.275 2.378 20 30 CEEDLO C[N@H+](CCCC#N)c1ccc(N2CCOCC2)cc1 ZINC000859380706 645472570 /nfs/dbraw/zinc/47/25/70/645472570.db2.gz QDZKFAWAIVIQIA-UHFFFAOYSA-N 1 2 259.353 2.263 20 30 CEEDLO C[N@@H+](CCCC#N)c1ccc(N2CCOCC2)cc1 ZINC000859380706 645472575 /nfs/dbraw/zinc/47/25/75/645472575.db2.gz QDZKFAWAIVIQIA-UHFFFAOYSA-N 1 2 259.353 2.263 20 30 CEEDLO C#CCCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000766744763 645920701 /nfs/dbraw/zinc/92/07/01/645920701.db2.gz ZFNWPBRKHIVVDD-GFCCVEGCSA-N 1 2 257.337 2.242 20 30 CEEDLO COc1cc(C#N)ccc1COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000766899135 645935060 /nfs/dbraw/zinc/93/50/60/645935060.db2.gz LVHKJAKTRAFGLB-AWEZNQCLSA-N 1 2 288.347 2.094 20 30 CEEDLO COc1cc(C#N)ccc1COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000766899135 645935061 /nfs/dbraw/zinc/93/50/61/645935061.db2.gz LVHKJAKTRAFGLB-AWEZNQCLSA-N 1 2 288.347 2.094 20 30 CEEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NCCC#N ZINC000769952952 646339757 /nfs/dbraw/zinc/33/97/57/646339757.db2.gz HXQFIGWOVOIZRH-VXGBXAGGSA-N 1 2 289.354 2.163 20 30 CEEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NCCC#N ZINC000769952952 646339762 /nfs/dbraw/zinc/33/97/62/646339762.db2.gz HXQFIGWOVOIZRH-VXGBXAGGSA-N 1 2 289.354 2.163 20 30 CEEDLO N#CCCN(Cc1ccco1)C(=O)c1cccc2[nH+]ccn21 ZINC000770415596 646389833 /nfs/dbraw/zinc/38/98/33/646389833.db2.gz SQDHJMVYPKFBNA-UHFFFAOYSA-N 1 2 294.314 2.483 20 30 CEEDLO Cc1nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)[nH]c1C ZINC000862400521 646440395 /nfs/dbraw/zinc/44/03/95/646440395.db2.gz ANQOMTNWSRVFBO-OAHLLOKOSA-N 1 2 284.363 2.064 20 30 CEEDLO Cc1nc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)[nH]c1C ZINC000862400521 646440399 /nfs/dbraw/zinc/44/03/99/646440399.db2.gz ANQOMTNWSRVFBO-OAHLLOKOSA-N 1 2 284.363 2.064 20 30 CEEDLO Cc1[nH]c(CN(C)C[C@@H](O)c2cccc(C#N)c2)[nH+]c1C ZINC000862400521 646440402 /nfs/dbraw/zinc/44/04/02/646440402.db2.gz ANQOMTNWSRVFBO-OAHLLOKOSA-N 1 2 284.363 2.064 20 30 CEEDLO Cc1nc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)[nH]c1C ZINC000862400519 646440445 /nfs/dbraw/zinc/44/04/45/646440445.db2.gz ANQOMTNWSRVFBO-HNNXBMFYSA-N 1 2 284.363 2.064 20 30 CEEDLO Cc1nc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)[nH]c1C ZINC000862400519 646440451 /nfs/dbraw/zinc/44/04/51/646440451.db2.gz ANQOMTNWSRVFBO-HNNXBMFYSA-N 1 2 284.363 2.064 20 30 CEEDLO Cc1[nH]c(CN(C)C[C@H](O)c2cccc(C#N)c2)[nH+]c1C ZINC000862400519 646440456 /nfs/dbraw/zinc/44/04/56/646440456.db2.gz ANQOMTNWSRVFBO-HNNXBMFYSA-N 1 2 284.363 2.064 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000862564345 646503080 /nfs/dbraw/zinc/50/30/80/646503080.db2.gz XPPSTEXKLPJZAL-OAHLLOKOSA-N 1 2 293.370 2.417 20 30 CEEDLO CN(C)c1c(C=[NH+]OC[C@@H]2CCOC2)ccc(F)c1F ZINC000863107362 646638154 /nfs/dbraw/zinc/63/81/54/646638154.db2.gz NISODBVSJBRESB-SNVBAGLBSA-N 1 2 284.306 2.418 20 30 CEEDLO COc1c(O)c(C[NH+]2CCC(C#N)CC2)ccc1[N+](=O)[O-] ZINC000774861969 646903853 /nfs/dbraw/zinc/90/38/53/646903853.db2.gz GMKFYNQBUGDUPD-UHFFFAOYSA-N 1 2 291.307 2.045 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000775341404 646942649 /nfs/dbraw/zinc/94/26/49/646942649.db2.gz MGRFWFWBWGXTHT-YPMHNXCESA-N 1 2 276.405 2.292 20 30 CEEDLO C=CC[NH+]1CCC(NC(=O)c2cccc(Cl)c2O)CC1 ZINC000775723525 646984712 /nfs/dbraw/zinc/98/47/12/646984712.db2.gz HMKGDZCIMOSCLW-UHFFFAOYSA-N 1 2 294.782 2.426 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)[C@@H]1CCCO1 ZINC000775788102 646992564 /nfs/dbraw/zinc/99/25/64/646992564.db2.gz CHFKVCOHRPZSMQ-YPMHNXCESA-N 1 2 274.295 2.237 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000775789484 646992658 /nfs/dbraw/zinc/99/26/58/646992658.db2.gz CXPDHDUEVQLOGU-HUUCEWRRSA-N 1 2 274.751 2.482 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000777543671 647147396 /nfs/dbraw/zinc/14/73/96/647147396.db2.gz GNETYWUNDXXRQS-OAHLLOKOSA-N 1 2 258.365 2.386 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000777543671 647147400 /nfs/dbraw/zinc/14/74/00/647147400.db2.gz GNETYWUNDXXRQS-OAHLLOKOSA-N 1 2 258.365 2.386 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000777960328 647192571 /nfs/dbraw/zinc/19/25/71/647192571.db2.gz DDFYBLJHMCROJK-MDZDMXLPSA-N 1 2 299.374 2.387 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000777960328 647192574 /nfs/dbraw/zinc/19/25/74/647192574.db2.gz DDFYBLJHMCROJK-MDZDMXLPSA-N 1 2 299.374 2.387 20 30 CEEDLO N#CCC1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1 ZINC000781572212 647538902 /nfs/dbraw/zinc/53/89/02/647538902.db2.gz OTVKOHNVHCJEFD-UHFFFAOYSA-N 1 2 291.420 2.372 20 30 CEEDLO CC(C)(C#N)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000781932995 647573594 /nfs/dbraw/zinc/57/35/94/647573594.db2.gz JFZVMRFDJCPUKQ-UHFFFAOYSA-N 1 2 297.362 2.221 20 30 CEEDLO CCn1ccnc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866365029 647757484 /nfs/dbraw/zinc/75/74/84/647757484.db2.gz UIZMJVKHNHBVQF-LLVKDONJSA-N 1 2 270.336 2.331 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](c2ccccn2)C(C)C)nn1 ZINC000866379036 647764927 /nfs/dbraw/zinc/76/49/27/647764927.db2.gz GNVIJAZLTANEHD-HNNXBMFYSA-N 1 2 271.368 2.346 20 30 CEEDLO Cc1cncc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866388861 647769790 /nfs/dbraw/zinc/76/97/90/647769790.db2.gz BELQVSRFMFHAJP-GFCCVEGCSA-N 1 2 282.347 2.256 20 30 CEEDLO C[C@@H]1CCN(C(=O)c2coc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000866581188 647831265 /nfs/dbraw/zinc/83/12/65/647831265.db2.gz CHQNECANLCDKHP-RISCZKNCSA-N 1 2 284.319 2.071 20 30 CEEDLO Cc1cccnc1N=NCc1cccc2[nH+]ccn21 ZINC000790192881 648391994 /nfs/dbraw/zinc/39/19/94/648391994.db2.gz IXRGOZCBVIXMGU-UHFFFAOYSA-N 1 2 251.293 2.484 20 30 CEEDLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1C#N ZINC000792292922 648636208 /nfs/dbraw/zinc/63/62/08/648636208.db2.gz BYBXHEXVBPBPIS-UHFFFAOYSA-N 1 2 267.288 2.201 20 30 CEEDLO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794645324 648897923 /nfs/dbraw/zinc/89/79/23/648897923.db2.gz LTTFWYILJPUQCG-NSHDSACASA-N 1 2 291.424 2.239 20 30 CEEDLO C[C@H]1CC2(CCC2)C[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794645324 648897925 /nfs/dbraw/zinc/89/79/25/648897925.db2.gz LTTFWYILJPUQCG-NSHDSACASA-N 1 2 291.424 2.239 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@](C)(O)CC2)c1=S ZINC000794674360 648901489 /nfs/dbraw/zinc/90/14/89/648901489.db2.gz ZVAVQLIXHBOYDV-CQSZACIVSA-N 1 2 296.440 2.103 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@](C)(O)CC2)c1=S ZINC000794674360 648901490 /nfs/dbraw/zinc/90/14/90/648901490.db2.gz ZVAVQLIXHBOYDV-CQSZACIVSA-N 1 2 296.440 2.103 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2coc(C3CC3)n2)cc1 ZINC000871725678 649158397 /nfs/dbraw/zinc/15/83/97/649158397.db2.gz IXIAPQMNBIYAEV-UHFFFAOYSA-N 1 2 287.319 2.398 20 30 CEEDLO CSc1nnc(SC)n1[NH+]=C1C[C@H](C)N(C2CC2)C1 ZINC000872417654 649385303 /nfs/dbraw/zinc/38/53/03/649385303.db2.gz ITLAOMOUPHUMGU-QMMMGPOBSA-N 1 2 297.453 2.183 20 30 CEEDLO C=CC(C)(C)CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000872979492 649522794 /nfs/dbraw/zinc/52/27/94/649522794.db2.gz YPWDPOJECNBYLW-ZDUSSCGKSA-N 1 2 290.411 2.490 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124757855 649732893 /nfs/dbraw/zinc/73/28/93/649732893.db2.gz GXLCMBYWHYEXSN-UHFFFAOYSA-N 1 2 296.440 2.224 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124757855 649732897 /nfs/dbraw/zinc/73/28/97/649732897.db2.gz GXLCMBYWHYEXSN-UHFFFAOYSA-N 1 2 296.440 2.224 20 30 CEEDLO COc1ccc(F)cc1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774610 651183504 /nfs/dbraw/zinc/18/35/04/651183504.db2.gz CDOHYPVMKWUJFK-STQMWFEESA-N 1 2 291.370 2.252 20 30 CEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000878970251 651220496 /nfs/dbraw/zinc/22/04/96/651220496.db2.gz LSXSVGSSALXONO-HNNXBMFYSA-N 1 2 274.364 2.292 20 30 CEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000878970251 651220497 /nfs/dbraw/zinc/22/04/97/651220497.db2.gz LSXSVGSSALXONO-HNNXBMFYSA-N 1 2 274.364 2.292 20 30 CEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000879297475 651278341 /nfs/dbraw/zinc/27/83/41/651278341.db2.gz NEKOEOQJYHKBPR-GFCCVEGCSA-N 1 2 261.369 2.338 20 30 CEEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879631046 651333657 /nfs/dbraw/zinc/33/36/57/651333657.db2.gz OWQLIHVZGRLKGH-MRXNPFEDSA-N 1 2 259.349 2.482 20 30 CEEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879631046 651333658 /nfs/dbraw/zinc/33/36/58/651333658.db2.gz OWQLIHVZGRLKGH-MRXNPFEDSA-N 1 2 259.349 2.482 20 30 CEEDLO C=C(Cl)C[N@@H+](CCO)Cc1ccc(OC)cc1 ZINC000880570169 651462354 /nfs/dbraw/zinc/46/23/54/651462354.db2.gz RBESMXDVRWVDTA-UHFFFAOYSA-N 1 2 255.745 2.242 20 30 CEEDLO C=C(Cl)C[N@H+](CCO)Cc1ccc(OC)cc1 ZINC000880570169 651462355 /nfs/dbraw/zinc/46/23/55/651462355.db2.gz RBESMXDVRWVDTA-UHFFFAOYSA-N 1 2 255.745 2.242 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882312066 652031514 /nfs/dbraw/zinc/03/15/14/652031514.db2.gz XWOUEVLKNIWUND-UHFFFAOYSA-N 1 2 280.331 2.350 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCc2nnc(C(C)C)o2)ccc1F ZINC000132072367 652493024 /nfs/dbraw/zinc/49/30/24/652493024.db2.gz VCIFYJYFNKWWLZ-UHFFFAOYSA-N 1 2 292.314 2.478 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)c(Cl)c1 ZINC000885669617 653037179 /nfs/dbraw/zinc/03/71/79/653037179.db2.gz JYQQDXXAGFRSIC-ZDUSSCGKSA-N 1 2 262.740 2.354 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000885669617 653037183 /nfs/dbraw/zinc/03/71/83/653037183.db2.gz JYQQDXXAGFRSIC-ZDUSSCGKSA-N 1 2 262.740 2.354 20 30 CEEDLO NC(CCO)=[NH+]OCc1csc(-c2ccc(F)cc2)n1 ZINC000136070603 653039529 /nfs/dbraw/zinc/03/95/29/653039529.db2.gz ZCXXNBSGZILVSE-UHFFFAOYSA-N 1 2 295.339 2.120 20 30 CEEDLO C=CC[NH+]1CCN(c2nc(Cl)ccc2OC)CC1 ZINC001165031358 721867956 /nfs/dbraw/zinc/86/79/56/721867956.db2.gz FQHUCMPKPUPQIN-UHFFFAOYSA-N 1 2 267.760 2.052 20 30 CEEDLO N#CC1CC[NH+](Cc2c(F)ccc(N)c2F)CC1 ZINC001204692189 806213771 /nfs/dbraw/zinc/21/37/71/806213771.db2.gz VMKPBUXEBCLUTE-UHFFFAOYSA-N 1 2 251.280 2.283 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC001088530074 806355326 /nfs/dbraw/zinc/35/53/26/806355326.db2.gz QNIRREONFGBRGE-OCCSQVGLSA-N 1 2 296.798 2.462 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC001088530074 806355336 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CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2[nH]ccc2s1 ZINC001038967472 810959944 /nfs/dbraw/zinc/95/99/44/810959944.db2.gz GHHHELNHNNMSSN-NSHDSACASA-N 1 2 287.388 2.057 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1Cl ZINC001038987244 810964611 /nfs/dbraw/zinc/96/46/11/810964611.db2.gz RVTCYSMHGQEVOQ-VIFPVBQESA-N 1 2 298.720 2.056 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1Cl ZINC001038987244 810964617 /nfs/dbraw/zinc/96/46/17/810964617.db2.gz RVTCYSMHGQEVOQ-VIFPVBQESA-N 1 2 298.720 2.056 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001085935826 810973125 /nfs/dbraw/zinc/97/31/25/810973125.db2.gz PEUQMSWTDNUITD-LLVKDONJSA-N 1 2 280.393 2.089 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001085935826 810973133 /nfs/dbraw/zinc/97/31/33/810973133.db2.gz PEUQMSWTDNUITD-LLVKDONJSA-N 1 2 280.393 2.089 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085937593 810974575 /nfs/dbraw/zinc/97/45/75/810974575.db2.gz JNDBKVFPYOIWSJ-CQSZACIVSA-N 1 2 276.767 2.120 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085937593 810974580 /nfs/dbraw/zinc/97/45/80/810974580.db2.gz JNDBKVFPYOIWSJ-CQSZACIVSA-N 1 2 276.767 2.120 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)c(C)s1 ZINC001085961804 810986408 /nfs/dbraw/zinc/98/64/08/810986408.db2.gz PDXUMKOPBUUVJR-AWEZNQCLSA-N 1 2 290.432 2.398 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)c(C)s1 ZINC001085961804 810986411 /nfs/dbraw/zinc/98/64/11/810986411.db2.gz PDXUMKOPBUUVJR-AWEZNQCLSA-N 1 2 290.432 2.398 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108234990 811013202 /nfs/dbraw/zinc/01/32/02/811013202.db2.gz QVQQIFDMCAJISH-INIZCTEOSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC(C)C)C1 ZINC001108234990 811013209 /nfs/dbraw/zinc/01/32/09/811013209.db2.gz QVQQIFDMCAJISH-INIZCTEOSA-N 1 2 282.428 2.206 20 30 CEEDLO N#CCc1ccc[nH+]c1NCCn1nnc2ccccc21 ZINC001168925561 811290492 /nfs/dbraw/zinc/29/04/92/811290492.db2.gz NZKANSPSGZANCH-UHFFFAOYSA-N 1 2 278.319 2.004 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(C)c2F)C1 ZINC001042759054 811325670 /nfs/dbraw/zinc/32/56/70/811325670.db2.gz ITUZCWFBSYXXMU-UHFFFAOYSA-N 1 2 276.355 2.466 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001042765657 811328419 /nfs/dbraw/zinc/32/84/19/811328419.db2.gz DKVFOLDJEZDLFV-QWHCGFSZSA-N 1 2 250.386 2.141 20 30 CEEDLO COc1cnc(NCCc2cn3ccccc3[nH+]2)c(C#N)c1 ZINC001169001083 811328575 /nfs/dbraw/zinc/32/85/75/811328575.db2.gz XQQLTXCTKRJOKE-UHFFFAOYSA-N 1 2 293.330 2.264 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001043270589 811362983 /nfs/dbraw/zinc/36/29/83/811362983.db2.gz OIUZWTIUEFYZFS-UHFFFAOYSA-N 1 2 283.375 2.419 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C)CCCC2)C1 ZINC001043496113 811378971 /nfs/dbraw/zinc/37/89/71/811378971.db2.gz RUCPDSGUAMPRQM-UHFFFAOYSA-N 1 2 250.386 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001043705062 811399334 /nfs/dbraw/zinc/39/93/34/811399334.db2.gz SRBXZFLEXFOCON-MRXNPFEDSA-N 1 2 270.376 2.045 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H](C)CCOCC(C)C)C(=O)OC ZINC001172460275 815446757 /nfs/dbraw/zinc/44/67/57/815446757.db2.gz QFUGAJCRBVDIBL-QWHCGFSZSA-N 1 2 257.374 2.145 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(F)F)cc2)C1 ZINC001044055175 811433030 /nfs/dbraw/zinc/43/30/30/811433030.db2.gz XVJBBYMIMGXXAQ-UHFFFAOYSA-N 1 2 292.329 2.404 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](CCC)C2)C1 ZINC001044104318 811438502 /nfs/dbraw/zinc/43/85/02/811438502.db2.gz OIHWAPURGZJRPI-ZBFHGGJFSA-N 1 2 294.439 2.300 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001044338749 811472462 /nfs/dbraw/zinc/47/24/62/811472462.db2.gz WRZILSUIJHZDHZ-UHFFFAOYSA-N 1 2 296.414 2.193 20 30 CEEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172499754 815455554 /nfs/dbraw/zinc/45/55/54/815455554.db2.gz ZZNMLWOGKXCWMY-NWDGAFQWSA-N 1 2 270.398 2.049 20 30 CEEDLO CCOC(=O)[C@H]1CSCC[N@H+]1[C@@H](C)CCCC#N ZINC001172499754 815455556 /nfs/dbraw/zinc/45/55/56/815455556.db2.gz ZZNMLWOGKXCWMY-NWDGAFQWSA-N 1 2 270.398 2.049 20 30 CEEDLO Cc1c(Cl)ccc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc12 ZINC001156327927 811547583 /nfs/dbraw/zinc/54/75/83/811547583.db2.gz SMEJIYBTWBKOMT-LBPRGKRZSA-N 1 2 286.766 2.498 20 30 CEEDLO C#C[C@](C)(CC)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC001169692619 811624405 /nfs/dbraw/zinc/62/44/05/811624405.db2.gz PWGDIWVPTVANSM-OAHLLOKOSA-N 1 2 259.353 2.132 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096470968 812070162 /nfs/dbraw/zinc/07/01/62/812070162.db2.gz FDXZOJWDGXJQCY-JSGCOSHPSA-N 1 2 288.395 2.082 20 30 CEEDLO CCN(CCn1cc[nH+]c1)c1ncc(Cl)cc1C#N ZINC001157462139 812163555 /nfs/dbraw/zinc/16/35/55/812163555.db2.gz AELDDXMSCFBTPP-UHFFFAOYSA-N 1 2 275.743 2.330 20 30 CEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113229384 812189012 /nfs/dbraw/zinc/18/90/12/812189012.db2.gz IQSFHHZYUGQFRB-LSDHHAIUSA-N 1 2 294.439 2.015 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113281957 812205952 /nfs/dbraw/zinc/20/59/52/812205952.db2.gz CCADEWWVFYUOTL-UHFFFAOYSA-N 1 2 282.428 2.160 20 30 CEEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001113286587 812208445 /nfs/dbraw/zinc/20/84/45/812208445.db2.gz MYNAFUVHXMAFFW-NEPJUHHUSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001113307696 812212806 /nfs/dbraw/zinc/21/28/06/812212806.db2.gz MOCAGFPJWJBNLS-RDJZCZTQSA-N 1 2 294.439 2.160 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096784257 812275823 /nfs/dbraw/zinc/27/58/23/812275823.db2.gz YOQDCSUKWBFMEQ-CYBMUJFWSA-N 1 2 288.395 2.304 20 30 CEEDLO C#CCCCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097171137 812339030 /nfs/dbraw/zinc/33/90/30/812339030.db2.gz ORQYDVYYYHJDCW-OKILXGFUSA-N 1 2 286.379 2.038 20 30 CEEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172789714 815523326 /nfs/dbraw/zinc/52/33/26/815523326.db2.gz GDIRBIVPWDRVNR-YRGRVCCFSA-N 1 2 252.358 2.390 20 30 CEEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC001254635214 812494319 /nfs/dbraw/zinc/49/43/19/812494319.db2.gz OMGWEBJWEIWIKS-MRVWCRGKSA-N 1 2 264.369 2.390 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)COC2)C1 ZINC001254643877 812519520 /nfs/dbraw/zinc/51/95/20/812519520.db2.gz RYWPZZCRSAPQMW-SMDDNHRTSA-N 1 2 260.312 2.333 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018180 812775828 /nfs/dbraw/zinc/77/58/28/812775828.db2.gz VKUIMMXALOTACE-ZIAGYGMSSA-N 1 2 282.815 2.367 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132018180 812775834 /nfs/dbraw/zinc/77/58/34/812775834.db2.gz VKUIMMXALOTACE-ZIAGYGMSSA-N 1 2 282.815 2.367 20 30 CEEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001255177987 813024759 /nfs/dbraw/zinc/02/47/59/813024759.db2.gz ZRCKDPVSQLNFLA-KGLIPLIRSA-N 1 2 274.368 2.321 20 30 CEEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001255177987 813024765 /nfs/dbraw/zinc/02/47/65/813024765.db2.gz ZRCKDPVSQLNFLA-KGLIPLIRSA-N 1 2 274.368 2.321 20 30 CEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)CCC1 ZINC001133392175 813046923 /nfs/dbraw/zinc/04/69/23/813046923.db2.gz KUNPRPCADGNMOU-UHFFFAOYSA-N 1 2 291.395 2.244 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccn2)CC[C@H]1C ZINC001071299114 813353426 /nfs/dbraw/zinc/35/34/26/813353426.db2.gz GFHPZMKIKQXXMM-CHWSQXEVSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccn2)CC[C@H]1C ZINC001071299114 813353427 /nfs/dbraw/zinc/35/34/27/813353427.db2.gz GFHPZMKIKQXXMM-CHWSQXEVSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)CC[C@@H]1C ZINC001071490325 813421738 /nfs/dbraw/zinc/42/17/38/813421738.db2.gz KNIYRPNHNDISPW-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)CC[C@@H]1C ZINC001071490325 813421742 /nfs/dbraw/zinc/42/17/42/813421742.db2.gz KNIYRPNHNDISPW-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2cccc3nc[nH]c32)CC[C@H]1C ZINC001071924187 813513720 /nfs/dbraw/zinc/51/37/20/813513720.db2.gz SYYOCMWUQKPIOK-CHWSQXEVSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc3nc[nH]c32)CC[C@H]1C ZINC001071924187 813513725 /nfs/dbraw/zinc/51/37/25/813513725.db2.gz SYYOCMWUQKPIOK-CHWSQXEVSA-N 1 2 298.390 2.332 20 30 CEEDLO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170909032 813634036 /nfs/dbraw/zinc/63/40/36/813634036.db2.gz RZQDZEFUDVMURE-MNOVXSKESA-N 1 2 296.308 2.175 20 30 CEEDLO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170909032 813634040 /nfs/dbraw/zinc/63/40/40/813634040.db2.gz RZQDZEFUDVMURE-MNOVXSKESA-N 1 2 296.308 2.175 20 30 CEEDLO C=C[C@@H]1C[C@]1(Nc1ccn2cc[nH+]c2c1)C(=O)OCC ZINC001170916244 813638285 /nfs/dbraw/zinc/63/82/85/813638285.db2.gz GPGWEESSZZYEIV-IAQYHMDHSA-N 1 2 271.320 2.254 20 30 CEEDLO C=C[C@H]1C[C@]1(Nc1c[nH+]c(N(C)C)cc1C)C(=O)OCC ZINC001170917729 813641260 /nfs/dbraw/zinc/64/12/60/813641260.db2.gz LSESRQWOHKPOIX-BLLLJJGKSA-N 1 2 289.379 2.376 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001074299680 813823692 /nfs/dbraw/zinc/82/36/92/813823692.db2.gz JBQPXDHOYFNKCC-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001074299680 813823699 /nfs/dbraw/zinc/82/36/99/813823699.db2.gz JBQPXDHOYFNKCC-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO Cc1cc(NC(=O)CSCC#N)ccc1-n1cc[nH+]c1 ZINC001143940385 813904344 /nfs/dbraw/zinc/90/43/44/813904344.db2.gz YGFNPAGEJFPPGP-UHFFFAOYSA-N 1 2 286.360 2.376 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCc3c(ncnc3OC)C2)cc1 ZINC001144573456 814119888 /nfs/dbraw/zinc/11/98/88/814119888.db2.gz KWCGRRVIFVXMRS-UHFFFAOYSA-N 1 2 279.343 2.025 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCc3c(ncnc3OC)C2)cc1 ZINC001144573456 814119895 /nfs/dbraw/zinc/11/98/95/814119895.db2.gz KWCGRRVIFVXMRS-UHFFFAOYSA-N 1 2 279.343 2.025 20 30 CEEDLO COc1ccc(C[N@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1 ZINC000758182826 814228122 /nfs/dbraw/zinc/22/81/22/814228122.db2.gz UGXRGCXYEAWNAZ-UHFFFAOYSA-N 1 2 297.358 2.127 20 30 CEEDLO COc1ccc(C[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1 ZINC000758182826 814228128 /nfs/dbraw/zinc/22/81/28/814228128.db2.gz UGXRGCXYEAWNAZ-UHFFFAOYSA-N 1 2 297.358 2.127 20 30 CEEDLO C=C(C)CCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103206753 814475467 /nfs/dbraw/zinc/47/54/67/814475467.db2.gz XFXOMMBFKCUQLB-CYBMUJFWSA-N 1 2 276.384 2.448 20 30 CEEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc2cc(F)ccc2c[nH+]1 ZINC001171363160 814663746 /nfs/dbraw/zinc/66/37/46/814663746.db2.gz AVSSBVFXNUXAIZ-SDBXPKJASA-N 1 2 275.283 2.022 20 30 CEEDLO C=CCCC(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001124650683 815625481 /nfs/dbraw/zinc/62/54/81/815625481.db2.gz JLELMEDULCZRTA-UHFFFAOYSA-N 1 2 279.384 2.144 20 30 CEEDLO COC(=O)[C@H](COC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586229 815752667 /nfs/dbraw/zinc/75/26/67/815752667.db2.gz LUVOTUANHJBUSW-UYJPIKCFSA-N 1 2 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CCCCCNC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449481 362096685 /nfs/dbraw/zinc/09/66/85/362096685.db2.gz ZNMNWZIRUXOLHV-STQMWFEESA-N 1 2 253.390 2.163 20 30 CEEDLO C[N@@H+](Cc1cscn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000042865323 362125481 /nfs/dbraw/zinc/12/54/81/362125481.db2.gz LDIADNARQXDOGT-AWEZNQCLSA-N 1 2 273.361 2.180 20 30 CEEDLO C[N@H+](Cc1cscn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000042865323 362125487 /nfs/dbraw/zinc/12/54/87/362125487.db2.gz LDIADNARQXDOGT-AWEZNQCLSA-N 1 2 273.361 2.180 20 30 CEEDLO C[C@H](CC#N)n1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601936356 346932174 /nfs/dbraw/zinc/93/21/74/346932174.db2.gz RKDPYBOGVODGHQ-UKRRQHHQSA-N 1 2 296.374 2.009 20 30 CEEDLO C[C@H](CC#N)n1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601936356 346932177 /nfs/dbraw/zinc/93/21/77/346932177.db2.gz RKDPYBOGVODGHQ-UKRRQHHQSA-N 1 2 296.374 2.009 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1C#N ZINC000351151866 219081580 /nfs/dbraw/zinc/08/15/80/219081580.db2.gz 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/nfs/dbraw/zinc/39/93/05/343399305.db2.gz RDYYQJHCGICSGR-CYBMUJFWSA-N 1 2 288.326 2.134 20 30 CEEDLO Cc1cc(C#N)nc(NCCCc2[nH+]cccc2C)n1 ZINC000294996734 199292002 /nfs/dbraw/zinc/29/20/02/199292002.db2.gz NTDPNNNCBONWPF-UHFFFAOYSA-N 1 2 267.336 2.405 20 30 CEEDLO C=CCN(CC=C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046286780 343497457 /nfs/dbraw/zinc/49/74/57/343497457.db2.gz GOIQAKSTKXCXHI-UHFFFAOYSA-N 1 2 274.368 2.031 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000043663362 343466135 /nfs/dbraw/zinc/46/61/35/343466135.db2.gz QJOFKLDDQSMZNR-UHFFFAOYSA-N 1 2 296.317 2.232 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000052441385 343560980 /nfs/dbraw/zinc/56/09/80/343560980.db2.gz VZXGINZIESTUMN-JTQLQIEISA-N 1 2 291.189 2.106 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000052441385 343560981 /nfs/dbraw/zinc/56/09/81/343560981.db2.gz VZXGINZIESTUMN-JTQLQIEISA-N 1 2 291.189 2.106 20 30 CEEDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)[nH]1 ZINC000354926197 529740489 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/nfs/dbraw/zinc/23/48/79/232234879.db2.gz YMGHRUFRXNNGDK-CHWSQXEVSA-N 1 2 269.348 2.420 20 30 CEEDLO C[C@H]1OCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000155999591 232234881 /nfs/dbraw/zinc/23/48/81/232234881.db2.gz YMGHRUFRXNNGDK-CHWSQXEVSA-N 1 2 269.348 2.420 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC000595461691 345788983 /nfs/dbraw/zinc/78/89/83/345788983.db2.gz PBILGLSBTMJRGN-LLVKDONJSA-N 1 2 283.335 2.184 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC000595461691 345788985 /nfs/dbraw/zinc/78/89/85/345788985.db2.gz PBILGLSBTMJRGN-LLVKDONJSA-N 1 2 283.335 2.184 20 30 CEEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(c2ncns2)CC1 ZINC000595516237 345802012 /nfs/dbraw/zinc/80/20/12/345802012.db2.gz QTHPMTAPIQTQJT-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595680459 345847149 /nfs/dbraw/zinc/84/71/49/345847149.db2.gz HLLIFTPZFHMRSB-CYBMUJFWSA-N 1 2 299.374 2.140 20 30 CEEDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595680459 345847151 /nfs/dbraw/zinc/84/71/51/345847151.db2.gz HLLIFTPZFHMRSB-CYBMUJFWSA-N 1 2 299.374 2.140 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000595623108 345831280 /nfs/dbraw/zinc/83/12/80/345831280.db2.gz HQSOUBJJUARSKH-CYBMUJFWSA-N 1 2 273.384 2.130 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000595623108 345831282 /nfs/dbraw/zinc/83/12/82/345831282.db2.gz HQSOUBJJUARSKH-CYBMUJFWSA-N 1 2 273.384 2.130 20 30 CEEDLO CC(C)([NH2+]Cc1ncnn1CCF)c1cccc(C#N)c1 ZINC000595633735 345833335 /nfs/dbraw/zinc/83/33/35/345833335.db2.gz XSVUJKFFKSVCJL-UHFFFAOYSA-N 1 2 287.342 2.144 20 30 CEEDLO C=CCCSCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000595641740 345835729 /nfs/dbraw/zinc/83/57/29/345835729.db2.gz CXCDVOMWNOGUDT-NEPJUHHUSA-N 1 2 294.424 2.497 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000595836354 345892409 /nfs/dbraw/zinc/89/24/09/345892409.db2.gz YMEPTFYAPWYIPQ-UKRRQHHQSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000595836354 345892410 /nfs/dbraw/zinc/89/24/10/345892410.db2.gz YMEPTFYAPWYIPQ-UKRRQHHQSA-N 1 2 265.401 2.256 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000595844308 345897425 /nfs/dbraw/zinc/89/74/25/345897425.db2.gz GRMYTJORXCSXBS-GFCCVEGCSA-N 1 2 297.362 2.194 20 30 CEEDLO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838125 345893600 /nfs/dbraw/zinc/89/36/00/345893600.db2.gz RDXWJDRJPBXPPZ-MRXNPFEDSA-N 1 2 277.412 2.261 20 30 CEEDLO CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838125 345893603 /nfs/dbraw/zinc/89/36/03/345893603.db2.gz RDXWJDRJPBXPPZ-MRXNPFEDSA-N 1 2 277.412 2.261 20 30 CEEDLO COc1nc(C)cc(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840711 345895372 /nfs/dbraw/zinc/89/53/72/345895372.db2.gz DATLCTLHVVQTHN-OAHLLOKOSA-N 1 2 259.353 2.443 20 30 CEEDLO COc1nc(C)cc(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840711 345895375 /nfs/dbraw/zinc/89/53/75/345895375.db2.gz DATLCTLHVVQTHN-OAHLLOKOSA-N 1 2 259.353 2.443 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2nccnc2C1 ZINC000595863755 345900948 /nfs/dbraw/zinc/90/09/48/345900948.db2.gz PFCMLNYYFCOJFF-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2nccnc2C1 ZINC000595863755 345900950 /nfs/dbraw/zinc/90/09/50/345900950.db2.gz PFCMLNYYFCOJFF-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO Cn1ncc(C#N)c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000596076092 345934289 /nfs/dbraw/zinc/93/42/89/345934289.db2.gz CQJUSEKNVMDPSN-UHFFFAOYSA-N 1 2 296.378 2.289 20 30 CEEDLO Cn1ncc(C#N)c1NCCCc1[nH+]c2ccccc2n1C ZINC000596146563 345951677 /nfs/dbraw/zinc/95/16/77/345951677.db2.gz DALGHXKTTDOCFR-UHFFFAOYSA-N 1 2 294.362 2.223 20 30 CEEDLO Cc1nc(NCC2(CC#N)CC2)c(Br)c(C)[nH+]1 ZINC000596216800 345972286 /nfs/dbraw/zinc/97/22/86/345972286.db2.gz SJNZRIGUDACXJO-UHFFFAOYSA-N 1 2 295.184 2.384 20 30 CEEDLO C[C@H](CC#N)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000596632738 346068836 /nfs/dbraw/zinc/06/88/36/346068836.db2.gz ZELYRUQIFPTWMR-CDVVCGDMSA-N 1 2 297.402 2.394 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597177630 346142350 /nfs/dbraw/zinc/14/23/50/346142350.db2.gz QTGDUHQQOXVLGF-GFCCVEGCSA-N 1 2 259.357 2.129 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000597177630 346142352 /nfs/dbraw/zinc/14/23/52/346142352.db2.gz QTGDUHQQOXVLGF-GFCCVEGCSA-N 1 2 259.357 2.129 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000597084811 346126894 /nfs/dbraw/zinc/12/68/94/346126894.db2.gz QGIMUALZWWLAQR-UHFFFAOYSA-N 1 2 259.357 2.129 20 30 CEEDLO C[C@@H](C[NH+]1CC(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000597203712 346147943 /nfs/dbraw/zinc/14/79/43/346147943.db2.gz MPRUQGAFWJVNBO-LBPRGKRZSA-N 1 2 292.404 2.039 20 30 CEEDLO Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231377 346155962 /nfs/dbraw/zinc/15/59/62/346155962.db2.gz MDUKAGICMMBHFO-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231377 346155964 /nfs/dbraw/zinc/15/59/64/346155964.db2.gz MDUKAGICMMBHFO-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO Cc1cc(C)c(CNC(=O)CC2(C#N)CCOCC2)c[nH+]1 ZINC000597750465 346226016 /nfs/dbraw/zinc/22/60/16/346226016.db2.gz GLXMDDYFUZKPLU-UHFFFAOYSA-N 1 2 287.363 2.025 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1(C#N)CCCCC1 ZINC000597863216 346241106 /nfs/dbraw/zinc/24/11/06/346241106.db2.gz LBMBPAWSUUKGCB-UHFFFAOYSA-N 1 2 260.341 2.232 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1(C#N)CCCCC1 ZINC000597863216 346241108 /nfs/dbraw/zinc/24/11/08/346241108.db2.gz LBMBPAWSUUKGCB-UHFFFAOYSA-N 1 2 260.341 2.232 20 30 CEEDLO Cc1cc(C[N@H+](C)CCOc2ccccc2C#N)no1 ZINC000060468102 362663852 /nfs/dbraw/zinc/66/38/52/362663852.db2.gz GFIDPBITBARESL-UHFFFAOYSA-N 1 2 271.320 2.366 20 30 CEEDLO Cc1cc(C[N@@H+](C)CCOc2ccccc2C#N)no1 ZINC000060468102 362663859 /nfs/dbraw/zinc/66/38/59/362663859.db2.gz GFIDPBITBARESL-UHFFFAOYSA-N 1 2 271.320 2.366 20 30 CEEDLO Cc1cccn2c(NC(=O)CC3(C#N)CC3)c[nH+]c12 ZINC000598263434 346315883 /nfs/dbraw/zinc/31/58/83/346315883.db2.gz SSZGLEWPHTWDFJ-UHFFFAOYSA-N 1 2 254.293 2.275 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000598591694 346379400 /nfs/dbraw/zinc/37/94/00/346379400.db2.gz AAJGUMVGEFUYTN-KGLIPLIRSA-N 1 2 294.420 2.422 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000598591694 346379403 /nfs/dbraw/zinc/37/94/03/346379403.db2.gz AAJGUMVGEFUYTN-KGLIPLIRSA-N 1 2 294.420 2.422 20 30 CEEDLO CC(C)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000598601639 346381755 /nfs/dbraw/zinc/38/17/55/346381755.db2.gz LFXCOTSSKIHDGS-CHWSQXEVSA-N 1 2 298.427 2.243 20 30 CEEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H](C)CC#N)c1 ZINC000598839913 346426300 /nfs/dbraw/zinc/42/63/00/346426300.db2.gz AJCHCSCWTPULTL-LBPRGKRZSA-N 1 2 283.335 2.196 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1C#N ZINC000599388471 346512394 /nfs/dbraw/zinc/51/23/94/346512394.db2.gz IEDBEIYFOJUXGG-YJYMSZOUSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1C#N ZINC000599388471 346512395 /nfs/dbraw/zinc/51/23/95/346512395.db2.gz IEDBEIYFOJUXGG-YJYMSZOUSA-N 1 2 276.405 2.210 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000599475610 346525855 /nfs/dbraw/zinc/52/58/55/346525855.db2.gz UORXHLSYMZMLEI-GDBMZVCRSA-N 1 2 275.396 2.156 20 30 CEEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000599475610 346525860 /nfs/dbraw/zinc/52/58/60/346525860.db2.gz UORXHLSYMZMLEI-GDBMZVCRSA-N 1 2 275.396 2.156 20 30 CEEDLO C=CCOCC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623291355 349975126 /nfs/dbraw/zinc/97/51/26/349975126.db2.gz IHFLBHRZOJLQDE-GFCCVEGCSA-N 1 2 260.337 2.032 20 30 CEEDLO C=CCOCC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623291355 349975129 /nfs/dbraw/zinc/97/51/29/349975129.db2.gz IHFLBHRZOJLQDE-GFCCVEGCSA-N 1 2 260.337 2.032 20 30 CEEDLO N#CCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599544079 346534903 /nfs/dbraw/zinc/53/49/03/346534903.db2.gz IHVYWZOHNYZIBS-ZYHUDNBSSA-N 1 2 270.254 2.424 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(CCOC)s1 ZINC000602611860 347101569 /nfs/dbraw/zinc/10/15/69/347101569.db2.gz LYWOATFUOVOFCX-SNVBAGLBSA-N 1 2 253.371 2.114 20 30 CEEDLO Cc1cccc(N2CCC(NC(=O)C(C)(C)C#N)CC2)[nH+]1 ZINC000116666777 136544658 /nfs/dbraw/zinc/54/46/58/136544658.db2.gz XRNCQDPKFCAAKJ-UHFFFAOYSA-N 1 2 286.379 2.025 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/CCCO[C@H]2CCOC2)c1 ZINC000129353446 365848843 /nfs/dbraw/zinc/84/88/43/365848843.db2.gz CCNXJGGULSFSMG-KNGSKEOJSA-N 1 2 279.336 2.015 20 30 CEEDLO N#Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1 ZINC000600775779 346687667 /nfs/dbraw/zinc/68/76/67/346687667.db2.gz MIZPWNXYSABPGT-UHFFFAOYSA-N 1 2 267.332 2.227 20 30 CEEDLO N#Cc1cc(-c2ccc(NCCCCO)[nH+]c2)ccc1F ZINC000600783149 346689115 /nfs/dbraw/zinc/68/91/15/346689115.db2.gz XGNDDOJDPPJLTD-UHFFFAOYSA-N 1 2 285.322 2.366 20 30 CEEDLO CC(C)(CNc1ccc(Cl)c(C#N)n1)n1cc[nH+]c1 ZINC000601197788 346784643 /nfs/dbraw/zinc/78/46/43/346784643.db2.gz FXMZHCXNWYSHHH-UHFFFAOYSA-N 1 2 275.743 2.072 20 30 CEEDLO C[C@H](CNC(=O)c1ccccc1CC#N)Cn1cc[nH+]c1 ZINC000601210617 346789836 /nfs/dbraw/zinc/78/98/36/346789836.db2.gz RQBTZCWLNDJMQQ-CYBMUJFWSA-N 1 2 282.347 2.015 20 30 CEEDLO C=CC[N@@H+](CCN(C#N)CC)Cc1cccc(C#N)c1 ZINC000602767675 347189810 /nfs/dbraw/zinc/18/98/10/347189810.db2.gz FNRUZEUMNFEKDI-UHFFFAOYSA-N 1 2 268.364 2.349 20 30 CEEDLO C=CC[N@H+](CCN(C#N)CC)Cc1cccc(C#N)c1 ZINC000602767675 347189814 /nfs/dbraw/zinc/18/98/14/347189814.db2.gz FNRUZEUMNFEKDI-UHFFFAOYSA-N 1 2 268.364 2.349 20 30 CEEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C(F)(F)F)O1 ZINC000602781369 347195342 /nfs/dbraw/zinc/19/53/42/347195342.db2.gz KPVYERVMKXTMKG-NXEZZACHSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](C(F)(F)F)O1 ZINC000602781369 347195344 /nfs/dbraw/zinc/19/53/44/347195344.db2.gz KPVYERVMKXTMKG-NXEZZACHSA-N 1 2 262.275 2.332 20 30 CEEDLO CCC1(CC)C[N@H+](CC2(CC#N)CC2)CC[S@]1=O ZINC000602812253 347209956 /nfs/dbraw/zinc/20/99/56/347209956.db2.gz OWAFLCMZDQNHOQ-GOSISDBHSA-N 1 2 268.426 2.303 20 30 CEEDLO CCC1(CC)C[N@@H+](CC2(CC#N)CC2)CC[S@]1=O ZINC000602812253 347209959 /nfs/dbraw/zinc/20/99/59/347209959.db2.gz OWAFLCMZDQNHOQ-GOSISDBHSA-N 1 2 268.426 2.303 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602826024 347214575 /nfs/dbraw/zinc/21/45/75/347214575.db2.gz IOHUNPGLPWVQKT-ZDUSSCGKSA-N 1 2 269.385 2.241 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602826024 347214578 /nfs/dbraw/zinc/21/45/78/347214578.db2.gz IOHUNPGLPWVQKT-ZDUSSCGKSA-N 1 2 269.385 2.241 20 30 CEEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CC1(CC#N)CC1 ZINC000602844673 347221842 /nfs/dbraw/zinc/22/18/42/347221842.db2.gz FXVPFBBMCNSVKB-MRXNPFEDSA-N 1 2 297.402 2.243 20 30 CEEDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CC1(CC#N)CC1 ZINC000602844673 347221847 /nfs/dbraw/zinc/22/18/47/347221847.db2.gz FXVPFBBMCNSVKB-MRXNPFEDSA-N 1 2 297.402 2.243 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000602849957 347224314 /nfs/dbraw/zinc/22/43/14/347224314.db2.gz SDXLJGMDEBOWCJ-IJLUTSLNSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000602849957 347224315 /nfs/dbraw/zinc/22/43/15/347224315.db2.gz SDXLJGMDEBOWCJ-IJLUTSLNSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)N1CC#N ZINC000602854749 347226296 /nfs/dbraw/zinc/22/62/96/347226296.db2.gz RERNRAVTQKPAGG-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)N1CC#N ZINC000602854749 347226297 /nfs/dbraw/zinc/22/62/97/347226297.db2.gz RERNRAVTQKPAGG-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@@H](C)N1CC#N ZINC000602854712 347226426 /nfs/dbraw/zinc/22/64/26/347226426.db2.gz QLDQFDAPXGUSQV-CHWSQXEVSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H](C)N1CC#N ZINC000602858239 347227175 /nfs/dbraw/zinc/22/71/75/347227175.db2.gz QKXZWDZAJCOAFK-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H](C)N1CC#N ZINC000602858239 347227177 /nfs/dbraw/zinc/22/71/77/347227177.db2.gz QKXZWDZAJCOAFK-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602860711 347228241 /nfs/dbraw/zinc/22/82/41/347228241.db2.gz FMSDWKGAOBSQBD-NWDGAFQWSA-N 1 2 275.352 2.304 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000602867502 347231141 /nfs/dbraw/zinc/23/11/41/347231141.db2.gz CWSIVFHFQWAKOC-BLLLJJGKSA-N 1 2 271.364 2.146 20 30 CEEDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1Cl ZINC000602868600 347231188 /nfs/dbraw/zinc/23/11/88/347231188.db2.gz JUCHCNOHDALHQP-VIFPVBQESA-N 1 2 281.743 2.179 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602870828 347232817 /nfs/dbraw/zinc/23/28/17/347232817.db2.gz XPAXMGXMRKDYGX-UWVGGRQHSA-N 1 2 290.754 2.430 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)oc1C ZINC000602973518 347260373 /nfs/dbraw/zinc/26/03/73/347260373.db2.gz BGRIKVJRKGNKTO-RISCZKNCSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)oc1C ZINC000602973518 347260377 /nfs/dbraw/zinc/26/03/77/347260377.db2.gz BGRIKVJRKGNKTO-RISCZKNCSA-N 1 2 276.336 2.499 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974075 347260595 /nfs/dbraw/zinc/26/05/95/347260595.db2.gz JSYMZTVTEINKLE-BARDWOONSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974075 347260596 /nfs/dbraw/zinc/26/05/96/347260596.db2.gz JSYMZTVTEINKLE-BARDWOONSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976520 347261973 /nfs/dbraw/zinc/26/19/73/347261973.db2.gz QQXCTQOXFKWFLQ-MCIONIFRSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976520 347261974 /nfs/dbraw/zinc/26/19/74/347261974.db2.gz QQXCTQOXFKWFLQ-MCIONIFRSA-N 1 2 263.385 2.011 20 30 CEEDLO C[N@H+](CC(=O)NC1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602976945 347262283 /nfs/dbraw/zinc/26/22/83/347262283.db2.gz VOQLKFDMDUNTNP-JSGCOSHPSA-N 1 2 263.385 2.059 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602976945 347262285 /nfs/dbraw/zinc/26/22/85/347262285.db2.gz VOQLKFDMDUNTNP-JSGCOSHPSA-N 1 2 263.385 2.059 20 30 CEEDLO C[N@H+](CC(=O)NCCC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602978493 347263188 /nfs/dbraw/zinc/26/31/88/347263188.db2.gz RRDNBCRUKCNVLT-STQMWFEESA-N 1 2 265.401 2.163 20 30 CEEDLO C[N@@H+](CC(=O)NCCC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602978493 347263190 /nfs/dbraw/zinc/26/31/90/347263190.db2.gz RRDNBCRUKCNVLT-STQMWFEESA-N 1 2 265.401 2.163 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602978427 347263316 /nfs/dbraw/zinc/26/33/16/347263316.db2.gz QRDJKONVXFKQNW-CABCVRRESA-N 1 2 271.364 2.170 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602978427 347263319 /nfs/dbraw/zinc/26/33/19/347263319.db2.gz QRDJKONVXFKQNW-CABCVRRESA-N 1 2 271.364 2.170 20 30 CEEDLO Cn1cc(-c2cc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)on2)cn1 ZINC000602979259 347263941 /nfs/dbraw/zinc/26/39/41/347263941.db2.gz BKXSZGBZPQXQPO-NHYWBVRUSA-N 1 2 285.351 2.199 20 30 CEEDLO Cn1cc(-c2cc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)on2)cn1 ZINC000602979259 347263945 /nfs/dbraw/zinc/26/39/45/347263945.db2.gz BKXSZGBZPQXQPO-NHYWBVRUSA-N 1 2 285.351 2.199 20 30 CEEDLO C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CCC[C@@H]1C#N ZINC000602981450 347264720 /nfs/dbraw/zinc/26/47/20/347264720.db2.gz DIZHZGFTDFXELD-DGCLKSJQSA-N 1 2 272.352 2.184 20 30 CEEDLO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CCC[C@@H]1C#N ZINC000602981450 347264721 /nfs/dbraw/zinc/26/47/21/347264721.db2.gz DIZHZGFTDFXELD-DGCLKSJQSA-N 1 2 272.352 2.184 20 30 CEEDLO CC1(F)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000602992916 347269214 /nfs/dbraw/zinc/26/92/14/347269214.db2.gz JNRBRUMEVSJWSL-UHFFFAOYSA-N 1 2 281.356 2.382 20 30 CEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000603018564 347273708 /nfs/dbraw/zinc/27/37/08/347273708.db2.gz JYRUYOWRHWPILC-AWEZNQCLSA-N 1 2 295.333 2.188 20 30 CEEDLO N#CCc1cccc2c1CCN(c1cc(CO)cc[nH+]1)C2 ZINC000603414871 347364148 /nfs/dbraw/zinc/36/41/48/347364148.db2.gz AFEGZGNXIWSZNO-UHFFFAOYSA-N 1 2 279.343 2.203 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccsc1 ZINC000603629261 347381816 /nfs/dbraw/zinc/38/18/16/347381816.db2.gz LKLATDUBZZOLEI-UHFFFAOYSA-N 1 2 299.399 2.368 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccsc1 ZINC000603629261 347381823 /nfs/dbraw/zinc/38/18/23/347381823.db2.gz LKLATDUBZZOLEI-UHFFFAOYSA-N 1 2 299.399 2.368 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000604528701 347420197 /nfs/dbraw/zinc/42/01/97/347420197.db2.gz MGGGBLVYXPSIBR-UHFFFAOYSA-N 1 2 282.347 2.194 20 30 CEEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC000610016117 347658424 /nfs/dbraw/zinc/65/84/24/347658424.db2.gz NWVBBTBUKZNDDT-GFCCVEGCSA-N 1 2 291.420 2.114 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccn1 ZINC000610993565 347728815 /nfs/dbraw/zinc/72/88/15/347728815.db2.gz XNSZDLWATIQULC-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccn1 ZINC000610993565 347728816 /nfs/dbraw/zinc/72/88/16/347728816.db2.gz XNSZDLWATIQULC-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO N#CCCN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000611174884 347747594 /nfs/dbraw/zinc/74/75/94/347747594.db2.gz SJTLJZSEXDKMPA-UHFFFAOYSA-N 1 2 287.794 2.223 20 30 CEEDLO N#CCCN1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000611174720 347747862 /nfs/dbraw/zinc/74/78/62/347747862.db2.gz LRDJYFIKHYSIOT-UHFFFAOYSA-N 1 2 296.374 2.373 20 30 CEEDLO N#CCCN1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000611175018 347748079 /nfs/dbraw/zinc/74/80/79/347748079.db2.gz VIMUOJAECPWCJW-UHFFFAOYSA-N 1 2 295.333 2.319 20 30 CEEDLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000611939250 347827815 /nfs/dbraw/zinc/82/78/15/347827815.db2.gz PTAXYUBCZVDKKM-WBMJQRKESA-N 1 2 294.358 2.139 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162731 347852204 /nfs/dbraw/zinc/85/22/04/347852204.db2.gz QMCOEAUSDDBXGB-DOMZBBRYSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162731 347852207 /nfs/dbraw/zinc/85/22/07/347852207.db2.gz QMCOEAUSDDBXGB-DOMZBBRYSA-N 1 2 263.385 2.059 20 30 CEEDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000336853017 365927980 /nfs/dbraw/zinc/92/79/80/365927980.db2.gz CBLVEHJSJWJBPD-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000336853017 365927987 /nfs/dbraw/zinc/92/79/87/365927987.db2.gz CBLVEHJSJWJBPD-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO C[C@]1(C#N)CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000612407167 347881233 /nfs/dbraw/zinc/88/12/33/347881233.db2.gz ZOIRIYOJBBSXRX-OAHLLOKOSA-N 1 2 254.337 2.460 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000614050503 348139684 /nfs/dbraw/zinc/13/96/84/348139684.db2.gz CSILBZPUXVYKID-UHFFFAOYSA-N 1 2 280.331 2.002 20 30 CEEDLO Cn1c(CCN2CC[C@](F)(C#N)C2)[nH+]c2ccccc21 ZINC000615638341 348364638 /nfs/dbraw/zinc/36/46/38/348364638.db2.gz GPQBCECCECKREW-HNNXBMFYSA-N 1 2 272.327 2.053 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616864660 348581025 /nfs/dbraw/zinc/58/10/25/348581025.db2.gz IKILRDXYBYJSMZ-OLZOCXBDSA-N 1 2 293.411 2.198 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000617777195 348788412 /nfs/dbraw/zinc/78/84/12/348788412.db2.gz KGQYZXWMWMCPJS-KBPBESRZSA-N 1 2 273.380 2.260 20 30 CEEDLO CC(C)(C#N)CCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000618308074 348923811 /nfs/dbraw/zinc/92/38/11/348923811.db2.gz KVNANSONWKDDDB-NSHDSACASA-N 1 2 260.328 2.408 20 30 CEEDLO CC(C)(C#N)CCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000618308074 348923813 /nfs/dbraw/zinc/92/38/13/348923813.db2.gz KVNANSONWKDDDB-NSHDSACASA-N 1 2 260.328 2.408 20 30 CEEDLO C=CCC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000619111242 349121630 /nfs/dbraw/zinc/12/16/30/349121630.db2.gz YQYLAVSQDHATLT-ZDUSSCGKSA-N 1 2 273.380 2.451 20 30 CEEDLO CCc1cc(N)nc(SCc2ccnc(C#N)c2)[nH+]1 ZINC000619166283 349132999 /nfs/dbraw/zinc/13/29/99/349132999.db2.gz OVYBVHLEQJRHBX-UHFFFAOYSA-N 1 2 271.349 2.011 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619450158 349183917 /nfs/dbraw/zinc/18/39/17/349183917.db2.gz OYIAVFLYIUXYAP-MRXNPFEDSA-N 1 2 294.358 2.028 20 30 CEEDLO C=C[C@H]([NH2+]CC1(CCOCC)CCCC1)C(=O)OC ZINC000619703156 349224185 /nfs/dbraw/zinc/22/41/85/349224185.db2.gz GQGGPDXGFVDMAL-ZDUSSCGKSA-N 1 2 269.385 2.291 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1ccc(F)cc1 ZINC000619716786 349226575 /nfs/dbraw/zinc/22/65/75/349226575.db2.gz HVCWLAAHSMDTIG-ZDUSSCGKSA-N 1 2 251.301 2.028 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1ccc(F)cc1 ZINC000619716786 349226576 /nfs/dbraw/zinc/22/65/76/349226576.db2.gz HVCWLAAHSMDTIG-ZDUSSCGKSA-N 1 2 251.301 2.028 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000619717813 349227372 /nfs/dbraw/zinc/22/73/72/349227372.db2.gz MGHFTLKBHPYGFK-FZMZJTMJSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000619717813 349227376 /nfs/dbraw/zinc/22/73/76/349227376.db2.gz MGHFTLKBHPYGFK-FZMZJTMJSA-N 1 2 263.312 2.343 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000619717997 349227546 /nfs/dbraw/zinc/22/75/46/349227546.db2.gz IXBBGJZBAMTKCD-OAHLLOKOSA-N 1 2 293.338 2.397 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000619719270 349228047 /nfs/dbraw/zinc/22/80/47/349228047.db2.gz GQSMBRBOKCDFEF-OAHLLOKOSA-N 1 2 299.374 2.470 20 30 CEEDLO Cc1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104713378 186018693 /nfs/dbraw/zinc/01/86/93/186018693.db2.gz LWEFJWNSXWPSLP-UHFFFAOYSA-N 1 2 298.346 2.293 20 30 CEEDLO Cc1ncc(C[NH2+]C[C@@H](C)C#N)n1-c1ccccc1 ZINC000092129022 180330018 /nfs/dbraw/zinc/33/00/18/180330018.db2.gz LOQYHIZLCKLPFF-LBPRGKRZSA-N 1 2 254.337 2.430 20 30 CEEDLO Cc1[nH+]cc(CNC[C@@H](C)C#N)n1-c1ccccc1 ZINC000092129022 180330019 /nfs/dbraw/zinc/33/00/19/180330019.db2.gz LOQYHIZLCKLPFF-LBPRGKRZSA-N 1 2 254.337 2.430 20 30 CEEDLO Cc1cc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000092254257 180353528 /nfs/dbraw/zinc/35/35/28/180353528.db2.gz FUDBJFBHCXFRPF-UHFFFAOYSA-N 1 2 281.319 2.134 20 30 CEEDLO C=CCCOCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000625214372 350430207 /nfs/dbraw/zinc/43/02/07/350430207.db2.gz DIJOXFYCTLTHRL-LBPRGKRZSA-N 1 2 263.341 2.056 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1C#N ZINC000625327261 350466896 /nfs/dbraw/zinc/46/68/96/350466896.db2.gz GDDCQFRDRMYOEK-SJORKVTESA-N 1 2 298.386 2.437 20 30 CEEDLO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1C#N ZINC000625327261 350466898 /nfs/dbraw/zinc/46/68/98/350466898.db2.gz GDDCQFRDRMYOEK-SJORKVTESA-N 1 2 298.386 2.437 20 30 CEEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csnn2)CC1 ZINC000130523665 365965045 /nfs/dbraw/zinc/96/50/45/365965045.db2.gz ONQKHEFXUXKPDN-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csnn2)CC1 ZINC000130523665 365965049 /nfs/dbraw/zinc/96/50/49/365965049.db2.gz ONQKHEFXUXKPDN-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO C=CC[C@H]1CC[N@@H+](Cc2nsc(N(C)C)n2)C1 ZINC000625702823 350550587 /nfs/dbraw/zinc/55/05/87/350550587.db2.gz HNNGRKGKNDGRLI-JTQLQIEISA-N 1 2 252.387 2.002 20 30 CEEDLO C=CC[C@H]1CC[N@H+](Cc2nsc(N(C)C)n2)C1 ZINC000625702823 350550589 /nfs/dbraw/zinc/55/05/89/350550589.db2.gz HNNGRKGKNDGRLI-JTQLQIEISA-N 1 2 252.387 2.002 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000681485585 539804467 /nfs/dbraw/zinc/80/44/67/539804467.db2.gz TUDDGMBKCJPOAY-LRDDRELGSA-N 1 2 284.359 2.299 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000681485585 539804469 /nfs/dbraw/zinc/80/44/69/539804469.db2.gz TUDDGMBKCJPOAY-LRDDRELGSA-N 1 2 284.359 2.299 20 30 CEEDLO C=CC(C)(C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000628312745 351057698 /nfs/dbraw/zinc/05/76/98/351057698.db2.gz NCDAQXDQUFTMFS-GFCCVEGCSA-N 1 2 261.369 2.164 20 30 CEEDLO Cn1cccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000336518270 213396681 /nfs/dbraw/zinc/39/66/81/213396681.db2.gz CEGWVAONAMWMBW-KRWDZBQOSA-N 1 2 281.359 2.470 20 30 CEEDLO Cn1cccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000336518270 213396683 /nfs/dbraw/zinc/39/66/83/213396683.db2.gz CEGWVAONAMWMBW-KRWDZBQOSA-N 1 2 281.359 2.470 20 30 CEEDLO C=C1CC(C)(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000630916874 351888844 /nfs/dbraw/zinc/88/88/44/351888844.db2.gz OXFMMHJOZPCBBX-UHFFFAOYSA-N 1 2 287.285 2.418 20 30 CEEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154681313 188156998 /nfs/dbraw/zinc/15/69/98/188156998.db2.gz TVMRWCRKYWFLFV-UHFFFAOYSA-N 1 2 275.352 2.062 20 30 CEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccc(C#N)c1F ZINC000337243347 366101474 /nfs/dbraw/zinc/10/14/74/366101474.db2.gz NTEIZCVUSRVJHO-LLVKDONJSA-N 1 2 278.327 2.471 20 30 CEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccc(C#N)c1F ZINC000337243347 366101481 /nfs/dbraw/zinc/10/14/81/366101481.db2.gz NTEIZCVUSRVJHO-LLVKDONJSA-N 1 2 278.327 2.471 20 30 CEEDLO C=C(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000074314206 363322706 /nfs/dbraw/zinc/32/27/06/363322706.db2.gz HSTOUMQTKVTQKE-JTQLQIEISA-N 1 2 251.355 2.122 20 30 CEEDLO C=C(C)C[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000074314206 363322712 /nfs/dbraw/zinc/32/27/12/363322712.db2.gz HSTOUMQTKVTQKE-JTQLQIEISA-N 1 2 251.355 2.122 20 30 CEEDLO N#Cc1cnc(NCc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000133177743 366202507 /nfs/dbraw/zinc/20/25/07/366202507.db2.gz KEBZHFFSWBCVEZ-UHFFFAOYSA-N 1 2 290.330 2.205 20 30 CEEDLO N#Cc1csc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)n1 ZINC000569770431 299217812 /nfs/dbraw/zinc/21/78/12/299217812.db2.gz ALZQBCFWQOWGCG-UHFFFAOYSA-N 1 2 298.371 2.276 20 30 CEEDLO CCc1nnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000271781772 191322622 /nfs/dbraw/zinc/32/26/22/191322622.db2.gz LVEJSXOUIDSFCJ-UHFFFAOYSA-N 1 2 268.320 2.283 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670082672 540098888 /nfs/dbraw/zinc/09/88/88/540098888.db2.gz ODFPRCWKHLGYEQ-LLVKDONJSA-N 1 2 262.357 2.046 20 30 CEEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1 ZINC000273971312 283120018 /nfs/dbraw/zinc/12/00/18/283120018.db2.gz VJGQEGZZIGWZBR-AWEZNQCLSA-N 1 2 296.330 2.144 20 30 CEEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1 ZINC000273971312 283120023 /nfs/dbraw/zinc/12/00/23/283120023.db2.gz VJGQEGZZIGWZBR-AWEZNQCLSA-N 1 2 296.330 2.144 20 30 CEEDLO N#CCC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078517039 363551125 /nfs/dbraw/zinc/55/11/25/363551125.db2.gz STYPUQILHBUOKR-UHFFFAOYSA-N 1 2 258.321 2.201 20 30 CEEDLO CC[C@H]1COCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000328608232 538847334 /nfs/dbraw/zinc/84/73/34/538847334.db2.gz LWGJRVTXKVHLJB-ZDUSSCGKSA-N 1 2 288.351 2.299 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC/C=C/c1ccccc1 ZINC000578326956 366478054 /nfs/dbraw/zinc/47/80/54/366478054.db2.gz LPIWROQHYFNVHZ-VDZSZVPASA-N 1 2 285.391 2.440 20 30 CEEDLO COC(=O)[C@@](C)([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000578615243 366519614 /nfs/dbraw/zinc/51/96/14/366519614.db2.gz CGBQPWUORLQRNV-INIZCTEOSA-N 1 2 272.348 2.298 20 30 CEEDLO CC(C)Oc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000578524288 366507812 /nfs/dbraw/zinc/50/78/12/366507812.db2.gz SUCVDHUFZMYXEQ-HNNXBMFYSA-N 1 2 291.395 2.092 20 30 CEEDLO CC(C)Oc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000578524288 366507820 /nfs/dbraw/zinc/50/78/20/366507820.db2.gz SUCVDHUFZMYXEQ-HNNXBMFYSA-N 1 2 291.395 2.092 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC(C)(C#N)CC3)ccn12 ZINC000578642101 366526157 /nfs/dbraw/zinc/52/61/57/366526157.db2.gz UHBGHFJEEQZCJL-UHFFFAOYSA-N 1 2 282.347 2.409 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccco1 ZINC000671762247 540505744 /nfs/dbraw/zinc/50/57/44/540505744.db2.gz OQWOIMKHDMALLS-GFCCVEGCSA-N 1 2 288.351 2.198 20 30 CEEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)N1CCCC1 ZINC000674249378 540736165 /nfs/dbraw/zinc/73/61/65/540736165.db2.gz RHBBXEWCEAIEFU-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)N1CCCC1 ZINC000674249378 540736167 /nfs/dbraw/zinc/73/61/67/540736167.db2.gz RHBBXEWCEAIEFU-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO C=CCCS(=O)(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000178320358 189107121 /nfs/dbraw/zinc/10/71/21/189107121.db2.gz KSENCIHSXDKGAO-UHFFFAOYSA-N 1 2 298.408 2.045 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000675153941 540810441 /nfs/dbraw/zinc/81/04/41/540810441.db2.gz GMGVFEUIPUVNGV-UHFFFAOYSA-N 1 2 272.348 2.440 20 30 CEEDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000179748777 189217816 /nfs/dbraw/zinc/21/78/16/189217816.db2.gz RBRSZBJDFGTXCA-UHFFFAOYSA-N 1 2 293.392 2.284 20 30 CEEDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000179748777 189217817 /nfs/dbraw/zinc/21/78/17/189217817.db2.gz RBRSZBJDFGTXCA-UHFFFAOYSA-N 1 2 293.392 2.284 20 30 CEEDLO C#CCCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000179799866 189221046 /nfs/dbraw/zinc/22/10/46/189221046.db2.gz BRDCAPJHCFCZCE-UHFFFAOYSA-N 1 2 277.393 2.263 20 30 CEEDLO C#CCCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000179799866 189221047 /nfs/dbraw/zinc/22/10/47/189221047.db2.gz BRDCAPJHCFCZCE-UHFFFAOYSA-N 1 2 277.393 2.263 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1OC ZINC000179864848 189224442 /nfs/dbraw/zinc/22/44/42/189224442.db2.gz BLVIWNVUJCBPML-CYBMUJFWSA-N 1 2 277.364 2.481 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1OC ZINC000179864848 189224443 /nfs/dbraw/zinc/22/44/43/189224443.db2.gz BLVIWNVUJCBPML-CYBMUJFWSA-N 1 2 277.364 2.481 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)OCC ZINC000677305263 541002117 /nfs/dbraw/zinc/00/21/17/541002117.db2.gz SIIWEFYDJRTSBW-CABCVRRESA-N 1 2 291.395 2.418 20 30 CEEDLO COCC#CC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000677820380 541047108 /nfs/dbraw/zinc/04/71/08/541047108.db2.gz LVWUQPIWGHLSCX-DOTOQJQBSA-N 1 2 273.376 2.407 20 30 CEEDLO COCC#CC[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000677820380 541047110 /nfs/dbraw/zinc/04/71/10/541047110.db2.gz LVWUQPIWGHLSCX-DOTOQJQBSA-N 1 2 273.376 2.407 20 30 CEEDLO N#Cc1cccnc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301648505 201114149 /nfs/dbraw/zinc/11/41/49/201114149.db2.gz QOOUGQUTHIANNH-AWEZNQCLSA-N 1 2 266.304 2.006 20 30 CEEDLO O[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000155730684 366821244 /nfs/dbraw/zinc/82/12/44/366821244.db2.gz HKPKXOYEKFRHBA-ZDUSSCGKSA-N 1 2 287.256 2.176 20 30 CEEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000155730684 366821251 /nfs/dbraw/zinc/82/12/51/366821251.db2.gz HKPKXOYEKFRHBA-ZDUSSCGKSA-N 1 2 287.256 2.176 20 30 CEEDLO C#CC[N@@H+](Cc1nc([C@@H](C)OC)no1)C1CCCC1 ZINC000155751011 366822544 /nfs/dbraw/zinc/82/25/44/366822544.db2.gz VEUSLYRCYXFIQN-LLVKDONJSA-N 1 2 263.341 2.155 20 30 CEEDLO C#CC[N@H+](Cc1nc([C@@H](C)OC)no1)C1CCCC1 ZINC000155751011 366822550 /nfs/dbraw/zinc/82/25/50/366822550.db2.gz VEUSLYRCYXFIQN-LLVKDONJSA-N 1 2 263.341 2.155 20 30 CEEDLO C#CC[N@@H+](Cc1nc(=O)c2sccc2[nH]1)C1CCCC1 ZINC000155860315 366823794 /nfs/dbraw/zinc/82/37/94/366823794.db2.gz GSECZUAWYWTTPJ-UHFFFAOYSA-N 1 2 287.388 2.362 20 30 CEEDLO C#CC[N@H+](Cc1nc(=O)c2sccc2[nH]1)C1CCCC1 ZINC000155860315 366823797 /nfs/dbraw/zinc/82/37/97/366823797.db2.gz GSECZUAWYWTTPJ-UHFFFAOYSA-N 1 2 287.388 2.362 20 30 CEEDLO COC(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000014220836 361453368 /nfs/dbraw/zinc/45/33/68/361453368.db2.gz OSQNGKLOOHBIAS-UHFFFAOYSA-N 1 2 297.358 2.196 20 30 CEEDLO N#Cc1cccnc1NCc1cccnc1-n1cc[nH+]c1 ZINC000029585189 361686296 /nfs/dbraw/zinc/68/62/96/361686296.db2.gz IHFMMWSBZUKXHZ-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000087832711 363872415 /nfs/dbraw/zinc/87/24/15/363872415.db2.gz PYOBPKQXCULMCU-UHFFFAOYSA-N 1 2 288.347 2.094 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000087832711 363872421 /nfs/dbraw/zinc/87/24/21/363872421.db2.gz PYOBPKQXCULMCU-UHFFFAOYSA-N 1 2 288.347 2.094 20 30 CEEDLO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000093091096 364141794 /nfs/dbraw/zinc/14/17/94/364141794.db2.gz RJZAEFHQHGKCNV-STQMWFEESA-N 1 2 290.363 2.361 20 30 CEEDLO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000093091096 364141800 /nfs/dbraw/zinc/14/18/00/364141800.db2.gz RJZAEFHQHGKCNV-STQMWFEESA-N 1 2 290.363 2.361 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCN1CC(F)F ZINC000093767089 364222783 /nfs/dbraw/zinc/22/27/83/364222783.db2.gz QMUUCJMGTVBOQY-LLVKDONJSA-N 1 2 283.322 2.313 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCN1CC(F)F ZINC000093767089 364222785 /nfs/dbraw/zinc/22/27/85/364222785.db2.gz QMUUCJMGTVBOQY-LLVKDONJSA-N 1 2 283.322 2.313 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCC#N)C2)C1 ZINC000158451281 366856849 /nfs/dbraw/zinc/85/68/49/366856849.db2.gz ZZPMNGZOMKKSJP-OAHLLOKOSA-N 1 2 279.384 2.233 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CCC#N)C2)C1 ZINC000158451281 366856850 /nfs/dbraw/zinc/85/68/50/366856850.db2.gz ZZPMNGZOMKKSJP-OAHLLOKOSA-N 1 2 279.384 2.233 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(CC#N)cc2)C[C@H](C)S1=O ZINC000335204845 364620467 /nfs/dbraw/zinc/62/04/67/364620467.db2.gz OHSZDRMZADSCLH-STQMWFEESA-N 1 2 276.405 2.094 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335765561 364950120 /nfs/dbraw/zinc/95/01/20/364950120.db2.gz HREOHIMMXDJPFK-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335765561 364950123 /nfs/dbraw/zinc/95/01/23/364950123.db2.gz HREOHIMMXDJPFK-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000115596018 365017628 /nfs/dbraw/zinc/01/76/28/365017628.db2.gz HWYQUPYYJYTZNE-INIZCTEOSA-N 1 2 297.333 2.322 20 30 CEEDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000118413163 365155962 /nfs/dbraw/zinc/15/59/62/365155962.db2.gz JQCFYFWFVKCZIJ-RYUDHWBXSA-N 1 2 289.404 2.323 20 30 CEEDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000118413163 365155964 /nfs/dbraw/zinc/15/59/64/365155964.db2.gz JQCFYFWFVKCZIJ-RYUDHWBXSA-N 1 2 289.404 2.323 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336005292 365278339 /nfs/dbraw/zinc/27/83/39/365278339.db2.gz NSPJTLLVAWGMMC-GFCCVEGCSA-N 1 2 295.346 2.269 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336005292 365278345 /nfs/dbraw/zinc/27/83/45/365278345.db2.gz NSPJTLLVAWGMMC-GFCCVEGCSA-N 1 2 295.346 2.269 20 30 CEEDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(C#N)cc1OC ZINC000120717801 365464002 /nfs/dbraw/zinc/46/40/02/365464002.db2.gz JKBAOGOXUOLVSM-UHFFFAOYSA-N 1 2 290.363 2.342 20 30 CEEDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(C#N)cc1OC ZINC000120717801 365464009 /nfs/dbraw/zinc/46/40/09/365464009.db2.gz JKBAOGOXUOLVSM-UHFFFAOYSA-N 1 2 290.363 2.342 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000275785645 193127575 /nfs/dbraw/zinc/12/75/75/193127575.db2.gz NBPWSLOUNKHMHW-BBRMVZONSA-N 1 2 291.395 2.345 20 30 CEEDLO COc1cc(C#N)ccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000120484104 365431294 /nfs/dbraw/zinc/43/12/94/365431294.db2.gz NWJCWGPXDVZVGX-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO C[C@@H](CC(=O)NC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000583503258 367058982 /nfs/dbraw/zinc/05/89/82/367058982.db2.gz VQEUHVWWCRATNA-LBPRGKRZSA-N 1 2 260.341 2.177 20 30 CEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000162079444 367136882 /nfs/dbraw/zinc/13/68/82/367136882.db2.gz MWMCJTFNNAPQDU-AWEZNQCLSA-N 1 2 279.347 2.348 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCCCC#N ZINC000171501679 367556764 /nfs/dbraw/zinc/55/67/64/367556764.db2.gz BHMOWGVYEVDUCW-UHFFFAOYSA-N 1 2 270.336 2.155 20 30 CEEDLO C=CCN(CCOC)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632750082 367899814 /nfs/dbraw/zinc/89/98/14/367899814.db2.gz QCHYTTNPOBEMCL-UHFFFAOYSA-N 1 2 299.374 2.076 20 30 CEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173929705 367961585 /nfs/dbraw/zinc/96/15/85/367961585.db2.gz SSCRUYJHLRHKGV-NSHDSACASA-N 1 2 295.433 2.386 20 30 CEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CCS1 ZINC000173929705 367961588 /nfs/dbraw/zinc/96/15/88/367961588.db2.gz SSCRUYJHLRHKGV-NSHDSACASA-N 1 2 295.433 2.386 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682158339 541638371 /nfs/dbraw/zinc/63/83/71/541638371.db2.gz KBIITCVFONCDQR-GOEBONIOSA-N 1 2 291.395 2.275 20 30 CEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000634581038 368726687 /nfs/dbraw/zinc/72/66/87/368726687.db2.gz PAZHFYVSTDRMNT-GWCFXTLKSA-N 1 2 268.307 2.117 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000330611268 203037064 /nfs/dbraw/zinc/03/70/64/203037064.db2.gz PSSZPCNVNHGVAL-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000330611268 203037067 /nfs/dbraw/zinc/03/70/67/203037067.db2.gz PSSZPCNVNHGVAL-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO CC[C@@H](C)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000348011527 368856992 /nfs/dbraw/zinc/85/69/92/368856992.db2.gz SVSSOZCLXHUZQX-IUODEOHRSA-N 1 2 290.363 2.114 20 30 CEEDLO COCC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000185825716 368867907 /nfs/dbraw/zinc/86/79/07/368867907.db2.gz WAWSCWKWEHLIFZ-ZDUSSCGKSA-N 1 2 299.374 2.164 20 30 CEEDLO COCC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000185825716 368867913 /nfs/dbraw/zinc/86/79/13/368867913.db2.gz WAWSCWKWEHLIFZ-ZDUSSCGKSA-N 1 2 299.374 2.164 20 30 CEEDLO Cc1noc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)n1 ZINC000348110382 368901952 /nfs/dbraw/zinc/90/19/52/368901952.db2.gz MGRYAQLJBSFCKR-JTQLQIEISA-N 1 2 259.284 2.219 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000574288715 335007508 /nfs/dbraw/zinc/00/75/08/335007508.db2.gz RVQWUGPYJVFFHS-ONGXEEELSA-N 1 2 280.397 2.369 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000187684308 369202671 /nfs/dbraw/zinc/20/26/71/369202671.db2.gz BBJKATAAPUMNBG-YOEHRIQHSA-N 1 2 296.374 2.217 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000187684308 369202680 /nfs/dbraw/zinc/20/26/80/369202680.db2.gz BBJKATAAPUMNBG-YOEHRIQHSA-N 1 2 296.374 2.217 20 30 CEEDLO C=CCCCCC[N@@H+](C)Cc1nnnn1CC(F)(F)F ZINC000190908144 369661022 /nfs/dbraw/zinc/66/10/22/369661022.db2.gz MGHABAZJBIVKCX-UHFFFAOYSA-N 1 2 291.321 2.414 20 30 CEEDLO C=CCCCCC[N@H+](C)Cc1nnnn1CC(F)(F)F ZINC000190908144 369661025 /nfs/dbraw/zinc/66/10/25/369661025.db2.gz MGHABAZJBIVKCX-UHFFFAOYSA-N 1 2 291.321 2.414 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000191085649 369675254 /nfs/dbraw/zinc/67/52/54/369675254.db2.gz IGNXEUPCGYKQRY-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000191085649 369675262 /nfs/dbraw/zinc/67/52/62/369675262.db2.gz IGNXEUPCGYKQRY-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CCC[N@@H+](C)[C@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000276513467 193363473 /nfs/dbraw/zinc/36/34/73/193363473.db2.gz XUTCZDLSGALUIO-HNNXBMFYSA-N 1 2 293.363 2.426 20 30 CEEDLO C=CCC[N@H+](C)[C@H](C(=O)OC)c1cc(OC)cc(OC)c1 ZINC000276513467 193363474 /nfs/dbraw/zinc/36/34/74/193363474.db2.gz XUTCZDLSGALUIO-HNNXBMFYSA-N 1 2 293.363 2.426 20 30 CEEDLO C=CC[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000636935002 369771175 /nfs/dbraw/zinc/77/11/75/369771175.db2.gz SAMVTXZYGHNVER-ZDUSSCGKSA-N 1 2 284.363 2.442 20 30 CEEDLO C[C@]([NH2+]Cc1cccc(C#N)c1F)(C(N)=O)c1ccccc1 ZINC000352867751 369922605 /nfs/dbraw/zinc/92/26/05/369922605.db2.gz KAGYBBVCADVLJT-QGZVFWFLSA-N 1 2 297.333 2.188 20 30 CEEDLO CC(C)[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000353154179 370043893 /nfs/dbraw/zinc/04/38/93/370043893.db2.gz RRWPOUBBSKXPNN-HNNXBMFYSA-N 1 2 284.363 2.063 20 30 CEEDLO CC(C)[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000353154179 370043896 /nfs/dbraw/zinc/04/38/96/370043896.db2.gz RRWPOUBBSKXPNN-HNNXBMFYSA-N 1 2 284.363 2.063 20 30 CEEDLO CC(C)[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000353154179 370043899 /nfs/dbraw/zinc/04/38/99/370043899.db2.gz RRWPOUBBSKXPNN-HNNXBMFYSA-N 1 2 284.363 2.063 20 30 CEEDLO C=C(C)COCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195076889 370102152 /nfs/dbraw/zinc/10/21/52/370102152.db2.gz VZFIDABOFZHBLT-CQSZACIVSA-N 1 2 272.352 2.076 20 30 CEEDLO N#CCSCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195177288 370111407 /nfs/dbraw/zinc/11/14/07/370111407.db2.gz KXUJWRZVVYXYMG-UHFFFAOYSA-N 1 2 272.333 2.272 20 30 CEEDLO C=CCCCCCN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000195265280 370120709 /nfs/dbraw/zinc/12/07/09/370120709.db2.gz ACECYTHTOMDTBU-UHFFFAOYSA-N 1 2 274.372 2.128 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247276082 371086708 /nfs/dbraw/zinc/08/67/08/371086708.db2.gz SMQSNYRXUVVJSF-HUUCEWRRSA-N 1 2 292.379 2.404 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247276082 371086713 /nfs/dbraw/zinc/08/67/13/371086713.db2.gz SMQSNYRXUVVJSF-HUUCEWRRSA-N 1 2 292.379 2.404 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N ZINC000247624075 371130407 /nfs/dbraw/zinc/13/04/07/371130407.db2.gz NKDPYWBFTMQDPE-GOEBONIOSA-N 1 2 288.391 2.389 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000247624075 371130409 /nfs/dbraw/zinc/13/04/09/371130409.db2.gz NKDPYWBFTMQDPE-GOEBONIOSA-N 1 2 288.391 2.389 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(CC)CC(F)(F)F ZINC000639617120 371445513 /nfs/dbraw/zinc/44/55/13/371445513.db2.gz PQIJCJSLJBHSQP-LLVKDONJSA-N 1 2 278.318 2.438 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CC)CC(F)(F)F ZINC000639617120 371445517 /nfs/dbraw/zinc/44/55/17/371445517.db2.gz PQIJCJSLJBHSQP-LLVKDONJSA-N 1 2 278.318 2.438 20 30 CEEDLO CCn1ccnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344112746 217056621 /nfs/dbraw/zinc/05/66/21/217056621.db2.gz LXHVYSROKFMSOC-UHFFFAOYSA-N 1 2 298.390 2.423 20 30 CEEDLO CCn1ccnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344112746 217056624 /nfs/dbraw/zinc/05/66/24/217056624.db2.gz LXHVYSROKFMSOC-UHFFFAOYSA-N 1 2 298.390 2.423 20 30 CEEDLO C=CCN(CCc1ccccc1)C(=O)NCc1[nH+]ccn1C ZINC000264164650 371982065 /nfs/dbraw/zinc/98/20/65/371982065.db2.gz LIXXCSQWJQQUSL-UHFFFAOYSA-N 1 2 298.390 2.360 20 30 CEEDLO CC(C)[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000264795934 372004487 /nfs/dbraw/zinc/00/44/87/372004487.db2.gz SKVDGHRGTFOWSE-AWEZNQCLSA-N 1 2 268.320 2.150 20 30 CEEDLO N#CC[N@@H+](CCC(=O)Nc1cccnc1)C1CCCC1 ZINC000361828537 372087882 /nfs/dbraw/zinc/08/78/82/372087882.db2.gz FTNSWWMAJPEBRE-UHFFFAOYSA-N 1 2 272.352 2.178 20 30 CEEDLO N#CC[N@H+](CCC(=O)Nc1cccnc1)C1CCCC1 ZINC000361828537 372087884 /nfs/dbraw/zinc/08/78/84/372087884.db2.gz FTNSWWMAJPEBRE-UHFFFAOYSA-N 1 2 272.352 2.178 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000268549255 372132795 /nfs/dbraw/zinc/13/27/95/372132795.db2.gz MXCCCVRGVNUTFK-LSDHHAIUSA-N 1 2 277.364 2.160 20 30 CEEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000268549255 372132798 /nfs/dbraw/zinc/13/27/98/372132798.db2.gz MXCCCVRGVNUTFK-LSDHHAIUSA-N 1 2 277.364 2.160 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCC2CCCCC2)nn1 ZINC000641076451 372283917 /nfs/dbraw/zinc/28/39/17/372283917.db2.gz DBJWKVKQHASRMZ-UHFFFAOYSA-N 1 2 260.385 2.361 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362520923 372403312 /nfs/dbraw/zinc/40/33/12/372403312.db2.gz RCTNVBACGWYHAV-KRWDZBQOSA-N 1 2 286.375 2.186 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362520923 372403318 /nfs/dbraw/zinc/40/33/18/372403318.db2.gz RCTNVBACGWYHAV-KRWDZBQOSA-N 1 2 286.375 2.186 20 30 CEEDLO N#Cc1cccc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000269852374 372579950 /nfs/dbraw/zinc/57/99/50/372579950.db2.gz GDXRHGKRLQTEOG-ZDUSSCGKSA-N 1 2 265.320 2.039 20 30 CEEDLO C=C(Br)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000363891606 372650399 /nfs/dbraw/zinc/65/03/99/372650399.db2.gz ZVMVZEULYWGAOJ-UHFFFAOYSA-N 1 2 260.175 2.398 20 30 CEEDLO C=C(Br)C[N@H+]1CCOCC2(CCC2)C1 ZINC000363891606 372650411 /nfs/dbraw/zinc/65/04/11/372650411.db2.gz ZVMVZEULYWGAOJ-UHFFFAOYSA-N 1 2 260.175 2.398 20 30 CEEDLO C=CCCCCCn1cc[nH+]c1CN1CCOCC1 ZINC000641724064 372657316 /nfs/dbraw/zinc/65/73/16/372657316.db2.gz BASUITCYMVBCMN-UHFFFAOYSA-N 1 2 263.385 2.462 20 30 CEEDLO C#CC[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000270163047 372683889 /nfs/dbraw/zinc/68/38/89/372683889.db2.gz ZBBMSTSJAUIHCV-GOEBONIOSA-N 1 2 296.374 2.335 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000574417925 335018643 /nfs/dbraw/zinc/01/86/43/335018643.db2.gz KULMQVDURVYBEI-MRXNPFEDSA-N 1 2 294.439 2.302 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000574417925 335018644 /nfs/dbraw/zinc/01/86/44/335018644.db2.gz KULMQVDURVYBEI-MRXNPFEDSA-N 1 2 294.439 2.302 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@]2(CCCOC2)O1 ZINC000366459745 373057899 /nfs/dbraw/zinc/05/78/99/373057899.db2.gz MQQKWFAAKHWSEM-SWLSCSKDSA-N 1 2 292.404 2.390 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@]2(CCCOC2)O1 ZINC000366459745 373057906 /nfs/dbraw/zinc/05/79/06/373057906.db2.gz MQQKWFAAKHWSEM-SWLSCSKDSA-N 1 2 292.404 2.390 20 30 CEEDLO COc1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)ccc1C#N ZINC000369712993 373494617 /nfs/dbraw/zinc/49/46/17/373494617.db2.gz RWRURZDTZKHWGA-UHFFFAOYSA-N 1 2 297.362 2.065 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(C#N)n1)CCC2 ZINC000370152023 373590589 /nfs/dbraw/zinc/59/05/89/373590589.db2.gz YCFOVARKKOPGFJ-LBPRGKRZSA-N 1 2 267.336 2.448 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000274127154 373820138 /nfs/dbraw/zinc/82/01/38/373820138.db2.gz HUSPRZFHSQIXHJ-UHFFFAOYSA-N 1 2 287.388 2.273 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000274127154 373820144 /nfs/dbraw/zinc/82/01/44/373820144.db2.gz HUSPRZFHSQIXHJ-UHFFFAOYSA-N 1 2 287.388 2.273 20 30 CEEDLO C#CC[N@H+](Cc1nc(-c2ccsc2)no1)C1CC1 ZINC000274132099 373822623 /nfs/dbraw/zinc/82/26/23/373822623.db2.gz IPZRYTPNQMPLLM-UHFFFAOYSA-N 1 2 259.334 2.396 20 30 CEEDLO C#CC[N@@H+](Cc1nc(-c2ccsc2)no1)C1CC1 ZINC000274132099 373822632 /nfs/dbraw/zinc/82/26/32/373822632.db2.gz IPZRYTPNQMPLLM-UHFFFAOYSA-N 1 2 259.334 2.396 20 30 CEEDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000274563012 373963384 /nfs/dbraw/zinc/96/33/84/373963384.db2.gz CRXIEGGPBKZVTM-SNVBAGLBSA-N 1 2 255.325 2.090 20 30 CEEDLO C#CCCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000277067098 374393766 /nfs/dbraw/zinc/39/37/66/374393766.db2.gz KMJCXDZJYYGRMS-UHFFFAOYSA-N 1 2 255.321 2.062 20 30 CEEDLO CC[N@H+](CC#Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000277043833 374386465 /nfs/dbraw/zinc/38/64/65/374386465.db2.gz UFFFDFJZFYUDSB-ZDUSSCGKSA-N 1 2 271.282 2.283 20 30 CEEDLO CC[N@@H+](CC#Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000277043833 374386471 /nfs/dbraw/zinc/38/64/71/374386471.db2.gz UFFFDFJZFYUDSB-ZDUSSCGKSA-N 1 2 271.282 2.283 20 30 CEEDLO C#CCCCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000277163982 374422290 /nfs/dbraw/zinc/42/22/90/374422290.db2.gz YKLQISFHFHXCEF-UHFFFAOYSA-N 1 2 255.321 2.062 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000277429840 374516576 /nfs/dbraw/zinc/51/65/76/374516576.db2.gz JLEVGERTMKQSPW-XOBRGWDASA-N 1 2 293.432 2.452 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000277429840 374516583 /nfs/dbraw/zinc/51/65/83/374516583.db2.gz JLEVGERTMKQSPW-XOBRGWDASA-N 1 2 293.432 2.452 20 30 CEEDLO C#CCCCC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277465510 374529600 /nfs/dbraw/zinc/52/96/00/374529600.db2.gz GWSMPGLGYGQTRT-UHFFFAOYSA-N 1 2 275.396 2.488 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)C1(C#N)CCCCC1)CC2 ZINC000374659971 374625327 /nfs/dbraw/zinc/62/53/27/374625327.db2.gz DYIUGSAIDOJBHQ-UHFFFAOYSA-N 1 2 272.352 2.008 20 30 CEEDLO C#CCn1ccc(CN(CC)Cc2cccc3[nH+]ccn32)n1 ZINC000279444681 374878203 /nfs/dbraw/zinc/87/82/03/374878203.db2.gz RUSSXXCLOPZQNT-UHFFFAOYSA-N 1 2 293.374 2.186 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c1C ZINC000279925280 375032911 /nfs/dbraw/zinc/03/29/11/375032911.db2.gz WKZJERDHCOTFCZ-INIZCTEOSA-N 1 2 290.407 2.176 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c1C ZINC000279925280 375032917 /nfs/dbraw/zinc/03/29/17/375032917.db2.gz WKZJERDHCOTFCZ-INIZCTEOSA-N 1 2 290.407 2.176 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000280231119 375137231 /nfs/dbraw/zinc/13/72/31/375137231.db2.gz AKEORSFYNNRJQT-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000280231119 375137236 /nfs/dbraw/zinc/13/72/36/375137236.db2.gz AKEORSFYNNRJQT-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)cc1OC ZINC000280912366 375345292 /nfs/dbraw/zinc/34/52/92/375345292.db2.gz QLYJAWWHWCYRMC-GFCCVEGCSA-N 1 2 293.363 2.253 20 30 CEEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)cc1OC ZINC000280912366 375345295 /nfs/dbraw/zinc/34/52/95/375345295.db2.gz QLYJAWWHWCYRMC-GFCCVEGCSA-N 1 2 293.363 2.253 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2OC)C1=O ZINC000281379622 375376466 /nfs/dbraw/zinc/37/64/66/375376466.db2.gz OZVLWVCQSRCMRI-CQSZACIVSA-N 1 2 292.354 2.053 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2OC)C1=O ZINC000281379622 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CC(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C(C)C ZINC000433307030 377787563 /nfs/dbraw/zinc/78/75/63/377787563.db2.gz SYQBDLAYETXOQO-UHFFFAOYSA-N 1 2 267.417 2.361 20 30 CEEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433309292 377787797 /nfs/dbraw/zinc/78/77/97/377787797.db2.gz YJRKPKQUNWNPNC-STQMWFEESA-N 1 2 265.401 2.257 20 30 CEEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433309292 377787799 /nfs/dbraw/zinc/78/77/99/377787799.db2.gz YJRKPKQUNWNPNC-STQMWFEESA-N 1 2 265.401 2.257 20 30 CEEDLO C=CCCOCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000294687093 378010300 /nfs/dbraw/zinc/01/03/00/378010300.db2.gz IKQUTUAWMQSWGM-GFCCVEGCSA-N 1 2 278.381 2.138 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000446851051 378085573 /nfs/dbraw/zinc/08/55/73/378085573.db2.gz AKNFZKMLMHUUOK-CYBMUJFWSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000446851051 378085580 /nfs/dbraw/zinc/08/55/80/378085580.db2.gz 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CC[N@@H+](CCC#N)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000304691682 379591937 /nfs/dbraw/zinc/59/19/37/379591937.db2.gz HHBBYDHUJZAMCV-HNNXBMFYSA-N 1 2 276.380 2.279 20 30 CEEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000526135573 379706570 /nfs/dbraw/zinc/70/65/70/379706570.db2.gz MLXHITAYXOFOOX-OAHLLOKOSA-N 1 2 298.390 2.089 20 30 CEEDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000526135573 379706581 /nfs/dbraw/zinc/70/65/81/379706581.db2.gz MLXHITAYXOFOOX-OAHLLOKOSA-N 1 2 298.390 2.089 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000478664584 380078392 /nfs/dbraw/zinc/07/83/92/380078392.db2.gz WXXNBESUBGLWHX-CQSZACIVSA-N 1 2 287.354 2.018 20 30 CEEDLO C#CCCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000268320569 190395174 /nfs/dbraw/zinc/39/51/74/190395174.db2.gz RKMTYNITQQFBEB-UHFFFAOYSA-N 1 2 281.359 2.465 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000334355997 380294143 /nfs/dbraw/zinc/29/41/43/380294143.db2.gz 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/nfs/dbraw/zinc/59/62/02/380596202.db2.gz ZTTMHXKFYCKGGJ-SREVYHEPSA-N 1 2 296.330 2.457 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](CCC#N)[C@@H]2C1 ZINC000496658578 381223056 /nfs/dbraw/zinc/22/30/56/381223056.db2.gz FKFYASGWXWNCAC-QWHCGFSZSA-N 1 2 279.384 2.231 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](CCC#N)[C@@H]2C1 ZINC000496658578 381223063 /nfs/dbraw/zinc/22/30/63/381223063.db2.gz FKFYASGWXWNCAC-QWHCGFSZSA-N 1 2 279.384 2.231 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@H+](CC#N)C2)C1 ZINC000496951272 381233616 /nfs/dbraw/zinc/23/36/16/381233616.db2.gz URFUESQETARFSB-UONOGXRCSA-N 1 2 293.411 2.479 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CC#N)C2)C1 ZINC000496951272 381233626 /nfs/dbraw/zinc/23/36/26/381233626.db2.gz URFUESQETARFSB-UONOGXRCSA-N 1 2 293.411 2.479 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000335306163 208151634 /nfs/dbraw/zinc/15/16/34/208151634.db2.gz RJXSGHFFAGNAAF-CYBMUJFWSA-N 1 2 295.346 2.313 20 30 CEEDLO N#Cc1ccc(Cl)c(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000335325580 208194442 /nfs/dbraw/zinc/19/44/42/208194442.db2.gz YPLFETOEOLMZDK-UHFFFAOYSA-N 1 2 286.722 2.064 20 30 CEEDLO CC(C)OCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186834743 262112205 /nfs/dbraw/zinc/11/22/05/262112205.db2.gz BVBJPARPENFPFI-UHFFFAOYSA-N 1 2 288.294 2.057 20 30 CEEDLO O=C(C[C@@H]1CCOC1)NCc1cn2ccccc2[nH+]1 ZINC000329236377 227372744 /nfs/dbraw/zinc/37/27/44/227372744.db2.gz JMGINWWGDTZBAG-NSHDSACASA-N 1 2 259.309 2.217 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000353414843 533603071 /nfs/dbraw/zinc/60/30/71/533603071.db2.gz CLQCLFJTNXGSIG-SECBINFHSA-N 1 2 260.263 2.179 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000353414843 533603075 /nfs/dbraw/zinc/60/30/75/533603075.db2.gz CLQCLFJTNXGSIG-SECBINFHSA-N 1 2 260.263 2.179 20 30 CEEDLO COC(=O)[C@H](C)[N@H+](Cc1ccc(C#N)o1)C1CCC1 ZINC000191641524 130268108 /nfs/dbraw/zinc/26/81/08/130268108.db2.gz UYUBRANXZSVBBD-JTQLQIEISA-N 1 2 262.309 2.067 20 30 CEEDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(C#N)o1)C1CCC1 ZINC000191641524 130268110 /nfs/dbraw/zinc/26/81/10/130268110.db2.gz UYUBRANXZSVBBD-JTQLQIEISA-N 1 2 262.309 2.067 20 30 CEEDLO N#Cc1ccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263910420 131358787 /nfs/dbraw/zinc/35/87/87/131358787.db2.gz BLTIXWUEZSLZDU-OAHLLOKOSA-N 1 2 294.358 2.230 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263932957 131363986 /nfs/dbraw/zinc/36/39/86/131363986.db2.gz DBOGMSAWUNAVIC-QWHCGFSZSA-N 1 2 277.368 2.097 20 30 CEEDLO C=CCSCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413090878 394481995 /nfs/dbraw/zinc/48/19/95/394481995.db2.gz AYXLUVHKYZPMMB-UHFFFAOYSA-N 1 2 250.371 2.382 20 30 CEEDLO C=CCSCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413090878 394481997 /nfs/dbraw/zinc/48/19/97/394481997.db2.gz AYXLUVHKYZPMMB-UHFFFAOYSA-N 1 2 250.371 2.382 20 30 CEEDLO O=C(CCC1CCOCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328983827 394558664 /nfs/dbraw/zinc/55/86/64/394558664.db2.gz ZBLVNOJZZBNFHC-LBPRGKRZSA-N 1 2 277.368 2.430 20 30 CEEDLO O=C(CCC1CCOCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328983827 394558665 /nfs/dbraw/zinc/55/86/65/394558665.db2.gz ZBLVNOJZZBNFHC-LBPRGKRZSA-N 1 2 277.368 2.430 20 30 CEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC000329424772 394563096 /nfs/dbraw/zinc/56/30/96/394563096.db2.gz GOJDWFJLXJQQQD-GFCCVEGCSA-N 1 2 291.399 2.192 20 30 CEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC000329424772 394563098 /nfs/dbraw/zinc/56/30/98/394563098.db2.gz GOJDWFJLXJQQQD-GFCCVEGCSA-N 1 2 291.399 2.192 20 30 CEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3CCCC3)C2)n1 ZINC000329424772 394563100 /nfs/dbraw/zinc/56/31/00/394563100.db2.gz GOJDWFJLXJQQQD-GFCCVEGCSA-N 1 2 291.399 2.192 20 30 CEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3CCCC3)C2)n1 ZINC000329424772 394563104 /nfs/dbraw/zinc/56/31/04/394563104.db2.gz GOJDWFJLXJQQQD-GFCCVEGCSA-N 1 2 291.399 2.192 20 30 CEEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CCCC3)C2)n[nH]1 ZINC000329424772 394563107 /nfs/dbraw/zinc/56/31/07/394563107.db2.gz GOJDWFJLXJQQQD-GFCCVEGCSA-N 1 2 291.399 2.192 20 30 CEEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCC3)C2)n[nH]1 ZINC000329424772 394563109 /nfs/dbraw/zinc/56/31/09/394563109.db2.gz GOJDWFJLXJQQQD-GFCCVEGCSA-N 1 2 291.399 2.192 20 30 CEEDLO CCC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329817010 394587515 /nfs/dbraw/zinc/58/75/15/394587515.db2.gz OGIYHSJPLGAWST-LBPRGKRZSA-N 1 2 276.384 2.406 20 30 CEEDLO Cc1cn2cc(NC(=O)N3CCCO[C@H](C)C3)ccc2[nH+]1 ZINC000329823721 394588627 /nfs/dbraw/zinc/58/86/27/394588627.db2.gz HRKBGRCKBSTZLR-GFCCVEGCSA-N 1 2 288.351 2.299 20 30 CEEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1cccc(C#N)c1 ZINC000048572676 394517986 /nfs/dbraw/zinc/51/79/86/394517986.db2.gz LIPHELNSCGWDKY-UHFFFAOYSA-N 1 2 287.348 2.130 20 30 CEEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1cccc(C#N)c1 ZINC000048572676 394517992 /nfs/dbraw/zinc/51/79/92/394517992.db2.gz LIPHELNSCGWDKY-UHFFFAOYSA-N 1 2 287.348 2.130 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2(C(F)F)CC2)C1 ZINC000329919420 394594873 /nfs/dbraw/zinc/59/48/73/394594873.db2.gz DFWXAWWHPCGROH-JTQLQIEISA-N 1 2 298.337 2.169 20 30 CEEDLO Cc1cc(NCCc2cn(C)c[nH+]2)c(C#N)cc1[N+](=O)[O-] ZINC000413387468 394541404 /nfs/dbraw/zinc/54/14/04/394541404.db2.gz XEUMWWISZICENU-UHFFFAOYSA-N 1 2 285.307 2.163 20 30 CEEDLO N#CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000049750597 394551508 /nfs/dbraw/zinc/55/15/08/394551508.db2.gz DMPQNWLDSQYWMF-UHFFFAOYSA-N 1 2 282.347 2.122 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](C)C1 ZINC000330370868 394601690 /nfs/dbraw/zinc/60/16/90/394601690.db2.gz GXHFUEFDBDGLOA-GFCCVEGCSA-N 1 2 264.373 2.295 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)c[nH+]1 ZINC000330388436 394603282 /nfs/dbraw/zinc/60/32/82/394603282.db2.gz CTTICYFGIRTYIT-VXNVDRBHSA-N 1 2 259.256 2.183 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)NCC1CCC(F)(F)CC1 ZINC000330398600 394605226 /nfs/dbraw/zinc/60/52/26/394605226.db2.gz STEZRGNXRQRQBR-UHFFFAOYSA-N 1 2 286.326 2.249 20 30 CEEDLO CN(C)C(=O)[C@H]1CCC[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000265110554 394645903 /nfs/dbraw/zinc/64/59/03/394645903.db2.gz DLNRETKJKDCALS-XWDBZTJWSA-N 1 2 274.364 2.458 20 30 CEEDLO COc1cc[nH+]c(CN(CCC#N)Cc2ccccn2)c1 ZINC000267415463 394678206 /nfs/dbraw/zinc/67/82/06/394678206.db2.gz LEJPHKRYDKTASG-UHFFFAOYSA-N 1 2 282.347 2.401 20 30 CEEDLO C[C@@H]1SCC[N@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000334493048 394690801 /nfs/dbraw/zinc/69/08/01/394690801.db2.gz AXBBBHLVKOCTIQ-IUCAKERBSA-N 1 2 253.396 2.341 20 30 CEEDLO C[C@@H]1SCC[N@@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000334493048 394690803 /nfs/dbraw/zinc/69/08/03/394690803.db2.gz AXBBBHLVKOCTIQ-IUCAKERBSA-N 1 2 253.396 2.341 20 30 CEEDLO CC(C)c1nc(N(C)C)nc(NCCCCC#N)[nH+]1 ZINC000271222317 394752489 /nfs/dbraw/zinc/75/24/89/394752489.db2.gz VWEUUQHZCYBSAR-UHFFFAOYSA-N 1 2 262.361 2.167 20 30 CEEDLO CC(C)c1nc(NCCCCC#N)nc(N(C)C)[nH+]1 ZINC000271222317 394752491 /nfs/dbraw/zinc/75/24/91/394752491.db2.gz VWEUUQHZCYBSAR-UHFFFAOYSA-N 1 2 262.361 2.167 20 30 CEEDLO C[C@H]1C[C@@H](C/[NH+]=C/c2ccc(O)c(O)c2O)CCO1 ZINC000271457762 394758350 /nfs/dbraw/zinc/75/83/50/394758350.db2.gz WJDRGECTEARYHB-UVLPWMTESA-N 1 2 265.309 2.037 20 30 CEEDLO CCN(CC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000121030888 394790384 /nfs/dbraw/zinc/79/03/84/394790384.db2.gz ASDWCGUZEUGZEN-UHFFFAOYSA-N 1 2 254.337 2.277 20 30 CEEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000361055374 394813660 /nfs/dbraw/zinc/81/36/60/394813660.db2.gz DUJYWBKZRZOEPK-AWEZNQCLSA-N 1 2 296.374 2.219 20 30 CEEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000361055374 394813664 /nfs/dbraw/zinc/81/36/64/394813664.db2.gz DUJYWBKZRZOEPK-AWEZNQCLSA-N 1 2 296.374 2.219 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)OC ZINC000361110334 394816085 /nfs/dbraw/zinc/81/60/85/394816085.db2.gz PFSDUJORAUSIOI-UKRRQHHQSA-N 1 2 277.364 2.124 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(=O)OC ZINC000361108198 394816127 /nfs/dbraw/zinc/81/61/27/394816127.db2.gz JSLLVHMETWNKNV-XQQFMLRXSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC[C@@H]1C1CC1)C(=O)OC ZINC000361114315 394817280 /nfs/dbraw/zinc/81/72/80/394817280.db2.gz RMWCAORXOZCAPM-ILXRZTDVSA-N 1 2 281.396 2.289 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)nnn2C)C1CC1 ZINC000338348820 394915357 /nfs/dbraw/zinc/91/53/57/394915357.db2.gz LIHKLDGXZIQOOB-NSHDSACASA-N 1 2 269.352 2.092 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)nnn2C)C1CC1 ZINC000338348820 394915358 /nfs/dbraw/zinc/91/53/58/394915358.db2.gz LIHKLDGXZIQOOB-NSHDSACASA-N 1 2 269.352 2.092 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000367049099 394956497 /nfs/dbraw/zinc/95/64/97/394956497.db2.gz BWCGDAZUSSIZQF-LRDDRELGSA-N 1 2 294.345 2.387 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000367049099 394956500 /nfs/dbraw/zinc/95/65/00/394956500.db2.gz BWCGDAZUSSIZQF-LRDDRELGSA-N 1 2 294.345 2.387 20 30 CEEDLO CC#CC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000339751864 394969775 /nfs/dbraw/zinc/96/97/75/394969775.db2.gz BLXMTTFVTNCONM-UHFFFAOYSA-N 1 2 257.312 2.467 20 30 CEEDLO CC#CC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000339751864 394969776 /nfs/dbraw/zinc/96/97/76/394969776.db2.gz BLXMTTFVTNCONM-UHFFFAOYSA-N 1 2 257.312 2.467 20 30 CEEDLO C=CCN1CC(=O)N(c2cccc(-c3[nH+]ccn3C)c2)C1=O ZINC000373090604 395054321 /nfs/dbraw/zinc/05/43/21/395054321.db2.gz AJOOBTAVWIUSJO-UHFFFAOYSA-N 1 2 296.330 2.042 20 30 CEEDLO Cc1cc(NCCOCC(F)(F)C(F)F)c(C#N)c[nH+]1 ZINC000425261478 395055007 /nfs/dbraw/zinc/05/50/07/395055007.db2.gz QIYLPPKGRMXZBL-UHFFFAOYSA-N 1 2 291.248 2.013 20 30 CEEDLO Cc1cc(NC[C@@](C)(CO)c2ccccc2)c(C#N)c[nH+]1 ZINC000425249795 395055096 /nfs/dbraw/zinc/05/50/96/395055096.db2.gz DEXDFUGDVVDLFA-KRWDZBQOSA-N 1 2 281.359 2.046 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)C(C)(C)C ZINC000288508696 395062197 /nfs/dbraw/zinc/06/21/97/395062197.db2.gz BAHZVEXEIKWFNQ-CQSZACIVSA-N 1 2 298.390 2.490 20 30 CEEDLO COC(=O)c1conc1C(C)(C)[NH2+]CCC(C)(C)C#N ZINC000425581058 395065321 /nfs/dbraw/zinc/06/53/21/395065321.db2.gz DHBWLUMSOQOLSK-UHFFFAOYSA-N 1 2 279.340 2.226 20 30 CEEDLO C=CC[NH+](CC=C)Cc1cnc(C2OCCO2)s1 ZINC000289096773 395070098 /nfs/dbraw/zinc/07/00/98/395070098.db2.gz LTFNYKJCDJZSBC-UHFFFAOYSA-N 1 2 266.366 2.363 20 30 CEEDLO CC(C)C[N@H+](Cc1ncnn1C)Cc1ccc(C#N)cc1 ZINC000426365576 395075042 /nfs/dbraw/zinc/07/50/42/395075042.db2.gz MRNKIAIHDVTQBK-UHFFFAOYSA-N 1 2 283.379 2.345 20 30 CEEDLO CC(C)C[N@@H+](Cc1ncnn1C)Cc1ccc(C#N)cc1 ZINC000426365576 395075044 /nfs/dbraw/zinc/07/50/44/395075044.db2.gz MRNKIAIHDVTQBK-UHFFFAOYSA-N 1 2 283.379 2.345 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)CCc1c[nH+]cn1C ZINC000287364740 395039619 /nfs/dbraw/zinc/03/96/19/395039619.db2.gz NVDMASVDWUPBNF-MRXNPFEDSA-N 1 2 295.386 2.104 20 30 CEEDLO C=C[C@](C)(O)CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000290324789 395099498 /nfs/dbraw/zinc/09/94/98/395099498.db2.gz BZNLTORHAIBAHH-INIZCTEOSA-N 1 2 293.411 2.011 20 30 CEEDLO C=CCn1cccc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000346951422 395115255 /nfs/dbraw/zinc/11/52/55/395115255.db2.gz XSZJVWNFZBDEPC-UHFFFAOYSA-N 1 2 269.308 2.048 20 30 CEEDLO C#CCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290520098 395106748 /nfs/dbraw/zinc/10/67/48/395106748.db2.gz YWUDCISODOECNC-CQSZACIVSA-N 1 2 254.337 2.287 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCCC#N)C2 ZINC000376057787 395107915 /nfs/dbraw/zinc/10/79/15/395107915.db2.gz RGNANEHLMPFRER-LBPRGKRZSA-N 1 2 288.395 2.448 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCCC#N)CC2 ZINC000376057787 395107916 /nfs/dbraw/zinc/10/79/16/395107916.db2.gz RGNANEHLMPFRER-LBPRGKRZSA-N 1 2 288.395 2.448 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000348879200 395153761 /nfs/dbraw/zinc/15/37/61/395153761.db2.gz BIKYARKHXGHVTN-SMDDNHRTSA-N 1 2 278.356 2.043 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000348879200 395153766 /nfs/dbraw/zinc/15/37/66/395153766.db2.gz BIKYARKHXGHVTN-SMDDNHRTSA-N 1 2 278.356 2.043 20 30 CEEDLO Cc1c(C[N@H+](C)Cc2cc(C#N)ccc2F)cnn1C ZINC000505267834 395166738 /nfs/dbraw/zinc/16/67/38/395166738.db2.gz WKDKAGLOZINVQB-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO Cc1c(C[N@@H+](C)Cc2cc(C#N)ccc2F)cnn1C ZINC000505267834 395166740 /nfs/dbraw/zinc/16/67/40/395166740.db2.gz WKDKAGLOZINVQB-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000293334542 395229469 /nfs/dbraw/zinc/22/94/69/395229469.db2.gz YHTFXWGVVWGRHK-GFCCVEGCSA-N 1 2 262.328 2.416 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000293334542 395229472 /nfs/dbraw/zinc/22/94/72/395229472.db2.gz YHTFXWGVVWGRHK-GFCCVEGCSA-N 1 2 262.328 2.416 20 30 CEEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000293600577 395243443 /nfs/dbraw/zinc/24/34/43/395243443.db2.gz XXIVORGDHMWDKG-UHFFFAOYSA-N 1 2 294.420 2.234 20 30 CEEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000293600577 395243447 /nfs/dbraw/zinc/24/34/47/395243447.db2.gz XXIVORGDHMWDKG-UHFFFAOYSA-N 1 2 294.420 2.234 20 30 CEEDLO CCOC1(C)C[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000399852419 395248232 /nfs/dbraw/zinc/24/82/32/395248232.db2.gz HZUSPQCDHNHLOE-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000516948491 395185003 /nfs/dbraw/zinc/18/50/03/395185003.db2.gz JCNPGXHFFADFHR-ZFWWWQNUSA-N 1 2 289.379 2.223 20 30 CEEDLO C[C@H](CCC#N)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000351179142 395193020 /nfs/dbraw/zinc/19/30/20/395193020.db2.gz DDYGIPOMGGASPK-HUUCEWRRSA-N 1 2 272.396 2.452 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351232243 395195422 /nfs/dbraw/zinc/19/54/22/395195422.db2.gz KRNOYJXXPIQATD-OLZOCXBDSA-N 1 2 271.320 2.422 20 30 CEEDLO C#CC[N@@H+](Cc1nnc(C2CCC2)n1C)C1CCCC1 ZINC000181423448 395214937 /nfs/dbraw/zinc/21/49/37/395214937.db2.gz YKDFQEJYPHOHQU-UHFFFAOYSA-N 1 2 272.396 2.460 20 30 CEEDLO C#CC[N@H+](Cc1nnc(C2CCC2)n1C)C1CCCC1 ZINC000181423448 395214942 /nfs/dbraw/zinc/21/49/42/395214942.db2.gz YKDFQEJYPHOHQU-UHFFFAOYSA-N 1 2 272.396 2.460 20 30 CEEDLO COc1cc[nH+]c(CN2Cc3cccc(C#N)c3C2)c1OC ZINC000405080022 395288072 /nfs/dbraw/zinc/28/80/72/395288072.db2.gz FOBIIPAZGUWWGT-UHFFFAOYSA-N 1 2 295.342 2.486 20 30 CEEDLO CCOC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000528725629 395294228 /nfs/dbraw/zinc/29/42/28/395294228.db2.gz RSNRPDVOSUOFJK-BBRMVZONSA-N 1 2 274.364 2.357 20 30 CEEDLO CCOC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000528725629 395294231 /nfs/dbraw/zinc/29/42/31/395294231.db2.gz RSNRPDVOSUOFJK-BBRMVZONSA-N 1 2 274.364 2.357 20 30 CEEDLO N#CC1(CC[N@@H+]2CCc3nn[nH]c3C2)CCCCC1 ZINC000411624784 395332448 /nfs/dbraw/zinc/33/24/48/395332448.db2.gz YSMONUSTQPXXKE-UHFFFAOYSA-N 1 2 259.357 2.027 20 30 CEEDLO N#CC1(CC[N@H+]2CCc3nn[nH]c3C2)CCCCC1 ZINC000411624784 395332453 /nfs/dbraw/zinc/33/24/53/395332453.db2.gz YSMONUSTQPXXKE-UHFFFAOYSA-N 1 2 259.357 2.027 20 30 CEEDLO COC(=O)C[C@H]1COCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411740073 395337258 /nfs/dbraw/zinc/33/72/58/395337258.db2.gz OEBUNORDOPTLMM-AWEZNQCLSA-N 1 2 294.395 2.114 20 30 CEEDLO COC(=O)C[C@H]1COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411740073 395337262 /nfs/dbraw/zinc/33/72/62/395337262.db2.gz OEBUNORDOPTLMM-AWEZNQCLSA-N 1 2 294.395 2.114 20 30 CEEDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C#N)n1 ZINC000573349787 395606498 /nfs/dbraw/zinc/60/64/98/395606498.db2.gz KPMZYPMISYSJKZ-MRXNPFEDSA-N 1 2 280.331 2.314 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C[C@H](C)C#N)C3CC3)ccn12 ZINC000568195575 395550511 /nfs/dbraw/zinc/55/05/11/395550511.db2.gz KWNLXHBHBRFHJE-LLVKDONJSA-N 1 2 282.347 2.407 20 30 CEEDLO CO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCC2 ZINC000449632144 395558486 /nfs/dbraw/zinc/55/84/86/395558486.db2.gz MGIFZFMYCFVQBZ-VXGBXAGGSA-N 1 2 277.393 2.404 20 30 CEEDLO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(C#N)cs2)C12CCC2 ZINC000449632144 395558488 /nfs/dbraw/zinc/55/84/88/395558488.db2.gz MGIFZFMYCFVQBZ-VXGBXAGGSA-N 1 2 277.393 2.404 20 30 CEEDLO CCOCC[N@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459359814 395666017 /nfs/dbraw/zinc/66/60/17/395666017.db2.gz YCCAOIXCWVEMHN-UHFFFAOYSA-N 1 2 277.324 2.325 20 30 CEEDLO CCOCC[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459359814 395666018 /nfs/dbraw/zinc/66/60/18/395666018.db2.gz YCCAOIXCWVEMHN-UHFFFAOYSA-N 1 2 277.324 2.325 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCS1 ZINC000459335183 395666043 /nfs/dbraw/zinc/66/60/43/395666043.db2.gz HLNGJXNURNPJDB-SNVBAGLBSA-N 1 2 277.349 2.404 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCS1 ZINC000459335183 395666044 /nfs/dbraw/zinc/66/60/44/395666044.db2.gz HLNGJXNURNPJDB-SNVBAGLBSA-N 1 2 277.349 2.404 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000459444877 395666195 /nfs/dbraw/zinc/66/61/95/395666195.db2.gz MELGHMUDPRXVMF-NHYWBVRUSA-N 1 2 289.335 2.323 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000459444877 395666196 /nfs/dbraw/zinc/66/61/96/395666196.db2.gz MELGHMUDPRXVMF-NHYWBVRUSA-N 1 2 289.335 2.323 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(C#N)s1 ZINC000487589964 395667450 /nfs/dbraw/zinc/66/74/50/395667450.db2.gz WVMMICRVKBBWOO-UHFFFAOYSA-N 1 2 288.376 2.402 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)C1CC1 ZINC000491747851 395670591 /nfs/dbraw/zinc/67/05/91/395670591.db2.gz QPKRRFULGPFMRF-UHFFFAOYSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)C1CC1 ZINC000491747851 395670592 /nfs/dbraw/zinc/67/05/92/395670592.db2.gz QPKRRFULGPFMRF-UHFFFAOYSA-N 1 2 260.312 2.170 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000649281334 396111830 /nfs/dbraw/zinc/11/18/30/396111830.db2.gz RILKJJBYFGJBIZ-CABCVRRESA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000649281334 396111832 /nfs/dbraw/zinc/11/18/32/396111832.db2.gz RILKJJBYFGJBIZ-CABCVRRESA-N 1 2 265.328 2.136 20 30 CEEDLO CC(=O)N1CCC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC000336468514 400356881 /nfs/dbraw/zinc/35/68/81/400356881.db2.gz IJEUDLMXQISGKJ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO CC(=O)N1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000336468514 400356884 /nfs/dbraw/zinc/35/68/84/400356884.db2.gz IJEUDLMXQISGKJ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO N#Cc1cc(Cl)ccc1-n1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000359949464 155178174 /nfs/dbraw/zinc/17/81/74/155178174.db2.gz MERCTJFIQDZZQI-UHFFFAOYSA-N 1 2 298.737 2.154 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCC3)cc1F ZINC000192122912 153204985 /nfs/dbraw/zinc/20/49/85/153204985.db2.gz ZEBDTVJXWIPXJR-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCC3)cc1F ZINC000192122912 153204988 /nfs/dbraw/zinc/20/49/88/153204988.db2.gz ZEBDTVJXWIPXJR-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1nnc(C)c(C)c1C#N)CCC2 ZINC000371252182 156636586 /nfs/dbraw/zinc/63/65/86/156636586.db2.gz AWJQFJWVQAIXDZ-ZDUSSCGKSA-N 1 2 296.378 2.460 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2nc(C)cs2)nn1 ZINC000653615752 415056587 /nfs/dbraw/zinc/05/65/87/415056587.db2.gz XKZBIRFVUTTYPS-NSHDSACASA-N 1 2 277.397 2.470 20 30 CEEDLO C=C(C)CN(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654986509 415071103 /nfs/dbraw/zinc/07/11/03/415071103.db2.gz JNDPBDQDMLCDML-SNVBAGLBSA-N 1 2 289.301 2.491 20 30 CEEDLO C=CCCN(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000655020147 415079050 /nfs/dbraw/zinc/07/90/50/415079050.db2.gz OFFHUAYXARRFCQ-JTQLQIEISA-N 1 2 289.301 2.491 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1F)[C@@H](C)COC ZINC000661243405 415154911 /nfs/dbraw/zinc/15/49/11/415154911.db2.gz KLOZVYPYZQMUQO-LBPRGKRZSA-N 1 2 280.343 2.287 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1F)[C@@H](C)COC ZINC000661243405 415154915 /nfs/dbraw/zinc/15/49/15/415154915.db2.gz KLOZVYPYZQMUQO-LBPRGKRZSA-N 1 2 280.343 2.287 20 30 CEEDLO C=CC[N@H+](Cc1ccn(C(C)C)n1)[C@@H](C)COC ZINC000661244869 415155477 /nfs/dbraw/zinc/15/54/77/415155477.db2.gz YZBHWCVYXKPJCK-ZDUSSCGKSA-N 1 2 251.374 2.487 20 30 CEEDLO C=CC[N@@H+](Cc1ccn(C(C)C)n1)[C@@H](C)COC ZINC000661244869 415155479 /nfs/dbraw/zinc/15/54/79/415155479.db2.gz YZBHWCVYXKPJCK-ZDUSSCGKSA-N 1 2 251.374 2.487 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664006980 415120836 /nfs/dbraw/zinc/12/08/36/415120836.db2.gz MMKRCLOGNFPWEL-KGLIPLIRSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000661302893 415191237 /nfs/dbraw/zinc/19/12/37/415191237.db2.gz CYVOTPZINGAKAT-UKRRQHHQSA-N 1 2 290.411 2.397 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@@H](C)C1=O ZINC000661545008 415321669 /nfs/dbraw/zinc/32/16/69/415321669.db2.gz NLNJFFXYBSYXME-GHMZBOCLSA-N 1 2 260.312 2.354 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccccc2C)no1 ZINC000662167050 415667314 /nfs/dbraw/zinc/66/73/14/415667314.db2.gz QCUMEKDJUXJMAG-VXGBXAGGSA-N 1 2 273.336 2.243 20 30 CEEDLO C=CCCn1cc(CNc2ccc(C)[nH+]c2C)nn1 ZINC000656771382 415852289 /nfs/dbraw/zinc/85/22/89/415852289.db2.gz QFRFKIASUWECPI-UHFFFAOYSA-N 1 2 257.341 2.478 20 30 CEEDLO N#CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CCCC1 ZINC000334775069 225316721 /nfs/dbraw/zinc/31/67/21/225316721.db2.gz GPQYIRHWNOGKAN-LBPRGKRZSA-N 1 2 272.352 2.124 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)NCC(C)(C)C#N)cc2n1C ZINC000334926659 225366317 /nfs/dbraw/zinc/36/63/17/225366317.db2.gz AFOIPGGJACLBAB-UHFFFAOYSA-N 1 2 270.336 2.161 20 30 CEEDLO N#CC1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000329114696 227306762 /nfs/dbraw/zinc/30/67/62/227306762.db2.gz SKLCKTGFIRKOEI-UHFFFAOYSA-N 1 2 299.374 2.270 20 30 CEEDLO CSC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC000329272108 227399262 /nfs/dbraw/zinc/39/92/62/227399262.db2.gz ILIREVZJFDCZCA-UHFFFAOYSA-N 1 2 283.397 2.211 20 30 CEEDLO CSC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC000329272108 227399269 /nfs/dbraw/zinc/39/92/69/227399269.db2.gz ILIREVZJFDCZCA-UHFFFAOYSA-N 1 2 283.397 2.211 20 30 CEEDLO [O-]C(=[NH+]CCc1ccncc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330019180 228017774 /nfs/dbraw/zinc/01/77/74/228017774.db2.gz URAURFZQOXRFLI-UHFFFAOYSA-N 1 2 299.378 2.141 20 30 CEEDLO C[C@H](N(C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1(C)CC1 ZINC000330276009 228089840 /nfs/dbraw/zinc/08/98/40/228089840.db2.gz MHKFKFAFBZSQKR-RYUDHWBXSA-N 1 2 276.384 2.232 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000333678017 228209891 /nfs/dbraw/zinc/20/98/91/228209891.db2.gz ZHPKSFQPVYBRMR-IMJJTQAJSA-N 1 2 283.375 2.464 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1ccc2[nH]c(CCCC)[nH+]c2c1 ZINC000667371040 419650279 /nfs/dbraw/zinc/65/02/79/419650279.db2.gz SWBDWCDFQZKJQQ-ZDUSSCGKSA-N 1 2 273.336 2.391 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000298890655 260168859 /nfs/dbraw/zinc/16/88/59/260168859.db2.gz VZWGJRNTMMTPQZ-NXEZZACHSA-N 1 2 268.307 2.306 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC(C)(C)CCC#N ZINC000358718812 260677652 /nfs/dbraw/zinc/67/76/52/260677652.db2.gz YOVLOYBHZNIUKN-UHFFFAOYSA-N 1 2 291.399 2.245 20 30 CEEDLO COCCC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCC1 ZINC000155035558 261097261 /nfs/dbraw/zinc/09/72/61/261097261.db2.gz HBCLSEUMYZFWRY-CXUHLZMHSA-N 1 2 279.336 2.429 20 30 CEEDLO COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(C#N)CC1 ZINC000162891815 261298167 /nfs/dbraw/zinc/29/81/67/261298167.db2.gz HXVAGKKIQQWKRG-HNNXBMFYSA-N 1 2 272.348 2.445 20 30 CEEDLO COc1cc(C[NH+]2CCC(C#N)CC2)c([N+](=O)[O-])cc1F ZINC000184258005 262013894 /nfs/dbraw/zinc/01/38/94/262013894.db2.gz IVKGJBMLANHIBJ-UHFFFAOYSA-N 1 2 293.298 2.478 20 30 CEEDLO NC(COc1ccccc1F)=[NH+]OC1CCCC1 ZINC000186864881 262113626 /nfs/dbraw/zinc/11/36/26/262113626.db2.gz XVWKQDKNKWRCAV-UHFFFAOYSA-N 1 2 252.289 2.436 20 30 CEEDLO CC1(C#N)CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000272546286 263006197 /nfs/dbraw/zinc/00/61/97/263006197.db2.gz SMDTZBAXHCJHPM-UHFFFAOYSA-N 1 2 271.368 2.429 20 30 CEEDLO CC1(C#N)CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000272546286 263006198 /nfs/dbraw/zinc/00/61/98/263006198.db2.gz SMDTZBAXHCJHPM-UHFFFAOYSA-N 1 2 271.368 2.429 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCCC#N ZINC000273115227 263012884 /nfs/dbraw/zinc/01/28/84/263012884.db2.gz GUDUJFIBPBJFJF-UHFFFAOYSA-N 1 2 299.378 2.338 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCc1[nH+]ccn1C ZINC000273484643 263017401 /nfs/dbraw/zinc/01/74/01/263017401.db2.gz LXVOIZSHQPJAEJ-GFCCVEGCSA-N 1 2 280.372 2.008 20 30 CEEDLO CC1(C)CCCN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H]1C#N ZINC000277802969 263043521 /nfs/dbraw/zinc/04/35/21/263043521.db2.gz GNHQLRGHLPVNET-CYBMUJFWSA-N 1 2 282.347 2.489 20 30 CEEDLO NC(=[NH+]OC1CCC1)c1ccc(N2CCCCC2)nc1 ZINC000278773872 263051065 /nfs/dbraw/zinc/05/10/65/263051065.db2.gz VBFHUXCZELPZBY-UHFFFAOYSA-N 1 2 274.368 2.261 20 30 CEEDLO CC[C@H](CC#N)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281138183 263066901 /nfs/dbraw/zinc/06/69/01/263066901.db2.gz ZASAWIATOSGJRE-SNVBAGLBSA-N 1 2 257.297 2.148 20 30 CEEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000282887925 263079489 /nfs/dbraw/zinc/07/94/89/263079489.db2.gz XLSJMOYKSJGGBV-LBPRGKRZSA-N 1 2 283.379 2.476 20 30 CEEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000282887925 263079490 /nfs/dbraw/zinc/07/94/90/263079490.db2.gz XLSJMOYKSJGGBV-LBPRGKRZSA-N 1 2 283.379 2.476 20 30 CEEDLO NC(=[NH+]OCc1cc(-c2ccccc2)no1)[C@H]1CCCO1 ZINC000283939626 263084943 /nfs/dbraw/zinc/08/49/43/263084943.db2.gz FIVFXEVLFVZXHR-CQSZACIVSA-N 1 2 287.319 2.309 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCOC[C@@H]2C)c1O ZINC000285382687 263092500 /nfs/dbraw/zinc/09/25/00/263092500.db2.gz OUAQNHKMBOTMCP-STQKSKDHSA-N 1 2 263.337 2.492 20 30 CEEDLO C[C@@H](O)c1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000290367041 263116335 /nfs/dbraw/zinc/11/63/35/263116335.db2.gz NCZKYLKLGBURFF-SNVBAGLBSA-N 1 2 265.382 2.322 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000292127054 263128760 /nfs/dbraw/zinc/12/87/60/263128760.db2.gz IJKHBSMWXMVLER-AWEZNQCLSA-N 1 2 299.374 2.309 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000292127054 263128761 /nfs/dbraw/zinc/12/87/61/263128761.db2.gz IJKHBSMWXMVLER-AWEZNQCLSA-N 1 2 299.374 2.309 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1C(=O)OC ZINC000292302974 263130762 /nfs/dbraw/zinc/13/07/62/263130762.db2.gz UYBYTAXIPDQHHW-UHFFFAOYSA-N 1 2 288.347 2.254 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1C(=O)OC ZINC000292302974 263130763 /nfs/dbraw/zinc/13/07/63/263130763.db2.gz UYBYTAXIPDQHHW-UHFFFAOYSA-N 1 2 288.347 2.254 20 30 CEEDLO N#C[C@@H]1CC[C@H](N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000293445125 263140555 /nfs/dbraw/zinc/14/05/55/263140555.db2.gz KFPGHLTUKOPNPU-KGLIPLIRSA-N 1 2 259.353 2.089 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000294894691 263169019 /nfs/dbraw/zinc/16/90/19/263169019.db2.gz JBVBFJAVIJNSPI-INIZCTEOSA-N 1 2 286.379 2.206 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000295246953 263175179 /nfs/dbraw/zinc/17/51/79/263175179.db2.gz FIXMGKWCGMYQAA-INIZCTEOSA-N 1 2 285.347 2.180 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CCCC(C)C)c1O ZINC000298276204 263216935 /nfs/dbraw/zinc/21/69/35/263216935.db2.gz AGFSOKTVZJVUPI-OVCLIPMQSA-N 1 2 250.342 2.443 20 30 CEEDLO C=C(Cl)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164348296 263287673 /nfs/dbraw/zinc/28/76/73/263287673.db2.gz CIAIJEWRKKXRMO-NSHDSACASA-N 1 2 289.759 2.386 20 30 CEEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341692386 263346149 /nfs/dbraw/zinc/34/61/49/263346149.db2.gz RAXMFMAKDBDUGQ-AWEZNQCLSA-N 1 2 259.353 2.181 20 30 CEEDLO C=C1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000342019009 263379474 /nfs/dbraw/zinc/37/94/74/263379474.db2.gz YTYVEIUXVVHDMM-UHFFFAOYSA-N 1 2 280.318 2.233 20 30 CEEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000341986953 263380937 /nfs/dbraw/zinc/38/09/37/263380937.db2.gz GPDGPUQKFQNTES-LLVKDONJSA-N 1 2 290.367 2.260 20 30 CEEDLO C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330370772 263915888 /nfs/dbraw/zinc/91/58/88/263915888.db2.gz GKONUSDDMGBHTE-SECBINFHSA-N 1 2 290.289 2.201 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000330778971 264035775 /nfs/dbraw/zinc/03/57/75/264035775.db2.gz LXOSHEJGIBFLQL-UHFFFAOYSA-N 1 2 282.347 2.122 20 30 CEEDLO CC(C)[C@H](C)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330823810 264047533 /nfs/dbraw/zinc/04/75/33/264047533.db2.gz QKLZUSWYNVVBPO-GFCCVEGCSA-N 1 2 278.400 2.443 20 30 CEEDLO CC[C@H](C)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000330933615 264097270 /nfs/dbraw/zinc/09/72/70/264097270.db2.gz DTGPOPZWUGKYJQ-QWRGUYRKSA-N 1 2 252.362 2.248 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)[C@H](C)CO)cc2n1C ZINC000331066557 264112286 /nfs/dbraw/zinc/11/22/86/264112286.db2.gz QFQIDYHDZVPGCO-NXEZZACHSA-N 1 2 275.352 2.203 20 30 CEEDLO CC[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)c1[nH]cc[nH+]1 ZINC000331090233 264133205 /nfs/dbraw/zinc/13/32/05/264133205.db2.gz HEGXEVPKMSSUDL-SECBINFHSA-N 1 2 276.344 2.212 20 30 CEEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000076669121 264340237 /nfs/dbraw/zinc/34/02/37/264340237.db2.gz OAKAAXAGBBNMRZ-ZDUSSCGKSA-N 1 2 277.755 2.117 20 30 CEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000076669121 264340239 /nfs/dbraw/zinc/34/02/39/264340239.db2.gz OAKAAXAGBBNMRZ-ZDUSSCGKSA-N 1 2 277.755 2.117 20 30 CEEDLO Cc1occc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000055057711 264350030 /nfs/dbraw/zinc/35/00/30/264350030.db2.gz PIDSKUOBTSIEEL-OAHLLOKOSA-N 1 2 277.368 2.074 20 30 CEEDLO Cc1occc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000055057711 264350032 /nfs/dbraw/zinc/35/00/32/264350032.db2.gz PIDSKUOBTSIEEL-OAHLLOKOSA-N 1 2 277.368 2.074 20 30 CEEDLO C[C@H]1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C[C@@H](C)C1 ZINC000519409002 265426305 /nfs/dbraw/zinc/42/63/05/265426305.db2.gz QAYAYACJZWTZEB-JLNYLFASSA-N 1 2 265.401 2.019 20 30 CEEDLO CC[C@@H](C#N)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000355978623 266052481 /nfs/dbraw/zinc/05/24/81/266052481.db2.gz APVGZTDYOYIZRI-LBPRGKRZSA-N 1 2 270.336 2.153 20 30 CEEDLO CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C[C@H](C)C#N ZINC000356477734 266122491 /nfs/dbraw/zinc/12/24/91/266122491.db2.gz PHIHPUQDGLGYPU-MCIONIFRSA-N 1 2 265.401 2.257 20 30 CEEDLO CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C[C@H](C)C#N ZINC000356477734 266122495 /nfs/dbraw/zinc/12/24/95/266122495.db2.gz PHIHPUQDGLGYPU-MCIONIFRSA-N 1 2 265.401 2.257 20 30 CEEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](O)C(F)(F)F ZINC000189544199 266136634 /nfs/dbraw/zinc/13/66/34/266136634.db2.gz PWDLYBFYAFUYPV-LBPRGKRZSA-N 1 2 290.260 2.442 20 30 CEEDLO CC[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)C(F)(F)F ZINC000189544199 266136637 /nfs/dbraw/zinc/13/66/37/266136637.db2.gz PWDLYBFYAFUYPV-LBPRGKRZSA-N 1 2 290.260 2.442 20 30 CEEDLO C=C(C)CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356915476 266210879 /nfs/dbraw/zinc/21/08/79/266210879.db2.gz KGZGAVIXJMRMLW-NSHDSACASA-N 1 2 261.369 2.330 20 30 CEEDLO C=C(C)CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356915476 266210881 /nfs/dbraw/zinc/21/08/81/266210881.db2.gz KGZGAVIXJMRMLW-NSHDSACASA-N 1 2 261.369 2.330 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OC ZINC000361114556 266787063 /nfs/dbraw/zinc/78/70/63/266787063.db2.gz SUYIGXLJCOHCTM-TZMCWYRMSA-N 1 2 269.385 2.289 20 30 CEEDLO CCN(C)c1ccc(CNc2n[nH]c(C3CC3)c2C#N)c[nH+]1 ZINC000419767566 267052797 /nfs/dbraw/zinc/05/27/97/267052797.db2.gz AWRZBFOLZCFXMT-UHFFFAOYSA-N 1 2 296.378 2.044 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COc1ccccc1C#N ZINC000456362507 267257677 /nfs/dbraw/zinc/25/76/77/267257677.db2.gz WSJAZYUFTNBIAA-GFCCVEGCSA-N 1 2 298.346 2.031 20 30 CEEDLO O=C1OCC[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)[C@@H]12 ZINC000369975666 267280640 /nfs/dbraw/zinc/28/06/40/267280640.db2.gz SXQAJIUJWLDBSY-UKRRQHHQSA-N 1 2 289.762 2.329 20 30 CEEDLO O=C1OCC[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)[C@@H]12 ZINC000369975666 267280642 /nfs/dbraw/zinc/28/06/42/267280642.db2.gz SXQAJIUJWLDBSY-UKRRQHHQSA-N 1 2 289.762 2.329 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000370656173 267335538 /nfs/dbraw/zinc/33/55/38/267335538.db2.gz BLCILGHUZPPJLD-GFCCVEGCSA-N 1 2 292.408 2.042 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000370656173 267335541 /nfs/dbraw/zinc/33/55/41/267335541.db2.gz BLCILGHUZPPJLD-GFCCVEGCSA-N 1 2 292.408 2.042 20 30 CEEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488174793 267356208 /nfs/dbraw/zinc/35/62/08/267356208.db2.gz IISBFMIZFGABGM-UHFFFAOYSA-N 1 2 260.337 2.250 20 30 CEEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488174793 267356210 /nfs/dbraw/zinc/35/62/10/267356210.db2.gz IISBFMIZFGABGM-UHFFFAOYSA-N 1 2 260.337 2.250 20 30 CEEDLO N#CC1(C[NH2+]Cc2cccc3c2OCCO3)CCC1 ZINC000418143490 267365333 /nfs/dbraw/zinc/36/53/33/267365333.db2.gz PRWYBGLAPMTIDB-UHFFFAOYSA-N 1 2 258.321 2.241 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000371197242 267369422 /nfs/dbraw/zinc/36/94/22/267369422.db2.gz WECYBZKJSJQXQV-GDBMZVCRSA-N 1 2 285.391 2.269 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000371197242 267369427 /nfs/dbraw/zinc/36/94/27/267369427.db2.gz WECYBZKJSJQXQV-GDBMZVCRSA-N 1 2 285.391 2.269 20 30 CEEDLO Cc1ccc(NCCc2[nH+]cccc2C)nc1C#N ZINC000450739503 268026234 /nfs/dbraw/zinc/02/62/34/268026234.db2.gz QWLPLOFIVIRKEY-UHFFFAOYSA-N 1 2 252.321 2.042 20 30 CEEDLO Cc1cn2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2[nH+]1 ZINC000442655579 268070322 /nfs/dbraw/zinc/07/03/22/268070322.db2.gz SVINIXVTODCSBY-UHFFFAOYSA-N 1 2 292.298 2.472 20 30 CEEDLO Cc1noc([C@H](C)[N@H+](C)CCOc2ccccc2C#N)n1 ZINC000519728460 268100094 /nfs/dbraw/zinc/10/00/94/268100094.db2.gz NXVSZMURZYJVTQ-NSHDSACASA-N 1 2 286.335 2.322 20 30 CEEDLO Cc1noc([C@H](C)[N@@H+](C)CCOc2ccccc2C#N)n1 ZINC000519728460 268100095 /nfs/dbraw/zinc/10/00/95/268100095.db2.gz NXVSZMURZYJVTQ-NSHDSACASA-N 1 2 286.335 2.322 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000459463886 268289501 /nfs/dbraw/zinc/28/95/01/268289501.db2.gz VWBMPQDMOZIZQD-HNNXBMFYSA-N 1 2 287.319 2.221 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@]12CCOC2 ZINC000459463886 268289502 /nfs/dbraw/zinc/28/95/02/268289502.db2.gz VWBMPQDMOZIZQD-HNNXBMFYSA-N 1 2 287.319 2.221 20 30 CEEDLO COc1ccc(OC)c(CCNc2cc(C)[nH+]cc2C#N)c1 ZINC000425214104 271140882 /nfs/dbraw/zinc/14/08/82/271140882.db2.gz IMJRRXSOTPSRHM-UHFFFAOYSA-N 1 2 297.358 2.355 20 30 CEEDLO Cc1cc(N2CCN(CC(F)(F)F)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425243413 271145375 /nfs/dbraw/zinc/14/53/75/271145375.db2.gz FLOIQXYLAYZGIE-LLVKDONJSA-N 1 2 298.312 2.335 20 30 CEEDLO COCC[N@H+](Cc1ccc(C#N)s1)Cc1ccnn1C ZINC000426495081 271221321 /nfs/dbraw/zinc/22/13/21/271221321.db2.gz DOUZUBVREUWLSU-UHFFFAOYSA-N 1 2 290.392 2.002 20 30 CEEDLO COCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccnn1C ZINC000426495081 271221324 /nfs/dbraw/zinc/22/13/24/271221324.db2.gz DOUZUBVREUWLSU-UHFFFAOYSA-N 1 2 290.392 2.002 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NCCc1cccc(C#N)c1 ZINC000439430687 271744789 /nfs/dbraw/zinc/74/47/89/271744789.db2.gz JWRVVDIGQOJMMG-UHFFFAOYSA-N 1 2 280.331 2.048 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC1)C2 ZINC000329276373 277270495 /nfs/dbraw/zinc/27/04/95/277270495.db2.gz LDFGEXCXPDIJMX-NSHDSACASA-N 1 2 276.384 2.115 20 30 CEEDLO CC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329753142 278250726 /nfs/dbraw/zinc/25/07/26/278250726.db2.gz WNYKWTSAQHLATH-LLVKDONJSA-N 1 2 276.384 2.303 20 30 CEEDLO CC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329753142 278250730 /nfs/dbraw/zinc/25/07/30/278250730.db2.gz WNYKWTSAQHLATH-LLVKDONJSA-N 1 2 276.384 2.303 20 30 CEEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)O1 ZINC000329969467 278271987 /nfs/dbraw/zinc/27/19/87/278271987.db2.gz WNURHWXSLIXCFP-WDEREUQCSA-N 1 2 263.341 2.112 20 30 CEEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185196364 279291760 /nfs/dbraw/zinc/29/17/60/279291760.db2.gz KDZHKLCUGTYDRN-MRXNPFEDSA-N 1 2 291.778 2.183 20 30 CEEDLO Clc1ccc(C#CC[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185196364 279291761 /nfs/dbraw/zinc/29/17/61/279291761.db2.gz KDZHKLCUGTYDRN-MRXNPFEDSA-N 1 2 291.778 2.183 20 30 CEEDLO Cc1cc(N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c(C#N)c[nH+]1 ZINC000333415784 280546568 /nfs/dbraw/zinc/54/65/68/280546568.db2.gz IAWFNNYHSGLCSH-HNNXBMFYSA-N 1 2 298.390 2.003 20 30 CEEDLO 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287.407 2.449 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000560412565 327306094 /nfs/dbraw/zinc/30/60/94/327306094.db2.gz LTJNHNQIEDUTSV-OAHLLOKOSA-N 1 2 291.420 2.332 20 30 CEEDLO C=CC[C@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000427461077 327380610 /nfs/dbraw/zinc/38/06/10/327380610.db2.gz XAGLRXIXYBSNNH-AWEZNQCLSA-N 1 2 255.321 2.386 20 30 CEEDLO C=CC[C@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000427461077 327380612 /nfs/dbraw/zinc/38/06/12/327380612.db2.gz XAGLRXIXYBSNNH-AWEZNQCLSA-N 1 2 255.321 2.386 20 30 CEEDLO N#CCCN(C/C=C\c1ccccc1)CC[NH+]1CCOCC1 ZINC000357960999 328880516 /nfs/dbraw/zinc/88/05/16/328880516.db2.gz MMQHWSYZEXYVCN-YWEYNIOJSA-N 1 2 299.418 2.248 20 30 CEEDLO C#Cc1cccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377740182 329027744 /nfs/dbraw/zinc/02/77/44/329027744.db2.gz SWSNCKXASWZCMU-ZDUSSCGKSA-N 1 2 280.331 2.070 20 30 CEEDLO C#Cc1cccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377740182 329027745 /nfs/dbraw/zinc/02/77/45/329027745.db2.gz SWSNCKXASWZCMU-ZDUSSCGKSA-N 1 2 280.331 2.070 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CCC[C@@H]1c1[nH+]ccn1C)OCC ZINC000378550602 329054717 /nfs/dbraw/zinc/05/47/17/329054717.db2.gz ZEGPBBIRAVNRIT-KGLIPLIRSA-N 1 2 291.395 2.455 20 30 CEEDLO C=C(C)COCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000178222161 329194690 /nfs/dbraw/zinc/19/46/90/329194690.db2.gz LXQVGLZFOYKBGO-UHFFFAOYSA-N 1 2 263.341 2.413 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CC(C(C)(C)C)C1 ZINC000514675294 329359014 /nfs/dbraw/zinc/35/90/14/329359014.db2.gz FYJPBTUWLQADDW-KOHJWAIASA-N 1 2 265.401 2.019 20 30 CEEDLO C=CCCC[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000189865386 329388626 /nfs/dbraw/zinc/38/86/26/329388626.db2.gz KKBWHDIOFKCZSG-IUODEOHRSA-N 1 2 269.385 2.289 20 30 CEEDLO C#CCCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000192174782 329430283 /nfs/dbraw/zinc/43/02/83/329430283.db2.gz OCTLRGHAARRMQG-CQSZACIVSA-N 1 2 273.380 2.005 20 30 CEEDLO COC1(C(F)(F)F)CC[NH+](CC2(C#N)CC2)CC1 ZINC000419357551 329719862 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CC(C)Cn1cc[nH+]c1CNC(=O)NCC1(CC#N)CC1 ZINC000430871561 330575897 /nfs/dbraw/zinc/57/58/97/330575897.db2.gz ZJRSJJLMQUNSDC-UHFFFAOYSA-N 1 2 289.383 2.032 20 30 CEEDLO CN(C)c1nc(NCC2(CC#N)CC2)[nH+]c2ccccc21 ZINC000450497083 330983686 /nfs/dbraw/zinc/98/36/86/330983686.db2.gz BWZPWOWLHACKJH-UHFFFAOYSA-N 1 2 281.363 2.223 20 30 CEEDLO O=C1N=NC([C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC000450904804 331006213 /nfs/dbraw/zinc/00/62/13/331006213.db2.gz NFCYISOQYUMWNJ-CQSZACIVSA-N 1 2 283.331 2.006 20 30 CEEDLO O=C1N=NC([C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC000450904804 331006214 /nfs/dbraw/zinc/00/62/14/331006214.db2.gz NFCYISOQYUMWNJ-CQSZACIVSA-N 1 2 283.331 2.006 20 30 CEEDLO O=c1[nH]nc([C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC000450904804 331006215 /nfs/dbraw/zinc/00/62/15/331006215.db2.gz NFCYISOQYUMWNJ-CQSZACIVSA-N 1 2 283.331 2.006 20 30 CEEDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC000450904804 331006216 /nfs/dbraw/zinc/00/62/16/331006216.db2.gz NFCYISOQYUMWNJ-CQSZACIVSA-N 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SYCDSUZSSFDDAJ-LLVKDONJSA-N 1 2 264.373 2.475 20 30 CEEDLO C=CCCCN(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455493108 331170985 /nfs/dbraw/zinc/17/09/85/331170985.db2.gz ZHLMGQUNJQXFKP-NEPJUHHUSA-N 1 2 262.357 2.497 20 30 CEEDLO CN(CC(C)(C)C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000457600406 331228604 /nfs/dbraw/zinc/22/86/04/331228604.db2.gz QICQMFGVFLGDBD-UHFFFAOYSA-N 1 2 299.378 2.068 20 30 CEEDLO CN(CC(C)(C)C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000457777726 331234139 /nfs/dbraw/zinc/23/41/39/331234139.db2.gz OMFXCWZVODULST-UHFFFAOYSA-N 1 2 289.383 2.075 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000458989334 331264391 /nfs/dbraw/zinc/26/43/91/331264391.db2.gz BBCNCLPJSAOKSI-UHFFFAOYSA-N 1 2 262.357 2.265 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000458989334 331264392 /nfs/dbraw/zinc/26/43/92/331264392.db2.gz BBCNCLPJSAOKSI-UHFFFAOYSA-N 1 2 262.357 2.265 20 30 CEEDLO CC(C)(CC#N)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459254665 331273346 /nfs/dbraw/zinc/27/33/46/331273346.db2.gz FUICMVZCHKNBHF-GFCCVEGCSA-N 1 2 289.383 2.239 20 30 CEEDLO N#CCC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)CC1CC1 ZINC000459352489 331277697 /nfs/dbraw/zinc/27/76/97/331277697.db2.gz HNJKNMHNZKKCQC-UHFFFAOYSA-N 1 2 272.352 2.185 20 30 CEEDLO N#CCC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)CC1CC1 ZINC000459352489 331277698 /nfs/dbraw/zinc/27/76/98/331277698.db2.gz HNJKNMHNZKKCQC-UHFFFAOYSA-N 1 2 272.352 2.185 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000488888672 332032412 /nfs/dbraw/zinc/03/24/12/332032412.db2.gz IZVKZVCXCPJNQO-LLVKDONJSA-N 1 2 258.325 2.278 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000489451938 332053584 /nfs/dbraw/zinc/05/35/84/332053584.db2.gz VDXQENAIXBEWAE-WDEREUQCSA-N 1 2 276.302 2.190 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000489451938 332053585 /nfs/dbraw/zinc/05/35/85/332053585.db2.gz VDXQENAIXBEWAE-WDEREUQCSA-N 1 2 276.302 2.190 20 30 CEEDLO C#C[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C(C)C ZINC000491326596 332190599 /nfs/dbraw/zinc/19/05/99/332190599.db2.gz OKDIVHOKYSFXQL-AWEZNQCLSA-N 1 2 297.362 2.106 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(CCC)c2)n1 ZINC000491360084 332196510 /nfs/dbraw/zinc/19/65/10/332196510.db2.gz DABNVJBBTOGCDA-UHFFFAOYSA-N 1 2 285.395 2.145 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(CCC)c2)n1 ZINC000491360084 332196511 /nfs/dbraw/zinc/19/65/11/332196511.db2.gz DABNVJBBTOGCDA-UHFFFAOYSA-N 1 2 285.395 2.145 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cnc(C)nc1)c1ccc(F)cc1 ZINC000491474776 332218373 /nfs/dbraw/zinc/21/83/73/332218373.db2.gz PWLDSRAZAUCCIE-OAHLLOKOSA-N 1 2 255.296 2.388 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)C(C)C ZINC000491654301 332266701 /nfs/dbraw/zinc/26/67/01/332266701.db2.gz FXLNMCWCIFXEEW-AWEZNQCLSA-N 1 2 259.353 2.155 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000491705083 332298244 /nfs/dbraw/zinc/29/82/44/332298244.db2.gz ILYVTLWGKOOASZ-YOEHRIQHSA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000491705083 332298245 /nfs/dbraw/zinc/29/82/45/332298245.db2.gz ILYVTLWGKOOASZ-YOEHRIQHSA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@H](CCC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491713204 332304334 /nfs/dbraw/zinc/30/43/34/332304334.db2.gz ZAOYUXRHVNFBDG-CQSZACIVSA-N 1 2 267.332 2.404 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000491740430 332319549 /nfs/dbraw/zinc/31/95/49/332319549.db2.gz VASRQQGZKOANRX-NSHDSACASA-N 1 2 290.754 2.199 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000491765808 332334196 /nfs/dbraw/zinc/33/41/96/332334196.db2.gz FQDCBHQXLTXJOA-HNNXBMFYSA-N 1 2 296.374 2.473 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000491776591 332342058 /nfs/dbraw/zinc/34/20/58/332342058.db2.gz YKAFXXGNNKODEW-SNVBAGLBSA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000491776591 332342059 /nfs/dbraw/zinc/34/20/59/332342059.db2.gz YKAFXXGNNKODEW-SNVBAGLBSA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000491778456 332343643 /nfs/dbraw/zinc/34/36/43/332343643.db2.gz JBFHTUWAALXDPN-SECBINFHSA-N 1 2 275.739 2.442 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000491778456 332343645 /nfs/dbraw/zinc/34/36/45/332343645.db2.gz JBFHTUWAALXDPN-SECBINFHSA-N 1 2 275.739 2.442 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000491783917 332347400 /nfs/dbraw/zinc/34/74/00/332347400.db2.gz OKQGLRLUBBNVCD-VIFPVBQESA-N 1 2 291.351 2.327 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000491783917 332347402 /nfs/dbraw/zinc/34/74/02/332347402.db2.gz OKQGLRLUBBNVCD-VIFPVBQESA-N 1 2 291.351 2.327 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491800936 332355493 /nfs/dbraw/zinc/35/54/93/332355493.db2.gz BHKDXZQMGYBZGV-CQSZACIVSA-N 1 2 259.353 2.300 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/C1CCCCC1 ZINC000493578193 332445675 /nfs/dbraw/zinc/44/56/75/332445675.db2.gz GIPQAJVPSLELFD-FEAKQIBJSA-N 1 2 263.385 2.083 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493790752 332454303 /nfs/dbraw/zinc/45/43/03/332454303.db2.gz YRDSUPVWWJOHES-KSEDQGMOSA-N 1 2 258.325 2.012 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493854486 332456558 /nfs/dbraw/zinc/45/65/58/332456558.db2.gz LXRAKEJSLOPXJP-LZNQSLFOSA-N 1 2 280.331 2.366 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000505221052 332734099 /nfs/dbraw/zinc/73/40/99/332734099.db2.gz XHDKTKGDELQWNC-KRWDZBQOSA-N 1 2 296.374 2.487 20 30 CEEDLO N#C[C@H]1[N@H+](CCC2(O)CCC2)CCC[C@@]12CCCCO2 ZINC000517085968 333092369 /nfs/dbraw/zinc/09/23/69/333092369.db2.gz RMCXNUMHUBEBGK-ZBFHGGJFSA-N 1 2 278.396 2.219 20 30 CEEDLO N#C[C@H]1[N@@H+](CCC2(O)CCC2)CCC[C@@]12CCCCO2 ZINC000517085968 333092371 /nfs/dbraw/zinc/09/23/71/333092371.db2.gz RMCXNUMHUBEBGK-ZBFHGGJFSA-N 1 2 278.396 2.219 20 30 CEEDLO CCOc1nnc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000543811433 333901619 /nfs/dbraw/zinc/90/16/19/333901619.db2.gz RKRDKCQQGGURHF-UHFFFAOYSA-N 1 2 266.370 2.062 20 30 CEEDLO COc1cc2c(cc1C[NH2+]C[C@H](C)C#N)O[C@H](C)C2 ZINC000134865102 334106213 /nfs/dbraw/zinc/10/62/13/334106213.db2.gz MHBHJROOJVKRGU-GHMZBOCLSA-N 1 2 260.337 2.268 20 30 CEEDLO CC[C@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000564334168 334128765 /nfs/dbraw/zinc/12/87/65/334128765.db2.gz HQEZRAOGCWZICT-UMVBOHGHSA-N 1 2 265.401 2.163 20 30 CEEDLO C=CCOCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000549343553 334190532 /nfs/dbraw/zinc/19/05/32/334190532.db2.gz XVXFESINMMUBRL-UHFFFAOYSA-N 1 2 266.410 2.068 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000550128438 334213883 /nfs/dbraw/zinc/21/38/83/334213883.db2.gz DBTZTFXIOFFFAR-UHFFFAOYSA-N 1 2 286.419 2.226 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000550128438 334213884 /nfs/dbraw/zinc/21/38/84/334213884.db2.gz DBTZTFXIOFFFAR-UHFFFAOYSA-N 1 2 286.419 2.226 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000566428526 334648126 /nfs/dbraw/zinc/64/81/26/334648126.db2.gz HRYUOLNQDZGLAF-NEPJUHHUSA-N 1 2 288.376 2.007 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000577230764 335327158 /nfs/dbraw/zinc/32/71/58/335327158.db2.gz YHDDEEKUUQPTCV-ZWNOBZJWSA-N 1 2 293.317 2.352 20 30 CEEDLO CCn1c2ccccc2nc1C[NH2+]CC1(C#N)CC1 ZINC000577576549 335372050 /nfs/dbraw/zinc/37/20/50/335372050.db2.gz SRKSWVDNNDQPOP-UHFFFAOYSA-N 1 2 254.337 2.450 20 30 CEEDLO Cc1[nH+]cccc1Cc1noc(C2(C#N)CCC2)n1 ZINC000351237366 335585947 /nfs/dbraw/zinc/58/59/47/335585947.db2.gz RCVWWNRZLRGMBE-UHFFFAOYSA-N 1 2 254.293 2.309 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183834323 335909274 /nfs/dbraw/zinc/90/92/74/335909274.db2.gz OGZDHATUKJOJOI-QMMMGPOBSA-N 1 2 285.250 2.445 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874903407 649866177 /nfs/dbraw/zinc/86/61/77/649866177.db2.gz IMXHSJOBVZAHIC-GHMZBOCLSA-N 1 2 284.294 2.471 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874903407 649866178 /nfs/dbraw/zinc/86/61/78/649866178.db2.gz IMXHSJOBVZAHIC-GHMZBOCLSA-N 1 2 284.294 2.471 20 30 CEEDLO N#Cc1cnc(NCc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000355370743 501032563 /nfs/dbraw/zinc/03/25/63/501032563.db2.gz CMZOVNOLBCJFHT-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000049573399 520768020 /nfs/dbraw/zinc/76/80/20/520768020.db2.gz YSWLPQZSGSUMIF-UHFFFAOYSA-N 1 2 258.321 2.086 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000049573399 520768025 /nfs/dbraw/zinc/76/80/25/520768025.db2.gz YSWLPQZSGSUMIF-UHFFFAOYSA-N 1 2 258.321 2.086 20 30 CEEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1Cl ZINC000062791084 524630528 /nfs/dbraw/zinc/63/05/28/524630528.db2.gz CIAVMGXHPSEMSZ-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)/C=C/c1ccccc1C#N)CC2 ZINC000363723587 525924591 /nfs/dbraw/zinc/92/45/91/525924591.db2.gz ZCKYAJQKNUPMPY-VOTSOKGWSA-N 1 2 292.342 2.119 20 30 CEEDLO Cc1n[nH]c(C2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC000365118367 526782707 /nfs/dbraw/zinc/78/27/07/526782707.db2.gz QSCGVPILWIDRAX-UHFFFAOYSA-N 1 2 281.363 2.364 20 30 CEEDLO Cc1nc(C2CC[NH+](Cc3ccccc3C#N)CC2)n[nH]1 ZINC000365118367 526782712 /nfs/dbraw/zinc/78/27/12/526782712.db2.gz QSCGVPILWIDRAX-UHFFFAOYSA-N 1 2 281.363 2.364 20 30 CEEDLO Cc1nnc(C2CC[NH+](Cc3ccccc3C#N)CC2)[nH]1 ZINC000365118367 526782717 /nfs/dbraw/zinc/78/27/17/526782717.db2.gz QSCGVPILWIDRAX-UHFFFAOYSA-N 1 2 281.363 2.364 20 30 CEEDLO C=C(CC)C[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@@H](C)O ZINC000351958496 526850926 /nfs/dbraw/zinc/85/09/26/526850926.db2.gz NKDJGANRLNDPAE-GDBMZVCRSA-N 1 2 291.391 2.377 20 30 CEEDLO C=C(CC)C[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@@H](C)O ZINC000351958496 526850931 /nfs/dbraw/zinc/85/09/31/526850931.db2.gz NKDJGANRLNDPAE-GDBMZVCRSA-N 1 2 291.391 2.377 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)ccc1C ZINC000730095560 574501153 /nfs/dbraw/zinc/50/11/53/574501153.db2.gz LUPSTQIDXZFOKT-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)ccc1C ZINC000730095560 574501155 /nfs/dbraw/zinc/50/11/55/574501155.db2.gz LUPSTQIDXZFOKT-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SC)cc1 ZINC000730095664 574501338 /nfs/dbraw/zinc/50/13/38/574501338.db2.gz FFGWUNKCEMXOKA-AWEZNQCLSA-N 1 2 274.389 2.445 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SC)cc1 ZINC000730095664 574501340 /nfs/dbraw/zinc/50/13/40/574501340.db2.gz FFGWUNKCEMXOKA-AWEZNQCLSA-N 1 2 274.389 2.445 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000730095920 574501443 /nfs/dbraw/zinc/50/14/43/574501443.db2.gz LVYBWCRIYSGULF-INIZCTEOSA-N 1 2 268.360 2.211 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000730095920 574501444 /nfs/dbraw/zinc/50/14/44/574501444.db2.gz LVYBWCRIYSGULF-INIZCTEOSA-N 1 2 268.360 2.211 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(C(C)C)cs1 ZINC000730274798 574513029 /nfs/dbraw/zinc/51/30/29/574513029.db2.gz PCGZQGHTRMDFAE-LBPRGKRZSA-N 1 2 277.393 2.303 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(C(C)C)cs1 ZINC000730274798 574513030 /nfs/dbraw/zinc/51/30/30/574513030.db2.gz PCGZQGHTRMDFAE-LBPRGKRZSA-N 1 2 277.393 2.303 20 30 CEEDLO CCOc1ccc(/C=[NH+]/C2CCN(CC#N)CC2)c(O)c1 ZINC000730434466 574519866 /nfs/dbraw/zinc/51/98/66/574519866.db2.gz NHQIKHIOLULZTE-LDADJPATSA-N 1 2 287.363 2.198 20 30 CEEDLO Cc1ccc(NC(=O)N(C)C[C@H](C)C#N)c(N(C)C)[nH+]1 ZINC000750410101 575261893 /nfs/dbraw/zinc/26/18/93/575261893.db2.gz AVNLMTNQKGPEED-SNVBAGLBSA-N 1 2 275.356 2.079 20 30 CEEDLO O=C1c2cc(F)cc(F)c2OC/C1=C\c1[nH]cc[nH+]1 ZINC000731159100 574590666 /nfs/dbraw/zinc/59/06/66/574590666.db2.gz MMVVOEGMCZAOQO-XVNBXDOJSA-N 1 2 262.215 2.347 20 30 CEEDLO Cc1cc(NCc2ccc(OCC#N)cc2)nc[nH+]1 ZINC000732036830 574610394 /nfs/dbraw/zinc/61/03/94/574610394.db2.gz WZEYLCYCPGHARA-UHFFFAOYSA-N 1 2 254.293 2.300 20 30 CEEDLO C=CC1CC[NH+](Cn2nc(C(=O)OC)c(Cl)c2C)CC1 ZINC000732181493 574614049 /nfs/dbraw/zinc/61/40/49/574614049.db2.gz WGMRXUBGLFYXQN-UHFFFAOYSA-N 1 2 297.786 2.487 20 30 CEEDLO C=CC1CCN(c2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000735409919 574755165 /nfs/dbraw/zinc/75/51/65/574755165.db2.gz OSWMWNJVKFPBKO-UHFFFAOYSA-N 1 2 296.378 2.153 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCC2CCOCC2)ccc1F ZINC000735488572 574759883 /nfs/dbraw/zinc/75/98/83/574759883.db2.gz VXTGSTCJXJXFCN-UHFFFAOYSA-N 1 2 266.316 2.198 20 30 CEEDLO CCCCCCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000747113017 575167358 /nfs/dbraw/zinc/16/73/58/575167358.db2.gz SVLQSQLGVFVGKJ-INIZCTEOSA-N 1 2 295.471 2.243 20 30 CEEDLO O=C(C#Cc1ccccc1)Nc1ccc2[nH+]ccn2c1 ZINC000747390542 575170081 /nfs/dbraw/zinc/17/00/81/575170081.db2.gz SBCHQKMOQKTXLG-UHFFFAOYSA-N 1 2 261.284 2.325 20 30 CEEDLO C=CC[N@H+](CN1C(=O)c2ccc(F)cc2C1=O)C(C)C 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C=CC[NH+]1CC(N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000957102269 613657022 /nfs/dbraw/zinc/65/70/22/613657022.db2.gz OEORCJQOWWWXIE-UHFFFAOYSA-N 1 2 287.407 2.226 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000957280973 613712493 /nfs/dbraw/zinc/71/24/93/613712493.db2.gz IADATQORHVTZDU-CYBMUJFWSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000949474923 613712983 /nfs/dbraw/zinc/71/29/83/613712983.db2.gz DCQTUGWSLCYXGR-GFCCVEGCSA-N 1 2 272.339 2.142 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3c2cccc3Cl)CC1 ZINC000957849542 613713615 /nfs/dbraw/zinc/71/36/15/613713615.db2.gz JIYVJKNOWWZEMI-AWEZNQCLSA-N 1 2 290.794 2.310 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c(Cl)cccc2OC)CC1 ZINC000957773994 613714088 /nfs/dbraw/zinc/71/40/88/613714088.db2.gz AQZDXCKNRJLBAK-UHFFFAOYSA-N 1 2 294.782 2.292 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000950721396 613714472 /nfs/dbraw/zinc/71/44/72/613714472.db2.gz MCWGFYWOHARSRK-UHFFFAOYSA-N 1 2 262.328 2.078 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(F)c3ncccc3c2)CC1 ZINC000951773135 613715238 /nfs/dbraw/zinc/71/52/38/613715238.db2.gz KJZSVIMULTWBDB-UHFFFAOYSA-N 1 2 299.349 2.318 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000957428589 613716097 /nfs/dbraw/zinc/71/60/97/613716097.db2.gz LALUBSKWXQGDPN-UHFFFAOYSA-N 1 2 281.359 2.179 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000972492805 613722965 /nfs/dbraw/zinc/72/29/65/613722965.db2.gz RIOWRNLBCUJDTB-KRWDZBQOSA-N 1 2 292.423 2.078 20 30 CEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000972492805 613722966 /nfs/dbraw/zinc/72/29/66/613722966.db2.gz RIOWRNLBCUJDTB-KRWDZBQOSA-N 1 2 292.423 2.078 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000972531028 613724181 /nfs/dbraw/zinc/72/41/81/613724181.db2.gz IGEHWCRLFUEBRE-SJORKVTESA-N 1 2 292.423 2.078 20 30 CEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000972531028 613724182 /nfs/dbraw/zinc/72/41/82/613724182.db2.gz 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/nfs/dbraw/zinc/67/60/30/623676030.db2.gz SVKFWOLGEIRZFT-UHFFFAOYSA-N 1 2 265.729 2.257 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001024596141 625699671 /nfs/dbraw/zinc/69/96/71/625699671.db2.gz BCOBZTANQJJQRG-RAIGVLPGSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001024596141 625699673 /nfs/dbraw/zinc/69/96/73/625699673.db2.gz BCOBZTANQJJQRG-RAIGVLPGSA-N 1 2 270.804 2.366 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000934469377 624515287 /nfs/dbraw/zinc/51/52/87/624515287.db2.gz SQJPYMGZPOPUPN-MRVPVSSYSA-N 1 2 261.247 2.325 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CC(F)(F)F)no1 ZINC000934469377 624515291 /nfs/dbraw/zinc/51/52/91/624515291.db2.gz SQJPYMGZPOPUPN-MRVPVSSYSA-N 1 2 261.247 2.325 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001024700994 625768128 /nfs/dbraw/zinc/76/81/28/625768128.db2.gz JKNZJBCCIOUWBY-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001024700994 625768134 /nfs/dbraw/zinc/76/81/34/625768134.db2.gz JKNZJBCCIOUWBY-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=CC[N@H+](CN1Cc2ccccc2C1=O)[C@@H](C)COC ZINC000902314279 634578634 /nfs/dbraw/zinc/57/86/34/634578634.db2.gz YSEFRVBFPYTNJC-ZDUSSCGKSA-N 1 2 274.364 2.123 20 30 CEEDLO C=CC[N@@H+](CN1Cc2ccccc2C1=O)[C@@H](C)COC ZINC000902314279 634578636 /nfs/dbraw/zinc/57/86/36/634578636.db2.gz YSEFRVBFPYTNJC-ZDUSSCGKSA-N 1 2 274.364 2.123 20 30 CEEDLO C[C@@H](c1ccc(F)nc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828377 628280622 /nfs/dbraw/zinc/28/06/22/628280622.db2.gz PKFDQJDKMOOVSX-XQQFMLRXSA-N 1 2 276.359 2.200 20 30 CEEDLO C[C@@H](c1ccc(F)nc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828377 628280625 /nfs/dbraw/zinc/28/06/25/628280625.db2.gz PKFDQJDKMOOVSX-XQQFMLRXSA-N 1 2 276.359 2.200 20 30 CEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccccn1 ZINC000123573894 628386317 /nfs/dbraw/zinc/38/63/17/628386317.db2.gz 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C#C[C@H]1CCC[N@H+](Cc2nc([C@@H](C)OCC)no2)C1 ZINC000847025593 641531800 /nfs/dbraw/zinc/53/18/00/641531800.db2.gz NVUVXOCGHOJOGE-NEPJUHHUSA-N 1 2 263.341 2.012 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OC2CCCC2)cc1OC ZINC000183249313 641722585 /nfs/dbraw/zinc/72/25/85/641722585.db2.gz GCIRFOWVPCJDCV-UHFFFAOYSA-N 1 2 278.352 2.478 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847765314 641764535 /nfs/dbraw/zinc/76/45/35/641764535.db2.gz DPZMNAPIDAIJKH-GFCCVEGCSA-N 1 2 283.331 2.239 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847765314 641764540 /nfs/dbraw/zinc/76/45/40/641764540.db2.gz DPZMNAPIDAIJKH-GFCCVEGCSA-N 1 2 283.331 2.239 20 30 CEEDLO COC(=O)c1ccoc1CO[NH+]=C(N)Cc1ccccc1 ZINC000072001883 641849286 /nfs/dbraw/zinc/84/92/86/641849286.db2.gz LVMXNQAVDSYCNL-UHFFFAOYSA-N 1 2 288.303 2.098 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000848418679 641986912 /nfs/dbraw/zinc/98/69/12/641986912.db2.gz PEQLTTCGGBHLDY-UHFFFAOYSA-N 1 2 285.326 2.298 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000848420389 641987918 /nfs/dbraw/zinc/98/79/18/641987918.db2.gz ZCCCYGRCYCWCFX-UHFFFAOYSA-N 1 2 287.323 2.195 20 30 CEEDLO C#C[C@@H]1CCCN(c2cc(N3CCC[C@@H](C#C)C3)[nH+]cn2)C1 ZINC000848749905 642126436 /nfs/dbraw/zinc/12/64/36/642126436.db2.gz NJBJRCRIASRAGG-HZPDHXFCSA-N 1 2 294.402 2.176 20 30 CEEDLO C[C@@H](CC#N)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000771886270 642241446 /nfs/dbraw/zinc/24/14/46/642241446.db2.gz OTKMZBQOILVYGP-LBPRGKRZSA-N 1 2 253.309 2.098 20 30 CEEDLO COC(=O)C[C@@H](C/[NH+]=C/c1ccccc1O)C1CC1 ZINC000849172474 642279184 /nfs/dbraw/zinc/27/91/84/642279184.db2.gz SQFWWUKZVBVDJK-WFSQQTBHSA-N 1 2 261.321 2.400 20 30 CEEDLO N#CCC1C[NH+](C[C@H](O)c2ccccc2Cl)C1 ZINC000849327638 642330762 /nfs/dbraw/zinc/33/07/62/642330762.db2.gz SRCUNQSRAQSLLD-ZDUSSCGKSA-N 1 2 250.729 2.219 20 30 CEEDLO C#C[C@@H]1CCCC[C@H]1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000851538723 643060515 /nfs/dbraw/zinc/06/05/15/643060515.db2.gz 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643624601 /nfs/dbraw/zinc/62/46/01/643624601.db2.gz YNQFHLMSKSHUKT-TZDAIYRESA-N 1 2 285.347 2.427 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCCOC1 ZINC000853288435 643730229 /nfs/dbraw/zinc/73/02/29/643730229.db2.gz CDSLAJARPRJVQW-CYBMUJFWSA-N 1 2 260.337 2.465 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccn(C)n1 ZINC000853479117 643783636 /nfs/dbraw/zinc/78/36/36/643783636.db2.gz UWNSCRJZYXRBIP-UHFFFAOYSA-N 1 2 284.363 2.262 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@H](O)C1(C)C ZINC000853486295 643785926 /nfs/dbraw/zinc/78/59/26/643785926.db2.gz UGMJDOYXMRJDPZ-KGLIPLIRSA-N 1 2 274.364 2.445 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cn2c3ccccc3oc2=O)C1 ZINC000853525463 643801716 /nfs/dbraw/zinc/80/17/16/643801716.db2.gz FSAXISOSWQBRNL-GFCCVEGCSA-N 1 2 271.320 2.178 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cn2c3ccccc3oc2=O)C1 ZINC000853525463 643801720 /nfs/dbraw/zinc/80/17/20/643801720.db2.gz FSAXISOSWQBRNL-GFCCVEGCSA-N 1 2 271.320 2.178 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cn1ncc(Cl)c1C1CC1 ZINC000853621253 643834682 /nfs/dbraw/zinc/83/46/82/643834682.db2.gz WFAANMGLIQTLMM-UHFFFAOYSA-N 1 2 281.787 2.343 20 30 CEEDLO C#CCC[N@H+](CCOC)Cn1ncc(Cl)c1C1CC1 ZINC000853621253 643834688 /nfs/dbraw/zinc/83/46/88/643834688.db2.gz WFAANMGLIQTLMM-UHFFFAOYSA-N 1 2 281.787 2.343 20 30 CEEDLO CC#CCCCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842889131 644059831 /nfs/dbraw/zinc/05/98/31/644059831.db2.gz VWCWYVHATGKICK-UHFFFAOYSA-N 1 2 272.348 2.255 20 30 CEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnc(F)c3)CC2)cc1 ZINC000877744953 650891707 /nfs/dbraw/zinc/89/17/07/650891707.db2.gz CCFNZRDJJUZNMY-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CC1(C)C[C@@H](O)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877751626 650894414 /nfs/dbraw/zinc/89/44/14/650894414.db2.gz ICGSDWQVXBAKOC-GFCCVEGCSA-N 1 2 279.771 2.199 20 30 CEEDLO CC1(C)C[C@@H](O)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877751626 650894417 /nfs/dbraw/zinc/89/44/17/650894417.db2.gz ICGSDWQVXBAKOC-GFCCVEGCSA-N 1 2 279.771 2.199 20 30 CEEDLO C#CC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OC 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ZINC000755490613 644523345 /nfs/dbraw/zinc/52/33/45/644523345.db2.gz GUDBRCPAGDYGEV-UHFFFAOYSA-N 1 2 272.352 2.124 20 30 CEEDLO Cc1[nH+]c[nH]c1CN=Nc1nc(-c2ccccc2)no1 ZINC000755682855 644544203 /nfs/dbraw/zinc/54/42/03/644544203.db2.gz LHMIOVAYLFSHTF-UHFFFAOYSA-N 1 2 268.280 2.214 20 30 CEEDLO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc(F)cc(F)c1O ZINC000756552756 644664414 /nfs/dbraw/zinc/66/44/14/644664414.db2.gz HTBCSZKOXKSXMW-SNVBAGLBSA-N 1 2 295.333 2.309 20 30 CEEDLO CC(=NNC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000757599634 644824201 /nfs/dbraw/zinc/82/42/01/644824201.db2.gz TZSJMOUODHITIT-UHFFFAOYSA-N 1 2 284.363 2.365 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](CCC)C2)c1=S ZINC000757615420 644825593 /nfs/dbraw/zinc/82/55/93/644825593.db2.gz RQQYULMDSDRNCT-GFCCVEGCSA-N 1 2 281.429 2.465 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](CCC)C2)c1=S ZINC000757615420 644825597 /nfs/dbraw/zinc/82/55/97/644825597.db2.gz RQQYULMDSDRNCT-GFCCVEGCSA-N 1 2 281.429 2.465 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000758164076 644890251 /nfs/dbraw/zinc/89/02/51/644890251.db2.gz UDBCXZNZPSGHNK-AWEZNQCLSA-N 1 2 292.383 2.238 20 30 CEEDLO C[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)[C@H]1c1ccccc1 ZINC000758228562 644904141 /nfs/dbraw/zinc/90/41/41/644904141.db2.gz BUPBILDRQFTINH-XJKSGUPXSA-N 1 2 279.343 2.370 20 30 CEEDLO C[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)[C@H]1c1ccccc1 ZINC000758228562 644904145 /nfs/dbraw/zinc/90/41/45/644904145.db2.gz BUPBILDRQFTINH-XJKSGUPXSA-N 1 2 279.343 2.370 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000758951439 644971617 /nfs/dbraw/zinc/97/16/17/644971617.db2.gz OVFDEFOEJSGNMT-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000758951439 644971620 /nfs/dbraw/zinc/97/16/20/644971620.db2.gz OVFDEFOEJSGNMT-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976268 645027573 /nfs/dbraw/zinc/02/75/73/645027573.db2.gz ZTTCKTSPFKSKGO-IUODEOHRSA-N 1 2 294.358 2.195 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982009 645033796 /nfs/dbraw/zinc/03/37/96/645033796.db2.gz LJEZTNSXLOWZMA-TZMCWYRMSA-N 1 2 292.383 2.415 20 30 CEEDLO CCCCCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000858111350 645064666 /nfs/dbraw/zinc/06/46/66/645064666.db2.gz CKWIOTFIGLJYNQ-GJZGRUSLSA-N 1 2 299.459 2.365 20 30 CEEDLO C#CCCCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000760145896 645114340 /nfs/dbraw/zinc/11/43/40/645114340.db2.gz OVRQEDJVOUZWCM-CYBMUJFWSA-N 1 2 261.369 2.218 20 30 CEEDLO C#CCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000760351319 645144879 /nfs/dbraw/zinc/14/48/79/645144879.db2.gz PFKATJKNZKKCNL-UHFFFAOYSA-N 1 2 295.342 2.321 20 30 CEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)c(C#N)c1C ZINC000761096304 645239077 /nfs/dbraw/zinc/23/90/77/645239077.db2.gz QSBVCQGDDVZCKK-CMPLNLGQSA-N 1 2 275.377 2.269 20 30 CEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]32)c(C#N)c1C ZINC000761096304 645239082 /nfs/dbraw/zinc/23/90/82/645239082.db2.gz QSBVCQGDDVZCKK-CMPLNLGQSA-N 1 2 275.377 2.269 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)c(C#N)c1C ZINC000761101887 645240920 /nfs/dbraw/zinc/24/09/20/645240920.db2.gz ZRJPEIOHJAYACL-XHVZSJERSA-N 1 2 273.336 2.189 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[C@H]32)c(C#N)c1C ZINC000761101887 645240923 /nfs/dbraw/zinc/24/09/23/645240923.db2.gz ZRJPEIOHJAYACL-XHVZSJERSA-N 1 2 273.336 2.189 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000878132707 651009448 /nfs/dbraw/zinc/00/94/48/651009448.db2.gz AIOGPAPJLPBTDH-CYBMUJFWSA-N 1 2 267.369 2.139 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCOC2(CCCCC2)C1 ZINC000878132707 651009451 /nfs/dbraw/zinc/00/94/51/651009451.db2.gz AIOGPAPJLPBTDH-CYBMUJFWSA-N 1 2 267.369 2.139 20 30 CEEDLO C=CC[N@H+](Cc1cc(Cl)n(C)n1)[C@@H](C)COC ZINC000859344510 645463931 /nfs/dbraw/zinc/46/39/31/645463931.db2.gz WMHJINWIDUVSHR-JTQLQIEISA-N 1 2 257.765 2.096 20 30 CEEDLO C=CC[N@@H+](Cc1cc(Cl)n(C)n1)[C@@H](C)COC ZINC000859344510 645463935 /nfs/dbraw/zinc/46/39/35/645463935.db2.gz WMHJINWIDUVSHR-JTQLQIEISA-N 1 2 257.765 2.096 20 30 CEEDLO C#CC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578531 645524838 /nfs/dbraw/zinc/52/48/38/645524838.db2.gz UOIQQSFAMORQFT-MRXNPFEDSA-N 1 2 255.317 2.120 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578531 645524842 /nfs/dbraw/zinc/52/48/42/645524842.db2.gz UOIQQSFAMORQFT-MRXNPFEDSA-N 1 2 255.317 2.120 20 30 CEEDLO C#CC[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000767173077 645961847 /nfs/dbraw/zinc/96/18/47/645961847.db2.gz XWSHYOINEGZVDA-UHFFFAOYSA-N 1 2 282.391 2.006 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000862484588 646476803 /nfs/dbraw/zinc/47/68/03/646476803.db2.gz WBAYMPQYVYTIAW-CYBMUJFWSA-N 1 2 272.348 2.342 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000862561594 646501097 /nfs/dbraw/zinc/50/10/97/646501097.db2.gz ORAKZOJLSVYTGG-AWEZNQCLSA-N 1 2 279.343 2.358 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cccnc1Cl)C1CC1 ZINC000772380499 646624445 /nfs/dbraw/zinc/62/44/45/646624445.db2.gz FPRTYTHEZMDNQL-UHFFFAOYSA-N 1 2 265.744 2.324 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cccnc1Cl)C1CC1 ZINC000772380499 646624447 /nfs/dbraw/zinc/62/44/47/646624447.db2.gz FPRTYTHEZMDNQL-UHFFFAOYSA-N 1 2 265.744 2.324 20 30 CEEDLO C#C[C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000773590963 646760996 /nfs/dbraw/zinc/76/09/96/646760996.db2.gz NPWYAIPMXGEOAE-AWEZNQCLSA-N 1 2 288.395 2.107 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000776002984 647015680 /nfs/dbraw/zinc/01/56/80/647015680.db2.gz UULUUUSPVCQORK-OLZOCXBDSA-N 1 2 265.740 2.316 20 30 CEEDLO CC#CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000776122848 647025859 /nfs/dbraw/zinc/02/58/59/647025859.db2.gz QLMVIDXSBIHRIE-UHFFFAOYSA-N 1 2 282.347 2.085 20 30 CEEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000776991241 647102432 /nfs/dbraw/zinc/10/24/32/647102432.db2.gz WRFCEVKSUQOZME-LLVKDONJSA-N 1 2 256.309 2.002 20 30 CEEDLO C#Cc1cccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000779393515 647318233 /nfs/dbraw/zinc/31/82/33/647318233.db2.gz VZWAMTPJSHINQA-AWEZNQCLSA-N 1 2 280.331 2.001 20 30 CEEDLO CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779878588 647368203 /nfs/dbraw/zinc/36/82/03/647368203.db2.gz LSSHFKYSONBKHN-AWEZNQCLSA-N 1 2 277.412 2.464 20 30 CEEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000779878238 647368382 /nfs/dbraw/zinc/36/83/82/647368382.db2.gz CDTDHFWECSZHLH-UONOGXRCSA-N 1 2 275.396 2.361 20 30 CEEDLO C#CCOc1ccc(C[NH2+]Cc2ncnn2C(C)C)cc1 ZINC000865589515 647374653 /nfs/dbraw/zinc/37/46/53/647374653.db2.gz LXNZKBBHNYTYHB-UHFFFAOYSA-N 1 2 284.363 2.161 20 30 CEEDLO C#CCC[C@H](O)CNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865756752 647454256 /nfs/dbraw/zinc/45/42/56/647454256.db2.gz ZTYSULAOLNAQGV-HNNXBMFYSA-N 1 2 296.374 2.275 20 30 CEEDLO C#CCC[C@H](O)CNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865756752 647454263 /nfs/dbraw/zinc/45/42/63/647454263.db2.gz ZTYSULAOLNAQGV-HNNXBMFYSA-N 1 2 296.374 2.275 20 30 CEEDLO C#CCNC(=O)C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000781347581 647519929 /nfs/dbraw/zinc/51/99/29/647519929.db2.gz YOVSCJZTXPEYDO-UHFFFAOYSA-N 1 2 284.403 2.092 20 30 CEEDLO C#CCNC(=O)C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000781347581 647519932 /nfs/dbraw/zinc/51/99/32/647519932.db2.gz YOVSCJZTXPEYDO-UHFFFAOYSA-N 1 2 284.403 2.092 20 30 CEEDLO C#CCCOc1ccc(C[N@H+](CC)Cc2cn(C)nn2)cc1 ZINC000781931569 647573678 /nfs/dbraw/zinc/57/36/78/647573678.db2.gz YOQRODKMYVOUJI-UHFFFAOYSA-N 1 2 298.390 2.239 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+](CC)Cc2cn(C)nn2)cc1 ZINC000781931569 647573679 /nfs/dbraw/zinc/57/36/79/647573679.db2.gz YOQRODKMYVOUJI-UHFFFAOYSA-N 1 2 298.390 2.239 20 30 CEEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041194 647583681 /nfs/dbraw/zinc/58/36/81/647583681.db2.gz ICCVFPWXLIDBDN-DNVCBOLYSA-N 1 2 295.430 2.464 20 30 CEEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041194 647583682 /nfs/dbraw/zinc/58/36/82/647583682.db2.gz ICCVFPWXLIDBDN-DNVCBOLYSA-N 1 2 295.430 2.464 20 30 CEEDLO C[C@H]([NH2+]CCN1CCCC1)c1cccc(C#N)c1O ZINC000866217622 647677413 /nfs/dbraw/zinc/67/74/13/647677413.db2.gz ZIFNNSSXRMINSD-LBPRGKRZSA-N 1 2 259.353 2.010 20 30 CEEDLO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866241291 647689068 /nfs/dbraw/zinc/68/90/68/647689068.db2.gz APCJNHIUPIEOCJ-DGCLKSJQSA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc(C#N)c1O ZINC000866262576 647701711 /nfs/dbraw/zinc/70/17/11/647701711.db2.gz CDPDHSQNTCWKJB-IUODEOHRSA-N 1 2 285.391 2.399 20 30 CEEDLO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(C#N)c1O ZINC000866280936 647715196 /nfs/dbraw/zinc/71/51/96/647715196.db2.gz FWEYGYXNZAZIOK-XHDPSFHLSA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C#N)c1O ZINC000866310293 647729786 /nfs/dbraw/zinc/72/97/86/647729786.db2.gz MKBUFGCUEWYINB-GWCFXTLKSA-N 1 2 260.337 2.075 20 30 CEEDLO Cc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ncn1 ZINC000866309063 647729963 /nfs/dbraw/zinc/72/99/63/647729963.db2.gz BMHJLFJHKKLSQE-LLVKDONJSA-N 1 2 268.320 2.213 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc(C#N)c1O ZINC000866343385 647746662 /nfs/dbraw/zinc/74/66/62/647746662.db2.gz JMUPRVZTHYTCIW-SLEUVZQESA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(C#N)c1O ZINC000866348137 647749470 /nfs/dbraw/zinc/74/94/70/647749470.db2.gz NPGXQDITPXHEAL-UHIISALHSA-N 1 2 260.337 2.339 20 30 CEEDLO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866370142 647761094 /nfs/dbraw/zinc/76/10/94/647761094.db2.gz RRJBOEDGXRSQBN-YPMHNXCESA-N 1 2 260.337 2.242 20 30 CEEDLO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866396528 647772113 /nfs/dbraw/zinc/77/21/13/647772113.db2.gz YATKETIBOXHSSZ-ZWNOBZJWSA-N 1 2 286.331 2.176 20 30 CEEDLO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(C#N)c1O ZINC000866447608 647791836 /nfs/dbraw/zinc/79/18/36/647791836.db2.gz LHXANZWODDSYGX-BIAAXOCRSA-N 1 2 260.337 2.480 20 30 CEEDLO Cc1ccnc(N2CCC([N@H+](C)CC(F)F)CC2)c1C#N ZINC000784161638 647814982 /nfs/dbraw/zinc/81/49/82/647814982.db2.gz BFGDEBPPOPCCCS-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO Cc1ccnc(N2CCC([N@@H+](C)CC(F)F)CC2)c1C#N ZINC000784161638 647814984 /nfs/dbraw/zinc/81/49/84/647814984.db2.gz BFGDEBPPOPCCCS-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000867844078 647976154 /nfs/dbraw/zinc/97/61/54/647976154.db2.gz PZHCESSPVRNSKK-ZDUSSCGKSA-N 1 2 273.380 2.482 20 30 CEEDLO C=CCC[N@@H+](C)Cn1c2cc(C)nn2c2ccccc2c1=O ZINC000786100859 647985466 /nfs/dbraw/zinc/98/54/66/647985466.db2.gz FLMGXHBKBMBAOI-UHFFFAOYSA-N 1 2 296.374 2.423 20 30 CEEDLO C=CCC[N@H+](C)Cn1c2cc(C)nn2c2ccccc2c1=O ZINC000786100859 647985470 /nfs/dbraw/zinc/98/54/70/647985470.db2.gz FLMGXHBKBMBAOI-UHFFFAOYSA-N 1 2 296.374 2.423 20 30 CEEDLO C=CC[NH+](CC=C)Cc1cc(Br)nn1C ZINC000787049807 648068758 /nfs/dbraw/zinc/06/87/58/648068758.db2.gz QKELKVBZOIMCSV-UHFFFAOYSA-N 1 2 270.174 2.357 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C1CC1 ZINC000788780089 648223479 /nfs/dbraw/zinc/22/34/79/648223479.db2.gz UZUDQNDSQXMWNK-HNNXBMFYSA-N 1 2 298.386 2.212 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C1CC1 ZINC000788780089 648223480 /nfs/dbraw/zinc/22/34/80/648223480.db2.gz UZUDQNDSQXMWNK-HNNXBMFYSA-N 1 2 298.386 2.212 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)nc1 ZINC000790990047 648469452 /nfs/dbraw/zinc/46/94/52/648469452.db2.gz AHJBUECTWHRHCG-UHFFFAOYSA-N 1 2 289.342 2.429 20 30 CEEDLO N#Cc1ccc(C2(C(=O)OCc3cc[nH+]c(N)c3)CC2)cc1 ZINC000792161499 648617294 /nfs/dbraw/zinc/61/72/94/648617294.db2.gz VRRNAKDWTPCXPI-UHFFFAOYSA-N 1 2 293.326 2.310 20 30 CEEDLO C#CC[N@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000792336221 648639735 /nfs/dbraw/zinc/63/97/35/648639735.db2.gz QGBGSNMCWMTPJH-KRWDZBQOSA-N 1 2 271.360 2.260 20 30 CEEDLO C#CC[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000792336221 648639739 /nfs/dbraw/zinc/63/97/39/648639739.db2.gz 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2.082 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CCC1CC2 ZINC001018314288 810603730 /nfs/dbraw/zinc/60/37/30/810603730.db2.gz SQQLDCIMYIFLFN-GADNRMJZSA-N 1 2 286.419 2.121 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CCC1CC2 ZINC001018314288 810603735 /nfs/dbraw/zinc/60/37/35/810603735.db2.gz SQQLDCIMYIFLFN-GADNRMJZSA-N 1 2 286.419 2.121 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1sc(Cl)nc1C ZINC001038300831 810819852 /nfs/dbraw/zinc/81/98/52/810819852.db2.gz NLXCYPVPZSIQPA-JTQLQIEISA-N 1 2 299.827 2.485 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1sc(Cl)nc1C ZINC001038300831 810819858 /nfs/dbraw/zinc/81/98/58/810819858.db2.gz NLXCYPVPZSIQPA-JTQLQIEISA-N 1 2 299.827 2.485 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1C[C@@H](F)CC ZINC001038344569 810828173 /nfs/dbraw/zinc/82/81/73/810828173.db2.gz IJJXNFGXOLXJNS-UONOGXRCSA-N 1 2 293.386 2.226 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1C[C@@H](F)CC ZINC001038344569 810828182 /nfs/dbraw/zinc/82/81/82/810828182.db2.gz IJJXNFGXOLXJNS-UONOGXRCSA-N 1 2 293.386 2.226 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085566026 810829918 /nfs/dbraw/zinc/82/99/18/810829918.db2.gz YIANGGICBVBKHF-LLVKDONJSA-N 1 2 280.755 2.103 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085566026 810829924 /nfs/dbraw/zinc/82/99/24/810829924.db2.gz YIANGGICBVBKHF-LLVKDONJSA-N 1 2 280.755 2.103 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001038478190 810846085 /nfs/dbraw/zinc/84/60/85/810846085.db2.gz AIRDUQDOFCNJTG-KRWDZBQOSA-N 1 2 284.403 2.467 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001038478190 810846092 /nfs/dbraw/zinc/84/60/92/810846092.db2.gz AIRDUQDOFCNJTG-KRWDZBQOSA-N 1 2 284.403 2.467 20 30 CEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172360603 815402358 /nfs/dbraw/zinc/40/23/58/815402358.db2.gz PGEZVQWTTLWHQM-KXNHARMFSA-N 1 2 259.415 2.262 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc2ccccc12 ZINC001038569948 810865172 /nfs/dbraw/zinc/86/51/72/810865172.db2.gz JDCSCUNDZGCONO-LBPRGKRZSA-N 1 2 284.384 2.339 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc2ccccc12 ZINC001038569948 810865175 /nfs/dbraw/zinc/86/51/75/810865175.db2.gz JDCSCUNDZGCONO-LBPRGKRZSA-N 1 2 284.384 2.339 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001038700974 810894257 /nfs/dbraw/zinc/89/42/57/810894257.db2.gz WTAOOCRCOQANDX-OAHLLOKOSA-N 1 2 285.391 2.032 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001038700974 810894263 /nfs/dbraw/zinc/89/42/63/810894263.db2.gz WTAOOCRCOQANDX-OAHLLOKOSA-N 1 2 285.391 2.032 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038799923 810917722 /nfs/dbraw/zinc/91/77/22/810917722.db2.gz RHNLPAQUSPDQER-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038799923 810917726 /nfs/dbraw/zinc/91/77/26/810917726.db2.gz RHNLPAQUSPDQER-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCF)CC1 ZINC001085801494 810920565 /nfs/dbraw/zinc/92/05/65/810920565.db2.gz UQGMQDQLNDCXIW-AWEZNQCLSA-N 1 2 268.376 2.235 20 30 CEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCF)CC1 ZINC001085801494 810920571 /nfs/dbraw/zinc/92/05/71/810920571.db2.gz UQGMQDQLNDCXIW-AWEZNQCLSA-N 1 2 268.376 2.235 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(C2CC2)c1 ZINC001038858927 810929033 /nfs/dbraw/zinc/92/90/33/810929033.db2.gz SGTPGTVZYSASRJ-OAHLLOKOSA-N 1 2 298.386 2.010 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(C2CC2)c1 ZINC001038858927 810929039 /nfs/dbraw/zinc/92/90/39/810929039.db2.gz SGTPGTVZYSASRJ-OAHLLOKOSA-N 1 2 298.386 2.010 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]cnc21 ZINC001085888699 810958005 /nfs/dbraw/zinc/95/80/05/810958005.db2.gz FIFLLBJZBGCMPY-ZDUSSCGKSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]cnc21 ZINC001085888699 810958009 /nfs/dbraw/zinc/95/80/09/810958009.db2.gz FIFLLBJZBGCMPY-ZDUSSCGKSA-N 1 2 298.390 2.285 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001038984840 810963249 /nfs/dbraw/zinc/96/32/49/810963249.db2.gz HCTIRCQXPJNCQY-SFHVURJKSA-N 1 2 296.414 2.393 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001038984840 810963254 /nfs/dbraw/zinc/96/32/54/810963254.db2.gz HCTIRCQXPJNCQY-SFHVURJKSA-N 1 2 296.414 2.393 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1Cl ZINC001085956697 810984167 /nfs/dbraw/zinc/98/41/67/810984167.db2.gz JBVVCGONZINKRW-LBPRGKRZSA-N 1 2 294.757 2.259 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1Cl ZINC001085956697 810984171 /nfs/dbraw/zinc/98/41/71/810984171.db2.gz JBVVCGONZINKRW-LBPRGKRZSA-N 1 2 294.757 2.259 20 30 CEEDLO C=C(Cl)C[NH2+]CCN(CC)C(=O)C(F)C(F)(F)F ZINC001273389136 811008611 /nfs/dbraw/zinc/00/86/11/811008611.db2.gz FPGGXGORHMYRIJ-MRVPVSSYSA-N 1 2 290.688 2.077 20 30 CEEDLO C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC001273389136 811008615 /nfs/dbraw/zinc/00/86/15/811008615.db2.gz FPGGXGORHMYRIJ-MRVPVSSYSA-N 1 2 290.688 2.077 20 30 CEEDLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)CCCC#N ZINC001172482079 815433295 /nfs/dbraw/zinc/43/32/95/815433295.db2.gz ZXOWJAQPHIZSIP-WFASDCNBSA-N 1 2 290.363 2.148 20 30 CEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001108408436 811286719 /nfs/dbraw/zinc/28/67/19/811286719.db2.gz GCXCNNRSDVYNSW-QGZVFWFLSA-N 1 2 294.439 2.043 20 30 CEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001108408436 811286725 /nfs/dbraw/zinc/28/67/25/811286725.db2.gz GCXCNNRSDVYNSW-QGZVFWFLSA-N 1 2 294.439 2.043 20 30 CEEDLO CC1(C)OCC(Nc2cc(C3(C#N)CC3)cc[nH+]2)CO1 ZINC001168905002 811291589 /nfs/dbraw/zinc/29/15/89/811291589.db2.gz RJNXFABSWMQHQW-UHFFFAOYSA-N 1 2 273.336 2.200 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001042682565 811320727 /nfs/dbraw/zinc/32/07/27/811320727.db2.gz ZYRYSDLUKAVZLQ-UHFFFAOYSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001042776684 811329219 /nfs/dbraw/zinc/32/92/19/811329219.db2.gz TWGJIRWBXOITGN-AWEZNQCLSA-N 1 2 262.397 2.452 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001042866264 811332523 /nfs/dbraw/zinc/33/25/23/811332523.db2.gz PNZZFVWBDQSMGA-NSHDSACASA-N 1 2 272.339 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2noc3ccccc32)C1 ZINC001043257991 811361608 /nfs/dbraw/zinc/36/16/08/811361608.db2.gz CHAUAWVZBVPAKQ-UHFFFAOYSA-N 1 2 299.374 2.089 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001043365915 811370437 /nfs/dbraw/zinc/37/04/37/811370437.db2.gz JDKCKKOEWWXXRL-MRXNPFEDSA-N 1 2 288.366 2.184 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(F)ccc2OC)C1 ZINC001043499216 811380262 /nfs/dbraw/zinc/38/02/62/811380262.db2.gz JZNYCQPLADDBBL-UHFFFAOYSA-N 1 2 292.354 2.167 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001043650554 811392360 /nfs/dbraw/zinc/39/23/60/811392360.db2.gz FLUNGFJIIAXRFU-MRXNPFEDSA-N 1 2 288.366 2.184 20 30 CEEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)C1 ZINC001043814032 811409763 /nfs/dbraw/zinc/40/97/63/811409763.db2.gz OCUAKMFQYYPHCM-ZFWWWQNUSA-N 1 2 292.423 2.053 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC001043842714 811411391 /nfs/dbraw/zinc/41/13/91/811411391.db2.gz HRIQQLQVOSMUEA-LBPRGKRZSA-N 1 2 262.353 2.102 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001043847636 811411435 /nfs/dbraw/zinc/41/14/35/811411435.db2.gz LIWBXDUTORGBJJ-LLVKDONJSA-N 1 2 264.394 2.180 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2Cc3ccccc3C2)C1 ZINC001043965439 811419074 /nfs/dbraw/zinc/41/90/74/811419074.db2.gz FKCIVSGDCLHJQN-UHFFFAOYSA-N 1 2 284.403 2.120 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001044018238 811429221 /nfs/dbraw/zinc/42/92/21/811429221.db2.gz HHTXYIOMHQDWDF-CVEARBPZSA-N 1 2 270.376 2.119 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001044018498 811429319 /nfs/dbraw/zinc/42/93/19/811429319.db2.gz MFHPFGSFVDAJMG-CYBMUJFWSA-N 1 2 276.380 2.410 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001044041227 811430961 /nfs/dbraw/zinc/43/09/61/811430961.db2.gz GMOVEVHWZFEJCF-UHFFFAOYSA-N 1 2 294.398 2.426 20 30 CEEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cccc3[nH]cnc32)C1 ZINC001044080005 811436201 /nfs/dbraw/zinc/43/62/01/811436201.db2.gz HFIUGLRLDWKBRU-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@]2(C)CC)C1 ZINC001044120033 811438270 /nfs/dbraw/zinc/43/82/70/811438270.db2.gz LNOFFEWZHGQKMV-HIFRSBDPSA-N 1 2 250.386 2.141 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3scnc3c2)C1 ZINC001044130358 811442819 /nfs/dbraw/zinc/44/28/19/811442819.db2.gz LBFPFNBUEZGLRT-UHFFFAOYSA-N 1 2 299.399 2.076 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001044222443 811457175 /nfs/dbraw/zinc/45/71/75/811457175.db2.gz JSGAXGKXKOLOHN-UHFFFAOYSA-N 1 2 283.375 2.039 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001044263483 811463078 /nfs/dbraw/zinc/46/30/78/811463078.db2.gz PBLLDRXTERLWPR-UHFFFAOYSA-N 1 2 272.392 2.175 20 30 CEEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2ccc3cccnc3c2n1 ZINC001156321196 811520129 /nfs/dbraw/zinc/52/01/29/811520129.db2.gz UAEWZPXDVDJFAI-AWEZNQCLSA-N 1 2 289.342 2.085 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccncc2)C1 ZINC001046102588 811684613 /nfs/dbraw/zinc/68/46/13/811684613.db2.gz BYKGJJRSSONWMK-AWEZNQCLSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccncc2)C1 ZINC001046102588 811684615 /nfs/dbraw/zinc/68/46/15/811684615.db2.gz BYKGJJRSSONWMK-AWEZNQCLSA-N 1 2 279.771 2.028 20 30 CEEDLO CCCC[N@H+](CC#N)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954958 811724985 /nfs/dbraw/zinc/72/49/85/811724985.db2.gz FVDNGKOGRQHTMS-CYBMUJFWSA-N 1 2 252.358 2.298 20 30 CEEDLO CCCC[N@@H+](CC#N)[C@@H]1CCCC2(C1)OCCO2 ZINC001169954958 811724993 /nfs/dbraw/zinc/72/49/93/811724993.db2.gz FVDNGKOGRQHTMS-CYBMUJFWSA-N 1 2 252.358 2.298 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046266679 811726152 /nfs/dbraw/zinc/72/61/52/811726152.db2.gz OMYDTSHACVPZDG-OAHLLOKOSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046266679 811726154 /nfs/dbraw/zinc/72/61/54/811726154.db2.gz OMYDTSHACVPZDG-OAHLLOKOSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096459083 812046426 /nfs/dbraw/zinc/04/64/26/812046426.db2.gz XSBQJBSBHXPFGY-KBPBESRZSA-N 1 2 288.395 2.082 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096470970 812071501 /nfs/dbraw/zinc/07/15/01/812071501.db2.gz FDXZOJWDGXJQCY-TZMCWYRMSA-N 1 2 288.395 2.082 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113302908 812212884 /nfs/dbraw/zinc/21/28/84/812212884.db2.gz BLELLCKDIQTAMY-QGZVFWFLSA-N 1 2 296.455 2.406 20 30 CEEDLO C=CCCC(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113562479 812277704 /nfs/dbraw/zinc/27/77/04/812277704.db2.gz MVEQZZNAYLRDCC-LLVKDONJSA-N 1 2 290.411 2.309 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096974475 812303738 /nfs/dbraw/zinc/30/37/38/812303738.db2.gz ROYXDZUPCHSTRQ-OCCSQVGLSA-N 1 2 288.395 2.400 20 30 CEEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097242386 812346644 /nfs/dbraw/zinc/34/66/44/812346644.db2.gz XVUNZCAWTFTCOQ-UZGDPCLZSA-N 1 2 288.395 2.302 20 30 CEEDLO C=C(C)CC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100349038 812368071 /nfs/dbraw/zinc/36/80/71/812368071.db2.gz OXMVCFAADOAHBY-VQXHTEKXSA-N 1 2 296.308 2.337 20 30 CEEDLO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100349038 812368084 /nfs/dbraw/zinc/36/80/84/812368084.db2.gz OXMVCFAADOAHBY-VQXHTEKXSA-N 1 2 296.308 2.337 20 30 CEEDLO COc1c[nH+]c(NCC(C)(C)S)nc1NC1CC1 ZINC001170301935 812378486 /nfs/dbraw/zinc/37/84/86/812378486.db2.gz KNQNQSQTXKGIED-UHFFFAOYSA-N 1 2 268.386 2.180 20 30 CEEDLO COc1ccc(C[C@@H](C)[N@H+](C)CCC#N)c([N+](=O)[O-])c1 ZINC001170330044 812388432 /nfs/dbraw/zinc/38/84/32/812388432.db2.gz XGOOGFQVUBACNE-LLVKDONJSA-N 1 2 277.324 2.380 20 30 CEEDLO COc1ccc(C[C@@H](C)[N@@H+](C)CCC#N)c([N+](=O)[O-])c1 ZINC001170330044 812388443 /nfs/dbraw/zinc/38/84/43/812388443.db2.gz XGOOGFQVUBACNE-LLVKDONJSA-N 1 2 277.324 2.380 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC34CC4)cc2C1 ZINC001054283671 812558829 /nfs/dbraw/zinc/55/88/29/812558829.db2.gz NPHHLNQBSCSXMM-INIZCTEOSA-N 1 2 280.371 2.052 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC34CC4)cc2C1 ZINC001054283671 812558831 /nfs/dbraw/zinc/55/88/31/812558831.db2.gz NPHHLNQBSCSXMM-INIZCTEOSA-N 1 2 280.371 2.052 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](CC(=O)OC)c1ccc(O)cc1 ZINC001255159528 812718593 /nfs/dbraw/zinc/71/85/93/812718593.db2.gz XLYQWLPQGMYJAM-OCCSQVGLSA-N 1 2 276.336 2.278 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCOC)CC[C@@H]1C ZINC001131847622 812741501 /nfs/dbraw/zinc/74/15/01/812741501.db2.gz FEKVSYLOMJYSTI-STQMWFEESA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCOC)CC[C@@H]1C ZINC001131847622 812741509 /nfs/dbraw/zinc/74/15/09/812741509.db2.gz FEKVSYLOMJYSTI-STQMWFEESA-N 1 2 288.819 2.135 20 30 CEEDLO CO[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001172940853 815554369 /nfs/dbraw/zinc/55/43/69/815554369.db2.gz UHKREZKRARCIOD-YNEHKIRRSA-N 1 2 267.394 2.218 20 30 CEEDLO CO[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001172940853 815554375 /nfs/dbraw/zinc/55/43/75/815554375.db2.gz UHKREZKRARCIOD-YNEHKIRRSA-N 1 2 267.394 2.218 20 30 CEEDLO C=CCCC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123762231 815554618 /nfs/dbraw/zinc/55/46/18/815554618.db2.gz SIDDFSBGKLEJQG-KBPBESRZSA-N 1 2 288.395 2.448 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CF)CC2)CC[C@@H]1C ZINC001132291355 812824923 /nfs/dbraw/zinc/82/49/23/812824923.db2.gz JWKFMXWXMBPGFC-RYUDHWBXSA-N 1 2 288.794 2.458 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CF)CC2)CC[C@@H]1C ZINC001132291355 812824930 /nfs/dbraw/zinc/82/49/30/812824930.db2.gz JWKFMXWXMBPGFC-RYUDHWBXSA-N 1 2 288.794 2.458 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001132308458 812826954 /nfs/dbraw/zinc/82/69/54/812826954.db2.gz HWDLLHIXJUJSMW-LLVKDONJSA-N 1 2 294.399 2.001 20 30 CEEDLO CC[C@H](CC#N)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001255173015 812833562 /nfs/dbraw/zinc/83/35/62/812833562.db2.gz VVZDUUIWFGBFAE-KGLIPLIRSA-N 1 2 263.385 2.156 20 30 CEEDLO CC[C@H](CC#N)[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001255173015 812833570 /nfs/dbraw/zinc/83/35/70/812833570.db2.gz VVZDUUIWFGBFAE-KGLIPLIRSA-N 1 2 263.385 2.156 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001050861184 812873661 /nfs/dbraw/zinc/87/36/61/812873661.db2.gz JHEJUIOCLWKGRA-ZDUSSCGKSA-N 1 2 294.439 2.062 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001050861184 812873671 /nfs/dbraw/zinc/87/36/71/812873671.db2.gz JHEJUIOCLWKGRA-ZDUSSCGKSA-N 1 2 294.439 2.062 20 30 CEEDLO CC[C@H](CC#N)[NH+]1CCC(Oc2nccc(C)n2)CC1 ZINC001255176596 813024572 /nfs/dbraw/zinc/02/45/72/813024572.db2.gz CMPPDUDIPIMNRH-CYBMUJFWSA-N 1 2 274.368 2.321 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001255177988 813025522 /nfs/dbraw/zinc/02/55/22/813025522.db2.gz ZRCKDPVSQLNFLA-UONOGXRCSA-N 1 2 274.368 2.321 20 30 CEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001255177988 813025526 /nfs/dbraw/zinc/02/55/26/813025526.db2.gz ZRCKDPVSQLNFLA-UONOGXRCSA-N 1 2 274.368 2.321 20 30 CEEDLO CCc1nc(C[N@H+](C)CCO[C@@H](C)C#N)cs1 ZINC000383085622 813094678 /nfs/dbraw/zinc/09/46/78/813094678.db2.gz VKIJAWHOUUVOGM-JTQLQIEISA-N 1 2 253.371 2.066 20 30 CEEDLO CCc1nc(C[N@@H+](C)CCO[C@@H](C)C#N)cs1 ZINC000383085622 813094686 /nfs/dbraw/zinc/09/46/86/813094686.db2.gz VKIJAWHOUUVOGM-JTQLQIEISA-N 1 2 253.371 2.066 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccsn2)CC[C@@H]1C ZINC001071604531 813447013 /nfs/dbraw/zinc/44/70/13/813447013.db2.gz ZWCZCHPVAAGVHB-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccsn2)CC[C@@H]1C ZINC001071604531 813447019 /nfs/dbraw/zinc/44/70/19/813447019.db2.gz ZWCZCHPVAAGVHB-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[C@@H]1C ZINC001071924190 813513798 /nfs/dbraw/zinc/51/37/98/813513798.db2.gz SYYOCMWUQKPIOK-STQMWFEESA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)CC[C@@H]1C ZINC001071924190 813513802 /nfs/dbraw/zinc/51/38/02/813513802.db2.gz SYYOCMWUQKPIOK-STQMWFEESA-N 1 2 298.390 2.332 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001074141010 813809677 /nfs/dbraw/zinc/80/96/77/813809677.db2.gz PWQSLPCRJOBCHP-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001074141010 813809687 /nfs/dbraw/zinc/80/96/87/813809687.db2.gz PWQSLPCRJOBCHP-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C[N@H+](CCC1OCCO1)Cc1c(Cl)cccc1C#N ZINC001143731206 813867463 /nfs/dbraw/zinc/86/74/63/813867463.db2.gz OJZVBEBCZIMVPZ-UHFFFAOYSA-N 1 2 280.755 2.406 20 30 CEEDLO C[N@@H+](CCC1OCCO1)Cc1c(Cl)cccc1C#N ZINC001143731206 813867472 /nfs/dbraw/zinc/86/74/72/813867472.db2.gz OJZVBEBCZIMVPZ-UHFFFAOYSA-N 1 2 280.755 2.406 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(OCC)c2F)CC1 ZINC001143943091 813904227 /nfs/dbraw/zinc/90/42/27/813904227.db2.gz SDYYSUYOTVSHQU-UHFFFAOYSA-N 1 2 294.345 2.114 20 30 CEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001098328516 813917505 /nfs/dbraw/zinc/91/75/05/813917505.db2.gz RJCKHOOIHVPLKE-MXWKQRLJSA-N 1 2 294.807 2.370 20 30 CEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001098328516 813917511 /nfs/dbraw/zinc/91/75/11/813917511.db2.gz RJCKHOOIHVPLKE-MXWKQRLJSA-N 1 2 294.807 2.370 20 30 CEEDLO C=C(Cc1ccccc1)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001144395696 814052852 /nfs/dbraw/zinc/05/28/52/814052852.db2.gz KORVGXUCAUWDJD-UHFFFAOYSA-N 1 2 281.359 2.067 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091484326 814253192 /nfs/dbraw/zinc/25/31/92/814253192.db2.gz BEQDOUBEPYRYMZ-HDJSIYSDSA-N 1 2 288.395 2.448 20 30 CEEDLO C=CCC1(C(=O)N(C)CCNc2cc[nH+]c(C)n2)CCC1 ZINC001101929885 814340936 /nfs/dbraw/zinc/34/09/36/814340936.db2.gz UPEAWKBBVPOXJH-UHFFFAOYSA-N 1 2 288.395 2.402 20 30 CEEDLO C=CC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccncc1 ZINC001147006830 814368244 /nfs/dbraw/zinc/36/82/44/814368244.db2.gz FYDRXZLLXYQWCX-ZDUSSCGKSA-N 1 2 270.336 2.089 20 30 CEEDLO C=CCCC(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001102857937 814436302 /nfs/dbraw/zinc/43/63/02/814436302.db2.gz KHHOVTWUJIAYSF-AWEZNQCLSA-N 1 2 288.395 2.226 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784441965 814663116 /nfs/dbraw/zinc/66/31/16/814663116.db2.gz IARQXJWLJRQFHT-GJZGRUSLSA-N 1 2 289.335 2.254 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784441965 814663120 /nfs/dbraw/zinc/66/31/20/814663120.db2.gz IARQXJWLJRQFHT-GJZGRUSLSA-N 1 2 289.335 2.254 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC001112399015 814667348 /nfs/dbraw/zinc/66/73/48/814667348.db2.gz ZDYLPGZLMIISCR-GXTWGEPZSA-N 1 2 288.395 2.082 20 30 CEEDLO C=CCCC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115655327 814738247 /nfs/dbraw/zinc/73/82/47/814738247.db2.gz UOUMYACQZNGDRM-NSHDSACASA-N 1 2 262.357 2.010 20 30 CEEDLO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC001116396575 814851122 /nfs/dbraw/zinc/85/11/22/814851122.db2.gz YVTCOSQZBYGKAA-AWEZNQCLSA-N 1 2 287.363 2.467 20 30 CEEDLO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC001116396575 814851127 /nfs/dbraw/zinc/85/11/27/814851127.db2.gz YVTCOSQZBYGKAA-AWEZNQCLSA-N 1 2 287.363 2.467 20 30 CEEDLO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC001116396579 814851200 /nfs/dbraw/zinc/85/12/00/814851200.db2.gz YVTCOSQZBYGKAA-CQSZACIVSA-N 1 2 287.363 2.467 20 30 CEEDLO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC001116396579 814851206 /nfs/dbraw/zinc/85/12/06/814851206.db2.gz YVTCOSQZBYGKAA-CQSZACIVSA-N 1 2 287.363 2.467 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173221136 815626130 /nfs/dbraw/zinc/62/61/30/815626130.db2.gz JZGASNPICSKUIQ-SMDDNHRTSA-N 1 2 292.335 2.233 20 30 CEEDLO CCSC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001173303567 815659049 /nfs/dbraw/zinc/65/90/49/815659049.db2.gz YPPPJGGZIRQBLR-KOLCDFICSA-N 1 2 257.424 2.402 20 30 CEEDLO CCSC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001173303567 815659053 /nfs/dbraw/zinc/65/90/53/815659053.db2.gz YPPPJGGZIRQBLR-KOLCDFICSA-N 1 2 257.424 2.402 20 30 CEEDLO CCSC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173303567 815659058 /nfs/dbraw/zinc/65/90/58/815659058.db2.gz YPPPJGGZIRQBLR-KOLCDFICSA-N 1 2 257.424 2.402 20 30 CEEDLO CCSC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173303567 815659061 /nfs/dbraw/zinc/65/90/61/815659061.db2.gz YPPPJGGZIRQBLR-KOLCDFICSA-N 1 2 257.424 2.402 20 30 CEEDLO C[C@H](C#N)N(C)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138565491 815830019 /nfs/dbraw/zinc/83/00/19/815830019.db2.gz OVVGZCOJQKRIKS-CYBMUJFWSA-N 1 2 254.337 2.275 20 30 CEEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(O)CC1 ZINC001139689276 816086272 /nfs/dbraw/zinc/08/62/72/816086272.db2.gz HJCSDNXBYCESOV-UHFFFAOYSA-N 1 2 250.729 2.168 20 30 CEEDLO C=CCn1cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cn1 ZINC001139767928 816110429 /nfs/dbraw/zinc/11/04/29/816110429.db2.gz DZZBPWIYIKOEQP-CHWSQXEVSA-N 1 2 255.312 2.341 20 30 CEEDLO C=CCn1cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cn1 ZINC001139767928 816110434 /nfs/dbraw/zinc/11/04/34/816110434.db2.gz DZZBPWIYIKOEQP-CHWSQXEVSA-N 1 2 255.312 2.341 20 30 CEEDLO C=CCn1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cn1 ZINC001139766616 816110602 /nfs/dbraw/zinc/11/06/02/816110602.db2.gz RGSVNEOJSSXNAL-CABCVRRESA-N 1 2 273.380 2.403 20 30 CEEDLO C=CCn1cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cn1 ZINC001139766616 816110606 /nfs/dbraw/zinc/11/06/06/816110606.db2.gz RGSVNEOJSSXNAL-CABCVRRESA-N 1 2 273.380 2.403 20 30 CEEDLO C[N@H+](Cc1cnc2ccccn12)Cc1ccc(C#N)nc1 ZINC001140540490 816281804 /nfs/dbraw/zinc/28/18/04/816281804.db2.gz YCYDBLFVYJTYMZ-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO C[N@@H+](Cc1cnc2ccccn12)Cc1ccc(C#N)nc1 ZINC001140540490 816281811 /nfs/dbraw/zinc/28/18/11/816281811.db2.gz YCYDBLFVYJTYMZ-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO C=CCn1cnc2c1ncnc2Nc1c[nH+]ccc1OC ZINC001176118244 816353495 /nfs/dbraw/zinc/35/34/95/816353495.db2.gz DROGMJQKSYOCCT-UHFFFAOYSA-N 1 2 282.307 2.160 20 30 CEEDLO C=CCOC(=O)N1CC[NH+](Cc2[nH]cc(C)c2C)CC1 ZINC001140864627 816387030 /nfs/dbraw/zinc/38/70/30/816387030.db2.gz ZGIDDUPDEKVPIH-UHFFFAOYSA-N 1 2 277.368 2.072 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001141163516 816493817 /nfs/dbraw/zinc/49/38/17/816493817.db2.gz HWBBFIDPPKDIDG-ABAIWWIYSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001141163516 816493823 /nfs/dbraw/zinc/49/38/23/816493823.db2.gz HWBBFIDPPKDIDG-ABAIWWIYSA-N 1 2 260.312 2.308 20 30 CEEDLO Cc1cc(C#N)c(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC001178100685 816674702 /nfs/dbraw/zinc/67/47/02/816674702.db2.gz CDCSJBQUKWDADX-SNVBAGLBSA-N 1 2 286.360 2.326 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000336244461 365534129 /nfs/dbraw/zinc/53/41/29/365534129.db2.gz NVKQQDXDPIEINN-NHYWBVRUSA-N 1 2 266.304 2.361 20 30 CEEDLO C=CC[N@@H+](C)Cc1nc(N)nc(Nc2ccccc2CC)n1 ZINC000121249801 365540502 /nfs/dbraw/zinc/54/05/02/365540502.db2.gz ZCFJDDPJUYJRGU-UHFFFAOYSA-N 1 2 298.394 2.378 20 30 CEEDLO C=CC[N@H+](C)Cc1nc(N)nc(Nc2ccccc2CC)n1 ZINC000121249801 365540508 /nfs/dbraw/zinc/54/05/08/365540508.db2.gz ZCFJDDPJUYJRGU-UHFFFAOYSA-N 1 2 298.394 2.378 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121359412 365558237 /nfs/dbraw/zinc/55/82/37/365558237.db2.gz VLDZSOCORVTTGZ-UHFFFAOYSA-N 1 2 283.375 2.003 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121359412 365558242 /nfs/dbraw/zinc/55/82/42/365558242.db2.gz VLDZSOCORVTTGZ-UHFFFAOYSA-N 1 2 283.375 2.003 20 30 CEEDLO C=CC[N@@H+](C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000121565167 365585283 /nfs/dbraw/zinc/58/52/83/365585283.db2.gz LBMLFHBCEOGORI-LLVKDONJSA-N 1 2 284.367 2.376 20 30 CEEDLO C=CC[N@H+](C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000121565167 365585293 /nfs/dbraw/zinc/58/52/93/365585293.db2.gz LBMLFHBCEOGORI-LLVKDONJSA-N 1 2 284.367 2.376 20 30 CEEDLO C=CC[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000121564623 365585849 /nfs/dbraw/zinc/58/58/49/365585849.db2.gz WOVNJYGUPCLEKX-UHFFFAOYSA-N 1 2 263.728 2.194 20 30 CEEDLO C=CC[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000121564623 365585855 /nfs/dbraw/zinc/58/58/55/365585855.db2.gz WOVNJYGUPCLEKX-UHFFFAOYSA-N 1 2 263.728 2.194 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2nc(C#N)cs2)CCS1 ZINC000336578704 365669642 /nfs/dbraw/zinc/66/96/42/365669642.db2.gz JCMCYGKTXJEMIW-JTQLQIEISA-N 1 2 253.396 2.342 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CCS1 ZINC000336578704 365669645 /nfs/dbraw/zinc/66/96/45/365669645.db2.gz JCMCYGKTXJEMIW-JTQLQIEISA-N 1 2 253.396 2.342 20 30 CEEDLO Cc1cc(C[NH+]2CCN(C3CC3)CC2)ccc1C#N ZINC000336584723 365679652 /nfs/dbraw/zinc/67/96/52/365679652.db2.gz UZGQIWRURGUOQC-UHFFFAOYSA-N 1 2 255.365 2.147 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601445060 346838399 /nfs/dbraw/zinc/83/83/99/346838399.db2.gz OWISFHWMTIMBDZ-AWEZNQCLSA-N 1 2 282.347 2.223 20 30 CEEDLO CC(C)Cc1nnc(NC(=O)C[NH+]2CCCC2)s1 ZINC000040828206 362001702 /nfs/dbraw/zinc/00/17/02/362001702.db2.gz SUVNYTGOXLJPFC-UHFFFAOYSA-N 1 2 268.386 2.420 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000601716204 346886981 /nfs/dbraw/zinc/88/69/81/346886981.db2.gz VWDKGJUCFQJEPH-LLVKDONJSA-N 1 2 284.294 2.095 20 30 CEEDLO Cc1ncccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329419972 282195746 /nfs/dbraw/zinc/19/57/46/282195746.db2.gz FBKSLDZLSXWDCM-LLVKDONJSA-N 1 2 256.309 2.437 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000042454495 362097052 /nfs/dbraw/zinc/09/70/52/362097052.db2.gz IVTUJDVQIIZALL-UHFFFAOYSA-N 1 2 263.297 2.339 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000042454495 362097058 /nfs/dbraw/zinc/09/70/58/362097058.db2.gz IVTUJDVQIIZALL-UHFFFAOYSA-N 1 2 263.297 2.339 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000042293093 362078528 /nfs/dbraw/zinc/07/85/28/362078528.db2.gz FNYOAIIGHKTHNE-GJZGRUSLSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000042293093 362078532 /nfs/dbraw/zinc/07/85/32/362078532.db2.gz FNYOAIIGHKTHNE-GJZGRUSLSA-N 1 2 260.312 2.451 20 30 CEEDLO C=CCN(Cc1cccs1)C(=O)NCCn1cc[nH+]c1 ZINC000043312035 362144156 /nfs/dbraw/zinc/14/41/56/362144156.db2.gz LACIRRHDCZQWRW-UHFFFAOYSA-N 1 2 290.392 2.342 20 30 CEEDLO C[C@@H](CC#N)n1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000601936795 346932818 /nfs/dbraw/zinc/93/28/18/346932818.db2.gz UZXUXTMSYACDTO-ZFWWWQNUSA-N 1 2 296.374 2.009 20 30 CEEDLO C[C@@H](CC#N)n1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000601936795 346932822 /nfs/dbraw/zinc/93/28/22/346932822.db2.gz UZXUXTMSYACDTO-ZFWWWQNUSA-N 1 2 296.374 2.009 20 30 CEEDLO N#Cc1cccnc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000057147762 343625482 /nfs/dbraw/zinc/62/54/82/343625482.db2.gz HIFWUTPTDFFIAS-UHFFFAOYSA-N 1 2 279.347 2.065 20 30 CEEDLO C#CC[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000060462899 343659146 /nfs/dbraw/zinc/65/91/46/343659146.db2.gz YCDQYKFRYDLGJL-UHFFFAOYSA-N 1 2 279.727 2.003 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000064798436 343693227 /nfs/dbraw/zinc/69/32/27/343693227.db2.gz VJDJCERFOGYBCH-GXFFZTMASA-N 1 2 252.745 2.465 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000064798436 343693228 /nfs/dbraw/zinc/69/32/28/343693228.db2.gz VJDJCERFOGYBCH-GXFFZTMASA-N 1 2 252.745 2.465 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000064797079 343693443 /nfs/dbraw/zinc/69/34/43/343693443.db2.gz 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/nfs/dbraw/zinc/90/28/53/343902853.db2.gz ZNWGKSUYEFKLMJ-UHFFFAOYSA-N 1 2 295.386 2.169 20 30 CEEDLO Cc1ccc2occ(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1 ZINC000602332446 347012977 /nfs/dbraw/zinc/01/29/77/347012977.db2.gz KDGKBEJFXXSXOE-QGZVFWFLSA-N 1 2 299.374 2.244 20 30 CEEDLO Cc1cc(N)nc(SCCOc2ccccc2C#N)[nH+]1 ZINC000048834084 362306326 /nfs/dbraw/zinc/30/63/26/362306326.db2.gz WHQRMSOCJGZVCD-UHFFFAOYSA-N 1 2 286.360 2.410 20 30 CEEDLO N#Cc1cc2c(nc1NCCn1cc[nH+]c1)CCCC2 ZINC000049957077 362388400 /nfs/dbraw/zinc/38/84/00/362388400.db2.gz ATMHXQVUFLOWTP-UHFFFAOYSA-N 1 2 267.336 2.141 20 30 CEEDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1[nH]cc[nH+]1 ZINC000139868103 344395476 /nfs/dbraw/zinc/39/54/76/344395476.db2.gz OUUYQYPNJGQHBU-MRVPVSSYSA-N 1 2 257.253 2.363 20 30 CEEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000142076189 344402526 /nfs/dbraw/zinc/40/25/26/344402526.db2.gz MJABDSFRLLDAON-UHFFFAOYSA-N 1 2 287.363 2.259 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)[nH]c1C 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C[C@@]1(C#N)CC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000595834097 345890506 /nfs/dbraw/zinc/89/05/06/345890506.db2.gz JNYSIMWRGRXXKZ-WFASDCNBSA-N 1 2 294.782 2.315 20 30 CEEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)oc1C ZINC000595834441 345891415 /nfs/dbraw/zinc/89/14/15/345891415.db2.gz LFRPVJACONFQFS-AWEZNQCLSA-N 1 2 262.309 2.110 20 30 CEEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](C)(C#N)C2)oc1C ZINC000595834441 345891416 /nfs/dbraw/zinc/89/14/16/345891416.db2.gz LFRPVJACONFQFS-AWEZNQCLSA-N 1 2 262.309 2.110 20 30 CEEDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595837227 345893148 /nfs/dbraw/zinc/89/31/48/345893148.db2.gz FJNRGVLBPLNTDB-DZGCQCFKSA-N 1 2 265.401 2.115 20 30 CEEDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595837227 345893150 /nfs/dbraw/zinc/89/31/50/345893150.db2.gz FJNRGVLBPLNTDB-DZGCQCFKSA-N 1 2 265.401 2.115 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[C@H]3C2)c(C#N)c1C ZINC000595810827 345881539 /nfs/dbraw/zinc/88/15/39/345881539.db2.gz ONMFZVZRPUELAA-DRZSPHRISA-N 1 2 287.363 2.437 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[C@H]3C2)c(C#N)c1C ZINC000595810827 345881542 /nfs/dbraw/zinc/88/15/42/345881542.db2.gz ONMFZVZRPUELAA-DRZSPHRISA-N 1 2 287.363 2.437 20 30 CEEDLO CC[N@H+](CCC(=O)N(C)c1ccccc1)[C@H](C)C#N ZINC000595819591 345885660 /nfs/dbraw/zinc/88/56/60/345885660.db2.gz DCEQPIPRRDNPGK-CYBMUJFWSA-N 1 2 259.353 2.273 20 30 CEEDLO CC[N@@H+](CCC(=O)N(C)c1ccccc1)[C@H](C)C#N ZINC000595819591 345885662 /nfs/dbraw/zinc/88/56/62/345885662.db2.gz DCEQPIPRRDNPGK-CYBMUJFWSA-N 1 2 259.353 2.273 20 30 CEEDLO CCN(CCC[N@H+](CC)[C@@H](C)C#N)CC(F)(F)F ZINC000595821611 345886284 /nfs/dbraw/zinc/88/62/84/345886284.db2.gz XHZZBHGDPQZUKB-NSHDSACASA-N 1 2 265.323 2.495 20 30 CEEDLO CCN(CCC[N@@H+](CC)[C@@H](C)C#N)CC(F)(F)F ZINC000595821611 345886288 /nfs/dbraw/zinc/88/62/88/345886288.db2.gz XHZZBHGDPQZUKB-NSHDSACASA-N 1 2 265.323 2.495 20 30 CEEDLO CC[N@H+](CCC(=O)N1CCOc2ccccc21)[C@H](C)C#N ZINC000595821123 345886621 /nfs/dbraw/zinc/88/66/21/345886621.db2.gz UBMUPZZFPUPRMG-CYBMUJFWSA-N 1 2 287.363 2.036 20 30 CEEDLO CC[N@@H+](CCC(=O)N1CCOc2ccccc21)[C@H](C)C#N ZINC000595821123 345886623 /nfs/dbraw/zinc/88/66/23/345886623.db2.gz UBMUPZZFPUPRMG-CYBMUJFWSA-N 1 2 287.363 2.036 20 30 CEEDLO C=C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C(=O)OC ZINC000596051985 345928292 /nfs/dbraw/zinc/92/82/92/345928292.db2.gz WITBQUVLLWGSFF-MRVPVSSYSA-N 1 2 253.264 2.282 20 30 CEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)CC1=CCSC1 ZINC000595889266 345906896 /nfs/dbraw/zinc/90/68/96/345906896.db2.gz SXQBMGABVOLNEZ-UHFFFAOYSA-N 1 2 293.417 2.163 20 30 CEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)CC1=CCSC1 ZINC000595889266 345906901 /nfs/dbraw/zinc/90/69/01/345906901.db2.gz SXQBMGABVOLNEZ-UHFFFAOYSA-N 1 2 293.417 2.163 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@@](C)(C(F)F)O1 ZINC000595921882 345913737 /nfs/dbraw/zinc/91/37/37/345913737.db2.gz YZASNLYMFFMDDD-YGRLFVJLSA-N 1 2 281.306 2.198 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@@](C)(C(F)F)O1 ZINC000595921882 345913740 /nfs/dbraw/zinc/91/37/40/345913740.db2.gz YZASNLYMFFMDDD-YGRLFVJLSA-N 1 2 281.306 2.198 20 30 CEEDLO CCc1nc(C#N)cc(NCCCCNc2cccc[nH+]2)n1 ZINC000596104333 345940603 /nfs/dbraw/zinc/94/06/03/345940603.db2.gz JWBMGJHHQSBVBL-UHFFFAOYSA-N 1 2 296.378 2.032 20 30 CEEDLO Cc1ccc(C#N)nc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000596111995 345942602 /nfs/dbraw/zinc/94/26/02/345942602.db2.gz GVFJIJBUUJBASE-CQSZACIVSA-N 1 2 267.336 2.300 20 30 CEEDLO Cc1cc(NC[C@@H](O)[C@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000596548570 346052158 /nfs/dbraw/zinc/05/21/58/346052158.db2.gz SYAKTUVIHILADD-CXAGYDPISA-N 1 2 281.359 2.260 20 30 CEEDLO Cc1cc(N2C[C@]3(C)COC[C@]3(C)C2)c(C#N)c[nH+]1 ZINC000596444959 346026466 /nfs/dbraw/zinc/02/64/66/346026466.db2.gz ZBKNQBFCJWYSGF-GASCZTMLSA-N 1 2 257.337 2.125 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000597231115 346155745 /nfs/dbraw/zinc/15/57/45/346155745.db2.gz WODVWRPCVCINFG-HNNXBMFYSA-N 1 2 285.326 2.142 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000597231115 346155747 /nfs/dbraw/zinc/15/57/47/346155747.db2.gz WODVWRPCVCINFG-HNNXBMFYSA-N 1 2 285.326 2.142 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000597257584 346163335 /nfs/dbraw/zinc/16/33/35/346163335.db2.gz GTZPZNHMVPEETM-IOASZLSFSA-N 1 2 286.379 2.034 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597605364 346206617 /nfs/dbraw/zinc/20/66/17/346206617.db2.gz OQVZOIZDNYHASC-NSHDSACASA-N 1 2 295.346 2.067 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597605364 346206618 /nfs/dbraw/zinc/20/66/18/346206618.db2.gz OQVZOIZDNYHASC-NSHDSACASA-N 1 2 295.346 2.067 20 30 CEEDLO C[C@@H](CC#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000597466236 346189408 /nfs/dbraw/zinc/18/94/08/346189408.db2.gz FCOQUJLZBJJSGX-LBPRGKRZSA-N 1 2 268.320 2.038 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597860625 346240273 /nfs/dbraw/zinc/24/02/73/346240273.db2.gz AXVOCTLFKNMAJX-LSDHHAIUSA-N 1 2 280.331 2.043 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597860625 346240276 /nfs/dbraw/zinc/24/02/76/346240276.db2.gz AXVOCTLFKNMAJX-LSDHHAIUSA-N 1 2 280.331 2.043 20 30 CEEDLO Cc1cn2ccc(NC(=O)C3(C#N)CCC3)cc2[nH+]1 ZINC000598467969 346361704 /nfs/dbraw/zinc/36/17/04/346361704.db2.gz BGRZXSQRGMWLEU-UHFFFAOYSA-N 1 2 254.293 2.275 20 30 CEEDLO Cc1cc[nH+]c([C@H]2CCN(c3ncncc3C#N)C2)c1 ZINC000599101398 346460526 /nfs/dbraw/zinc/46/05/26/346460526.db2.gz PIXVLTAUQOAMJH-LBPRGKRZSA-N 1 2 265.320 2.046 20 30 CEEDLO N#Cc1ccc(NC[C@H]2CCC[N@H+]2CC(F)F)cn1 ZINC000599134118 346465060 /nfs/dbraw/zinc/46/50/60/346465060.db2.gz PJNLSAAMXJWVGG-GFCCVEGCSA-N 1 2 266.295 2.095 20 30 CEEDLO N#Cc1ccc(NC[C@H]2CCC[N@@H+]2CC(F)F)cn1 ZINC000599134118 346465063 /nfs/dbraw/zinc/46/50/63/346465063.db2.gz PJNLSAAMXJWVGG-GFCCVEGCSA-N 1 2 266.295 2.095 20 30 CEEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F ZINC000599161516 346469921 /nfs/dbraw/zinc/46/99/21/346469921.db2.gz QEEGLOCWSYDCKZ-NSHDSACASA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C#N)ccc1C(F)(F)F ZINC000599161516 346469925 /nfs/dbraw/zinc/46/99/25/346469925.db2.gz QEEGLOCWSYDCKZ-NSHDSACASA-N 1 2 299.296 2.320 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000599415619 346515556 /nfs/dbraw/zinc/51/55/56/346515556.db2.gz PSNRCLWRJDBAQX-SJORKVTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000599415619 346515559 /nfs/dbraw/zinc/51/55/59/346515559.db2.gz PSNRCLWRJDBAQX-SJORKVTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1nnc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)o1 ZINC000599465589 346524502 /nfs/dbraw/zinc/52/45/02/346524502.db2.gz MEWYDYHMLRDWRO-UHFFFAOYSA-N 1 2 256.309 2.190 20 30 CEEDLO Cc1nnc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)o1 ZINC000599465589 346524505 /nfs/dbraw/zinc/52/45/05/346524505.db2.gz MEWYDYHMLRDWRO-UHFFFAOYSA-N 1 2 256.309 2.190 20 30 CEEDLO CN(C(=O)Cc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000063326211 362764239 /nfs/dbraw/zinc/76/42/39/362764239.db2.gz VZYBCMSLBSVRHY-UHFFFAOYSA-N 1 2 290.326 2.411 20 30 CEEDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCOCCC#N)C2 ZINC000599526252 346532136 /nfs/dbraw/zinc/53/21/36/346532136.db2.gz IRQYPPCVLVNETD-UHFFFAOYSA-N 1 2 288.395 2.062 20 30 CEEDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCOCCC#N)C2 ZINC000599526252 346532139 /nfs/dbraw/zinc/53/21/39/346532139.db2.gz IRQYPPCVLVNETD-UHFFFAOYSA-N 1 2 288.395 2.062 20 30 CEEDLO C[C@H](CCC#N)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000602612267 347101691 /nfs/dbraw/zinc/10/16/91/347101691.db2.gz HEKOUMKKLONQTL-OCCSQVGLSA-N 1 2 269.352 2.424 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000600152502 346607836 /nfs/dbraw/zinc/60/78/36/346607836.db2.gz BALZICAEIKLZLF-GDBMZVCRSA-N 1 2 291.391 2.432 20 30 CEEDLO COC(=O)C1C[C@H](C)[NH+](Cc2ccncc2C#N)[C@@H](C)C1 ZINC000599689475 346567079 /nfs/dbraw/zinc/56/70/79/346567079.db2.gz FVSNIIOWYLRBJY-RYUDHWBXSA-N 1 2 287.363 2.115 20 30 CEEDLO CO[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000356298233 370648350 /nfs/dbraw/zinc/64/83/50/370648350.db2.gz GMCFYFPBEJAHQO-GXSJLCMTSA-N 1 2 251.355 2.014 20 30 CEEDLO CO[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000356298233 370648354 /nfs/dbraw/zinc/64/83/54/370648354.db2.gz GMCFYFPBEJAHQO-GXSJLCMTSA-N 1 2 251.355 2.014 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CNc3cnn4c3CCCC4)n2c1 ZINC000601150852 346770789 /nfs/dbraw/zinc/77/07/89/346770789.db2.gz GDFAOCCTWJJEML-UHFFFAOYSA-N 1 2 292.346 2.351 20 30 CEEDLO C[C@H](C#N)CN(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601011152 346731668 /nfs/dbraw/zinc/73/16/68/346731668.db2.gz UEGXQOAHDOYLBX-CYBMUJFWSA-N 1 2 282.347 2.033 20 30 CEEDLO CCC[C@H](C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601027611 346735459 /nfs/dbraw/zinc/73/54/59/346735459.db2.gz WXEZBSMTBYTSCT-CQSZACIVSA-N 1 2 282.347 2.223 20 30 CEEDLO COCC1(C2CC2)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000601227855 346795591 /nfs/dbraw/zinc/79/55/91/346795591.db2.gz XOWRASBDNBPRDQ-UHFFFAOYSA-N 1 2 257.337 2.125 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000602698865 347154348 /nfs/dbraw/zinc/15/43/48/347154348.db2.gz AGAYFQKJGQEFHI-CYBMUJFWSA-N 1 2 297.337 2.174 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000602698865 347154350 /nfs/dbraw/zinc/15/43/50/347154350.db2.gz AGAYFQKJGQEFHI-CYBMUJFWSA-N 1 2 297.337 2.174 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccnc(OC)c1)C(=O)OC ZINC000602733024 347176879 /nfs/dbraw/zinc/17/68/79/347176879.db2.gz GYHFHEQKGCGQOF-JSGCOSHPSA-N 1 2 292.379 2.119 20 30 CEEDLO Cc1cccc2nc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)cn21 ZINC000602858630 347227421 /nfs/dbraw/zinc/22/74/21/347227421.db2.gz UBEQPADTWJIWCB-HUUCEWRRSA-N 1 2 297.406 2.061 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000602860197 347228215 /nfs/dbraw/zinc/22/82/15/347228215.db2.gz ACUCUOLOWVCTFC-BBRMVZONSA-N 1 2 285.391 2.414 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000602871807 347232970 /nfs/dbraw/zinc/23/29/70/347232970.db2.gz XFZLZUVJJJPGJP-NEPJUHHUSA-N 1 2 297.362 2.295 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000602943097 347253216 /nfs/dbraw/zinc/25/32/16/347253216.db2.gz OLURPPUFDRDYBT-UHFFFAOYSA-N 1 2 254.337 2.416 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000602943097 347253218 /nfs/dbraw/zinc/25/32/18/347253218.db2.gz OLURPPUFDRDYBT-UHFFFAOYSA-N 1 2 254.337 2.416 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000602893724 347239803 /nfs/dbraw/zinc/23/98/03/347239803.db2.gz FGKUYOUUGMLDNC-UHFFFAOYSA-N 1 2 297.362 2.326 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602981502 347264887 /nfs/dbraw/zinc/26/48/87/347264887.db2.gz FEVZCFKNLKSQGG-IUODEOHRSA-N 1 2 287.363 2.382 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602981502 347264889 /nfs/dbraw/zinc/26/48/89/347264889.db2.gz FEVZCFKNLKSQGG-IUODEOHRSA-N 1 2 287.363 2.382 20 30 CEEDLO Cc1nc(N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc[nH+]1 ZINC000603402880 347360132 /nfs/dbraw/zinc/36/01/32/347360132.db2.gz FDHITJWATVQOHY-MRXNPFEDSA-N 1 2 293.374 2.372 20 30 CEEDLO Cc1nc(N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc[nH+]1 ZINC000603402877 347360055 /nfs/dbraw/zinc/36/00/55/347360055.db2.gz FDHITJWATVQOHY-INIZCTEOSA-N 1 2 293.374 2.372 20 30 CEEDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000604492813 347417968 /nfs/dbraw/zinc/41/79/68/347417968.db2.gz XXDQTNYSWNENFD-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000604492813 347417970 /nfs/dbraw/zinc/41/79/70/347417970.db2.gz XXDQTNYSWNENFD-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO N#Cc1cc2c(nc1N1CCC[C@H](n3cc[nH+]c3)C1)CCC2 ZINC000609132962 347626796 /nfs/dbraw/zinc/62/67/96/347626796.db2.gz ZZICMSSNWKEOLE-HNNXBMFYSA-N 1 2 293.374 2.480 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000609545506 347642692 /nfs/dbraw/zinc/64/26/92/347642692.db2.gz RDLLIACNGFDYIM-PWSUYJOCSA-N 1 2 277.755 2.337 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000609892489 347655293 /nfs/dbraw/zinc/65/52/93/347655293.db2.gz IQVDWJKKESPETN-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000609892489 347655296 /nfs/dbraw/zinc/65/52/96/347655296.db2.gz IQVDWJKKESPETN-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000610088105 347660094 /nfs/dbraw/zinc/66/00/94/347660094.db2.gz RLHLXFWXUDFPNK-MFKMUULPSA-N 1 2 277.755 2.337 20 30 CEEDLO C[C@@H](CC#N)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000610856427 347717994 /nfs/dbraw/zinc/71/79/94/347717994.db2.gz KCVNJLCYQMTCHP-QMMMGPOBSA-N 1 2 252.701 2.460 20 30 CEEDLO CN1Cc2ccccc2[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000611131594 347742397 /nfs/dbraw/zinc/74/23/97/347742397.db2.gz RDYQKBLBLVVCDW-CJNGLKHVSA-N 1 2 268.364 2.206 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000611237197 347755887 /nfs/dbraw/zinc/75/58/87/347755887.db2.gz BCFLVYGTYROZAQ-GHMZBOCLSA-N 1 2 285.413 2.253 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000611237197 347755891 /nfs/dbraw/zinc/75/58/91/347755891.db2.gz BCFLVYGTYROZAQ-GHMZBOCLSA-N 1 2 285.413 2.253 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000612159517 347851549 /nfs/dbraw/zinc/85/15/49/347851549.db2.gz VWPVUAJAKAQMNC-HNAYVOBHSA-N 1 2 276.405 2.420 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000612159517 347851550 /nfs/dbraw/zinc/85/15/50/347851550.db2.gz VWPVUAJAKAQMNC-HNAYVOBHSA-N 1 2 276.405 2.420 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167964 347853316 /nfs/dbraw/zinc/85/33/16/347853316.db2.gz ZYNCTXDDRKZBAW-YOEHRIQHSA-N 1 2 285.391 2.317 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167964 347853320 /nfs/dbraw/zinc/85/33/20/347853320.db2.gz ZYNCTXDDRKZBAW-YOEHRIQHSA-N 1 2 285.391 2.317 20 30 CEEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)NC(C)(C)C ZINC000130093720 365923971 /nfs/dbraw/zinc/92/39/71/365923971.db2.gz SJDBXOLIWLCDEX-UHFFFAOYSA-N 1 2 276.355 2.024 20 30 CEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)NC(C)(C)C ZINC000130093720 365923980 /nfs/dbraw/zinc/92/39/80/365923980.db2.gz SJDBXOLIWLCDEX-UHFFFAOYSA-N 1 2 276.355 2.024 20 30 CEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)o1 ZINC000614405728 348194795 /nfs/dbraw/zinc/19/47/95/348194795.db2.gz FPKCJVMNFLCTRY-SNVBAGLBSA-N 1 2 256.309 2.409 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000066215718 362857289 /nfs/dbraw/zinc/85/72/89/362857289.db2.gz WUEULAXPFBYJCE-UHFFFAOYSA-N 1 2 288.347 2.086 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351939612 219257789 /nfs/dbraw/zinc/25/77/89/219257789.db2.gz VQXFVAVSYHQIJS-FMTVUPSXSA-N 1 2 262.378 2.072 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000351939612 219257790 /nfs/dbraw/zinc/25/77/90/219257790.db2.gz VQXFVAVSYHQIJS-FMTVUPSXSA-N 1 2 262.378 2.072 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559417 362872584 /nfs/dbraw/zinc/87/25/84/362872584.db2.gz QLNWQZSTJAIPLC-CQSZACIVSA-N 1 2 283.368 2.001 20 30 CEEDLO C=CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559417 362872592 /nfs/dbraw/zinc/87/25/92/362872592.db2.gz QLNWQZSTJAIPLC-CQSZACIVSA-N 1 2 283.368 2.001 20 30 CEEDLO C=CCNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000623337324 349991539 /nfs/dbraw/zinc/99/15/39/349991539.db2.gz DYTBIVDEBXHLLE-UHFFFAOYSA-N 1 2 298.390 2.181 20 30 CEEDLO Cc1cc(C#N)ccc1C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000616821201 348577771 /nfs/dbraw/zinc/57/77/71/348577771.db2.gz YLNBJESLGKXCNV-STQMWFEESA-N 1 2 276.405 2.208 20 30 CEEDLO COc1ccc(Cl)c(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000616768737 348572777 /nfs/dbraw/zinc/57/27/77/348572777.db2.gz HLYWGAXMEIGVCQ-UHFFFAOYSA-N 1 2 293.798 2.380 20 30 CEEDLO CC(C)(C#N)CCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000618308073 348923582 /nfs/dbraw/zinc/92/35/82/348923582.db2.gz KVNANSONWKDDDB-LLVKDONJSA-N 1 2 260.328 2.408 20 30 CEEDLO CC(C)(C#N)CCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000618308073 348923584 /nfs/dbraw/zinc/92/35/84/348923584.db2.gz KVNANSONWKDDDB-LLVKDONJSA-N 1 2 260.328 2.408 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1ccc(F)cc1 ZINC000619716785 349226387 /nfs/dbraw/zinc/22/63/87/349226387.db2.gz HVCWLAAHSMDTIG-CYBMUJFWSA-N 1 2 251.301 2.028 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1ccc(F)cc1 ZINC000619716785 349226389 /nfs/dbraw/zinc/22/63/89/349226389.db2.gz HVCWLAAHSMDTIG-CYBMUJFWSA-N 1 2 251.301 2.028 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1ccccc1Cl ZINC000619715728 349226415 /nfs/dbraw/zinc/22/64/15/349226415.db2.gz DXEMQOIKTLGDIP-LBPRGKRZSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccccc1Cl ZINC000619715728 349226417 /nfs/dbraw/zinc/22/64/17/349226417.db2.gz DXEMQOIKTLGDIP-LBPRGKRZSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000619719594 349228146 /nfs/dbraw/zinc/22/81/46/349228146.db2.gz NSJDFTPAMDODHI-HNNXBMFYSA-N 1 2 299.374 2.470 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000619553280 349198707 /nfs/dbraw/zinc/19/87/07/349198707.db2.gz NIKSULJBSDZYGM-UHFFFAOYSA-N 1 2 270.292 2.173 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000129706665 187448300 /nfs/dbraw/zinc/44/83/00/187448300.db2.gz QXPFTDVHQOVDEM-LBPRGKRZSA-N 1 2 260.337 2.330 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000129706665 187448302 /nfs/dbraw/zinc/44/83/02/187448302.db2.gz QXPFTDVHQOVDEM-LBPRGKRZSA-N 1 2 260.337 2.330 20 30 CEEDLO Cn1cccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000336518271 213396650 /nfs/dbraw/zinc/39/66/50/213396650.db2.gz CEGWVAONAMWMBW-QGZVFWFLSA-N 1 2 281.359 2.470 20 30 CEEDLO Cn1cccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000336518271 213396652 /nfs/dbraw/zinc/39/66/52/213396652.db2.gz CEGWVAONAMWMBW-QGZVFWFLSA-N 1 2 281.359 2.470 20 30 CEEDLO CN(Cc1ccc(N)[nH+]c1)c1ncc(C#N)cc1Cl ZINC000135982965 187859495 /nfs/dbraw/zinc/85/94/95/187859495.db2.gz LDYCGJVNOMLDGG-UHFFFAOYSA-N 1 2 273.727 2.220 20 30 CEEDLO Cc1cnc(CC[N@@H+](C)C[C@@H](C#N)CCC#N)s1 ZINC000157579318 188326001 /nfs/dbraw/zinc/32/60/01/188326001.db2.gz XCGKZTIKYADCOK-GFCCVEGCSA-N 1 2 262.382 2.369 20 30 CEEDLO Cc1cnc(CC[N@H+](C)C[C@@H](C#N)CCC#N)s1 ZINC000157579318 188326002 /nfs/dbraw/zinc/32/60/02/188326002.db2.gz XCGKZTIKYADCOK-GFCCVEGCSA-N 1 2 262.382 2.369 20 30 CEEDLO C#CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1 ZINC000271702046 191282970 /nfs/dbraw/zinc/28/29/70/191282970.db2.gz MRCLOMGZFSAZKQ-OAHLLOKOSA-N 1 2 258.365 2.255 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1F ZINC000352371507 219426680 /nfs/dbraw/zinc/42/66/80/219426680.db2.gz JLZZYULCVAELOH-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1F ZINC000352371507 219426682 /nfs/dbraw/zinc/42/66/82/219426682.db2.gz JLZZYULCVAELOH-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000132349228 366137506 /nfs/dbraw/zinc/13/75/06/366137506.db2.gz YUZKJQMHMMLMSX-AWEZNQCLSA-N 1 2 273.380 2.103 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000132349228 366137511 /nfs/dbraw/zinc/13/75/11/366137511.db2.gz YUZKJQMHMMLMSX-AWEZNQCLSA-N 1 2 273.380 2.103 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081931 540099300 /nfs/dbraw/zinc/09/93/00/540099300.db2.gz FBPIZILFPROOIA-GFCCVEGCSA-N 1 2 274.368 2.142 20 30 CEEDLO C=CCCCN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000076946471 363544867 /nfs/dbraw/zinc/54/48/67/363544867.db2.gz MGGUMFBXKVIKFS-UHFFFAOYSA-N 1 2 290.411 2.370 20 30 CEEDLO C(#Cc1ccccc1)C[NH+]1CCN(c2nccs2)CC1 ZINC000145050119 538819721 /nfs/dbraw/zinc/81/97/21/538819721.db2.gz PQYYKXXLAJDTSY-UHFFFAOYSA-N 1 2 283.400 2.317 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)nc1 ZINC000577861697 366409467 /nfs/dbraw/zinc/40/94/67/366409467.db2.gz KAXSGNNENFPYSP-UHFFFAOYSA-N 1 2 281.315 2.053 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)nc1 ZINC000577861697 366409473 /nfs/dbraw/zinc/40/94/73/366409473.db2.gz KAXSGNNENFPYSP-UHFFFAOYSA-N 1 2 281.315 2.053 20 30 CEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000578019032 366432616 /nfs/dbraw/zinc/43/26/16/366432616.db2.gz HQOKBIPSDPVQTK-LLVKDONJSA-N 1 2 298.346 2.100 20 30 CEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1cncc(C#N)n1 ZINC000578431769 366491810 /nfs/dbraw/zinc/49/18/10/366491810.db2.gz GQMNAMFZWNFFOJ-ZDUSSCGKSA-N 1 2 282.351 2.296 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000578639642 366526039 /nfs/dbraw/zinc/52/60/39/366526039.db2.gz DHYXNPXVDDEPFF-AAEUAGOBSA-N 1 2 270.336 2.167 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000080059014 363641193 /nfs/dbraw/zinc/64/11/93/363641193.db2.gz GSXDRUHRFPPDPM-GFCCVEGCSA-N 1 2 284.363 2.353 20 30 CEEDLO C=CC[C@@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000316349233 540478289 /nfs/dbraw/zinc/47/82/89/540478289.db2.gz NCKOYKCOHLTTHB-VIFPVBQESA-N 1 2 286.173 2.205 20 30 CEEDLO Cc1cc(N[C@H]2CCO[C@]3(CCSC3)C2)c(C#N)c[nH+]1 ZINC000571040723 299291321 /nfs/dbraw/zinc/29/13/21/299291321.db2.gz DJHKINSHVJRIGX-DZGCQCFKSA-N 1 2 289.404 2.150 20 30 CEEDLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)cc(C#N)n1 ZINC000341742306 216086052 /nfs/dbraw/zinc/08/60/52/216086052.db2.gz MKFNZFCHUXRDKK-UHFFFAOYSA-N 1 2 267.336 2.335 20 30 CEEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000579195627 366607846 /nfs/dbraw/zinc/60/78/46/366607846.db2.gz MQGWVXWFOPBOTF-QWHCGFSZSA-N 1 2 286.383 2.270 20 30 CEEDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000579205325 366609338 /nfs/dbraw/zinc/60/93/38/366609338.db2.gz BTTVPHXLFVZPHR-CYBMUJFWSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000579205325 366609339 /nfs/dbraw/zinc/60/93/39/366609339.db2.gz BTTVPHXLFVZPHR-CYBMUJFWSA-N 1 2 285.326 2.113 20 30 CEEDLO CCN(CC)C(=O)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000176991193 189019563 /nfs/dbraw/zinc/01/95/63/189019563.db2.gz LIJPNXQQTDTSHT-UHFFFAOYSA-N 1 2 292.810 2.492 20 30 CEEDLO CCN(CC)C(=O)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000176991193 189019564 /nfs/dbraw/zinc/01/95/64/189019564.db2.gz LIJPNXQQTDTSHT-UHFFFAOYSA-N 1 2 292.810 2.492 20 30 CEEDLO Cn1cnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000571468723 299311949 /nfs/dbraw/zinc/31/19/49/299311949.db2.gz BHZHOTHIVOKXNS-HNNXBMFYSA-N 1 2 281.363 2.244 20 30 CEEDLO C#CCCCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000179721258 189215888 /nfs/dbraw/zinc/21/58/88/189215888.db2.gz RSRGCGBBBOWXLB-UHFFFAOYSA-N 1 2 285.391 2.492 20 30 CEEDLO Cc1ccn2cc(CNC(=O)c3cccc(C#N)c3)[nH+]c2c1 ZINC000342259690 216282708 /nfs/dbraw/zinc/28/27/08/216282708.db2.gz AUIFWMNUWOMKLF-UHFFFAOYSA-N 1 2 290.326 2.444 20 30 CEEDLO C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCSCC1 ZINC000152124769 366690109 /nfs/dbraw/zinc/69/01/09/366690109.db2.gz RJHYRKIOCLANEL-SNVBAGLBSA-N 1 2 293.367 2.073 20 30 CEEDLO N#Cc1cnc(C[N@@H+]2CC[C@H]2Cc2ccccc2)nc1 ZINC000579816322 366706509 /nfs/dbraw/zinc/70/65/09/366706509.db2.gz UHOGEWROVLMOCI-HNNXBMFYSA-N 1 2 264.332 2.165 20 30 CEEDLO N#Cc1cnc(C[N@H+]2CC[C@H]2Cc2ccccc2)nc1 ZINC000579816322 366706516 /nfs/dbraw/zinc/70/65/16/366706516.db2.gz UHOGEWROVLMOCI-HNNXBMFYSA-N 1 2 264.332 2.165 20 30 CEEDLO Cc1c[nH+]ccc1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000301861459 201237186 /nfs/dbraw/zinc/23/71/86/201237186.db2.gz TZOGALKBZNEPEQ-UHFFFAOYSA-N 1 2 283.291 2.220 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CCCSCC2)c(C#N)c1C ZINC000089980965 364026277 /nfs/dbraw/zinc/02/62/77/364026277.db2.gz DJKLNCWDMRXDEC-UHFFFAOYSA-N 1 2 293.392 2.146 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CCCSCC2)c(C#N)c1C ZINC000089980965 364026280 /nfs/dbraw/zinc/02/62/80/364026280.db2.gz DJKLNCWDMRXDEC-UHFFFAOYSA-N 1 2 293.392 2.146 20 30 CEEDLO N#Cc1ccsc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334650209 364133940 /nfs/dbraw/zinc/13/39/40/364133940.db2.gz FRKOFXLWQFFNOI-UHFFFAOYSA-N 1 2 272.333 2.405 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccccc1C#N ZINC000103469495 364658268 /nfs/dbraw/zinc/65/82/68/364658268.db2.gz AMKDERHOUTVPOE-UHFFFAOYSA-N 1 2 270.336 2.122 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccccc1C#N ZINC000103469495 364658273 /nfs/dbraw/zinc/65/82/73/364658273.db2.gz AMKDERHOUTVPOE-UHFFFAOYSA-N 1 2 270.336 2.122 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)N1CCC(CCC#N)CC1 ZINC000335393055 364698630 /nfs/dbraw/zinc/69/86/30/364698630.db2.gz AZBAZFBYLWJGLK-UHFFFAOYSA-N 1 2 272.352 2.360 20 30 CEEDLO N#CCCC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000335500476 364792663 /nfs/dbraw/zinc/79/26/63/364792663.db2.gz HLKZMCCUOKYUCH-UHFFFAOYSA-N 1 2 282.347 2.490 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000335781080 364973848 /nfs/dbraw/zinc/97/38/48/364973848.db2.gz KNDLTLHHVAMCPT-SNVBAGLBSA-N 1 2 286.360 2.363 20 30 CEEDLO Cc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000115531459 365010763 /nfs/dbraw/zinc/01/07/63/365010763.db2.gz XDSONMRKNUZECM-OAHLLOKOSA-N 1 2 283.331 2.118 20 30 CEEDLO Cc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000115531459 365010766 /nfs/dbraw/zinc/01/07/66/365010766.db2.gz XDSONMRKNUZECM-OAHLLOKOSA-N 1 2 283.331 2.118 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)c(Cl)c1 ZINC000335572987 212283596 /nfs/dbraw/zinc/28/35/96/212283596.db2.gz WHWAYYATBNVDLD-LBPRGKRZSA-N 1 2 282.796 2.121 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(Cl)c1 ZINC000335572987 212283598 /nfs/dbraw/zinc/28/35/98/212283598.db2.gz WHWAYYATBNVDLD-LBPRGKRZSA-N 1 2 282.796 2.121 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000119459605 365276304 /nfs/dbraw/zinc/27/63/04/365276304.db2.gz ZJZRKDDBELBWLQ-UHFFFAOYSA-N 1 2 282.343 2.214 20 30 CEEDLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000159063015 366873579 /nfs/dbraw/zinc/87/35/79/366873579.db2.gz IZEJTGVKIPFPFG-GFCCVEGCSA-N 1 2 260.337 2.332 20 30 CEEDLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000159063015 366873583 /nfs/dbraw/zinc/87/35/83/366873583.db2.gz IZEJTGVKIPFPFG-GFCCVEGCSA-N 1 2 260.337 2.332 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000120535119 365438735 /nfs/dbraw/zinc/43/87/35/365438735.db2.gz HHMDPIOQYWTGJC-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000120535119 365438738 /nfs/dbraw/zinc/43/87/38/365438738.db2.gz HHMDPIOQYWTGJC-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275808296 193133963 /nfs/dbraw/zinc/13/39/63/193133963.db2.gz ZHHPFGOUEUYPIB-CHWSQXEVSA-N 1 2 284.363 2.239 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)nc1 ZINC000583638701 367076383 /nfs/dbraw/zinc/07/63/83/367076383.db2.gz HCHYCUUFIPLLCJ-CQSZACIVSA-N 1 2 253.309 2.013 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)nc1 ZINC000583638701 367076386 /nfs/dbraw/zinc/07/63/86/367076386.db2.gz HCHYCUUFIPLLCJ-CQSZACIVSA-N 1 2 253.309 2.013 20 30 CEEDLO C=CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000584063714 367138346 /nfs/dbraw/zinc/13/83/46/367138346.db2.gz ZRRWNDQYGZCCAB-ZDUSSCGKSA-N 1 2 261.369 2.308 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000602865184 367217229 /nfs/dbraw/zinc/21/72/29/367217229.db2.gz XKQHOQMVWQBFLD-QWRGUYRKSA-N 1 2 295.333 2.376 20 30 CEEDLO Cc1c[nH+]c(CN(CCC#N)Cc2cccnc2)n1C ZINC000342793672 367539800 /nfs/dbraw/zinc/53/98/00/367539800.db2.gz RPZKWCTWPZHRJC-UHFFFAOYSA-N 1 2 269.352 2.039 20 30 CEEDLO CC(C)Cn1ccnc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174455070 368024111 /nfs/dbraw/zinc/02/41/11/368024111.db2.gz XGVUCSVCKZYKJT-UHFFFAOYSA-N 1 2 258.325 2.294 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNCc1ccc(C#N)o1 ZINC000174455070 368024120 /nfs/dbraw/zinc/02/41/20/368024120.db2.gz XGVUCSVCKZYKJT-UHFFFAOYSA-N 1 2 258.325 2.294 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C#N)s1 ZINC000189032811 284046280 /nfs/dbraw/zinc/04/62/80/284046280.db2.gz VSFKMRRXYNGMRQ-CQSZACIVSA-N 1 2 277.393 2.110 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000189032811 284046282 /nfs/dbraw/zinc/04/62/82/284046282.db2.gz VSFKMRRXYNGMRQ-CQSZACIVSA-N 1 2 277.393 2.110 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000186399692 368970062 /nfs/dbraw/zinc/97/00/62/368970062.db2.gz FHXHDIGWKLOSDE-OAHLLOKOSA-N 1 2 276.311 2.225 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000186399692 368970068 /nfs/dbraw/zinc/97/00/68/368970068.db2.gz FHXHDIGWKLOSDE-OAHLLOKOSA-N 1 2 276.311 2.225 20 30 CEEDLO Cc1[nH+]cccc1Cc1noc([C@@]2(C#N)C[C@H]2C)n1 ZINC000351236814 369629724 /nfs/dbraw/zinc/62/97/24/369629724.db2.gz QCGRDZVTFCRDMI-YMTOWFKASA-N 1 2 254.293 2.165 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000192067697 369771097 /nfs/dbraw/zinc/77/10/97/369771097.db2.gz MVLTXTZJAHQFFO-JKSUJKDBSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000192067697 369771100 /nfs/dbraw/zinc/77/11/00/369771100.db2.gz MVLTXTZJAHQFFO-JKSUJKDBSA-N 1 2 290.338 2.077 20 30 CEEDLO C#CCCCC(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000192378196 369804975 /nfs/dbraw/zinc/80/49/75/369804975.db2.gz NCQAZIJLWVHUEU-UHFFFAOYSA-N 1 2 297.362 2.330 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000192226052 369782600 /nfs/dbraw/zinc/78/26/00/369782600.db2.gz QJKCWKLJEDZSOP-SECBINFHSA-N 1 2 275.377 2.227 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000192226052 369782605 /nfs/dbraw/zinc/78/26/05/369782605.db2.gz QJKCWKLJEDZSOP-SECBINFHSA-N 1 2 275.377 2.227 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000192238629 369783833 /nfs/dbraw/zinc/78/38/33/369783833.db2.gz VYOPAJVKLRZCRW-UHFFFAOYSA-N 1 2 264.756 2.460 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000192238629 369783836 /nfs/dbraw/zinc/78/38/36/369783836.db2.gz VYOPAJVKLRZCRW-UHFFFAOYSA-N 1 2 264.756 2.460 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1nc(C#N)cs1 ZINC000352854089 369913963 /nfs/dbraw/zinc/91/39/63/369913963.db2.gz PSWHFHPSKBFJSP-VXGBXAGGSA-N 1 2 278.425 2.367 20 30 CEEDLO CC(C)[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000353154193 370043481 /nfs/dbraw/zinc/04/34/81/370043481.db2.gz RRWPOUBBSKXPNN-OAHLLOKOSA-N 1 2 284.363 2.063 20 30 CEEDLO CC(C)[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000353154193 370043484 /nfs/dbraw/zinc/04/34/84/370043484.db2.gz RRWPOUBBSKXPNN-OAHLLOKOSA-N 1 2 284.363 2.063 20 30 CEEDLO CC(C)[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000353154193 370043488 /nfs/dbraw/zinc/04/34/88/370043488.db2.gz RRWPOUBBSKXPNN-OAHLLOKOSA-N 1 2 284.363 2.063 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C#N)s3)[C@H]2C1 ZINC000247287932 371088272 /nfs/dbraw/zinc/08/82/72/371088272.db2.gz YYXKJSWLACHMTB-BYCMXARLSA-N 1 2 292.404 2.388 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C#N)s3)[C@H]2C1 ZINC000247287932 371088280 /nfs/dbraw/zinc/08/82/80/371088280.db2.gz YYXKJSWLACHMTB-BYCMXARLSA-N 1 2 292.404 2.388 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250352845 371382425 /nfs/dbraw/zinc/38/24/25/371382425.db2.gz LSIPNPLSIJSYMM-AGIUHOORSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250352845 371382428 /nfs/dbraw/zinc/38/24/28/371382428.db2.gz LSIPNPLSIJSYMM-AGIUHOORSA-N 1 2 253.390 2.161 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000639727092 371521652 /nfs/dbraw/zinc/52/16/52/371521652.db2.gz JGNYRMRVZQINGB-NXEZZACHSA-N 1 2 256.309 2.026 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000264186534 371984587 /nfs/dbraw/zinc/98/45/87/371984587.db2.gz CZZOXYQMEWSMQD-LBPRGKRZSA-N 1 2 287.363 2.309 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000264186534 371984592 /nfs/dbraw/zinc/98/45/92/371984592.db2.gz CZZOXYQMEWSMQD-LBPRGKRZSA-N 1 2 287.363 2.309 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1Cl ZINC000263757938 371948250 /nfs/dbraw/zinc/94/82/50/371948250.db2.gz XSUWTKBSQFERFN-VXGBXAGGSA-N 1 2 282.771 2.171 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1Cl ZINC000263757938 371948257 /nfs/dbraw/zinc/94/82/57/371948257.db2.gz XSUWTKBSQFERFN-VXGBXAGGSA-N 1 2 282.771 2.171 20 30 CEEDLO CCC1CCC([NH2+]CCCC#N)(C(=O)OC)CC1 ZINC000361867424 372108174 /nfs/dbraw/zinc/10/81/74/372108174.db2.gz GHLCXPFPIYNTJW-UHFFFAOYSA-N 1 2 252.358 2.392 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000268549254 372132277 /nfs/dbraw/zinc/13/22/77/372132277.db2.gz MXCCCVRGVNUTFK-HUUCEWRRSA-N 1 2 277.364 2.160 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000268549254 372132281 /nfs/dbraw/zinc/13/22/81/372132281.db2.gz MXCCCVRGVNUTFK-HUUCEWRRSA-N 1 2 277.364 2.160 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2cccc(F)c2)nn1 ZINC000640992039 372206191 /nfs/dbraw/zinc/20/61/91/372206191.db2.gz RHCOOTJMLZTVOQ-LBPRGKRZSA-N 1 2 272.327 2.139 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(CC)c2)nn1 ZINC000641066682 372270203 /nfs/dbraw/zinc/27/02/03/372270203.db2.gz JTQBLJXOERUPCA-UHFFFAOYSA-N 1 2 268.364 2.002 20 30 CEEDLO C#CCNC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270145681 372677472 /nfs/dbraw/zinc/67/74/72/372677472.db2.gz TWXSTRJMGYMCKF-AWEZNQCLSA-N 1 2 296.374 2.152 20 30 CEEDLO C#CCCC[NH2+]c1ccc(OC)c(-n2nnnc2C2CC2)c1 ZINC000270912760 373011832 /nfs/dbraw/zinc/01/18/32/373011832.db2.gz MDHNQBWCQIKJLO-UHFFFAOYSA-N 1 2 297.362 2.374 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C(C)C ZINC000366844330 373126534 /nfs/dbraw/zinc/12/65/34/373126534.db2.gz IZXIDKXSOSWHQL-LSDHHAIUSA-N 1 2 285.391 2.072 20 30 CEEDLO C=CC[C@H](CC)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000366898862 373128521 /nfs/dbraw/zinc/12/85/21/373128521.db2.gz ZQTACOPMDWIFIV-AWEZNQCLSA-N 1 2 280.412 2.102 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000271189311 373170816 /nfs/dbraw/zinc/17/08/16/373170816.db2.gz KZKYGQKBGQSZHI-YRVVQQKDSA-N 1 2 291.416 2.040 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000271189311 373170824 /nfs/dbraw/zinc/17/08/24/373170824.db2.gz KZKYGQKBGQSZHI-YRVVQQKDSA-N 1 2 291.416 2.040 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ncccc2C(F)(F)F)nn1 ZINC000643794479 373267939 /nfs/dbraw/zinc/26/79/39/373267939.db2.gz SIKALKLZGZPWHD-UHFFFAOYSA-N 1 2 297.284 2.168 20 30 CEEDLO C#CC[C@@H]([NH2+]Cc1nc(COC)no1)c1ccccc1 ZINC000272279293 373404090 /nfs/dbraw/zinc/40/40/90/373404090.db2.gz QEDLMLVKBJFQPS-CYBMUJFWSA-N 1 2 271.320 2.070 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC=C(F)C1 ZINC000272566172 373555951 /nfs/dbraw/zinc/55/59/51/373555951.db2.gz UTOLNSGWGZINIW-GFCCVEGCSA-N 1 2 252.333 2.135 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC=C(F)C1 ZINC000272566172 373555955 /nfs/dbraw/zinc/55/59/55/373555955.db2.gz UTOLNSGWGZINIW-GFCCVEGCSA-N 1 2 252.333 2.135 20 30 CEEDLO C#CCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000274195387 373838845 /nfs/dbraw/zinc/83/88/45/373838845.db2.gz PISUPEBGNXVPCU-CYBMUJFWSA-N 1 2 291.420 2.160 20 30 CEEDLO CSCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371291566 373832132 /nfs/dbraw/zinc/83/21/32/373832132.db2.gz JWBTYCJYAAFDCZ-CQSZACIVSA-N 1 2 262.378 2.295 20 30 CEEDLO CSCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371291566 373832137 /nfs/dbraw/zinc/83/21/37/373832137.db2.gz JWBTYCJYAAFDCZ-CQSZACIVSA-N 1 2 262.378 2.295 20 30 CEEDLO C#CC[N@H+](Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000274191667 373837773 /nfs/dbraw/zinc/83/77/73/373837773.db2.gz QELCENKXDMYLMB-UHFFFAOYSA-N 1 2 251.333 2.470 20 30 CEEDLO C#CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000274191667 373837777 /nfs/dbraw/zinc/83/77/77/373837777.db2.gz QELCENKXDMYLMB-UHFFFAOYSA-N 1 2 251.333 2.470 20 30 CEEDLO C=C(C)CC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000274872097 374077657 /nfs/dbraw/zinc/07/76/57/374077657.db2.gz XJUSCFLZBQKGMG-CYBMUJFWSA-N 1 2 298.427 2.121 20 30 CEEDLO C=C(C)CC[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000274872097 374077665 /nfs/dbraw/zinc/07/76/65/374077665.db2.gz XJUSCFLZBQKGMG-CYBMUJFWSA-N 1 2 298.427 2.121 20 30 CEEDLO 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PHBNDADCVGHZDE-CQSZACIVSA-N 1 2 281.375 2.105 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000550316053 380621955 /nfs/dbraw/zinc/62/19/55/380621955.db2.gz QJFKQHLCRWMCDW-GHMZBOCLSA-N 1 2 258.321 2.185 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000550316053 380621960 /nfs/dbraw/zinc/62/19/60/380621960.db2.gz QJFKQHLCRWMCDW-GHMZBOCLSA-N 1 2 258.321 2.185 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000493104449 380798512 /nfs/dbraw/zinc/79/85/12/380798512.db2.gz JVGANBWWENMITJ-RZIFZGNASA-N 1 2 291.782 2.313 20 30 CEEDLO Cc1cc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1F ZINC000493360921 380944841 /nfs/dbraw/zinc/94/48/41/380944841.db2.gz AMRJLKYKMIDHCY-IQIBNGDESA-N 1 2 289.354 2.107 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000494631026 381161135 /nfs/dbraw/zinc/16/11/35/381161135.db2.gz LAJDGAMKQMLFRX-UHFFFAOYSA-N 1 2 299.378 2.145 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000494631026 381161144 /nfs/dbraw/zinc/16/11/44/381161144.db2.gz LAJDGAMKQMLFRX-UHFFFAOYSA-N 1 2 299.378 2.145 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CC(C)(C#N)C2)C1 ZINC000496801326 381228163 /nfs/dbraw/zinc/22/81/63/381228163.db2.gz ZYJYSLRRLOTAKB-CYBMUJFWSA-N 1 2 293.411 2.479 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000574769471 335046275 /nfs/dbraw/zinc/04/62/75/335046275.db2.gz YMBITOCSGORIBQ-GXSJLCMTSA-N 1 2 280.759 2.344 20 30 CEEDLO Cc1cccc(CCNc2ncc3c(c2C#N)CCC3)[nH+]1 ZINC000575054561 299553050 /nfs/dbraw/zinc/55/30/50/299553050.db2.gz SMOHYXAUYNFCDQ-UHFFFAOYSA-N 1 2 278.359 2.222 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000329540127 296362843 /nfs/dbraw/zinc/36/28/43/296362843.db2.gz CUISENVFMIMVGO-GRYCIOLGSA-N 1 2 276.384 2.301 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000329540127 296362844 /nfs/dbraw/zinc/36/28/44/296362844.db2.gz CUISENVFMIMVGO-GRYCIOLGSA-N 1 2 276.384 2.301 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000192219338 533111103 /nfs/dbraw/zinc/11/11/03/533111103.db2.gz ONEPPRLSFAXOAE-MRXNPFEDSA-N 1 2 270.376 2.305 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000192219338 533111107 /nfs/dbraw/zinc/11/11/07/533111107.db2.gz ONEPPRLSFAXOAE-MRXNPFEDSA-N 1 2 270.376 2.305 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCCOCC(F)F)cc1F ZINC000189248501 262169767 /nfs/dbraw/zinc/16/97/67/262169767.db2.gz ZQCHXXGFGOSQJT-UHFFFAOYSA-N 1 2 276.258 2.053 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000190434118 130103962 /nfs/dbraw/zinc/10/39/62/130103962.db2.gz KWFZQSQNLQTXEA-UHFFFAOYSA-N 1 2 299.378 2.198 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(C#N)cc1 ZINC000190517234 130113881 /nfs/dbraw/zinc/11/38/81/130113881.db2.gz VDCSBMQXIUSCRC-MNOVXSKESA-N 1 2 282.351 2.291 20 30 CEEDLO CCCCC[N@H+](CC#Cc1ccccc1)CC(N)=O ZINC000192170241 130387416 /nfs/dbraw/zinc/38/74/16/130387416.db2.gz VGIFIDZLTLCJFR-UHFFFAOYSA-N 1 2 258.365 2.016 20 30 CEEDLO CCCCC[N@@H+](CC#Cc1ccccc1)CC(N)=O ZINC000192170241 130387419 /nfs/dbraw/zinc/38/74/19/130387419.db2.gz VGIFIDZLTLCJFR-UHFFFAOYSA-N 1 2 258.365 2.016 20 30 CEEDLO N#Cc1nccnc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000263732635 131317618 /nfs/dbraw/zinc/31/76/18/131317618.db2.gz COLDREJNGWNBJD-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000328932223 394558064 /nfs/dbraw/zinc/55/80/64/394558064.db2.gz DGZQXODBDIYACO-MGPQQGTHSA-N 1 2 289.379 2.289 20 30 CEEDLO CCCC[N@H+](CCOC)Cc1nc(C#N)cs1 ZINC000356217116 394564197 /nfs/dbraw/zinc/56/41/97/394564197.db2.gz DNAHTLBSESEXLK-UHFFFAOYSA-N 1 2 253.371 2.263 20 30 CEEDLO CCCC[N@@H+](CCOC)Cc1nc(C#N)cs1 ZINC000356217116 394564199 /nfs/dbraw/zinc/56/41/99/394564199.db2.gz DNAHTLBSESEXLK-UHFFFAOYSA-N 1 2 253.371 2.263 20 30 CEEDLO Cc1cncc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000329489244 394566851 /nfs/dbraw/zinc/56/68/51/394566851.db2.gz USKLNQGGLLFCSC-NSHDSACASA-N 1 2 256.309 2.437 20 30 CEEDLO Cc1noc(C2CC2)c1NC(=O)NCc1[nH+]ccn1C ZINC000329771520 394584553 /nfs/dbraw/zinc/58/45/53/394584553.db2.gz JWGASEINYPBFOR-UHFFFAOYSA-N 1 2 275.312 2.120 20 30 CEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1C=CCCC1 ZINC000329796929 394586360 /nfs/dbraw/zinc/58/63/60/394586360.db2.gz FEBDIVUYKPGPSV-GFCCVEGCSA-N 1 2 274.368 2.332 20 30 CEEDLO Cc1nnc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000048707251 394523264 /nfs/dbraw/zinc/52/32/64/394523264.db2.gz AWRMPTICTVHVPI-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1nnc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000048707251 394523267 /nfs/dbraw/zinc/52/32/67/394523267.db2.gz AWRMPTICTVHVPI-JTQLQIEISA-N 1 2 256.309 2.443 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000266549314 394666874 /nfs/dbraw/zinc/66/68/74/394666874.db2.gz SUIGYWUXDVDXRX-GXFFZTMASA-N 1 2 252.745 2.465 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000266549314 394666881 /nfs/dbraw/zinc/66/68/81/394666881.db2.gz SUIGYWUXDVDXRX-GXFFZTMASA-N 1 2 252.745 2.465 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC000330449551 394611385 /nfs/dbraw/zinc/61/13/85/394611385.db2.gz JCKWJKPADINJBC-RKDXNWHRSA-N 1 2 250.302 2.117 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000331999064 394635386 /nfs/dbraw/zinc/63/53/86/394635386.db2.gz VWVMNKHHGTXANM-CVEARBPZSA-N 1 2 284.359 2.128 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1 ZINC000331999064 394635388 /nfs/dbraw/zinc/63/53/88/394635388.db2.gz VWVMNKHHGTXANM-CVEARBPZSA-N 1 2 284.359 2.128 20 30 CEEDLO N#CC1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCC1 ZINC000265428984 394648150 /nfs/dbraw/zinc/64/81/50/394648150.db2.gz FBVASDZYQJWHMN-UHFFFAOYSA-N 1 2 298.390 2.382 20 30 CEEDLO CCOC(=O)C[C@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000270526669 394735702 /nfs/dbraw/zinc/73/57/02/394735702.db2.gz USEWUYNKZRTGLB-CNOAHFENSA-N 1 2 265.309 2.106 20 30 CEEDLO CCCO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000267865968 394686040 /nfs/dbraw/zinc/68/60/40/394686040.db2.gz IQUHOBDNGNABDA-UHFFFAOYSA-N 1 2 272.732 2.404 20 30 CEEDLO C=C1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000334477740 394688817 /nfs/dbraw/zinc/68/88/17/394688817.db2.gz QMXSNPRFTWMIAE-HNNXBMFYSA-N 1 2 286.375 2.278 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1C#N ZINC000268952664 394703857 /nfs/dbraw/zinc/70/38/57/394703857.db2.gz IWOJPFRDVXFFGB-UHFFFAOYSA-N 1 2 285.307 2.189 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000271112654 394747711 /nfs/dbraw/zinc/74/77/11/394747711.db2.gz CLVUNTSWNAYTTO-LLVKDONJSA-N 1 2 255.325 2.063 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000271112654 394747712 /nfs/dbraw/zinc/74/77/12/394747712.db2.gz CLVUNTSWNAYTTO-LLVKDONJSA-N 1 2 255.325 2.063 20 30 CEEDLO N#CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715875 394720611 /nfs/dbraw/zinc/72/06/11/394720611.db2.gz KEJDQPAIDHRTRZ-UHFFFAOYSA-N 1 2 255.321 2.315 20 30 CEEDLO NC(CCO)=[NH+]OCc1ccc(Cl)cc1Cl ZINC000121365010 394796195 /nfs/dbraw/zinc/79/61/95/394796195.db2.gz AFPVEQQEKAHTLC-UHFFFAOYSA-N 1 2 263.124 2.165 20 30 CEEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000361088712 394815140 /nfs/dbraw/zinc/81/51/40/394815140.db2.gz RJXPWXKJRXUYCE-SJCJKPOMSA-N 1 2 283.375 2.372 20 30 CEEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000361088712 394815142 /nfs/dbraw/zinc/81/51/42/394815142.db2.gz RJXPWXKJRXUYCE-SJCJKPOMSA-N 1 2 283.375 2.372 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000361105418 394815815 /nfs/dbraw/zinc/81/58/15/394815815.db2.gz BKBAYZSMJCDLQR-OLZOCXBDSA-N 1 2 269.385 2.289 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363489740 394878058 /nfs/dbraw/zinc/87/80/58/394878058.db2.gz WFOVHVULSUHRHA-HUUCEWRRSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363489740 394878061 /nfs/dbraw/zinc/87/80/61/394878061.db2.gz WFOVHVULSUHRHA-HUUCEWRRSA-N 1 2 272.348 2.320 20 30 CEEDLO C#Cc1cccc(N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000362137070 394845278 /nfs/dbraw/zinc/84/52/78/394845278.db2.gz NSKHQLUYJXRLPA-OAHLLOKOSA-N 1 2 293.370 2.480 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)OCC ZINC000285156716 394954568 /nfs/dbraw/zinc/95/45/68/394954568.db2.gz PRYXKYPIABVKHP-DZGCQCFKSA-N 1 2 259.349 2.162 20 30 CEEDLO CC(C)(C#N)CCC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000152955465 395000102 /nfs/dbraw/zinc/00/01/02/395000102.db2.gz DJNQVVPJQSHERZ-UHFFFAOYSA-N 1 2 270.340 2.404 20 30 CEEDLO Cc1c[nH+]c(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)n1C ZINC000342856557 395025101 /nfs/dbraw/zinc/02/51/01/395025101.db2.gz ZSLSCROLZKHILT-GOEBONIOSA-N 1 2 288.395 2.156 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCCCC)Cc1ccccc1 ZINC000285571990 394959480 /nfs/dbraw/zinc/95/94/80/394959480.db2.gz HSFQEVDRKBWAMJ-UHFFFAOYSA-N 1 2 258.365 2.038 20 30 CEEDLO C#CC[N@H+](CC(=O)NCCCC)Cc1ccccc1 ZINC000285571990 394959484 /nfs/dbraw/zinc/95/94/84/394959484.db2.gz HSFQEVDRKBWAMJ-UHFFFAOYSA-N 1 2 258.365 2.038 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000339747759 394969905 /nfs/dbraw/zinc/96/99/05/394969905.db2.gz AVNFTHCPIDTWAU-UHFFFAOYSA-N 1 2 270.376 2.137 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000339747759 394969909 /nfs/dbraw/zinc/96/99/09/394969909.db2.gz AVNFTHCPIDTWAU-UHFFFAOYSA-N 1 2 270.376 2.137 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000285839379 394971053 /nfs/dbraw/zinc/97/10/53/394971053.db2.gz WLGZSWFDOKAFFU-LLVKDONJSA-N 1 2 297.349 2.435 20 30 CEEDLO Cc1cc(N[C@@H](C)Cc2ccncc2)c(C#N)c[nH+]1 ZINC000425227320 395053279 /nfs/dbraw/zinc/05/32/79/395053279.db2.gz IYZXRQZGGJDRBJ-LBPRGKRZSA-N 1 2 252.321 2.122 20 30 CEEDLO Cc1cc(NCC(C)(C)c2ccccn2)c(C#N)c[nH+]1 ZINC000425266093 395054884 /nfs/dbraw/zinc/05/48/84/395054884.db2.gz GTJXZCXLPKZRHK-UHFFFAOYSA-N 1 2 266.348 2.468 20 30 CEEDLO Cc1cc(NC[C@H](CO)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425266116 395055551 /nfs/dbraw/zinc/05/55/51/395055551.db2.gz GXIDOJHHWSRIEJ-OAHLLOKOSA-N 1 2 273.380 2.284 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC1(C#N)CCC1 ZINC000416345797 395055769 /nfs/dbraw/zinc/05/57/69/395055769.db2.gz IZIORKULJQQRQM-UHFFFAOYSA-N 1 2 282.347 2.155 20 30 CEEDLO N#CC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000416359786 395057380 /nfs/dbraw/zinc/05/73/80/395057380.db2.gz REDPXHGHXZZRLM-UHFFFAOYSA-N 1 2 294.358 2.355 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373940261 395068375 /nfs/dbraw/zinc/06/83/75/395068375.db2.gz XFBQNKWACVQALQ-KBPBESRZSA-N 1 2 269.352 2.100 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373940261 395068376 /nfs/dbraw/zinc/06/83/76/395068376.db2.gz XFBQNKWACVQALQ-KBPBESRZSA-N 1 2 269.352 2.100 20 30 CEEDLO CC#CC[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374149904 395074923 /nfs/dbraw/zinc/07/49/23/395074923.db2.gz VPEAWCSDGCUOPJ-HNNXBMFYSA-N 1 2 268.360 2.435 20 30 CEEDLO CC#CC[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374149904 395074926 /nfs/dbraw/zinc/07/49/26/395074926.db2.gz VPEAWCSDGCUOPJ-HNNXBMFYSA-N 1 2 268.360 2.435 20 30 CEEDLO C#Cc1ccc(C[NH2+][C@@](C)(CCC)C(=O)OC)cc1 ZINC000289350792 395075582 /nfs/dbraw/zinc/07/55/82/395075582.db2.gz XJILLUDVQWDWPC-INIZCTEOSA-N 1 2 259.349 2.489 20 30 CEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](CC#N)C[C@H]21 ZINC000374594900 395084761 /nfs/dbraw/zinc/08/47/61/395084761.db2.gz MXGAUTSLRMSTGO-JHJVBQTASA-N 1 2 279.384 2.135 20 30 CEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CC#N)C[C@H]21 ZINC000374594900 395084765 /nfs/dbraw/zinc/08/47/65/395084765.db2.gz MXGAUTSLRMSTGO-JHJVBQTASA-N 1 2 279.384 2.135 20 30 CEEDLO CC(C)c1noc(CO[NH+]=C(N)c2ccc(F)c(F)c2)n1 ZINC000172412675 395102739 /nfs/dbraw/zinc/10/27/39/395102739.db2.gz XEVGOPKBLWGIAN-UHFFFAOYSA-N 1 2 296.277 2.308 20 30 CEEDLO C[C@@H](C#N)CN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000343149950 395032924 /nfs/dbraw/zinc/03/29/24/395032924.db2.gz AXXONOVVONFKEB-AWEZNQCLSA-N 1 2 296.374 2.092 20 30 CEEDLO OC[C@]1(F)CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000287142968 395034868 /nfs/dbraw/zinc/03/48/68/395034868.db2.gz YGCYOFFGRFZGQZ-HNNXBMFYSA-N 1 2 281.758 2.488 20 30 CEEDLO OC[C@]1(F)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000287142968 395034871 /nfs/dbraw/zinc/03/48/71/395034871.db2.gz YGCYOFFGRFZGQZ-HNNXBMFYSA-N 1 2 281.758 2.488 20 30 CEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)CC1(C#N)CC1 ZINC000343312333 395035997 /nfs/dbraw/zinc/03/59/97/395035997.db2.gz ALDMGEMSCXQVAO-UHFFFAOYSA-N 1 2 272.274 2.181 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000372168682 395036144 /nfs/dbraw/zinc/03/61/44/395036144.db2.gz IEAIAFAXNIBENB-JTQLQIEISA-N 1 2 287.285 2.022 20 30 CEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428011645 395131289 /nfs/dbraw/zinc/13/12/89/395131289.db2.gz QKVHXQYJWJUBKA-CYBMUJFWSA-N 1 2 259.353 2.083 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000376007351 395106783 /nfs/dbraw/zinc/10/67/83/395106783.db2.gz NBTPRLZRJSMLJL-VXGBXAGGSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000376007351 395106785 /nfs/dbraw/zinc/10/67/85/395106785.db2.gz NBTPRLZRJSMLJL-VXGBXAGGSA-N 1 2 290.201 2.165 20 30 CEEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)s1 ZINC000346876073 395112708 /nfs/dbraw/zinc/11/27/08/395112708.db2.gz VUOKCTYZVPFWOO-UHFFFAOYSA-N 1 2 297.811 2.396 20 30 CEEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)s1 ZINC000346876073 395112711 /nfs/dbraw/zinc/11/27/11/395112711.db2.gz VUOKCTYZVPFWOO-UHFFFAOYSA-N 1 2 297.811 2.396 20 30 CEEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ncn1 ZINC000428312689 395145526 /nfs/dbraw/zinc/14/55/26/395145526.db2.gz URBLZQITMDZVGE-KRWDZBQOSA-N 1 2 294.358 2.230 20 30 CEEDLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)ncn1 ZINC000428312689 395145528 /nfs/dbraw/zinc/14/55/28/395145528.db2.gz URBLZQITMDZVGE-KRWDZBQOSA-N 1 2 294.358 2.230 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349235860 395162667 /nfs/dbraw/zinc/16/26/67/395162667.db2.gz CHLLEHCTUABGTG-VXGBXAGGSA-N 1 2 265.357 2.138 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000293245116 395226309 /nfs/dbraw/zinc/22/63/09/395226309.db2.gz SYTQWMOFWLHYGD-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000293245116 395226315 /nfs/dbraw/zinc/22/63/15/395226315.db2.gz SYTQWMOFWLHYGD-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO COc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000399525444 395246015 /nfs/dbraw/zinc/24/60/15/395246015.db2.gz QBYOPPPWCZSEAH-UHFFFAOYSA-N 1 2 283.331 2.313 20 30 CEEDLO CCc1[nH+]c(C(C)C)ccc1Cn1c(N)nc(C#N)c1C#N ZINC000292639931 395200281 /nfs/dbraw/zinc/20/02/81/395200281.db2.gz LMJFRYZCVKLHMF-UHFFFAOYSA-N 1 2 294.362 2.338 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292989883 395213459 /nfs/dbraw/zinc/21/34/59/395213459.db2.gz CCHWMQKZHRSEEL-UHFFFAOYSA-N 1 2 275.739 2.105 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292989883 395213463 /nfs/dbraw/zinc/21/34/63/395213463.db2.gz CCHWMQKZHRSEEL-UHFFFAOYSA-N 1 2 275.739 2.105 20 30 CEEDLO C/C(Cl)=C/C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000528402577 395289918 /nfs/dbraw/zinc/28/99/18/395289918.db2.gz HFEHAMYVSUHBHS-CTPBAPBTSA-N 1 2 291.786 2.001 20 30 CEEDLO C/C(Cl)=C/C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000528402577 395289922 /nfs/dbraw/zinc/28/99/22/395289922.db2.gz HFEHAMYVSUHBHS-CTPBAPBTSA-N 1 2 291.786 2.001 20 30 CEEDLO Cc1nsc(NC(=O)c2ccc3[nH+]ccn3c2)c1C#N ZINC000439285613 395257038 /nfs/dbraw/zinc/25/70/38/395257038.db2.gz DIOWMXBVYOVLPN-UHFFFAOYSA-N 1 2 283.316 2.223 20 30 CEEDLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352464110 395257652 /nfs/dbraw/zinc/25/76/52/395257652.db2.gz OXTFLJZKIYHBRB-CYBMUJFWSA-N 1 2 295.402 2.399 20 30 CEEDLO COC(=O)[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000419367345 395264080 /nfs/dbraw/zinc/26/40/80/395264080.db2.gz DCISMSCJGMFLHS-HZPDHXFCSA-N 1 2 284.359 2.477 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)NCCC)Cc1cnn(C(C)C)c1 ZINC000352915520 395275723 /nfs/dbraw/zinc/27/57/23/395275723.db2.gz PLZWUGQXVBQTHW-UHFFFAOYSA-N 1 2 292.427 2.368 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)NCCC)Cc1cnn(C(C)C)c1 ZINC000352915520 395275724 /nfs/dbraw/zinc/27/57/24/395275724.db2.gz PLZWUGQXVBQTHW-UHFFFAOYSA-N 1 2 292.427 2.368 20 30 CEEDLO C#CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000192228154 395377061 /nfs/dbraw/zinc/37/70/61/395377061.db2.gz QMWLWBAXNCSXLE-CQSZACIVSA-N 1 2 276.767 2.400 20 30 CEEDLO C#CC[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000192228154 395377065 /nfs/dbraw/zinc/37/70/65/395377065.db2.gz QMWLWBAXNCSXLE-CQSZACIVSA-N 1 2 276.767 2.400 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000192892999 395395485 /nfs/dbraw/zinc/39/54/85/395395485.db2.gz NQGAJBPCUCEQNA-UHFFFAOYSA-N 1 2 284.319 2.251 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000192892999 395395488 /nfs/dbraw/zinc/39/54/88/395395488.db2.gz NQGAJBPCUCEQNA-UHFFFAOYSA-N 1 2 284.319 2.251 20 30 CEEDLO COC(=O)[C@@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411677381 395335959 /nfs/dbraw/zinc/33/59/59/395335959.db2.gz KYFHDYBTGONQMV-GFCCVEGCSA-N 1 2 252.358 2.344 20 30 CEEDLO COC(=O)[C@@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411677381 395335962 /nfs/dbraw/zinc/33/59/62/395335962.db2.gz KYFHDYBTGONQMV-GFCCVEGCSA-N 1 2 252.358 2.344 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000411754384 395338805 /nfs/dbraw/zinc/33/88/05/395338805.db2.gz GQHJRYZCVYEALD-ZDUSSCGKSA-N 1 2 281.363 2.318 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000411754384 395338809 /nfs/dbraw/zinc/33/88/09/395338809.db2.gz GQHJRYZCVYEALD-ZDUSSCGKSA-N 1 2 281.363 2.318 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000190610999 395340009 /nfs/dbraw/zinc/34/00/09/395340009.db2.gz SSFUGWIXOLFBLH-MNOVXSKESA-N 1 2 282.351 2.291 20 30 CEEDLO COCc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000529815438 395448830 /nfs/dbraw/zinc/44/88/30/395448830.db2.gz YUDRRTADGSYISO-NSHDSACASA-N 1 2 298.346 2.245 20 30 CEEDLO COCc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000529815438 395448832 /nfs/dbraw/zinc/44/88/32/395448832.db2.gz YUDRRTADGSYISO-NSHDSACASA-N 1 2 298.346 2.245 20 30 CEEDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1F ZINC000195080294 395458539 /nfs/dbraw/zinc/45/85/39/395458539.db2.gz UHUZLKZLLYEYHK-UHFFFAOYSA-N 1 2 272.327 2.453 20 30 CEEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1F ZINC000195080294 395458540 /nfs/dbraw/zinc/45/85/40/395458540.db2.gz UHUZLKZLLYEYHK-UHFFFAOYSA-N 1 2 272.327 2.453 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000533349397 395461552 /nfs/dbraw/zinc/46/15/52/395461552.db2.gz XKGQBBAWVFABPK-UHFFFAOYSA-N 1 2 282.347 2.273 20 30 CEEDLO COc1nccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000449238411 395545749 /nfs/dbraw/zinc/54/57/49/395545749.db2.gz GGYDERUHCWKIBL-JTQLQIEISA-N 1 2 286.310 2.347 20 30 CEEDLO COC(=O)c1ccc(NCCc2ccc(C)c[nH+]2)c(C#N)n1 ZINC000573625239 395612431 /nfs/dbraw/zinc/61/24/31/395612431.db2.gz XTMXDDNSVKVDGA-UHFFFAOYSA-N 1 2 296.330 2.098 20 30 CEEDLO N#Cc1ccc(OCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452333271 395626280 /nfs/dbraw/zinc/62/62/80/395626280.db2.gz JAWRNJLNDMFDMG-UHFFFAOYSA-N 1 2 296.330 2.109 20 30 CEEDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412673 395666151 /nfs/dbraw/zinc/66/61/51/395666151.db2.gz NJPLONZMYWQNFC-PTEHBNRSSA-N 1 2 289.335 2.200 20 30 CEEDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412673 395666152 /nfs/dbraw/zinc/66/61/52/395666152.db2.gz NJPLONZMYWQNFC-PTEHBNRSSA-N 1 2 289.335 2.200 20 30 CEEDLO N#Cc1ccnc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000479408888 395666991 /nfs/dbraw/zinc/66/69/91/395666991.db2.gz MYFZUBGDHIRDGS-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO Cc1ccc(N2CC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000159839994 292136543 /nfs/dbraw/zinc/13/65/43/292136543.db2.gz JBNXNDNGSRWFBV-MRXNPFEDSA-N 1 2 283.375 2.336 20 30 CEEDLO C=CCCCCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000150877148 400281392 /nfs/dbraw/zinc/28/13/92/400281392.db2.gz VAJYDNAXFVMRIO-UHFFFAOYSA-N 1 2 274.368 2.201 20 30 CEEDLO C=CCCCCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000150877148 400281394 /nfs/dbraw/zinc/28/13/94/400281394.db2.gz VAJYDNAXFVMRIO-UHFFFAOYSA-N 1 2 274.368 2.201 20 30 CEEDLO C=C(C)CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000652403167 401503845 /nfs/dbraw/zinc/50/38/45/401503845.db2.gz HOMQBWIDXDCKRF-UHFFFAOYSA-N 1 2 286.379 2.451 20 30 CEEDLO CO[C@](C)(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329752886 286133429 /nfs/dbraw/zinc/13/34/29/286133429.db2.gz WMFNBGPFBZWRDT-YGRLFVJLSA-N 1 2 263.341 2.039 20 30 CEEDLO CO[C@](C)(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329752886 286133430 /nfs/dbraw/zinc/13/34/30/286133430.db2.gz WMFNBGPFBZWRDT-YGRLFVJLSA-N 1 2 263.341 2.039 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1F ZINC000361706462 155649417 /nfs/dbraw/zinc/64/94/17/155649417.db2.gz QPFOQBHHOFZBJM-UHFFFAOYSA-N 1 2 283.297 2.080 20 30 CEEDLO Cc1cc(C#N)nc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000376451817 157223942 /nfs/dbraw/zinc/22/39/42/157223942.db2.gz XCUAAZGPFHFAQK-CYBMUJFWSA-N 1 2 294.362 2.133 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)s1 ZINC000176942112 165181003 /nfs/dbraw/zinc/18/10/03/165181003.db2.gz JQWRJEOFWRSIBM-UHFFFAOYSA-N 1 2 287.392 2.227 20 30 CEEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nnc2n1CCCC2 ZINC000177707579 165207264 /nfs/dbraw/zinc/20/72/64/165207264.db2.gz GGDOTMOAYBSOPD-JTQLQIEISA-N 1 2 287.392 2.398 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000183035062 165383643 /nfs/dbraw/zinc/38/36/43/165383643.db2.gz DYPFEAPMCCEAOQ-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000183035062 165383645 /nfs/dbraw/zinc/38/36/45/165383645.db2.gz DYPFEAPMCCEAOQ-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000005627771 170121431 /nfs/dbraw/zinc/12/14/31/170121431.db2.gz GRTIRYSYPTVLCB-INIZCTEOSA-N 1 2 284.363 2.399 20 30 CEEDLO N#Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000285393819 196271876 /nfs/dbraw/zinc/27/18/76/196271876.db2.gz SPMHHCZRXBYDNG-LBPRGKRZSA-N 1 2 298.321 2.440 20 30 CEEDLO COC(=O)c1cnoc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000285499410 196305604 /nfs/dbraw/zinc/30/56/04/196305604.db2.gz DYKMGWNIOOSYRK-UHFFFAOYSA-N 1 2 297.314 2.112 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2ccccc2)nn1 ZINC000653599178 415049833 /nfs/dbraw/zinc/04/98/33/415049833.db2.gz BNBMHDWVKTZYRT-INIZCTEOSA-N 1 2 286.379 2.068 20 30 CEEDLO C=C(C)CN(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654986508 415071142 /nfs/dbraw/zinc/07/11/42/415071142.db2.gz JNDPBDQDMLCDML-JTQLQIEISA-N 1 2 289.301 2.491 20 30 CEEDLO C=CCN1CC[C@@H](N(C)c2[nH+]ccc3c(N)cccc32)C1=O ZINC000663872388 415076651 /nfs/dbraw/zinc/07/66/51/415076651.db2.gz RRHWFIBAUPYSBB-OAHLLOKOSA-N 1 2 296.374 2.040 20 30 CEEDLO C=CC[N@H+](Cc1nc(C(C)C)no1)[C@@H](C)COC ZINC000661246970 415158243 /nfs/dbraw/zinc/15/82/43/415158243.db2.gz MJTMTHKICVWBDS-NSHDSACASA-N 1 2 253.346 2.216 20 30 CEEDLO C=CC[N@@H+](Cc1nc(C(C)C)no1)[C@@H](C)COC ZINC000661246970 415158253 /nfs/dbraw/zinc/15/82/53/415158253.db2.gz MJTMTHKICVWBDS-NSHDSACASA-N 1 2 253.346 2.216 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)nn1 ZINC000653780061 415103513 /nfs/dbraw/zinc/10/35/13/415103513.db2.gz RTIZEBFYGJFWSO-GFCCVEGCSA-N 1 2 268.311 2.085 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)nn1 ZINC000653780061 415103517 /nfs/dbraw/zinc/10/35/17/415103517.db2.gz RTIZEBFYGJFWSO-GFCCVEGCSA-N 1 2 268.311 2.085 20 30 CEEDLO CO[C@]1(CO)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000661393810 415238939 /nfs/dbraw/zinc/23/89/39/415238939.db2.gz XHTLIMQXAKUAIB-MRXNPFEDSA-N 1 2 293.794 2.165 20 30 CEEDLO CO[C@]1(CO)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000661393810 415238944 /nfs/dbraw/zinc/23/89/44/415238944.db2.gz XHTLIMQXAKUAIB-MRXNPFEDSA-N 1 2 293.794 2.165 20 30 CEEDLO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655797180 415478137 /nfs/dbraw/zinc/47/81/37/415478137.db2.gz 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/nfs/dbraw/zinc/85/37/25/415853725.db2.gz GNHCXXWEHPLQNA-UHFFFAOYSA-N 1 2 257.341 2.424 20 30 CEEDLO C[C@H](NC(=O)C[C@@H]1CCC(=O)[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000330023028 228018803 /nfs/dbraw/zinc/01/88/03/228018803.db2.gz IBAHABDJKVUUOK-RFGFWPKPSA-N 1 2 296.411 2.057 20 30 CEEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]CC1(C)CC1 ZINC000330198324 228063858 /nfs/dbraw/zinc/06/38/58/228063858.db2.gz TVWIJRCSLRZQIN-ZDUSSCGKSA-N 1 2 276.384 2.370 20 30 CEEDLO O=C(C[C@@H]1CCCC[C@H]1O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000330222747 228071339 /nfs/dbraw/zinc/07/13/39/228071339.db2.gz MTIQLQSAQNWIQH-MISXGVKJSA-N 1 2 277.368 2.165 20 30 CEEDLO O=C(C[C@@H]1CCCC[C@H]1O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000330222747 228071340 /nfs/dbraw/zinc/07/13/40/228071340.db2.gz MTIQLQSAQNWIQH-MISXGVKJSA-N 1 2 277.368 2.165 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000352087495 228181299 /nfs/dbraw/zinc/18/12/99/228181299.db2.gz NXJHROFQSSVBBF-GTNSWQLSSA-N 1 2 250.367 2.015 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000352087495 228181300 /nfs/dbraw/zinc/18/13/00/228181300.db2.gz NXJHROFQSSVBBF-GTNSWQLSSA-N 1 2 250.367 2.015 20 30 CEEDLO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187916194 260064977 /nfs/dbraw/zinc/06/49/77/260064977.db2.gz YHQIVVJRJDKGKI-RKDXNWHRSA-N 1 2 257.280 2.258 20 30 CEEDLO C=CC[NH+](CC=C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000297923766 260138370 /nfs/dbraw/zinc/13/83/70/260138370.db2.gz QRQVPKOMQBYVJK-ZDUSSCGKSA-N 1 2 287.388 2.399 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nnnn1C1CC1 ZINC000298892284 260168941 /nfs/dbraw/zinc/16/89/41/260168941.db2.gz LKIQDYMOICGBSD-LBPRGKRZSA-N 1 2 287.367 2.393 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nnnn1C1CC1 ZINC000298892284 260168942 /nfs/dbraw/zinc/16/89/42/260168942.db2.gz LKIQDYMOICGBSD-LBPRGKRZSA-N 1 2 287.367 2.393 20 30 CEEDLO C#CC[NH+](CC#C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000299184434 260174028 /nfs/dbraw/zinc/17/40/28/260174028.db2.gz 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288.391 2.445 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1c(C)cccc1C ZINC000292328361 263131113 /nfs/dbraw/zinc/13/11/13/263131113.db2.gz WEHUDJFGZLQGJC-MRXNPFEDSA-N 1 2 288.391 2.445 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000292790004 263135224 /nfs/dbraw/zinc/13/52/24/263135224.db2.gz MFIQGEYVKNYOFH-CQSZACIVSA-N 1 2 269.352 2.108 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000292882369 263136239 /nfs/dbraw/zinc/13/62/39/263136239.db2.gz UGMFXVUCIUVUSZ-GFCCVEGCSA-N 1 2 253.367 2.324 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000292882369 263136240 /nfs/dbraw/zinc/13/62/40/263136240.db2.gz UGMFXVUCIUVUSZ-GFCCVEGCSA-N 1 2 253.367 2.324 20 30 CEEDLO CN(C)c1ccc(CNC(=O)[C@]2(C#N)CC23CCCC3)c[nH+]1 ZINC000294322848 263159586 /nfs/dbraw/zinc/15/95/86/263159586.db2.gz KEJSCDHMJPHPAI-QGZVFWFLSA-N 1 2 298.390 2.238 20 30 CEEDLO N#C[C@]1(C(=O)NCCNc2cccc[nH+]2)CC12CCCC2 ZINC000295359530 263176554 /nfs/dbraw/zinc/17/65/54/263176554.db2.gz JCJDBNBPTDRBFL-INIZCTEOSA-N 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/nfs/dbraw/zinc/29/10/35/263291035.db2.gz DFACLRHZKBAXGC-NSHDSACASA-N 1 2 294.424 2.208 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000341315734 263334024 /nfs/dbraw/zinc/33/40/24/263334024.db2.gz BRFCQHLGWXXWON-QWHCGFSZSA-N 1 2 261.369 2.338 20 30 CEEDLO COCC1(C#N)CC[NH+](CC(=O)c2cc(C)[nH]c2C)CC1 ZINC000341980164 263370173 /nfs/dbraw/zinc/37/01/73/263370173.db2.gz PIRLIOHUNHAYIV-UHFFFAOYSA-N 1 2 289.379 2.066 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC[C@H]2CCCO2)on1 ZINC000328787837 263871747 /nfs/dbraw/zinc/87/17/47/263871747.db2.gz XHHGJFYJZDUMIZ-OLZOCXBDSA-N 1 2 293.367 2.255 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC[C@H]2CCCO2)on1 ZINC000328787837 263871749 /nfs/dbraw/zinc/87/17/49/263871749.db2.gz XHHGJFYJZDUMIZ-OLZOCXBDSA-N 1 2 293.367 2.255 20 30 CEEDLO C#C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000874859628 649856655 /nfs/dbraw/zinc/85/66/55/649856655.db2.gz YHWMBKIEGHTIJL-IHRRRGAJSA-N 1 2 259.353 2.142 20 30 CEEDLO CC(C)=CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331077142 264114925 /nfs/dbraw/zinc/11/49/25/264114925.db2.gz JGQSDNBVJBKJDM-CQSZACIVSA-N 1 2 275.352 2.415 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc([C@H](C)OC)no1 ZINC000331146233 264137929 /nfs/dbraw/zinc/13/79/29/264137929.db2.gz NOSSJFZIDNLKCB-QWRGUYRKSA-N 1 2 251.330 2.318 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc([C@H](C)OC)no1 ZINC000331146233 264137930 /nfs/dbraw/zinc/13/79/30/264137930.db2.gz NOSSJFZIDNLKCB-QWRGUYRKSA-N 1 2 251.330 2.318 20 30 CEEDLO C=CCN(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000331167919 264145596 /nfs/dbraw/zinc/14/55/96/264145596.db2.gz TTYUFUKHCVMXGA-LBPRGKRZSA-N 1 2 262.357 2.101 20 30 CEEDLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000331237320 264175355 /nfs/dbraw/zinc/17/53/55/264175355.db2.gz UYOCBFVBKXSVSZ-YPMHNXCESA-N 1 2 276.384 2.340 20 30 CEEDLO Cc1ccc(NC(=O)N2CCC[C@H]2CCCO)c(C)[nH+]1 ZINC000331322082 264189953 /nfs/dbraw/zinc/18/99/53/264189953.db2.gz LDIBNDJLJMZTIW-ZDUSSCGKSA-N 1 2 277.368 2.481 20 30 CEEDLO Cc1cc(C)c(NC(=O)NCC[C@H](C)[S@@](C)=O)c(C)[nH+]1 ZINC000331328653 264191272 /nfs/dbraw/zinc/19/12/72/264191272.db2.gz NRMCCJDTPXQPPK-PRWKNARSSA-N 1 2 297.424 2.490 20 30 CEEDLO C=CCCCN(C)C(=O)NCc1c[nH+]ccc1OC ZINC000294085741 265007580 /nfs/dbraw/zinc/00/75/80/265007580.db2.gz CPDZHXAJBFFSBP-UHFFFAOYSA-N 1 2 263.341 2.198 20 30 CEEDLO C=CCCCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000356234722 266078741 /nfs/dbraw/zinc/07/87/41/266078741.db2.gz RKSQJWZSUPVCSD-UHFFFAOYSA-N 1 2 274.355 2.436 20 30 CEEDLO C=CCOc1cccc(CNc2ccc(CO)c[nH+]2)c1 ZINC000356314662 266093573 /nfs/dbraw/zinc/09/35/73/266093573.db2.gz GNMJRMJEDNBHNX-UHFFFAOYSA-N 1 2 270.332 2.173 20 30 CEEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000368787109 267204782 /nfs/dbraw/zinc/20/47/82/267204782.db2.gz TUIWUOQVFZFTDD-CQSZACIVSA-N 1 2 251.276 2.361 20 30 CEEDLO C#CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000368787109 267204784 /nfs/dbraw/zinc/20/47/84/267204784.db2.gz TUIWUOQVFZFTDD-CQSZACIVSA-N 1 2 251.276 2.361 20 30 CEEDLO C=CCN(CC)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368794789 267206086 /nfs/dbraw/zinc/20/60/86/267206086.db2.gz KVPKWOWPWOKRNK-CQSZACIVSA-N 1 2 273.380 2.333 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369439887 267243467 /nfs/dbraw/zinc/24/34/67/267243467.db2.gz XIKFIBMOFVCZKQ-GFCCVEGCSA-N 1 2 285.351 2.031 20 30 CEEDLO CCn1ncnc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533301 267264669 /nfs/dbraw/zinc/26/46/69/267264669.db2.gz KOYSCBAJFTUHPQ-GFCCVEGCSA-N 1 2 269.352 2.363 20 30 CEEDLO CCn1ncnc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533301 267264672 /nfs/dbraw/zinc/26/46/72/267264672.db2.gz KOYSCBAJFTUHPQ-GFCCVEGCSA-N 1 2 269.352 2.363 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000370505632 267325082 /nfs/dbraw/zinc/32/50/82/267325082.db2.gz WMVSSNSGVFWJQY-CHWSQXEVSA-N 1 2 279.384 2.486 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000370505632 267325084 /nfs/dbraw/zinc/32/50/84/267325084.db2.gz WMVSSNSGVFWJQY-CHWSQXEVSA-N 1 2 279.384 2.486 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370505633 267325348 /nfs/dbraw/zinc/32/53/48/267325348.db2.gz WMVSSNSGVFWJQY-OLZOCXBDSA-N 1 2 279.384 2.486 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370505633 267325350 /nfs/dbraw/zinc/32/53/50/267325350.db2.gz WMVSSNSGVFWJQY-OLZOCXBDSA-N 1 2 279.384 2.486 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCc3nnc(N)cc3C2)c1 ZINC000371373292 267395955 /nfs/dbraw/zinc/39/59/55/267395955.db2.gz LAZFTUOLQYKSAX-UHFFFAOYSA-N 1 2 296.374 2.012 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCc3nnc(N)cc3C2)c1 ZINC000371373292 267395958 /nfs/dbraw/zinc/39/59/58/267395958.db2.gz LAZFTUOLQYKSAX-UHFFFAOYSA-N 1 2 296.374 2.012 20 30 CEEDLO Cc1cc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)c(C#N)c[nH+]1 ZINC000425267453 267950729 /nfs/dbraw/zinc/95/07/29/267950729.db2.gz LSBPGNDPPSICFJ-SJLPKXTDSA-N 1 2 293.370 2.262 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000428961312 268164302 /nfs/dbraw/zinc/16/43/02/268164302.db2.gz KXBSXHKYSSHUSR-UHFFFAOYSA-N 1 2 283.306 2.356 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000428961312 268164304 /nfs/dbraw/zinc/16/43/04/268164304.db2.gz KXBSXHKYSSHUSR-UHFFFAOYSA-N 1 2 283.306 2.356 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCSCC1 ZINC000459396962 268290052 /nfs/dbraw/zinc/29/00/52/268290052.db2.gz WFSPWPMONBWRLO-UHFFFAOYSA-N 1 2 277.349 2.405 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCSCC1 ZINC000459396962 268290054 /nfs/dbraw/zinc/29/00/54/268290054.db2.gz WFSPWPMONBWRLO-UHFFFAOYSA-N 1 2 277.349 2.405 20 30 CEEDLO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(C#N)c[nH+]1 ZINC000425267226 271150099 /nfs/dbraw/zinc/15/00/99/271150099.db2.gz KZRRKBREUVDGJM-VNHYZAJKSA-N 1 2 271.364 2.249 20 30 CEEDLO CC1(C)CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329537287 276114083 /nfs/dbraw/zinc/11/40/83/276114083.db2.gz BMHJXFLIPGQIRY-LLVKDONJSA-N 1 2 262.357 2.191 20 30 CEEDLO CC1(C)CC[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C1 ZINC000329537287 276114084 /nfs/dbraw/zinc/11/40/84/276114084.db2.gz BMHJXFLIPGQIRY-LLVKDONJSA-N 1 2 262.357 2.191 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335556672 276915746 /nfs/dbraw/zinc/91/57/46/276915746.db2.gz BITJKNRCJKONJG-QWHCGFSZSA-N 1 2 259.353 2.013 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC#Cc1ccccc1 ZINC000277039537 277110986 /nfs/dbraw/zinc/11/09/86/277110986.db2.gz TULXTNGMWATDHI-BBWFWOEESA-N 1 2 283.371 2.312 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC#Cc1ccccc1 ZINC000277039537 277110988 /nfs/dbraw/zinc/11/09/88/277110988.db2.gz TULXTNGMWATDHI-BBWFWOEESA-N 1 2 283.371 2.312 20 30 CEEDLO CC(C)(C)c1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)no1 ZINC000330316930 277263698 /nfs/dbraw/zinc/26/36/98/277263698.db2.gz QEVFHRSNQJZGKH-JTQLQIEISA-N 1 2 288.351 2.488 20 30 CEEDLO C=C(C)[C@@H](CC(=O)Nc1ccc[nH+]c1N(C)C)OCC ZINC000270011092 277789986 /nfs/dbraw/zinc/78/99/86/277789986.db2.gz BMWIKRYXYKNONI-CYBMUJFWSA-N 1 2 277.368 2.457 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)CCc1ccc(C#N)cc1 ZINC000155150173 289166512 /nfs/dbraw/zinc/16/65/12/289166512.db2.gz OTZOEKXFIBCEPH-UHFFFAOYSA-N 1 2 296.374 2.236 20 30 CEEDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000156064670 289188405 /nfs/dbraw/zinc/18/84/05/289188405.db2.gz AISADDZNKUCXAL-DOMZBBRYSA-N 1 2 294.358 2.195 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)[nH]1 ZINC000156399888 289195462 /nfs/dbraw/zinc/19/54/62/289195462.db2.gz VFMYRMVZXAFSTN-UHFFFAOYSA-N 1 2 277.287 2.324 20 30 CEEDLO C[C@@]1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCCOC1 ZINC000329730179 289202982 /nfs/dbraw/zinc/20/29/82/289202982.db2.gz DBQWOHNWGZJCQQ-CQSZACIVSA-N 1 2 274.324 2.039 20 30 CEEDLO Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)c[nH+]1 ZINC000535036290 298181311 /nfs/dbraw/zinc/18/13/11/298181311.db2.gz NIRRMRHGSPJRHU-CYBMUJFWSA-N 1 2 295.342 2.398 20 30 CEEDLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000535789200 298190410 /nfs/dbraw/zinc/19/04/10/298190410.db2.gz NLRMZJYBRJGOKP-UHFFFAOYSA-N 1 2 270.361 2.277 20 30 CEEDLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000535789200 298190411 /nfs/dbraw/zinc/19/04/11/298190411.db2.gz NLRMZJYBRJGOKP-UHFFFAOYSA-N 1 2 270.361 2.277 20 30 CEEDLO C[C@H](C1CC1)N(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329637700 298246134 /nfs/dbraw/zinc/24/61/34/298246134.db2.gz VTAGSQXDDCOMRR-PWSUYJOCSA-N 1 2 288.395 2.444 20 30 CEEDLO C[C@H](C1CC1)N(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329637700 298246137 /nfs/dbraw/zinc/24/61/37/298246137.db2.gz VTAGSQXDDCOMRR-PWSUYJOCSA-N 1 2 288.395 2.444 20 30 CEEDLO N#Cc1cnccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000546654353 298355476 /nfs/dbraw/zinc/35/54/76/298355476.db2.gz MUGJNRUVFWUUNU-UHFFFAOYSA-N 1 2 277.331 2.296 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000335727407 303175815 /nfs/dbraw/zinc/17/58/15/303175815.db2.gz VLXKFTQXUNJCPG-LSDHHAIUSA-N 1 2 292.379 2.404 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000335727407 303175818 /nfs/dbraw/zinc/17/58/18/303175818.db2.gz VLXKFTQXUNJCPG-LSDHHAIUSA-N 1 2 292.379 2.404 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572660031 327629051 /nfs/dbraw/zinc/62/90/51/327629051.db2.gz YFJPMROJOMCMTO-MNOVXSKESA-N 1 2 290.323 2.204 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000567246840 328842192 /nfs/dbraw/zinc/84/21/92/328842192.db2.gz WWESQICORGREQY-RISCZKNCSA-N 1 2 277.343 2.285 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])c1 ZINC000570455500 314041767 /nfs/dbraw/zinc/04/17/67/314041767.db2.gz RCTDLOGEBXPRLQ-GFCCVEGCSA-N 1 2 263.272 2.400 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])c1 ZINC000570455500 314041763 /nfs/dbraw/zinc/04/17/63/314041763.db2.gz RCTDLOGEBXPRLQ-GFCCVEGCSA-N 1 2 263.272 2.400 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C(=O)OC)nc1C#N ZINC000570740045 314056313 /nfs/dbraw/zinc/05/63/13/314056313.db2.gz YDBSZLOMWDSAKO-SNVBAGLBSA-N 1 2 299.334 2.129 20 30 CEEDLO Cc1ncsc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000571499501 314093328 /nfs/dbraw/zinc/09/33/28/314093328.db2.gz BXOPIHNSIJMEHU-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C[C@H](CC(=O)N(C)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000573925282 314183767 /nfs/dbraw/zinc/18/37/67/314183767.db2.gz UKNIKCDTXNPRSP-GFCCVEGCSA-N 1 2 268.320 2.369 20 30 CEEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000575320441 314217174 /nfs/dbraw/zinc/21/71/74/314217174.db2.gz UJGLTXBEJASWMM-OAHLLOKOSA-N 1 2 289.335 2.323 20 30 CEEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000575320441 314217177 /nfs/dbraw/zinc/21/71/77/314217177.db2.gz UJGLTXBEJASWMM-OAHLLOKOSA-N 1 2 289.335 2.323 20 30 CEEDLO Cc1nnc(C[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000576098560 314241050 /nfs/dbraw/zinc/24/10/50/314241050.db2.gz BMFNTVSAFBBCHK-UHFFFAOYSA-N 1 2 258.350 2.316 20 30 CEEDLO COc1ccc(C[N@H+](C)[C@H](C)c2nc(C)no2)cc1C#N ZINC000576118331 314243909 /nfs/dbraw/zinc/24/39/09/314243909.db2.gz GJNDYAZWRMTVOJ-SNVBAGLBSA-N 1 2 286.335 2.451 20 30 CEEDLO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(C)no2)cc1C#N ZINC000576118331 314243912 /nfs/dbraw/zinc/24/39/12/314243912.db2.gz GJNDYAZWRMTVOJ-SNVBAGLBSA-N 1 2 286.335 2.451 20 30 CEEDLO COc1cc(C)[nH+]c(COc2cccnc2C#N)c1 ZINC000357096354 533701317 /nfs/dbraw/zinc/70/13/17/533701317.db2.gz DASDLJBJKPPCEW-UHFFFAOYSA-N 1 2 255.277 2.244 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000268265976 328183620 /nfs/dbraw/zinc/18/36/20/328183620.db2.gz AZPNJBAYIUBEER-LLVKDONJSA-N 1 2 263.297 2.208 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000268265976 328183621 /nfs/dbraw/zinc/18/36/21/328183621.db2.gz AZPNJBAYIUBEER-LLVKDONJSA-N 1 2 263.297 2.208 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268392333 328184776 /nfs/dbraw/zinc/18/47/76/328184776.db2.gz XNCMPXFMGKMSRH-ZDUSSCGKSA-N 1 2 290.363 2.361 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268392333 328184777 /nfs/dbraw/zinc/18/47/77/328184777.db2.gz XNCMPXFMGKMSRH-ZDUSSCGKSA-N 1 2 290.363 2.361 20 30 CEEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(F)c(C#N)c2)[nH+]1 ZINC000583089245 322523997 /nfs/dbraw/zinc/52/39/97/322523997.db2.gz BUUDKAFKEVSCEK-UHFFFAOYSA-N 1 2 286.310 2.394 20 30 CEEDLO C[C@H](CC(=O)NCc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC000583568145 322554658 /nfs/dbraw/zinc/55/46/58/322554658.db2.gz YGHMCOIFPCCBOE-LLVKDONJSA-N 1 2 286.310 2.161 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000584151737 327050689 /nfs/dbraw/zinc/05/06/89/327050689.db2.gz TWEVFDFFPADWGF-QWHCGFSZSA-N 1 2 297.362 2.166 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000584151737 327050691 /nfs/dbraw/zinc/05/06/91/327050691.db2.gz TWEVFDFFPADWGF-QWHCGFSZSA-N 1 2 297.362 2.166 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000078320962 327134750 /nfs/dbraw/zinc/13/47/50/327134750.db2.gz UMXHDGDCGYXZDD-HNNXBMFYSA-N 1 2 276.380 2.197 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000078320962 327134751 /nfs/dbraw/zinc/13/47/51/327134751.db2.gz UMXHDGDCGYXZDD-HNNXBMFYSA-N 1 2 276.380 2.197 20 30 CEEDLO CCCOc1ccc(/C=[NH+]/C[C@H](C)C(=O)OC)c(O)c1 ZINC000101799862 327222818 /nfs/dbraw/zinc/22/28/18/327222818.db2.gz UASYFOLFYHVFCG-YAFRSCOQSA-N 1 2 279.336 2.409 20 30 CEEDLO C#CC[N@@H+](Cc1ncc(Cl)n1C)C1CCCC1 ZINC000155896638 327398438 /nfs/dbraw/zinc/39/84/38/327398438.db2.gz UDDMIXGVRNEWMA-UHFFFAOYSA-N 1 2 251.761 2.451 20 30 CEEDLO C#CC[N@H+](Cc1ncc(Cl)n1C)C1CCCC1 ZINC000155896638 327398439 /nfs/dbraw/zinc/39/84/39/327398439.db2.gz UDDMIXGVRNEWMA-UHFFFAOYSA-N 1 2 251.761 2.451 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000562254335 327459508 /nfs/dbraw/zinc/45/95/08/327459508.db2.gz PILCGHVIDWXAAU-GFCCVEGCSA-N 1 2 291.307 2.243 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000582369003 328972367 /nfs/dbraw/zinc/97/23/67/328972367.db2.gz YABVREBJZPJEDB-OAHLLOKOSA-N 1 2 285.391 2.464 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)ccn12 ZINC000582735300 329133645 /nfs/dbraw/zinc/13/36/45/329133645.db2.gz DRHNPSYFMJMHQK-WCQYABFASA-N 1 2 268.320 2.065 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000181311911 329231088 /nfs/dbraw/zinc/23/10/88/329231088.db2.gz PPXQCPAYWCUXQL-UHFFFAOYSA-N 1 2 289.404 2.481 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000181311911 329231090 /nfs/dbraw/zinc/23/10/90/329231090.db2.gz PPXQCPAYWCUXQL-UHFFFAOYSA-N 1 2 289.404 2.481 20 30 CEEDLO C[C@H](CCC#N)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000582968817 329295956 /nfs/dbraw/zinc/29/59/56/329295956.db2.gz WPIUWZKFNCXTOC-DGCLKSJQSA-N 1 2 255.325 2.176 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000187189190 329354343 /nfs/dbraw/zinc/35/43/43/329354343.db2.gz QLRBMUMURHXQFZ-CYBMUJFWSA-N 1 2 295.342 2.096 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583821122 329483656 /nfs/dbraw/zinc/48/36/56/329483656.db2.gz AKQHLHYNQWZZGC-LLVKDONJSA-N 1 2 270.336 2.265 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CCC#N)c1 ZINC000074228601 329863668 /nfs/dbraw/zinc/86/36/68/329863668.db2.gz NZJBAOHMWGYJLH-UHFFFAOYSA-N 1 2 268.320 2.166 20 30 CEEDLO C=CCN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000161916202 329959765 /nfs/dbraw/zinc/95/97/65/329959765.db2.gz VZFAHTPWISYINN-UHFFFAOYSA-N 1 2 255.321 2.189 20 30 CEEDLO C#CC[NH+](CC#C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000267699498 330065075 /nfs/dbraw/zinc/06/50/75/330065075.db2.gz UIRZNSCEBSZBKG-AWEZNQCLSA-N 1 2 281.277 2.307 20 30 CEEDLO Cc1cccc2cc(OC[C@@H](O)C[N@H+](C)CCC#N)cnc12 ZINC000421812304 330085179 /nfs/dbraw/zinc/08/51/79/330085179.db2.gz KXLPOTLSTPVPII-HNNXBMFYSA-N 1 2 299.374 2.128 20 30 CEEDLO Cc1cccc2cc(OC[C@@H](O)C[N@@H+](C)CCC#N)cnc12 ZINC000421812304 330085180 /nfs/dbraw/zinc/08/51/80/330085180.db2.gz KXLPOTLSTPVPII-HNNXBMFYSA-N 1 2 299.374 2.128 20 30 CEEDLO C=C[C@](C)(O)CC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000278734190 330122561 /nfs/dbraw/zinc/12/25/61/330122561.db2.gz UMKVFXDMLVGDBB-KRWDZBQOSA-N 1 2 290.407 2.346 20 30 CEEDLO C=C[C@](C)(O)CC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000278734190 330122563 /nfs/dbraw/zinc/12/25/63/330122563.db2.gz UMKVFXDMLVGDBB-KRWDZBQOSA-N 1 2 290.407 2.346 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)cc2Cl)nn1 ZINC000424166810 330309392 /nfs/dbraw/zinc/30/93/92/330309392.db2.gz BKQMXAOWSWBCTF-UHFFFAOYSA-N 1 2 292.770 2.416 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cc(F)ccc2C)nn1 ZINC000424169369 330309850 /nfs/dbraw/zinc/30/98/50/330309850.db2.gz HZQZGXZWFVRVNJ-UHFFFAOYSA-N 1 2 260.316 2.201 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc(Br)o2)nn1 ZINC000424173810 330313678 /nfs/dbraw/zinc/31/36/78/330313678.db2.gz QEBCPIOPEGNYFC-UHFFFAOYSA-N 1 2 297.156 2.109 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc(Cl)s2)nn1 ZINC000424174856 330315255 /nfs/dbraw/zinc/31/52/55/330315255.db2.gz SKHTXYYVHMYORB-UHFFFAOYSA-N 1 2 268.773 2.469 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)nn1 ZINC000424297109 330336319 /nfs/dbraw/zinc/33/63/19/330336319.db2.gz PWSCECHGRMOKAT-NSHDSACASA-N 1 2 290.342 2.463 20 30 CEEDLO N/C(=N/O)[C@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000083767353 330359204 /nfs/dbraw/zinc/35/92/04/330359204.db2.gz ZBWGIMRTPKEJAY-GFCCVEGCSA-N 1 2 267.760 2.441 20 30 CEEDLO N/C(=N/O)[C@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000083767353 330359205 /nfs/dbraw/zinc/35/92/05/330359205.db2.gz ZBWGIMRTPKEJAY-GFCCVEGCSA-N 1 2 267.760 2.441 20 30 CEEDLO C=CC(C)(C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000451398784 331027586 /nfs/dbraw/zinc/02/75/86/331027586.db2.gz FKGKLDHKXDKNAA-UHFFFAOYSA-N 1 2 261.369 2.390 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451961357 331048377 /nfs/dbraw/zinc/04/83/77/331048377.db2.gz DMGOBTRXZUGDDS-AWEZNQCLSA-N 1 2 280.318 2.404 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451961357 331048378 /nfs/dbraw/zinc/04/83/78/331048378.db2.gz DMGOBTRXZUGDDS-AWEZNQCLSA-N 1 2 280.318 2.404 20 30 CEEDLO COCCN(CC#N)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000453602456 331135822 /nfs/dbraw/zinc/13/58/22/331135822.db2.gz WLDLKVVOIZOEEX-UHFFFAOYSA-N 1 2 284.363 2.153 20 30 CEEDLO C=CC(C)(C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000454704332 331151862 /nfs/dbraw/zinc/15/18/62/331151862.db2.gz AEFTUBGGHQREOO-ZDUSSCGKSA-N 1 2 288.395 2.172 20 30 CEEDLO C=C(C)CCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000455319827 331165963 /nfs/dbraw/zinc/16/59/63/331165963.db2.gz GXIMSCAXZZKEMD-LBPRGKRZSA-N 1 2 276.384 2.479 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)Nc1cccc(CC#N)c1 ZINC000455902180 331180140 /nfs/dbraw/zinc/18/01/40/331180140.db2.gz FZWFNGBCRXKGAT-UHFFFAOYSA-N 1 2 283.335 2.291 20 30 CEEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456410335 331192273 /nfs/dbraw/zinc/19/22/73/331192273.db2.gz GGEYVAYJHAURBO-NWDGAFQWSA-N 1 2 298.346 2.279 20 30 CEEDLO C=CCN(CC=C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459120335 331270773 /nfs/dbraw/zinc/27/07/73/331270773.db2.gz RFGNZORZQBTECO-GFCCVEGCSA-N 1 2 262.357 2.348 20 30 CEEDLO C#CCN(CC#CC)Cc1c[nH+]cn1Cc1ccccc1 ZINC000490740967 332111545 /nfs/dbraw/zinc/11/15/45/332111545.db2.gz RXYTVDGOBLHQSU-UHFFFAOYSA-N 1 2 277.371 2.390 20 30 CEEDLO C#CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000490781160 332115774 /nfs/dbraw/zinc/11/57/74/332115774.db2.gz XMDXYRHJNCINNZ-UHFFFAOYSA-N 1 2 276.340 2.096 20 30 CEEDLO C#CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000490781160 332115776 /nfs/dbraw/zinc/11/57/76/332115776.db2.gz XMDXYRHJNCINNZ-UHFFFAOYSA-N 1 2 276.340 2.096 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490850876 332120404 /nfs/dbraw/zinc/12/04/04/332120404.db2.gz CEVIFOYXGBQQKV-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000490850876 332120406 /nfs/dbraw/zinc/12/04/06/332120406.db2.gz CEVIFOYXGBQQKV-UHFFFAOYSA-N 1 2 295.726 2.142 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491285879 332181057 /nfs/dbraw/zinc/18/10/57/332181057.db2.gz FYQCLZFHEYLGQF-UKRRQHHQSA-N 1 2 287.363 2.046 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cnc(Cl)c(F)c1 ZINC000491453153 332214267 /nfs/dbraw/zinc/21/42/67/332214267.db2.gz PRYFOZGSQHSACH-UHFFFAOYSA-N 1 2 250.704 2.333 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cnc(Cl)c(F)c1 ZINC000491453153 332214269 /nfs/dbraw/zinc/21/42/69/332214269.db2.gz PRYFOZGSQHSACH-UHFFFAOYSA-N 1 2 250.704 2.333 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(C)(F)F)n1 ZINC000491547208 332235861 /nfs/dbraw/zinc/23/58/61/332235861.db2.gz ZOMWGWNPQIRETB-UHFFFAOYSA-N 1 2 285.338 2.010 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(C)(F)F)n1 ZINC000491547208 332235863 /nfs/dbraw/zinc/23/58/63/332235863.db2.gz ZOMWGWNPQIRETB-UHFFFAOYSA-N 1 2 285.338 2.010 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000491554643 332236958 /nfs/dbraw/zinc/23/69/58/332236958.db2.gz LAAUJQJOKDBGFG-AWEZNQCLSA-N 1 2 252.317 2.069 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccnc2ccccc12 ZINC000491554643 332236960 /nfs/dbraw/zinc/23/69/60/332236960.db2.gz LAAUJQJOKDBGFG-AWEZNQCLSA-N 1 2 252.317 2.069 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000491655693 332267869 /nfs/dbraw/zinc/26/78/69/332267869.db2.gz HBVGNZVAKPHEQY-GOEBONIOSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000491655693 332267870 /nfs/dbraw/zinc/26/78/70/332267870.db2.gz HBVGNZVAKPHEQY-GOEBONIOSA-N 1 2 270.376 2.222 20 30 CEEDLO C#CC[N@@H+](Cc1cnnn1CC)[C@H]1CCc2ccccc21 ZINC000491659475 332270099 /nfs/dbraw/zinc/27/00/99/332270099.db2.gz MVUNDNSGIWVQKH-KRWDZBQOSA-N 1 2 280.375 2.421 20 30 CEEDLO C#CC[N@H+](Cc1cnnn1CC)[C@H]1CCc2ccccc21 ZINC000491659475 332270102 /nfs/dbraw/zinc/27/01/02/332270102.db2.gz MVUNDNSGIWVQKH-KRWDZBQOSA-N 1 2 280.375 2.421 20 30 CEEDLO C#CCN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000491697671 332292770 /nfs/dbraw/zinc/29/27/70/332292770.db2.gz GUZNXBBGXHDLKU-UHFFFAOYSA-N 1 2 251.333 2.172 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000491728964 332311592 /nfs/dbraw/zinc/31/15/92/332311592.db2.gz MUYPKFJPBJUTKB-OAHLLOKOSA-N 1 2 268.360 2.322 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000491728964 332311594 /nfs/dbraw/zinc/31/15/94/332311594.db2.gz MUYPKFJPBJUTKB-OAHLLOKOSA-N 1 2 268.360 2.322 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000491747231 332324539 /nfs/dbraw/zinc/32/45/39/332324539.db2.gz CJROTLXUMZKLCA-CYBMUJFWSA-N 1 2 276.384 2.140 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491753661 332328985 /nfs/dbraw/zinc/32/89/85/332328985.db2.gz OWSNMKJDWCNPBU-OAHLLOKOSA-N 1 2 296.374 2.473 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000491810632 332363273 /nfs/dbraw/zinc/36/32/73/332363273.db2.gz JPGQHBXJHZJLTA-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000491810632 332363275 /nfs/dbraw/zinc/36/32/75/332363275.db2.gz JPGQHBXJHZJLTA-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000491817074 332367737 /nfs/dbraw/zinc/36/77/37/332367737.db2.gz UJZFSOMYWVHXPS-GFCCVEGCSA-N 1 2 285.391 2.262 20 30 CEEDLO C#CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C1CC1 ZINC000491817074 332367738 /nfs/dbraw/zinc/36/77/38/332367738.db2.gz UJZFSOMYWVHXPS-GFCCVEGCSA-N 1 2 285.391 2.262 20 30 CEEDLO C#CC[C@H](C)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491940447 332376301 /nfs/dbraw/zinc/37/63/01/332376301.db2.gz PIEWKJZJFCZWOR-YHAOYDPOSA-N 1 2 279.343 2.414 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172386237 335103786 /nfs/dbraw/zinc/10/37/86/335103786.db2.gz JIYXUVKNXXEIQS-DZGCQCFKSA-N 1 2 287.363 2.493 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172386237 335103788 /nfs/dbraw/zinc/10/37/88/335103788.db2.gz JIYXUVKNXXEIQS-DZGCQCFKSA-N 1 2 287.363 2.493 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC(C[NH+]2CC(C)(C#N)C2)CC1 ZINC000496830528 332561712 /nfs/dbraw/zinc/56/17/12/332561712.db2.gz UOGWUVCSRXJDMK-UHFFFAOYSA-N 1 2 293.411 2.479 20 30 CEEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1Cl ZINC000505661490 332748283 /nfs/dbraw/zinc/74/82/83/332748283.db2.gz NBQSNRZCXIKAJP-ZDUSSCGKSA-N 1 2 288.738 2.308 20 30 CEEDLO COc1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000227351936 333281356 /nfs/dbraw/zinc/28/13/56/333281356.db2.gz IZSBQUSWSPFTCF-UHFFFAOYSA-N 1 2 287.363 2.259 20 30 CEEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)o1 ZINC000541688604 333786878 /nfs/dbraw/zinc/78/68/78/333786878.db2.gz SQEGFXXNYGIJIA-SNVBAGLBSA-N 1 2 259.284 2.219 20 30 CEEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000547294037 334076227 /nfs/dbraw/zinc/07/62/27/334076227.db2.gz IICXWDROOWZPGA-ZDUSSCGKSA-N 1 2 275.352 2.186 20 30 CEEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000547294037 334076228 /nfs/dbraw/zinc/07/62/28/334076228.db2.gz IICXWDROOWZPGA-ZDUSSCGKSA-N 1 2 275.352 2.186 20 30 CEEDLO C=CCN(CCc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000547539715 334099904 /nfs/dbraw/zinc/09/99/04/334099904.db2.gz SAEIIRCKSWJKNY-UHFFFAOYSA-N 1 2 283.375 2.220 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000134993336 334111228 /nfs/dbraw/zinc/11/12/28/334111228.db2.gz LFLVIUAEVDLSSA-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000134993336 334111229 /nfs/dbraw/zinc/11/12/29/334111229.db2.gz LFLVIUAEVDLSSA-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO COC(=O)c1csc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000564916565 334527772 /nfs/dbraw/zinc/52/77/72/334527772.db2.gz OPVWDBUOLMBLHM-UHFFFAOYSA-N 1 2 293.392 2.445 20 30 CEEDLO Cc1cccn2cc(CC(=O)N(C)CC(C)(C)C#N)[nH+]c12 ZINC000569255150 334863743 /nfs/dbraw/zinc/86/37/43/334863743.db2.gz DMFDUIDTOBIHDR-UHFFFAOYSA-N 1 2 284.363 2.193 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CCC#N)CC1 ZINC000576647450 335230843 /nfs/dbraw/zinc/23/08/43/335230843.db2.gz FAQZIBCOQWMOJR-LBPRGKRZSA-N 1 2 274.368 2.131 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CCC#N)CC1 ZINC000576647450 335230844 /nfs/dbraw/zinc/23/08/44/335230844.db2.gz FAQZIBCOQWMOJR-LBPRGKRZSA-N 1 2 274.368 2.131 20 30 CEEDLO 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C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000862530685 646486156 /nfs/dbraw/zinc/48/61/56/646486156.db2.gz QLWWRVKCHXOTOR-HNNXBMFYSA-N 1 2 277.339 2.259 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000862530685 646486159 /nfs/dbraw/zinc/48/61/59/646486159.db2.gz QLWWRVKCHXOTOR-HNNXBMFYSA-N 1 2 277.339 2.259 20 30 CEEDLO CC[C@H](CC#N)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000771756364 646548420 /nfs/dbraw/zinc/54/84/20/646548420.db2.gz LKIHWYZDANHDBA-LLVKDONJSA-N 1 2 275.356 2.270 20 30 CEEDLO C[C@H](CC#N)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000771886405 646565171 /nfs/dbraw/zinc/56/51/71/646565171.db2.gz VXRXWZQPTHRGFP-CYBMUJFWSA-N 1 2 256.353 2.140 20 30 CEEDLO C[C@H](CC#N)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000771886405 646565175 /nfs/dbraw/zinc/56/51/75/646565175.db2.gz VXRXWZQPTHRGFP-CYBMUJFWSA-N 1 2 256.353 2.140 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772324274 646619842 /nfs/dbraw/zinc/61/98/42/646619842.db2.gz MIYBMIUVEFJXOK-CHWSQXEVSA-N 1 2 266.385 2.339 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285.391 2.097 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000777961025 647192346 /nfs/dbraw/zinc/19/23/46/647192346.db2.gz RPDMKSYDYUBQIY-INIZCTEOSA-N 1 2 293.411 2.343 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000777961025 647192348 /nfs/dbraw/zinc/19/23/48/647192348.db2.gz RPDMKSYDYUBQIY-INIZCTEOSA-N 1 2 293.411 2.343 20 30 CEEDLO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000865582244 647370986 /nfs/dbraw/zinc/37/09/86/647370986.db2.gz DPGVWCSRTCCHBB-AWEZNQCLSA-N 1 2 281.363 2.055 20 30 CEEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[N@H+](CCF)C2)n1 ZINC000865927430 647538780 /nfs/dbraw/zinc/53/87/80/647538780.db2.gz BSSUBUALCCWSIW-CYBMUJFWSA-N 1 2 262.332 2.108 20 30 CEEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865927430 647538783 /nfs/dbraw/zinc/53/87/83/647538783.db2.gz BSSUBUALCCWSIW-CYBMUJFWSA-N 1 2 262.332 2.108 20 30 CEEDLO OC[C@]12C[C@H]1C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000782626628 647646690 /nfs/dbraw/zinc/64/66/90/647646690.db2.gz 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C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC(C#N)CC1 ZINC000869104844 648351594 /nfs/dbraw/zinc/35/15/94/648351594.db2.gz OYKSOOPFXAIMDJ-INIZCTEOSA-N 1 2 298.390 2.118 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC(C#N)CC1 ZINC000869104844 648351597 /nfs/dbraw/zinc/35/15/97/648351597.db2.gz OYKSOOPFXAIMDJ-INIZCTEOSA-N 1 2 298.390 2.118 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000869186559 648371612 /nfs/dbraw/zinc/37/16/12/648371612.db2.gz FTUFEOZYQUXUIV-HNNXBMFYSA-N 1 2 293.370 2.287 20 30 CEEDLO COc1cccc(C=NNc2[nH+]ccn2C)c1OC(F)F ZINC000790299465 648403110 /nfs/dbraw/zinc/40/31/10/648403110.db2.gz CEAFPWJCNDMTJI-UHFFFAOYSA-N 1 2 296.277 2.476 20 30 CEEDLO COc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1C#N ZINC000790981913 648467943 /nfs/dbraw/zinc/46/79/43/648467943.db2.gz AZYUXSHPGDDHME-UHFFFAOYSA-N 1 2 299.378 2.203 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc2c(c1)sc(=O)n2C ZINC000792829207 648678436 /nfs/dbraw/zinc/67/84/36/648678436.db2.gz PGITYFMFDMGVMC-UHFFFAOYSA-N 1 2 284.384 2.059 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc2c(c1)sc(=O)n2C ZINC000792829207 648678437 /nfs/dbraw/zinc/67/84/37/648678437.db2.gz PGITYFMFDMGVMC-UHFFFAOYSA-N 1 2 284.384 2.059 20 30 CEEDLO Cc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)no1 ZINC000123384145 648946956 /nfs/dbraw/zinc/94/69/56/648946956.db2.gz IYNSGYRTAGABQO-UHFFFAOYSA-N 1 2 263.272 2.268 20 30 CEEDLO CC(C)OCC(Cc1ccc(F)cc1)=[NH+]n1cnnc1 ZINC000872324130 649357830 /nfs/dbraw/zinc/35/78/30/649357830.db2.gz LMWANIRRUYUJJW-UHFFFAOYSA-N 1 2 276.315 2.289 20 30 CEEDLO Cc1cncc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000879750135 651347005 /nfs/dbraw/zinc/34/70/05/651347005.db2.gz QCZPOTNLXROFHQ-OAHLLOKOSA-N 1 2 298.390 2.089 20 30 CEEDLO Cc1cncc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000879750135 651347007 /nfs/dbraw/zinc/34/70/07/651347007.db2.gz QCZPOTNLXROFHQ-OAHLLOKOSA-N 1 2 298.390 2.089 20 30 CEEDLO CCOC(=O)[C@H](CC1CC1)[NH2+]CCc1ccc(C#N)cc1 ZINC000879981506 651369269 /nfs/dbraw/zinc/36/92/69/651369269.db2.gz 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811427307 /nfs/dbraw/zinc/42/73/07/811427307.db2.gz AKURFASFNNJYCH-UHFFFAOYSA-N 1 2 282.796 2.181 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001044017492 811428873 /nfs/dbraw/zinc/42/88/73/811428873.db2.gz WOEZTIJBYLIHNM-FGTMMUONSA-N 1 2 296.414 2.291 20 30 CEEDLO C#C[C@](C)(CC)Nc1cc[nH+]c2[nH]cc(CC(=O)OC)c21 ZINC001169700061 811629807 /nfs/dbraw/zinc/62/98/07/811629807.db2.gz GTYDWYYKOZKIAJ-MRXNPFEDSA-N 1 2 285.347 2.492 20 30 CEEDLO N#C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169781861 811669138 /nfs/dbraw/zinc/66/91/38/811669138.db2.gz ATCYFGDRRMFPFS-GOEBONIOSA-N 1 2 283.375 2.137 20 30 CEEDLO N#C[C@@H]1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169781861 811669143 /nfs/dbraw/zinc/66/91/43/811669143.db2.gz ATCYFGDRRMFPFS-GOEBONIOSA-N 1 2 283.375 2.137 20 30 CEEDLO C=CC[C@H](Nc1ccc(Cn2cc[nH+]c2)cc1)C(=O)OC ZINC001169842368 811684746 /nfs/dbraw/zinc/68/47/46/811684746.db2.gz VTBNNNJZVUMLOO-HNNXBMFYSA-N 1 2 285.347 2.461 20 30 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C=CCCCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC001113279758 812203914 /nfs/dbraw/zinc/20/39/14/812203914.db2.gz FCHVGJGNVNOEFD-UHFFFAOYSA-N 1 2 287.407 2.391 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC001113280053 812204267 /nfs/dbraw/zinc/20/42/67/812204267.db2.gz VLABXEITAGBKQF-UHFFFAOYSA-N 1 2 287.407 2.391 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001049952055 812239212 /nfs/dbraw/zinc/23/92/12/812239212.db2.gz ONEJHFIVQOJRSE-WDEREUQCSA-N 1 2 292.757 2.317 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001049952055 812239225 /nfs/dbraw/zinc/23/92/25/812239225.db2.gz ONEJHFIVQOJRSE-WDEREUQCSA-N 1 2 292.757 2.317 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC001113596502 812283697 /nfs/dbraw/zinc/28/36/97/812283697.db2.gz MRQNNKTZHGFJBH-UHFFFAOYSA-N 1 2 278.318 2.295 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CCCC1)CO2 ZINC001053726758 812512514 /nfs/dbraw/zinc/51/25/14/812512514.db2.gz MGLWWAXBNIHZQU-OAHLLOKOSA-N 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C=C[C@@H](CC)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001132662892 812920387 /nfs/dbraw/zinc/92/03/87/812920387.db2.gz LNWSDPYQJLFARB-NEPJUHHUSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C(CC)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001123938899 815575184 /nfs/dbraw/zinc/57/51/84/815575184.db2.gz PKRDXOAJOUKJCL-OAHLLOKOSA-N 1 2 274.364 2.134 20 30 CEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098068834 813146641 /nfs/dbraw/zinc/14/66/41/813146641.db2.gz AHTTXVDCXCFARJ-GFCCVEGCSA-N 1 2 288.395 2.470 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnc2)CC[C@@H]1C ZINC001071293271 813351121 /nfs/dbraw/zinc/35/11/21/813351121.db2.gz CALJUYRGSXKWLO-GXTWGEPZSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnc2)CC[C@@H]1C ZINC001071293271 813351128 /nfs/dbraw/zinc/35/11/28/813351128.db2.gz CALJUYRGSXKWLO-GXTWGEPZSA-N 1 2 293.798 2.417 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001072076429 813540013 /nfs/dbraw/zinc/54/00/13/813540013.db2.gz OVKSJECDHRQWHR-VHSXEESVSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001072076429 813540017 /nfs/dbraw/zinc/54/00/17/813540017.db2.gz OVKSJECDHRQWHR-VHSXEESVSA-N 1 2 297.811 2.012 20 30 CEEDLO CC(C)C#CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001136270077 813659586 /nfs/dbraw/zinc/65/95/86/813659586.db2.gz FGUDZCCDAKEGGK-UHFFFAOYSA-N 1 2 253.305 2.470 20 30 CEEDLO Cc1cccn2c(CN3C[C@@H](F)C[C@H]3C#N)c[nH+]c12 ZINC001136965922 813805857 /nfs/dbraw/zinc/80/58/57/813805857.db2.gz FCQDBAMMWQEFPX-RYUDHWBXSA-N 1 2 258.300 2.079 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2C#N)CC[C@@H]1O ZINC001143716188 813864199 /nfs/dbraw/zinc/86/41/99/813864199.db2.gz GKKIUIBFCOHQFS-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@@H]1O ZINC001143716188 813864209 /nfs/dbraw/zinc/86/42/09/813864209.db2.gz GKKIUIBFCOHQFS-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C(=[NH+]N[C@@H]1CCCOC1)c1ccc(N2CCCCC2)o1 ZINC000780256882 813955192 /nfs/dbraw/zinc/95/51/92/813955192.db2.gz DHVVYGWCKOFRMP-CYBMUJFWSA-N 1 2 277.368 2.372 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C1CC1 ZINC001171181710 814065316 /nfs/dbraw/zinc/06/53/16/814065316.db2.gz OCAZCZMCQURQHN-NHYWBVRUSA-N 1 2 272.348 2.030 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)OCC)cc1 ZINC001144568303 814118320 /nfs/dbraw/zinc/11/83/20/814118320.db2.gz PSFPXLHRCIXXMX-WBVHZDCISA-N 1 2 269.344 2.195 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)OCC)cc1 ZINC001144568303 814118324 /nfs/dbraw/zinc/11/83/24/814118324.db2.gz PSFPXLHRCIXXMX-WBVHZDCISA-N 1 2 269.344 2.195 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101916201 814338405 /nfs/dbraw/zinc/33/84/05/814338405.db2.gz QQRFTDPBFREFGP-LBPRGKRZSA-N 1 2 276.384 2.258 20 30 CEEDLO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987872 814349901 /nfs/dbraw/zinc/34/99/01/814349901.db2.gz JUBKHLDLCFSRFL-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987872 814349906 /nfs/dbraw/zinc/34/99/06/814349906.db2.gz JUBKHLDLCFSRFL-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987872 814349915 /nfs/dbraw/zinc/34/99/15/814349915.db2.gz JUBKHLDLCFSRFL-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987872 814349920 /nfs/dbraw/zinc/34/99/20/814349920.db2.gz JUBKHLDLCFSRFL-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCCCC(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102757875 814423515 /nfs/dbraw/zinc/42/35/15/814423515.db2.gz RMWAAZMPBJSTLS-AWEZNQCLSA-N 1 2 288.395 2.178 20 30 CEEDLO CCN(C(=O)c1cccc([C@H](C)C#N)c1)C1C[NH+](C)C1 ZINC001148615314 814596751 /nfs/dbraw/zinc/59/67/51/814596751.db2.gz LHIYNDOSOMEZKH-GFCCVEGCSA-N 1 2 271.364 2.090 20 30 CEEDLO C#CCCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCC1 ZINC001111793488 814608625 /nfs/dbraw/zinc/60/86/25/814608625.db2.gz XPNKLRINTQWNEJ-UHFFFAOYSA-N 1 2 286.379 2.039 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCSC ZINC000799200318 814713884 /nfs/dbraw/zinc/71/38/84/814713884.db2.gz HHZYHESIQKQEBX-AWEZNQCLSA-N 1 2 292.404 2.457 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCSC ZINC000799200318 814713890 /nfs/dbraw/zinc/71/38/90/814713890.db2.gz HHZYHESIQKQEBX-AWEZNQCLSA-N 1 2 292.404 2.457 20 30 CEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095062853 815624905 /nfs/dbraw/zinc/62/49/05/815624905.db2.gz GJVZPEXDVCTCMY-CYBMUJFWSA-N 1 2 288.395 2.400 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC)cc1OC ZINC001138349164 815773892 /nfs/dbraw/zinc/77/38/92/815773892.db2.gz TUPWVYRETRRLKA-HNNXBMFYSA-N 1 2 289.375 2.318 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC)cc1OC ZINC001138349164 815773896 /nfs/dbraw/zinc/77/38/96/815773896.db2.gz TUPWVYRETRRLKA-HNNXBMFYSA-N 1 2 289.375 2.318 20 30 CEEDLO C[C@@H](C#N)N(C)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138565492 815830594 /nfs/dbraw/zinc/83/05/94/815830594.db2.gz OVVGZCOJQKRIKS-ZDUSSCGKSA-N 1 2 254.337 2.275 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(OCC(C)C)cc2)CC1 ZINC001138970836 815939834 /nfs/dbraw/zinc/93/98/34/815939834.db2.gz ZPFHXDHNCSSDNP-UHFFFAOYSA-N 1 2 286.419 2.472 20 30 CEEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1OC(C)=O ZINC001138999913 815943125 /nfs/dbraw/zinc/94/31/25/815943125.db2.gz IJVKNDSDHSYZKL-UHFFFAOYSA-N 1 2 288.347 2.356 20 30 CEEDLO Cn1cnc(C#N)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523385 816035120 /nfs/dbraw/zinc/03/51/20/816035120.db2.gz ZYJXGYOMFLXECQ-UHFFFAOYSA-N 1 2 282.351 2.421 20 30 CEEDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139530613 816040483 /nfs/dbraw/zinc/04/04/83/816040483.db2.gz RERQGWZPFQWMAI-AWEZNQCLSA-N 1 2 278.327 2.327 20 30 CEEDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139530613 816040487 /nfs/dbraw/zinc/04/04/87/816040487.db2.gz RERQGWZPFQWMAI-AWEZNQCLSA-N 1 2 278.327 2.327 20 30 CEEDLO C=CCn1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cn1 ZINC001139766620 816110809 /nfs/dbraw/zinc/11/08/09/816110809.db2.gz RGSVNEOJSSXNAL-LSDHHAIUSA-N 1 2 273.380 2.403 20 30 CEEDLO C=CCn1cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cn1 ZINC001139766620 816110812 /nfs/dbraw/zinc/11/08/12/816110812.db2.gz RGSVNEOJSSXNAL-LSDHHAIUSA-N 1 2 273.380 2.403 20 30 CEEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(F)n3)CC2)c1 ZINC001140134282 816197818 /nfs/dbraw/zinc/19/78/18/816197818.db2.gz HDAAGQHKEZVXKQ-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(C2CCC2)c1 ZINC001175761975 816280177 /nfs/dbraw/zinc/28/01/77/816280177.db2.gz XCYSHVZXBASZBY-UHFFFAOYSA-N 1 2 271.324 2.247 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)cn1 ZINC001140539886 816281052 /nfs/dbraw/zinc/28/10/52/816281052.db2.gz CBALCHZNZIUBMG-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cn1 ZINC001140539886 816281059 /nfs/dbraw/zinc/28/10/59/816281059.db2.gz CBALCHZNZIUBMG-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#Cc1c(N)sc(C[NH+]2CC3(C2)CCCOC3)c1Cl ZINC001141106708 816473736 /nfs/dbraw/zinc/47/37/36/816473736.db2.gz FTRMECBZCMSXPA-UHFFFAOYSA-N 1 2 297.811 2.468 20 30 CEEDLO C[C@@H](C#N)c1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001176832042 816481038 /nfs/dbraw/zinc/48/10/38/816481038.db2.gz FZRYRRFQZAYNNI-JTQLQIEISA-N 1 2 254.293 2.218 20 30 CEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001141166704 816493923 /nfs/dbraw/zinc/49/39/23/816493923.db2.gz GXMCPJKBVDKWMU-UHFFFAOYSA-N 1 2 285.326 2.126 20 30 CEEDLO C#CC1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC001176965145 816501304 /nfs/dbraw/zinc/50/13/04/816501304.db2.gz NQJMPACAFSWCTQ-INIZCTEOSA-N 1 2 297.402 2.170 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)CN(C)c1cccc[nH+]1 ZINC001177412814 816558599 /nfs/dbraw/zinc/55/85/99/816558599.db2.gz KMCAXHQRLWRRRG-UHFFFAOYSA-N 1 2 296.330 2.037 20 30 CEEDLO CN(CC(=O)N(CC#N)Cc1ccccc1)c1cccc[nH+]1 ZINC001177412900 816559270 /nfs/dbraw/zinc/55/92/70/816559270.db2.gz XTHDSRLUEMNVCJ-UHFFFAOYSA-N 1 2 294.358 2.070 20 30 CEEDLO CC[N@H+](CCOC)Cc1c(F)ccc(C#N)c1F ZINC001143163420 816796069 /nfs/dbraw/zinc/79/60/69/816796069.db2.gz FVGMTZYBCGHKJI-UHFFFAOYSA-N 1 2 254.280 2.305 20 30 CEEDLO CC[N@@H+](CCOC)Cc1c(F)ccc(C#N)c1F ZINC001143163420 816796071 /nfs/dbraw/zinc/79/60/71/816796071.db2.gz FVGMTZYBCGHKJI-UHFFFAOYSA-N 1 2 254.280 2.305 20 30 CEEDLO N#C[C@@H]1C[N@@H+](Cc2ccco2)C[C@]12C(=O)Nc1ccccc12 ZINC000336383608 365566026 /nfs/dbraw/zinc/56/60/26/365566026.db2.gz BCQNZCUEWPTEON-PXAZEXFGSA-N 1 2 293.326 2.125 20 30 CEEDLO N#C[C@@H]1C[N@H+](Cc2ccco2)C[C@]12C(=O)Nc1ccccc12 ZINC000336383608 365566031 /nfs/dbraw/zinc/56/60/31/365566031.db2.gz BCQNZCUEWPTEON-PXAZEXFGSA-N 1 2 293.326 2.125 20 30 CEEDLO N#Cc1ccsc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121417268 365566497 /nfs/dbraw/zinc/56/64/97/365566497.db2.gz VMMSIVYNUFPPFV-ZDUSSCGKSA-N 1 2 299.355 2.308 20 30 CEEDLO CCc1nnc(N[C@@H](C)Cn2cc[nH+]c2)c(C#N)c1CC ZINC000124930740 187162092 /nfs/dbraw/zinc/16/20/92/187162092.db2.gz MSZVCUAWALXTOA-NSHDSACASA-N 1 2 284.367 2.170 20 30 CEEDLO C[C@@H]1C[NH+](CC(=O)Nc2sccc2C#N)C[C@@H](C)S1 ZINC000336584882 365679452 /nfs/dbraw/zinc/67/94/52/365679452.db2.gz MPAPFZCEBWOSTA-NXEZZACHSA-N 1 2 295.433 2.384 20 30 CEEDLO C=CC[N@@H+](CCc1scnc1C)CC(=O)OCC ZINC000096811141 185115645 /nfs/dbraw/zinc/11/56/45/185115645.db2.gz ZYKRSCCLJXXIQP-UHFFFAOYSA-N 1 2 268.382 2.045 20 30 CEEDLO C=CC[N@H+](CCc1scnc1C)CC(=O)OCC ZINC000096811141 185115646 /nfs/dbraw/zinc/11/56/46/185115646.db2.gz ZYKRSCCLJXXIQP-UHFFFAOYSA-N 1 2 268.382 2.045 20 30 CEEDLO COc1cccc2c1C[C@H](Nc1cc(C)[nH+]cc1C#N)C2 ZINC000567720868 299081589 /nfs/dbraw/zinc/08/15/89/299081589.db2.gz KATRYQCLJMTLIZ-CQSZACIVSA-N 1 2 279.343 2.272 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(C3CC3)cs2)[N@H+](C)C1 ZINC000328944516 539188588 /nfs/dbraw/zinc/18/85/88/539188588.db2.gz LTHGYTIPCDQNTL-ONGXEEELSA-N 1 2 281.381 2.328 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(C3CC3)cs2)[N@@H+](C)C1 ZINC000328944516 539188590 /nfs/dbraw/zinc/18/85/90/539188590.db2.gz LTHGYTIPCDQNTL-ONGXEEELSA-N 1 2 281.381 2.328 20 30 CEEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000125951160 187206614 /nfs/dbraw/zinc/20/66/14/187206614.db2.gz WSOJQGWNULIAFT-KZULUSFZSA-N 1 2 283.824 2.390 20 30 CEEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000125951160 187206615 /nfs/dbraw/zinc/20/66/15/187206615.db2.gz WSOJQGWNULIAFT-KZULUSFZSA-N 1 2 283.824 2.390 20 30 CEEDLO COCC#CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000677819822 539270183 /nfs/dbraw/zinc/27/01/83/539270183.db2.gz AYXFHBAFLCSPLV-IUCAKERBSA-N 1 2 289.219 2.309 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)CSCC#N)cc2[nH+]1 ZINC000042025263 362055850 /nfs/dbraw/zinc/05/58/50/362055850.db2.gz ZKNKUTYNZSKUKD-UHFFFAOYSA-N 1 2 260.322 2.067 20 30 CEEDLO CCn1nccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126932230 365727543 /nfs/dbraw/zinc/72/75/43/365727543.db2.gz SPMXAIKRVMCWGG-UHFFFAOYSA-N 1 2 295.390 2.097 20 30 CEEDLO C=C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)C(=O)OC ZINC000601942129 346935196 /nfs/dbraw/zinc/93/51/96/346935196.db2.gz RGWSPYAGDDNDJE-CHWSQXEVSA-N 1 2 267.369 2.043 20 30 CEEDLO C#CC[NH+]1CCN(c2ncnc3sc(CC)cc32)CC1 ZINC000024202056 343383345 /nfs/dbraw/zinc/38/33/45/343383345.db2.gz GSSUQZZYRNOBHA-UHFFFAOYSA-N 1 2 286.404 2.009 20 30 CEEDLO CN(CC[NH+]1CCOCC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000041483807 343440969 /nfs/dbraw/zinc/44/09/69/343440969.db2.gz MTXCFBXKVZDWPT-OAHLLOKOSA-N 1 2 293.798 2.169 20 30 CEEDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(C#N)cc1 ZINC000081009150 344033314 /nfs/dbraw/zinc/03/33/14/344033314.db2.gz FTBDODVNGDKDID-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(C#N)cc1 ZINC000081009150 344033318 /nfs/dbraw/zinc/03/33/18/344033318.db2.gz FTBDODVNGDKDID-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO CN(C[C@H](O)CC1(C#N)CC1)c1[nH]c2ccccc2[nH+]1 ZINC000601955121 346942229 /nfs/dbraw/zinc/94/22/29/346942229.db2.gz AJERIGAQDOTSBZ-LLVKDONJSA-N 1 2 270.336 2.054 20 30 CEEDLO C=C(Cl)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000049970889 343540103 /nfs/dbraw/zinc/54/01/03/343540103.db2.gz BTHOPYKOJSSUCM-UHFFFAOYSA-N 1 2 275.783 2.428 20 30 CEEDLO N#Cc1cccnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000052185072 343557075 /nfs/dbraw/zinc/55/70/75/343557075.db2.gz IHYNPBSGAQNUCP-UHFFFAOYSA-N 1 2 279.347 2.429 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)o1 ZINC000601974876 346947948 /nfs/dbraw/zinc/94/79/48/346947948.db2.gz WPTWQZGSQGLGIL-NSHDSACASA-N 1 2 256.252 2.007 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)o1 ZINC000601974876 346947950 /nfs/dbraw/zinc/94/79/50/346947950.db2.gz WPTWQZGSQGLGIL-NSHDSACASA-N 1 2 256.252 2.007 20 30 CEEDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000128345811 365785006 /nfs/dbraw/zinc/78/50/06/365785006.db2.gz ZDMHHQCAGDCAKR-UHFFFAOYSA-N 1 2 291.420 2.310 20 30 CEEDLO C#CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CCCCC1 ZINC000062465486 343671504 /nfs/dbraw/zinc/67/15/04/343671504.db2.gz IWCDKOICPLELCE-AWEZNQCLSA-N 1 2 288.395 2.249 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000063347173 343676702 /nfs/dbraw/zinc/67/67/02/343676702.db2.gz WPJYSEUVYMNSRO-HZPDHXFCSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000063347173 343676703 /nfs/dbraw/zinc/67/67/03/343676703.db2.gz WPJYSEUVYMNSRO-HZPDHXFCSA-N 1 2 299.374 2.140 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1ccc(C)cc1)C[C@@H](C)C#N ZINC000060038307 343654329 /nfs/dbraw/zinc/65/43/29/343654329.db2.gz ZQCFEMFOEOOVDW-AWEZNQCLSA-N 1 2 273.380 2.093 20 30 CEEDLO CC[N@H+](CC(=O)NCc1ccc(C)cc1)C[C@@H](C)C#N ZINC000060038307 343654330 /nfs/dbraw/zinc/65/43/30/343654330.db2.gz ZQCFEMFOEOOVDW-AWEZNQCLSA-N 1 2 273.380 2.093 20 30 CEEDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)Cn1cc[nH+]c1 ZINC000060380123 343657823 /nfs/dbraw/zinc/65/78/23/343657823.db2.gz NNLSOTOZYDWIHA-NSHDSACASA-N 1 2 285.307 2.411 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@H](C)C#N ZINC000060569249 343660507 /nfs/dbraw/zinc/66/05/07/343660507.db2.gz 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267.332 2.464 20 30 CEEDLO C[S@@](=O)C[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592097219 345321511 /nfs/dbraw/zinc/32/15/11/345321511.db2.gz HHKGMLQLBGXECI-HRAATJIYSA-N 1 2 299.399 2.163 20 30 CEEDLO Cc1ccc(C[N@H+](CCO)Cc2ccncc2C#N)cc1 ZINC000592099303 345322110 /nfs/dbraw/zinc/32/21/10/345322110.db2.gz FDWNEDJXMSKTMV-UHFFFAOYSA-N 1 2 281.359 2.256 20 30 CEEDLO Cc1ccc(C[N@@H+](CCO)Cc2ccncc2C#N)cc1 ZINC000592099303 345322113 /nfs/dbraw/zinc/32/21/13/345322113.db2.gz FDWNEDJXMSKTMV-UHFFFAOYSA-N 1 2 281.359 2.256 20 30 CEEDLO Cc1cc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c(C#N)c[nH+]1 ZINC000591825398 345285800 /nfs/dbraw/zinc/28/58/00/345285800.db2.gz IKSZMBWPCQOPDQ-NVXWUHKLSA-N 1 2 294.358 2.411 20 30 CEEDLO COCC#CC[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000591852944 345287818 /nfs/dbraw/zinc/28/78/18/345287818.db2.gz SQTPMEOYESZWNK-KGLIPLIRSA-N 1 2 281.396 2.078 20 30 CEEDLO COCC#CC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000591852944 345287822 /nfs/dbraw/zinc/28/78/22/345287822.db2.gz 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ZINC000593421619 345481711 /nfs/dbraw/zinc/48/17/11/345481711.db2.gz VIUQBRBNTWNEEX-LBPRGKRZSA-N 1 2 286.310 2.177 20 30 CEEDLO CC[C@H](C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000593421618 345482003 /nfs/dbraw/zinc/48/20/03/345482003.db2.gz VIUQBRBNTWNEEX-GFCCVEGCSA-N 1 2 286.310 2.177 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccc(C#N)c1 ZINC000593973716 345558758 /nfs/dbraw/zinc/55/87/58/345558758.db2.gz VDRBDBKKSYWZIA-MNOVXSKESA-N 1 2 267.336 2.173 20 30 CEEDLO CC(C)(C(=O)N1Cc2ccc(C#N)cc2C1)c1c[nH+]c[nH]1 ZINC000594400620 345621513 /nfs/dbraw/zinc/62/15/13/345621513.db2.gz ROHPLKBNZAEIEG-UHFFFAOYSA-N 1 2 280.331 2.101 20 30 CEEDLO CC(C)(CCC#N)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000594508859 345640365 /nfs/dbraw/zinc/64/03/65/345640365.db2.gz CWAWPGHIDJDUDX-LLVKDONJSA-N 1 2 277.372 2.076 20 30 CEEDLO N#CCCCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000594538909 345644868 /nfs/dbraw/zinc/64/48/68/345644868.db2.gz LDMPRZYFXOGBJQ-QWHCGFSZSA-N 1 2 290.367 2.232 20 30 CEEDLO N#CCCCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000594538909 345644869 /nfs/dbraw/zinc/64/48/69/345644869.db2.gz LDMPRZYFXOGBJQ-QWHCGFSZSA-N 1 2 290.367 2.232 20 30 CEEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000057907564 362600513 /nfs/dbraw/zinc/60/05/13/362600513.db2.gz JVGAMOMFAHTDHT-UHFFFAOYSA-N 1 2 291.782 2.192 20 30 CEEDLO Cc1nsc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000594592752 345654172 /nfs/dbraw/zinc/65/41/72/345654172.db2.gz VPMQGWPDDAWEKB-MXWKQRLJSA-N 1 2 294.424 2.233 20 30 CEEDLO Cc1nsc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000594592752 345654175 /nfs/dbraw/zinc/65/41/75/345654175.db2.gz VPMQGWPDDAWEKB-MXWKQRLJSA-N 1 2 294.424 2.233 20 30 CEEDLO Cc1c[nH+]c(CCNc2cncc(C#N)n2)c(C)c1 ZINC000594596187 345654982 /nfs/dbraw/zinc/65/49/82/345654982.db2.gz PJXXPEBXOBFFJB-UHFFFAOYSA-N 1 2 253.309 2.015 20 30 CEEDLO N#CCC[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594718977 345678784 /nfs/dbraw/zinc/67/87/84/345678784.db2.gz XXHWEYAAXFDYLT-SNVBAGLBSA-N 1 2 250.264 2.380 20 30 CEEDLO CCC[C@@](C)([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000595318405 345761485 /nfs/dbraw/zinc/76/14/85/345761485.db2.gz KOGRTXKAHVQJTO-MRXNPFEDSA-N 1 2 274.364 2.422 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595481492 345793078 /nfs/dbraw/zinc/79/30/78/345793078.db2.gz OJMIAWIBAULQCT-SNVBAGLBSA-N 1 2 251.286 2.432 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595481492 345793082 /nfs/dbraw/zinc/79/30/82/345793082.db2.gz OJMIAWIBAULQCT-SNVBAGLBSA-N 1 2 251.286 2.432 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000595669522 345844410 /nfs/dbraw/zinc/84/44/10/345844410.db2.gz VZYCPPFKKZXLSE-UHIISALHSA-N 1 2 294.424 2.237 20 30 CEEDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000595615478 345828262 /nfs/dbraw/zinc/82/82/62/345828262.db2.gz HGVJVAATMYZBRY-LBPRGKRZSA-N 1 2 261.373 2.159 20 30 CEEDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000595615478 345828264 /nfs/dbraw/zinc/82/82/64/345828264.db2.gz HGVJVAATMYZBRY-LBPRGKRZSA-N 1 2 261.373 2.159 20 30 CEEDLO C=CCCSCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000595641746 345835834 /nfs/dbraw/zinc/83/58/34/345835834.db2.gz CXCDVOMWNOGUDT-VXGBXAGGSA-N 1 2 294.424 2.497 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595644249 345836267 /nfs/dbraw/zinc/83/62/67/345836267.db2.gz UGNAPOIAJFJUGO-OLZOCXBDSA-N 1 2 289.383 2.299 20 30 CEEDLO CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595836526 345892675 /nfs/dbraw/zinc/89/26/75/345892675.db2.gz ZJRMYKQJPWNSDY-XUJLQICISA-N 1 2 277.412 2.259 20 30 CEEDLO CC1CCC(N(C)C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595836526 345892676 /nfs/dbraw/zinc/89/26/76/345892676.db2.gz ZJRMYKQJPWNSDY-XUJLQICISA-N 1 2 277.412 2.259 20 30 CEEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836908 345893061 /nfs/dbraw/zinc/89/30/61/345893061.db2.gz AXJWWZWSRQUFKY-YJBOKZPZSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836908 345893063 /nfs/dbraw/zinc/89/30/63/345893063.db2.gz AXJWWZWSRQUFKY-YJBOKZPZSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1cccc2[nH+]c(CN3CC[C@](C)(C#N)C3)cn21 ZINC000595838343 345893958 /nfs/dbraw/zinc/89/39/58/345893958.db2.gz ANNHIRBRIGKILV-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO C[C@]1(C#N)CCN(C/C=C/C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841842 345895396 /nfs/dbraw/zinc/89/53/96/345895396.db2.gz AGVMEZNTZTZVAB-OBMMGQTPSA-N 1 2 272.396 2.014 20 30 CEEDLO C[C@]1(C#N)CCN(C/C=C/C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595841842 345895398 /nfs/dbraw/zinc/89/53/98/345895398.db2.gz AGVMEZNTZTZVAB-OBMMGQTPSA-N 1 2 272.396 2.014 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595842075 345896412 /nfs/dbraw/zinc/89/64/12/345896412.db2.gz XSLGTPNZFITUHF-CQSZACIVSA-N 1 2 275.308 2.209 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595842075 345896415 /nfs/dbraw/zinc/89/64/15/345896415.db2.gz XSLGTPNZFITUHF-CQSZACIVSA-N 1 2 275.308 2.209 20 30 CEEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1nnc2n1CCCCC2 ZINC000595798349 345877969 /nfs/dbraw/zinc/87/79/69/345877969.db2.gz CNMLYAGCKLZVCZ-LBPRGKRZSA-N 1 2 273.384 2.349 20 30 CEEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000595815337 345884405 /nfs/dbraw/zinc/88/44/05/345884405.db2.gz OFPNTLJRXFGRBW-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000595815337 345884409 /nfs/dbraw/zinc/88/44/09/345884409.db2.gz OFPNTLJRXFGRBW-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C#N)c(C)c1 ZINC000595870565 345902301 /nfs/dbraw/zinc/90/23/01/345902301.db2.gz JVRJAHALYYTZII-UHFFFAOYSA-N 1 2 284.359 2.394 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C#N)c(C)c1 ZINC000595870565 345902302 /nfs/dbraw/zinc/90/23/02/345902302.db2.gz JVRJAHALYYTZII-UHFFFAOYSA-N 1 2 284.359 2.394 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)CC1=CCSC1 ZINC000595888892 345906935 /nfs/dbraw/zinc/90/69/35/345906935.db2.gz PKAKKPKIXCMKNJ-UHFFFAOYSA-N 1 2 251.380 2.120 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)CC1=CCSC1 ZINC000595888892 345906938 /nfs/dbraw/zinc/90/69/38/345906938.db2.gz PKAKKPKIXCMKNJ-UHFFFAOYSA-N 1 2 251.380 2.120 20 30 CEEDLO CCc1nc(C#N)cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000596158354 345955389 /nfs/dbraw/zinc/95/53/89/345955389.db2.gz VXACNKUOOJJTOK-JSGCOSHPSA-N 1 2 296.378 2.195 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CC[C@](C)(C#N)C3)cn2c1 ZINC000596179402 345961218 /nfs/dbraw/zinc/96/12/18/345961218.db2.gz PEDVNIKNTYVMSV-MRXNPFEDSA-N 1 2 297.362 2.088 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596215736 345971689 /nfs/dbraw/zinc/97/16/89/345971689.db2.gz HOGWQTPTYUYVKY-BBRMVZONSA-N 1 2 290.363 2.190 20 30 CEEDLO N#Cc1cnc(NCC2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000596238820 345977331 /nfs/dbraw/zinc/97/73/31/345977331.db2.gz MBCDHXOTYHWAKZ-UHFFFAOYSA-N 1 2 298.312 2.481 20 30 CEEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000596632741 346068716 /nfs/dbraw/zinc/06/87/16/346068716.db2.gz ZELYRUQIFPTWMR-WHWKNOJMSA-N 1 2 297.402 2.394 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)CC#N)c[nH+]1 ZINC000596819209 346093089 /nfs/dbraw/zinc/09/30/89/346093089.db2.gz OZGJISSCSPDENZ-LBPRGKRZSA-N 1 2 274.368 2.094 20 30 CEEDLO CCN(CC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596919003 346106416 /nfs/dbraw/zinc/10/64/16/346106416.db2.gz JDCZVWLYJXZSPM-CQSZACIVSA-N 1 2 282.347 2.304 20 30 CEEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000596598466 346062819 /nfs/dbraw/zinc/06/28/19/346062819.db2.gz HEHHKJXMYBRWSG-GFCCVEGCSA-N 1 2 271.368 2.238 20 30 CEEDLO CC1(C)Cc2n[nH]cc2C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000596598466 346062821 /nfs/dbraw/zinc/06/28/21/346062821.db2.gz HEHHKJXMYBRWSG-GFCCVEGCSA-N 1 2 271.368 2.238 20 30 CEEDLO Cn1cccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597182596 346143138 /nfs/dbraw/zinc/14/31/38/346143138.db2.gz DRFPRXGJHLNOII-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/15/49/87/346154987.db2.gz AUDWBJCJGPOUKY-HNNXBMFYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000597228179 346154988 /nfs/dbraw/zinc/15/49/88/346154988.db2.gz AUDWBJCJGPOUKY-HNNXBMFYSA-N 1 2 260.337 2.439 20 30 CEEDLO N#CC1(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000597539630 346199845 /nfs/dbraw/zinc/19/98/45/346199845.db2.gz XAKNTLJPGQXAMU-ZDUSSCGKSA-N 1 2 286.379 2.178 20 30 CEEDLO C[C@@H](C#N)N(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000598130627 346295491 /nfs/dbraw/zinc/29/54/91/346295491.db2.gz DVMGQJPTTKMMKG-ZDUSSCGKSA-N 1 2 294.358 2.448 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N([C@H](C)C#N)C3CC3)cc2n1C ZINC000598137656 346298726 /nfs/dbraw/zinc/29/87/26/346298726.db2.gz MGSBXUMNVFKLEM-SNVBAGLBSA-N 1 2 282.347 2.398 20 30 CEEDLO CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)C#N ZINC000598348833 346333689 /nfs/dbraw/zinc/33/36/89/346333689.db2.gz CTMWEOIFPRRLRI-CYBMUJFWSA-N 1 2 282.347 2.306 20 30 CEEDLO C[C@@H](C(=O)NCC1(C#N)CCCCC1)[NH+]1CCSCC1 ZINC000598310182 346324096 /nfs/dbraw/zinc/32/40/96/346324096.db2.gz JSUUPEQNKQEJCP-ZDUSSCGKSA-N 1 2 295.452 2.014 20 30 CEEDLO Cn1ccnc1[C@@H]1[N@H+](C[C@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598622132 346386097 /nfs/dbraw/zinc/38/60/97/346386097.db2.gz ZNNWWKHJRXLODP-OLZOCXBDSA-N 1 2 290.411 2.104 20 30 CEEDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598622132 346386099 /nfs/dbraw/zinc/38/60/99/346386099.db2.gz ZNNWWKHJRXLODP-OLZOCXBDSA-N 1 2 290.411 2.104 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1C#N ZINC000599397714 346513729 /nfs/dbraw/zinc/51/37/29/346513729.db2.gz RUIGJOSAQKFZEU-CYBMUJFWSA-N 1 2 298.346 2.335 20 30 CEEDLO Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1C#N ZINC000599397714 346513731 /nfs/dbraw/zinc/51/37/31/346513731.db2.gz RUIGJOSAQKFZEU-CYBMUJFWSA-N 1 2 298.346 2.335 20 30 CEEDLO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000599426619 346517048 /nfs/dbraw/zinc/51/70/48/346517048.db2.gz KHQFJBSSDYDIFE-UHFFFAOYSA-N 1 2 293.333 2.269 20 30 CEEDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000599426619 346517051 /nfs/dbraw/zinc/51/70/51/346517051.db2.gz KHQFJBSSDYDIFE-UHFFFAOYSA-N 1 2 293.333 2.269 20 30 CEEDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000599495143 346528490 /nfs/dbraw/zinc/52/84/90/346528490.db2.gz NJYOPJPBXVRGRY-CQSZACIVSA-N 1 2 264.369 2.486 20 30 CEEDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1CC1(C#N)CC1 ZINC000599495143 346528495 /nfs/dbraw/zinc/52/84/95/346528495.db2.gz NJYOPJPBXVRGRY-CQSZACIVSA-N 1 2 264.369 2.486 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)nc1 ZINC000599649041 346553714 /nfs/dbraw/zinc/55/37/14/346553714.db2.gz WVNCEQCMLJTWBX-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)nc1 ZINC000599649041 346553719 /nfs/dbraw/zinc/55/37/19/346553719.db2.gz WVNCEQCMLJTWBX-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951959 346587356 /nfs/dbraw/zinc/58/73/56/346587356.db2.gz JBARMCKSDZSTJA-LBPRGKRZSA-N 1 2 294.358 2.045 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951959 346587358 /nfs/dbraw/zinc/58/73/58/346587358.db2.gz JBARMCKSDZSTJA-LBPRGKRZSA-N 1 2 294.358 2.045 20 30 CEEDLO C=CCCSCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000600089949 346596143 /nfs/dbraw/zinc/59/61/43/346596143.db2.gz DPFGCGWMIPBISQ-CYBMUJFWSA-N 1 2 293.436 2.179 20 30 CEEDLO Cc1[nH]c(CN2CCC(C#N)(c3ccccn3)CC2)[nH+]c1C ZINC000600157912 346609249 /nfs/dbraw/zinc/60/92/49/346609249.db2.gz CENJHGVWLVVCBP-UHFFFAOYSA-N 1 2 295.390 2.479 20 30 CEEDLO CCC[C@H](C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601027774 346735483 /nfs/dbraw/zinc/73/54/83/346735483.db2.gz ZCUIHQFPQZUOAM-CYBMUJFWSA-N 1 2 268.320 2.499 20 30 CEEDLO CCOC(=O)c1cccc(CNc2cc(CC#N)cc[nH+]2)n1 ZINC000601065946 346743145 /nfs/dbraw/zinc/74/31/45/346743145.db2.gz CZKBKHGFWQVJPO-UHFFFAOYSA-N 1 2 296.330 2.331 20 30 CEEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CCC#N ZINC000602628104 347111403 /nfs/dbraw/zinc/11/14/03/347111403.db2.gz BLVSNGYVVZVWIN-UKRRQHHQSA-N 1 2 274.364 2.300 20 30 CEEDLO COc1cccc2c(N3CCN(CCC#N)CC3)cc[nH+]c12 ZINC000601262087 346804298 /nfs/dbraw/zinc/80/42/98/346804298.db2.gz VHOVGCHHQMGUOC-UHFFFAOYSA-N 1 2 296.374 2.279 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000129550534 365870509 /nfs/dbraw/zinc/87/05/09/365870509.db2.gz CXKNAVQTLSDFPK-GFCCVEGCSA-N 1 2 260.337 2.330 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000129550534 365870512 /nfs/dbraw/zinc/87/05/12/365870512.db2.gz CXKNAVQTLSDFPK-GFCCVEGCSA-N 1 2 260.337 2.330 20 30 CEEDLO COCCN(CCC#N)Cc1c(C)cc(C)[nH+]c1C ZINC000602778724 347194501 /nfs/dbraw/zinc/19/45/01/347194501.db2.gz NQABWFVKNHFLAP-UHFFFAOYSA-N 1 2 261.369 2.369 20 30 CEEDLO C=C(C)C[C@@H](NCc1[nH+]ccn1C(C)C)C(=O)OC ZINC000602738341 347180134 /nfs/dbraw/zinc/18/01/34/347180134.db2.gz IOXMSHUQMCGCEL-GFCCVEGCSA-N 1 2 265.357 2.061 20 30 CEEDLO N#CCC1(C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 ZINC000602844114 347221660 /nfs/dbraw/zinc/22/16/60/347221660.db2.gz AJNUTXYOTBSWDV-HNNXBMFYSA-N 1 2 289.423 2.451 20 30 CEEDLO N#CCC1(C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 ZINC000602844114 347221662 /nfs/dbraw/zinc/22/16/62/347221662.db2.gz AJNUTXYOTBSWDV-HNNXBMFYSA-N 1 2 289.423 2.451 20 30 CEEDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853483 347225303 /nfs/dbraw/zinc/22/53/03/347225303.db2.gz IXCXADDMGWUZNM-MELADBBJSA-N 1 2 295.427 2.025 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000602860706 347227922 /nfs/dbraw/zinc/22/79/22/347227922.db2.gz FMNJRJAZUDDPAL-CYBMUJFWSA-N 1 2 271.364 2.074 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602863582 347229760 /nfs/dbraw/zinc/22/97/60/347229760.db2.gz ONIZICKHVRZWAO-HOGDBLQHSA-N 1 2 289.423 2.352 20 30 CEEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602863755 347230032 /nfs/dbraw/zinc/23/00/32/347230032.db2.gz PNHDDZCKDIKLTN-GHMZBOCLSA-N 1 2 263.316 2.353 20 30 CEEDLO C[C@@H](CC#N)[NH2+]Cc1cncn1Cc1ccccc1 ZINC000602868936 347232057 /nfs/dbraw/zinc/23/20/57/347232057.db2.gz FABSGENHNISVCH-ZDUSSCGKSA-N 1 2 254.337 2.323 20 30 CEEDLO C[C@@H](CC#N)NCc1c[nH+]cn1Cc1ccccc1 ZINC000602868936 347232058 /nfs/dbraw/zinc/23/20/58/347232058.db2.gz FABSGENHNISVCH-ZDUSSCGKSA-N 1 2 254.337 2.323 20 30 CEEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CC1(CC#N)CC1 ZINC000602898627 347241043 /nfs/dbraw/zinc/24/10/43/347241043.db2.gz HRNJOYFJFQRQSK-NXEZZACHSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CC1(CC#N)CC1 ZINC000602898627 347241045 /nfs/dbraw/zinc/24/10/45/347241045.db2.gz HRNJOYFJFQRQSK-NXEZZACHSA-N 1 2 262.275 2.332 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000603127482 347292597 /nfs/dbraw/zinc/29/25/97/347292597.db2.gz GKQNOKXPPTVIIE-NSHDSACASA-N 1 2 296.334 2.088 20 30 CEEDLO C=CCCC[NH2+][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602950484 347254827 /nfs/dbraw/zinc/25/48/27/347254827.db2.gz KIHFUPLYHHJBKO-HNNXBMFYSA-N 1 2 277.364 2.335 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602974960 347261301 /nfs/dbraw/zinc/26/13/01/347261301.db2.gz WGNCHXMYUFUVJH-SWLSCSKDSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602974960 347261303 /nfs/dbraw/zinc/26/13/03/347261303.db2.gz WGNCHXMYUFUVJH-SWLSCSKDSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602978492 347263460 /nfs/dbraw/zinc/26/34/60/347263460.db2.gz RRDNBCRUKCNVLT-QWHCGFSZSA-N 1 2 265.401 2.163 20 30 CEEDLO C[N@@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602978492 347263465 /nfs/dbraw/zinc/26/34/65/347263465.db2.gz RRDNBCRUKCNVLT-QWHCGFSZSA-N 1 2 265.401 2.163 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000603070655 347280853 /nfs/dbraw/zinc/28/08/53/347280853.db2.gz QGNKJKRZJOGDOA-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000603070655 347280854 /nfs/dbraw/zinc/28/08/54/347280854.db2.gz QGNKJKRZJOGDOA-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO COCc1cc(C#N)ccc1N(C)Cc1[nH]cc[nH+]1 ZINC000603299792 347331848 /nfs/dbraw/zinc/33/18/48/347331848.db2.gz VVXMPVJVDVBAGJ-UHFFFAOYSA-N 1 2 256.309 2.064 20 30 CEEDLO Cn1c(CC#N)nnc1SCCc1[nH]c2ccccc2[nH+]1 ZINC000603327093 347338704 /nfs/dbraw/zinc/33/87/04/347338704.db2.gz CGNLMIIJPHAJCY-UHFFFAOYSA-N 1 2 298.375 2.092 20 30 CEEDLO Cn1cc[nH+]c1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC000603202017 347307774 /nfs/dbraw/zinc/30/77/74/347307774.db2.gz AGSHEGMMHJWGSD-UHFFFAOYSA-N 1 2 284.367 2.076 20 30 CEEDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(CCC#N)nn1 ZINC000603252417 347321918 /nfs/dbraw/zinc/32/19/18/347321918.db2.gz AIFAUOYHPACXAO-UHFFFAOYSA-N 1 2 292.346 2.277 20 30 CEEDLO CC(C)(C)c1cc[nH+]c(N2CCN(CCC#N)CC2)c1 ZINC000603419193 347365903 /nfs/dbraw/zinc/36/59/03/347365903.db2.gz QUGDYZIBEINSCA-UHFFFAOYSA-N 1 2 272.396 2.415 20 30 CEEDLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000604525358 347419408 /nfs/dbraw/zinc/41/94/08/347419408.db2.gz SXPSCZGLDJACBY-GFCCVEGCSA-N 1 2 291.317 2.069 20 30 CEEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000604525358 347419411 /nfs/dbraw/zinc/41/94/11/347419411.db2.gz SXPSCZGLDJACBY-GFCCVEGCSA-N 1 2 291.317 2.069 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606448634 347474750 /nfs/dbraw/zinc/47/47/50/347474750.db2.gz CTVBEMFICPQBIC-NSHDSACASA-N 1 2 262.328 2.047 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606448634 347474755 /nfs/dbraw/zinc/47/47/55/347474755.db2.gz CTVBEMFICPQBIC-NSHDSACASA-N 1 2 262.328 2.047 20 30 CEEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)CC(C)C)[nH+]c12 ZINC000608854185 347622546 /nfs/dbraw/zinc/62/25/46/347622546.db2.gz MLIRNBCYEWLBRE-CYBMUJFWSA-N 1 2 284.363 2.240 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000609486796 347640571 /nfs/dbraw/zinc/64/05/71/347640571.db2.gz RUVJTVDVYOCXJN-KRWDZBQOSA-N 1 2 282.391 2.224 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000609538084 347642714 /nfs/dbraw/zinc/64/27/14/347642714.db2.gz HMYAJDGLMAOCQC-INIZCTEOSA-N 1 2 275.371 2.491 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000609826721 347651745 /nfs/dbraw/zinc/65/17/45/347651745.db2.gz UWPRRQIUJUQNSX-QAPCUYQASA-N 1 2 299.418 2.416 20 30 CEEDLO COCCN(CCC#N)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000610392138 347678084 /nfs/dbraw/zinc/67/80/84/347678084.db2.gz MEPIHARTWDQWDS-UHFFFAOYSA-N 1 2 292.770 2.350 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)ccn1 ZINC000610993809 347729061 /nfs/dbraw/zinc/72/90/61/347729061.db2.gz JKBOJNCAZFNEIG-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCOC3(CCCCC3)C2)ccn1 ZINC000610993809 347729066 /nfs/dbraw/zinc/72/90/66/347729066.db2.gz JKBOJNCAZFNEIG-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000611012960 347732797 /nfs/dbraw/zinc/73/27/97/347732797.db2.gz PYHKQCJREBCMBA-SWLSCSKDSA-N 1 2 294.358 2.195 20 30 CEEDLO CN1Cc2ccccc2[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000611131595 347742348 /nfs/dbraw/zinc/74/23/48/347742348.db2.gz RDYQKBLBLVVCDW-CZUORRHYSA-N 1 2 268.364 2.206 20 30 CEEDLO CN1Cc2ccccc2[C@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000611131596 347742571 /nfs/dbraw/zinc/74/25/71/347742571.db2.gz RDYQKBLBLVVCDW-XJKSGUPXSA-N 1 2 268.364 2.206 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578433 347796797 /nfs/dbraw/zinc/79/67/97/347796797.db2.gz DMGYFVQFXAPGPJ-QWRGUYRKSA-N 1 2 257.284 2.134 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578433 347796799 /nfs/dbraw/zinc/79/67/99/347796799.db2.gz DMGYFVQFXAPGPJ-QWRGUYRKSA-N 1 2 257.284 2.134 20 30 CEEDLO Cc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)c(C)c[nH+]1 ZINC000612321251 347869329 /nfs/dbraw/zinc/86/93/29/347869329.db2.gz SUTCWMVFJWFMFO-HNNXBMFYSA-N 1 2 272.352 2.278 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000612345175 347872220 /nfs/dbraw/zinc/87/22/20/347872220.db2.gz CPFCMTGGBMIRMT-UHFFFAOYSA-N 1 2 280.331 2.466 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncns2)CC1 ZINC000612458843 347889637 /nfs/dbraw/zinc/88/96/37/347889637.db2.gz RQCHERUDMIRAGV-GFCCVEGCSA-N 1 2 299.403 2.293 20 30 CEEDLO CCC#C[C@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000613586205 348074911 /nfs/dbraw/zinc/07/49/11/348074911.db2.gz POQKTCRDMANQHZ-GUYCJALGSA-N 1 2 255.427 2.411 20 30 CEEDLO CCC#C[C@H](C)[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000613586205 348074914 /nfs/dbraw/zinc/07/49/14/348074914.db2.gz POQKTCRDMANQHZ-GUYCJALGSA-N 1 2 255.427 2.411 20 30 CEEDLO COc1cc(C#N)ccc1NC(=O)CCCn1cc[nH+]c1 ZINC000613372467 348035052 /nfs/dbraw/zinc/03/50/52/348035052.db2.gz VATNETXYGTZODD-UHFFFAOYSA-N 1 2 284.319 2.182 20 30 CEEDLO CC[C@H](CC#N)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000613855211 348114781 /nfs/dbraw/zinc/11/47/81/348114781.db2.gz UHMYVIUBVADFKO-SNVBAGLBSA-N 1 2 257.297 2.148 20 30 CEEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614595575 348220200 /nfs/dbraw/zinc/22/02/00/348220200.db2.gz ZTDPBUVNVSMDSD-CYBMUJFWSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614595575 348220203 /nfs/dbraw/zinc/22/02/03/348220203.db2.gz ZTDPBUVNVSMDSD-CYBMUJFWSA-N 1 2 285.391 2.150 20 30 CEEDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1C ZINC000614407351 348195320 /nfs/dbraw/zinc/19/53/20/348195320.db2.gz NJSMLNMMAGMIMN-UHFFFAOYSA-N 1 2 269.352 2.017 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1C ZINC000614407351 348195323 /nfs/dbraw/zinc/19/53/23/348195323.db2.gz NJSMLNMMAGMIMN-UHFFFAOYSA-N 1 2 269.352 2.017 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000614923881 348254845 /nfs/dbraw/zinc/25/48/45/348254845.db2.gz GENBZWJDLCAPRZ-VXGBXAGGSA-N 1 2 289.301 2.473 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000614923881 348254849 /nfs/dbraw/zinc/25/48/49/348254849.db2.gz GENBZWJDLCAPRZ-VXGBXAGGSA-N 1 2 289.301 2.473 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)cc1 ZINC000615683324 348373128 /nfs/dbraw/zinc/37/31/28/348373128.db2.gz CBXRVBSCKALYKK-SWLSCSKDSA-N 1 2 294.358 2.195 20 30 CEEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000615642983 348365494 /nfs/dbraw/zinc/36/54/94/348365494.db2.gz KRPXFPKKVFIXGA-INIZCTEOSA-N 1 2 295.402 2.209 20 30 CEEDLO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000615642983 348365496 /nfs/dbraw/zinc/36/54/96/348365496.db2.gz KRPXFPKKVFIXGA-INIZCTEOSA-N 1 2 295.402 2.209 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csnn1 ZINC000618831324 349047635 /nfs/dbraw/zinc/04/76/35/349047635.db2.gz JZLUDMHPRXYWPU-ZDUSSCGKSA-N 1 2 256.334 2.187 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC2CCCC2)CC1 ZINC000619717099 349227482 /nfs/dbraw/zinc/22/74/82/349227482.db2.gz UMFWIEBGYVEPAF-AWEZNQCLSA-N 1 2 267.369 2.138 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000619719884 349228241 /nfs/dbraw/zinc/22/82/41/349228241.db2.gz KITTWLVWTKFVNY-INIZCTEOSA-N 1 2 287.359 2.017 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000619719884 349228242 /nfs/dbraw/zinc/22/82/42/349228242.db2.gz KITTWLVWTKFVNY-INIZCTEOSA-N 1 2 287.359 2.017 20 30 CEEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000619622760 349206407 /nfs/dbraw/zinc/20/64/07/349206407.db2.gz FIRZHSGATIVFRX-INIZCTEOSA-N 1 2 281.363 2.414 20 30 CEEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000619622760 349206410 /nfs/dbraw/zinc/20/64/10/349206410.db2.gz FIRZHSGATIVFRX-INIZCTEOSA-N 1 2 281.363 2.414 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271335691 191081243 /nfs/dbraw/zinc/08/12/43/191081243.db2.gz AKEUWHFPAXWVHF-CYBMUJFWSA-N 1 2 259.353 2.309 20 30 CEEDLO CC(C)Oc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1C#N ZINC000092092919 180323031 /nfs/dbraw/zinc/32/30/31/180323031.db2.gz CQJQEWYFOUYNJG-UHFFFAOYSA-N 1 2 299.334 2.390 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361266 180368072 /nfs/dbraw/zinc/36/80/72/180368072.db2.gz IBIVTOCYNHCYHC-AWEZNQCLSA-N 1 2 297.395 2.309 20 30 CEEDLO C=CC[N@H+](Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361266 180368074 /nfs/dbraw/zinc/36/80/74/180368074.db2.gz IBIVTOCYNHCYHC-AWEZNQCLSA-N 1 2 297.395 2.309 20 30 CEEDLO C=CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625499149 350515170 /nfs/dbraw/zinc/51/51/70/350515170.db2.gz GCCNTYGRFYLIFV-OAHLLOKOSA-N 1 2 271.368 2.057 20 30 CEEDLO C=CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625499149 350515172 /nfs/dbraw/zinc/51/51/72/350515172.db2.gz GCCNTYGRFYLIFV-OAHLLOKOSA-N 1 2 271.368 2.057 20 30 CEEDLO C=CCOc1cccc(C[N@@H+](C)CCS(=O)(=O)CC)c1 ZINC000130607898 365974228 /nfs/dbraw/zinc/97/42/28/365974228.db2.gz PEKSWBAYRQJQJV-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO C=CCOc1cccc(C[N@H+](C)CCS(=O)(=O)CC)c1 ZINC000130607898 365974234 /nfs/dbraw/zinc/97/42/34/365974234.db2.gz PEKSWBAYRQJQJV-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000573860406 334972554 /nfs/dbraw/zinc/97/25/54/334972554.db2.gz ICRHGEFSWBHOCW-NSHDSACASA-N 1 2 290.323 2.124 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000681485586 539804461 /nfs/dbraw/zinc/80/44/61/539804461.db2.gz TUDDGMBKCJPOAY-MLGOLLRUSA-N 1 2 284.359 2.299 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000681485586 539804463 /nfs/dbraw/zinc/80/44/63/539804463.db2.gz TUDDGMBKCJPOAY-MLGOLLRUSA-N 1 2 284.359 2.299 20 30 CEEDLO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000627734616 350914259 /nfs/dbraw/zinc/91/42/59/350914259.db2.gz YBDFVQVKSYAIHX-ZDUSSCGKSA-N 1 2 287.363 2.062 20 30 CEEDLO C=CC(C)(C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000628312218 351057689 /nfs/dbraw/zinc/05/76/89/351057689.db2.gz TTYMPJOSNXKTGZ-LBPRGKRZSA-N 1 2 261.369 2.164 20 30 CEEDLO C=CCN(C(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000271447954 191142857 /nfs/dbraw/zinc/14/28/57/191142857.db2.gz NNNFYVQSPGIZES-UHFFFAOYSA-N 1 2 274.368 2.244 20 30 CEEDLO C=C1CC(C)(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000630631390 351814148 /nfs/dbraw/zinc/81/41/48/351814148.db2.gz UIBNEFUNLILKSL-UHFFFAOYSA-N 1 2 269.348 2.349 20 30 CEEDLO CCC1(C)C[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000291762456 198084534 /nfs/dbraw/zinc/08/45/34/198084534.db2.gz DGIOUOIDTZSKKD-UHFFFAOYSA-N 1 2 292.404 2.064 20 30 CEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000630909809 351886265 /nfs/dbraw/zinc/88/62/65/351886265.db2.gz BXTMBTPWECQTIY-LBPRGKRZSA-N 1 2 259.353 2.472 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N[C@](C)(C#N)C(C)C ZINC000072690948 363157937 /nfs/dbraw/zinc/15/79/37/363157937.db2.gz HNHISUZJPBBSEN-MRXNPFEDSA-N 1 2 292.427 2.303 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N[C@](C)(C#N)C(C)C ZINC000072690948 363157941 /nfs/dbraw/zinc/15/79/41/363157941.db2.gz HNHISUZJPBBSEN-MRXNPFEDSA-N 1 2 292.427 2.303 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)c(O)co1 ZINC000072692828 363158032 /nfs/dbraw/zinc/15/80/32/363158032.db2.gz XHQVPHFWCRUALU-UHFFFAOYSA-N 1 2 278.352 2.497 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)c(O)co1 ZINC000072692828 363158035 /nfs/dbraw/zinc/15/80/35/363158035.db2.gz XHQVPHFWCRUALU-UHFFFAOYSA-N 1 2 278.352 2.497 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C1CC1 ZINC000271495135 191173118 /nfs/dbraw/zinc/17/31/18/191173118.db2.gz VEVSCHMEJPUROO-UHFFFAOYSA-N 1 2 265.744 2.324 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)C1CC1 ZINC000271495135 191173121 /nfs/dbraw/zinc/17/31/21/191173121.db2.gz VEVSCHMEJPUROO-UHFFFAOYSA-N 1 2 265.744 2.324 20 30 CEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)c(F)c1 ZINC000337220683 366084935 /nfs/dbraw/zinc/08/49/35/366084935.db2.gz BZYXTQQALGFLIT-LLVKDONJSA-N 1 2 278.327 2.471 20 30 CEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(F)c1 ZINC000337220683 366084939 /nfs/dbraw/zinc/08/49/39/366084939.db2.gz BZYXTQQALGFLIT-LLVKDONJSA-N 1 2 278.327 2.471 20 30 CEEDLO C=CCN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000155343931 188200518 /nfs/dbraw/zinc/20/05/18/188200518.db2.gz XWSNBVYGYGWZOG-ZDUSSCGKSA-N 1 2 297.349 2.395 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156527140 188267352 /nfs/dbraw/zinc/26/73/52/188267352.db2.gz UJTVFPKBTONWCQ-CHWSQXEVSA-N 1 2 290.363 2.055 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156527140 188267353 /nfs/dbraw/zinc/26/73/53/188267353.db2.gz UJTVFPKBTONWCQ-CHWSQXEVSA-N 1 2 290.363 2.055 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000336429416 213289960 /nfs/dbraw/zinc/28/99/60/213289960.db2.gz SSEUXEWCCKMEDM-UHFFFAOYSA-N 1 2 287.269 2.468 20 30 CEEDLO CC#CCCCC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000337280260 366123807 /nfs/dbraw/zinc/12/38/07/366123807.db2.gz IMZRWLXQTMSIAO-UHFFFAOYSA-N 1 2 285.391 2.232 20 30 CEEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000133135011 366198326 /nfs/dbraw/zinc/19/83/26/366198326.db2.gz IBMBLCKNVKLACI-HIFRSBDPSA-N 1 2 286.379 2.034 20 30 CEEDLO N#Cc1cnn(Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000337938621 366186176 /nfs/dbraw/zinc/18/61/76/366186176.db2.gz WOUZGWJKQVZNKB-UHFFFAOYSA-N 1 2 263.304 2.048 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(CC)nn1 ZINC000404468690 540123291 /nfs/dbraw/zinc/12/32/91/540123291.db2.gz OLPUWGOGDIPLQY-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO COC(=O)C[N@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000133662561 366245086 /nfs/dbraw/zinc/24/50/86/366245086.db2.gz CWKTUAQSFAXMOY-UHFFFAOYSA-N 1 2 271.360 2.456 20 30 CEEDLO COC(=O)C[N@@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000133662561 366245091 /nfs/dbraw/zinc/24/50/91/366245091.db2.gz CWKTUAQSFAXMOY-UHFFFAOYSA-N 1 2 271.360 2.456 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN3CCC=C(F)C3)n2c1 ZINC000336343347 213192283 /nfs/dbraw/zinc/19/22/83/213192283.db2.gz YGNONCSSZZJDNT-UHFFFAOYSA-N 1 2 256.284 2.265 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000336342851 213190052 /nfs/dbraw/zinc/19/00/52/213190052.db2.gz UGMADKPRBUVRCZ-CYBMUJFWSA-N 1 2 266.304 2.259 20 30 CEEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC(n2cc[nH+]c2)C1 ZINC000079102845 363579529 /nfs/dbraw/zinc/57/95/29/363579529.db2.gz PZZUEOVNPSPYBY-UHFFFAOYSA-N 1 2 293.252 2.230 20 30 CEEDLO CN(Cc1ccc(N)[nH+]c1)c1cccc(F)c1C#N ZINC000135986407 366487318 /nfs/dbraw/zinc/48/73/18/366487318.db2.gz JZDRIVHEKYNZQU-UHFFFAOYSA-N 1 2 256.284 2.311 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3cnccc3C#N)ccc2n1C ZINC000578574294 366513996 /nfs/dbraw/zinc/51/39/96/366513996.db2.gz DCTJWKHIXBTMFS-UHFFFAOYSA-N 1 2 291.314 2.401 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578667521 366532433 /nfs/dbraw/zinc/53/24/33/366532433.db2.gz UJCLBCCURHPHBP-CYBMUJFWSA-N 1 2 261.369 2.308 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1c(C(F)(F)F)cnn1C ZINC000668054914 540560830 /nfs/dbraw/zinc/56/08/30/540560830.db2.gz LABBMKTVOJAVTE-UHFFFAOYSA-N 1 2 277.290 2.073 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1c(C(F)(F)F)cnn1C ZINC000668054914 540560831 /nfs/dbraw/zinc/56/08/31/540560831.db2.gz LABBMKTVOJAVTE-UHFFFAOYSA-N 1 2 277.290 2.073 20 30 CEEDLO CCn1cncc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000417711667 237241452 /nfs/dbraw/zinc/24/14/52/237241452.db2.gz YQROHLDHCRMJKA-UHFFFAOYSA-N 1 2 295.390 2.097 20 30 CEEDLO CCn1c[nH+]cc1CN1CCN(c2ccccc2C#N)CC1 ZINC000417711667 237241461 /nfs/dbraw/zinc/24/14/61/237241461.db2.gz YQROHLDHCRMJKA-UHFFFAOYSA-N 1 2 295.390 2.097 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)s1)C1CC1 ZINC000341693999 216069857 /nfs/dbraw/zinc/06/98/57/216069857.db2.gz SQLMHCOTZYGUDC-GFCCVEGCSA-N 1 2 286.360 2.234 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341713131 216078101 /nfs/dbraw/zinc/07/81/01/216078101.db2.gz OOCQUULJQVRFQC-CYBMUJFWSA-N 1 2 284.319 2.074 20 30 CEEDLO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]CCC#N)C1=O ZINC000578880465 366560742 /nfs/dbraw/zinc/56/07/42/366560742.db2.gz GYIMTHUWYMLXJC-IUODEOHRSA-N 1 2 289.354 2.381 20 30 CEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCCCC2)C1=O ZINC000176979866 189018093 /nfs/dbraw/zinc/01/80/93/189018093.db2.gz HVOIHTPVPNHYEK-GFCCVEGCSA-N 1 2 275.377 2.211 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)OCC ZINC000677305265 541001918 /nfs/dbraw/zinc/00/19/18/541001918.db2.gz SIIWEFYDJRTSBW-HUUCEWRRSA-N 1 2 291.395 2.418 20 30 CEEDLO COc1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1O ZINC000152993877 366724151 /nfs/dbraw/zinc/72/41/51/366724151.db2.gz QXPXFFWLWUXUGM-ZDUSSCGKSA-N 1 2 273.336 2.276 20 30 CEEDLO COc1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1O ZINC000152993877 366724157 /nfs/dbraw/zinc/72/41/57/366724157.db2.gz QXPXFFWLWUXUGM-ZDUSSCGKSA-N 1 2 273.336 2.276 20 30 CEEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000301576200 201077445 /nfs/dbraw/zinc/07/74/45/201077445.db2.gz MFIOFBPLRGDAPH-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000154238312 366763829 /nfs/dbraw/zinc/76/38/29/366763829.db2.gz RRUKOVSNYWYULY-UHFFFAOYSA-N 1 2 259.324 2.432 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154238312 366763832 /nfs/dbraw/zinc/76/38/32/366763832.db2.gz RRUKOVSNYWYULY-UHFFFAOYSA-N 1 2 259.324 2.432 20 30 CEEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000301877695 201246280 /nfs/dbraw/zinc/24/62/80/201246280.db2.gz NWLVOUITKLLVKI-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO C[N@H+](Cc1ccco1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746527 361676800 /nfs/dbraw/zinc/67/68/00/361676800.db2.gz LFXQTHSXPFFLDF-MRXNPFEDSA-N 1 2 295.342 2.389 20 30 CEEDLO C[N@@H+](Cc1ccco1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746527 361676803 /nfs/dbraw/zinc/67/68/03/361676803.db2.gz LFXQTHSXPFFLDF-MRXNPFEDSA-N 1 2 295.342 2.389 20 30 CEEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc(C#N)nn1 ZINC000302007212 201295694 /nfs/dbraw/zinc/29/56/94/201295694.db2.gz UOTYTNXDKPRTRX-UHFFFAOYSA-N 1 2 292.346 2.280 20 30 CEEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000092936328 364119187 /nfs/dbraw/zinc/11/91/87/364119187.db2.gz WXPKIDKMEXTCHC-JSGCOSHPSA-N 1 2 259.353 2.044 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cc(OC)c(OC)cc1SC ZINC000093461358 364185059 /nfs/dbraw/zinc/18/50/59/364185059.db2.gz JAJLJYAHMIGICB-UHFFFAOYSA-N 1 2 289.400 2.494 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000335100689 364477138 /nfs/dbraw/zinc/47/71/38/364477138.db2.gz SPXGYJBVCXFVGP-ZDUSSCGKSA-N 1 2 280.331 2.264 20 30 CEEDLO CC(C)N(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157243280 366842197 /nfs/dbraw/zinc/84/21/97/366842197.db2.gz LYZCXGKQYAQAEU-UHFFFAOYSA-N 1 2 253.390 2.115 20 30 CEEDLO CC(C)N(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157243280 366842200 /nfs/dbraw/zinc/84/22/00/366842200.db2.gz LYZCXGKQYAQAEU-UHFFFAOYSA-N 1 2 253.390 2.115 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103142043 364632709 /nfs/dbraw/zinc/63/27/09/364632709.db2.gz ZSOSTSRJEWHERA-HNNXBMFYSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103142043 364632712 /nfs/dbraw/zinc/63/27/12/364632712.db2.gz ZSOSTSRJEWHERA-HNNXBMFYSA-N 1 2 289.354 2.188 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000111375949 364732531 /nfs/dbraw/zinc/73/25/31/364732531.db2.gz NYJIQFBMVJBUGY-NXEZZACHSA-N 1 2 267.398 2.047 20 30 CEEDLO N#Cc1ccnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1Cl ZINC000342776289 216525832 /nfs/dbraw/zinc/52/58/32/216525832.db2.gz ISWBCZNTHYOKHE-GFCCVEGCSA-N 1 2 299.765 2.114 20 30 CEEDLO Cc1noc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000112559894 364816779 /nfs/dbraw/zinc/81/67/79/364816779.db2.gz HGZFPINRTQGODQ-GFCCVEGCSA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1cc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)ccc1C#N ZINC000335732592 364902174 /nfs/dbraw/zinc/90/21/74/364902174.db2.gz INWUNXAKWBBGNQ-ORAYPTAESA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)ccc1C#N ZINC000335732592 364902175 /nfs/dbraw/zinc/90/21/75/364902175.db2.gz INWUNXAKWBBGNQ-ORAYPTAESA-N 1 2 276.405 2.210 20 30 CEEDLO N#Cc1cc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000336004761 365278698 /nfs/dbraw/zinc/27/86/98/365278698.db2.gz XMLIKVKDMMZAAR-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO N#Cc1cc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000336004761 365278701 /nfs/dbraw/zinc/27/87/01/365278701.db2.gz XMLIKVKDMMZAAR-NSHDSACASA-N 1 2 299.309 2.099 20 30 CEEDLO C=CC[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000275758996 193121655 /nfs/dbraw/zinc/12/16/55/193121655.db2.gz UJRZSAXQFASAKW-FZMZJTMJSA-N 1 2 265.328 2.464 20 30 CEEDLO CC#CC[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000160049528 366968691 /nfs/dbraw/zinc/96/86/91/366968691.db2.gz ZSLMTSJXBQGQGO-LLVKDONJSA-N 1 2 271.320 2.419 20 30 CEEDLO CCCCNc1cc(NCC(C)(C)CCC#N)nc(N)[nH+]1 ZINC000340929824 367094389 /nfs/dbraw/zinc/09/43/89/367094389.db2.gz ISNCGENPYVGIOK-UHFFFAOYSA-N 1 2 290.415 2.265 20 30 CEEDLO CCCCNc1cc(NCC(C)(C)CCC#N)[nH+]c(N)n1 ZINC000340929824 367094392 /nfs/dbraw/zinc/09/43/92/367094392.db2.gz ISNCGENPYVGIOK-UHFFFAOYSA-N 1 2 290.415 2.265 20 30 CEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](CO)O1 ZINC000162939507 367206025 /nfs/dbraw/zinc/20/60/25/367206025.db2.gz UPEYJQZTSNRHIG-ZDUSSCGKSA-N 1 2 294.782 2.183 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](CO)O1 ZINC000162939507 367206028 /nfs/dbraw/zinc/20/60/28/367206028.db2.gz UPEYJQZTSNRHIG-ZDUSSCGKSA-N 1 2 294.782 2.183 20 30 CEEDLO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602865524 367216855 /nfs/dbraw/zinc/21/68/55/367216855.db2.gz YOXQIJCBMHCJHT-VIFPVBQESA-N 1 2 281.743 2.179 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000341526255 367367111 /nfs/dbraw/zinc/36/71/11/367367111.db2.gz PWNQLHWIMOGFCX-QWHCGFSZSA-N 1 2 276.384 2.274 20 30 CEEDLO N#Cc1nccnc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000171026349 367464152 /nfs/dbraw/zinc/46/41/52/367464152.db2.gz SQLIBSZDNCPUMF-UHFFFAOYSA-N 1 2 295.346 2.053 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H](C)[C@@H](C)O1 ZINC000342799194 367543474 /nfs/dbraw/zinc/54/34/74/367543474.db2.gz IMNJVRUCOFUGIT-JHJVBQTASA-N 1 2 284.363 2.204 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H](C)[C@@H](C)O1 ZINC000342799194 367543478 /nfs/dbraw/zinc/54/34/78/367543478.db2.gz IMNJVRUCOFUGIT-JHJVBQTASA-N 1 2 284.363 2.204 20 30 CEEDLO C=CC[NH+]1CCC(/N=C/c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000171647816 367583560 /nfs/dbraw/zinc/58/35/60/367583560.db2.gz IDWUOPBURCNVJD-LFIBNONCSA-N 1 2 289.335 2.370 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2cn3ccccc3n2)o1 ZINC000343053094 367647965 /nfs/dbraw/zinc/64/79/65/367647965.db2.gz LHNDMDFTSJJUCT-UHFFFAOYSA-N 1 2 252.277 2.089 20 30 CEEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000172420726 367740470 /nfs/dbraw/zinc/74/04/70/367740470.db2.gz ZTPIYZLAJHLDHB-HNNXBMFYSA-N 1 2 272.348 2.474 20 30 CEEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000172420726 367740475 /nfs/dbraw/zinc/74/04/75/367740475.db2.gz ZTPIYZLAJHLDHB-HNNXBMFYSA-N 1 2 272.348 2.474 20 30 CEEDLO CC1(C)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000173816028 367947353 /nfs/dbraw/zinc/94/73/53/367947353.db2.gz WKPZHKAGIIEQGH-UHFFFAOYSA-N 1 2 263.366 2.290 20 30 CEEDLO CC1(C)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000173816028 367947355 /nfs/dbraw/zinc/94/73/55/367947355.db2.gz WKPZHKAGIIEQGH-UHFFFAOYSA-N 1 2 263.366 2.290 20 30 CEEDLO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344058562 368104211 /nfs/dbraw/zinc/10/42/11/368104211.db2.gz KZILQQWODVGSOE-NWDGAFQWSA-N 1 2 264.373 2.435 20 30 CEEDLO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344058562 368104217 /nfs/dbraw/zinc/10/42/17/368104217.db2.gz KZILQQWODVGSOE-NWDGAFQWSA-N 1 2 264.373 2.435 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000682220691 541646606 /nfs/dbraw/zinc/64/66/06/541646606.db2.gz DWIUNBJSHBAIOS-IAGOWNOFSA-N 1 2 298.386 2.437 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000682220691 541646610 /nfs/dbraw/zinc/64/66/10/541646610.db2.gz DWIUNBJSHBAIOS-IAGOWNOFSA-N 1 2 298.386 2.437 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000185056271 368740585 /nfs/dbraw/zinc/74/05/85/368740585.db2.gz RCZNILUCKMVWPF-ZDUSSCGKSA-N 1 2 284.363 2.486 20 30 CEEDLO Cc1cc(NCCSCc2ccccc2C#N)nc[nH+]1 ZINC000346611534 368734829 /nfs/dbraw/zinc/73/48/29/368734829.db2.gz NAXFSPNUNIFJOW-UHFFFAOYSA-N 1 2 284.388 2.424 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000330619718 203046731 /nfs/dbraw/zinc/04/67/31/203046731.db2.gz ZODBKRVFSNXQMT-OAHLLOKOSA-N 1 2 271.364 2.049 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000330619718 203046733 /nfs/dbraw/zinc/04/67/33/203046733.db2.gz ZODBKRVFSNXQMT-OAHLLOKOSA-N 1 2 271.364 2.049 20 30 CEEDLO C=CCOCCC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000348059125 368879439 /nfs/dbraw/zinc/87/94/39/368879439.db2.gz VUTSJHYRFMUFAW-MRXNPFEDSA-N 1 2 289.375 2.352 20 30 CEEDLO C=CCOCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000348059125 368879446 /nfs/dbraw/zinc/87/94/46/368879446.db2.gz VUTSJHYRFMUFAW-MRXNPFEDSA-N 1 2 289.375 2.352 20 30 CEEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000348437993 369046537 /nfs/dbraw/zinc/04/65/37/369046537.db2.gz DTVZGPRTERVFCK-CYBMUJFWSA-N 1 2 295.383 2.159 20 30 CEEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000348437993 369046542 /nfs/dbraw/zinc/04/65/42/369046542.db2.gz DTVZGPRTERVFCK-CYBMUJFWSA-N 1 2 295.383 2.159 20 30 CEEDLO C=C(C)CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635986979 369443273 /nfs/dbraw/zinc/44/32/73/369443273.db2.gz IGNBYUFLFRBPOL-JTQLQIEISA-N 1 2 275.274 2.459 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000189188062 369472963 /nfs/dbraw/zinc/47/29/63/369472963.db2.gz OYRPJDCGOUJDCW-INIZCTEOSA-N 1 2 293.432 2.424 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000189188062 369472967 /nfs/dbraw/zinc/47/29/67/369472967.db2.gz OYRPJDCGOUJDCW-INIZCTEOSA-N 1 2 293.432 2.424 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)oc(=O)n2C)C1CC1 ZINC000351730680 369651826 /nfs/dbraw/zinc/65/18/26/369651826.db2.gz QJSQBQUVLZDZEC-NSHDSACASA-N 1 2 285.347 2.256 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)C1CC1 ZINC000351730680 369651829 /nfs/dbraw/zinc/65/18/29/369651829.db2.gz QJSQBQUVLZDZEC-NSHDSACASA-N 1 2 285.347 2.256 20 30 CEEDLO CC(C)CN(C(=O)C[NH+]1CCC(F)(C#N)CC1)C(C)C ZINC000352468796 369744617 /nfs/dbraw/zinc/74/46/17/369744617.db2.gz UVMGCSSVLGVLAH-UHFFFAOYSA-N 1 2 283.391 2.207 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000192239518 369784081 /nfs/dbraw/zinc/78/40/81/369784081.db2.gz ICAWZFNVZXRLAI-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000192239518 369784083 /nfs/dbraw/zinc/78/40/83/369784083.db2.gz ICAWZFNVZXRLAI-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cnn2ccccc12)C1CC1 ZINC000354025396 370185700 /nfs/dbraw/zinc/18/57/00/370185700.db2.gz CWXXLWATSKGHKH-GFCCVEGCSA-N 1 2 254.337 2.458 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cnn2ccccc12)C1CC1 ZINC000354025396 370185702 /nfs/dbraw/zinc/18/57/02/370185702.db2.gz CWXXLWATSKGHKH-GFCCVEGCSA-N 1 2 254.337 2.458 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000354017060 370180039 /nfs/dbraw/zinc/18/00/39/370180039.db2.gz GOHFIZZYBOKRCV-UHFFFAOYSA-N 1 2 250.298 2.048 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000354017060 370180041 /nfs/dbraw/zinc/18/00/41/370180041.db2.gz GOHFIZZYBOKRCV-UHFFFAOYSA-N 1 2 250.298 2.048 20 30 CEEDLO COc1cccc(C(F)(F)C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000353972112 370158920 /nfs/dbraw/zinc/15/89/20/370158920.db2.gz MRACHHSRBTVPBB-QWRGUYRKSA-N 1 2 281.306 2.464 20 30 CEEDLO Cc1nn2c(C[N@@H+](C)CC(C)(C)C#N)c(C)nc2s1 ZINC000354034728 370190039 /nfs/dbraw/zinc/19/00/39/370190039.db2.gz BNCBZQOTRJHHBO-UHFFFAOYSA-N 1 2 277.397 2.389 20 30 CEEDLO Cc1nn2c(C[N@H+](C)CC(C)(C)C#N)c(C)nc2s1 ZINC000354034728 370190045 /nfs/dbraw/zinc/19/00/45/370190045.db2.gz BNCBZQOTRJHHBO-UHFFFAOYSA-N 1 2 277.397 2.389 20 30 CEEDLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000227238095 370364710 /nfs/dbraw/zinc/36/47/10/370364710.db2.gz PZCKWPGEEUNNLS-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000227238095 370364712 /nfs/dbraw/zinc/36/47/12/370364712.db2.gz PZCKWPGEEUNNLS-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ccc1F ZINC000229750344 370431463 /nfs/dbraw/zinc/43/14/63/370431463.db2.gz JZQFNNBNUFMZEG-GJZGRUSLSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccc1F ZINC000229750344 370431469 /nfs/dbraw/zinc/43/14/69/370431469.db2.gz JZQFNNBNUFMZEG-GJZGRUSLSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000247090870 371062916 /nfs/dbraw/zinc/06/29/16/371062916.db2.gz JLYLDRXUSJQORN-HZPDHXFCSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000247090870 371062920 /nfs/dbraw/zinc/06/29/20/371062920.db2.gz JLYLDRXUSJQORN-HZPDHXFCSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N ZINC000247624071 371130305 /nfs/dbraw/zinc/13/03/05/371130305.db2.gz NKDPYWBFTMQDPE-GDBMZVCRSA-N 1 2 288.391 2.389 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)CC#N ZINC000247624071 371130307 /nfs/dbraw/zinc/13/03/07/371130307.db2.gz NKDPYWBFTMQDPE-GDBMZVCRSA-N 1 2 288.391 2.389 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCC(C)C ZINC000249924960 371370339 /nfs/dbraw/zinc/37/03/39/371370339.db2.gz BSYWWJLOVMXFGD-QWHCGFSZSA-N 1 2 253.390 2.019 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCC(C)C ZINC000249924960 371370344 /nfs/dbraw/zinc/37/03/44/371370344.db2.gz BSYWWJLOVMXFGD-QWHCGFSZSA-N 1 2 253.390 2.019 20 30 CEEDLO COc1ccc(C[NH+]2CC(n3cc(C)cn3)C2)cc1C#N ZINC000361254928 371743823 /nfs/dbraw/zinc/74/38/23/371743823.db2.gz FTVAZRREAXKYFI-UHFFFAOYSA-N 1 2 282.347 2.129 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCSCC(=O)OC)c1O ZINC000264314080 371991619 /nfs/dbraw/zinc/99/16/19/371991619.db2.gz LUVHGSFCYMIQMR-OQLLNIDSSA-N 1 2 297.376 2.116 20 30 CEEDLO N#CC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000263937297 371953065 /nfs/dbraw/zinc/95/30/65/371953065.db2.gz GTRUFIRDPKAXLX-LBPRGKRZSA-N 1 2 272.352 2.200 20 30 CEEDLO C=CCOCCn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000641029222 372242725 /nfs/dbraw/zinc/24/27/25/372242725.db2.gz CBUROGOCNINKQD-UHFFFAOYSA-N 1 2 297.362 2.187 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)c(Cl)c2)nn1 ZINC000640944381 372188933 /nfs/dbraw/zinc/18/89/33/372188933.db2.gz NBRUIEJUKNUXDE-UHFFFAOYSA-N 1 2 292.745 2.232 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)c(C)c2)nn1 ZINC000640946048 372190170 /nfs/dbraw/zinc/19/01/70/372190170.db2.gz LVJQXBRRPNFSRE-UHFFFAOYSA-N 1 2 268.364 2.056 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2cccc(OC)c2)nn1 ZINC000641075915 372284150 /nfs/dbraw/zinc/28/41/50/372284150.db2.gz ZKMJYDCLTZTNMG-ZDUSSCGKSA-N 1 2 284.363 2.009 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000641088679 372304311 /nfs/dbraw/zinc/30/43/11/372304311.db2.gz ONTKABLIXSDNJS-ZIAGYGMSSA-N 1 2 260.385 2.217 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCCC[C@@H]2C)nn1 ZINC000641087311 372303394 /nfs/dbraw/zinc/30/33/94/372303394.db2.gz 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/nfs/dbraw/zinc/62/71/84/372627184.db2.gz XFMFEJGFNUBZKS-UONOGXRCSA-N 1 2 286.379 2.059 20 30 CEEDLO CN(c1ncccc1C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000363100032 372628662 /nfs/dbraw/zinc/62/86/62/372628662.db2.gz SLUXEHXNKLVDPA-UHFFFAOYSA-N 1 2 293.374 2.453 20 30 CEEDLO N#CCSCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000364803209 372794278 /nfs/dbraw/zinc/79/42/78/372794278.db2.gz QZIPELZECCKVSX-ZDUSSCGKSA-N 1 2 287.392 2.131 20 30 CEEDLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)[nH]1 ZINC000270626265 372870384 /nfs/dbraw/zinc/87/03/84/372870384.db2.gz DKMFYLMUOKMLNC-SECBINFHSA-N 1 2 259.313 2.244 20 30 CEEDLO CC#CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000361635530 261362203 /nfs/dbraw/zinc/36/22/03/261362203.db2.gz FLYNAFMZDSPPJL-GFCCVEGCSA-N 1 2 260.341 2.060 20 30 CEEDLO C=CC[N@@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000272015693 373262063 /nfs/dbraw/zinc/26/20/63/373262063.db2.gz KKYVPVWGGWKRFA-UHFFFAOYSA-N 1 2 269.348 2.084 20 30 CEEDLO C=CC[N@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000272015693 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C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000329044972 376930257 /nfs/dbraw/zinc/93/02/57/376930257.db2.gz FLSVNVOEELYAAA-ZOBORPQBSA-N 1 2 295.427 2.073 20 30 CEEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000329044972 376930262 /nfs/dbraw/zinc/93/02/62/376930262.db2.gz FLSVNVOEELYAAA-ZOBORPQBSA-N 1 2 295.427 2.073 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])NCC1CC1)C2 ZINC000329276022 376935827 /nfs/dbraw/zinc/93/58/27/376935827.db2.gz KZHLPHFFVUCYOO-GFCCVEGCSA-N 1 2 290.411 2.409 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]CC1CC1)C2 ZINC000329276022 376935835 /nfs/dbraw/zinc/93/58/35/376935835.db2.gz KZHLPHFFVUCYOO-GFCCVEGCSA-N 1 2 290.411 2.409 20 30 CEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCS1 ZINC000329537529 376966378 /nfs/dbraw/zinc/96/63/78/376966378.db2.gz BQVYKWJNGMHFQA-MNOVXSKESA-N 1 2 294.424 2.008 20 30 CEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCS1 ZINC000329537529 376966386 /nfs/dbraw/zinc/96/63/86/376966386.db2.gz BQVYKWJNGMHFQA-MNOVXSKESA-N 1 2 294.424 2.008 20 30 CEEDLO N#CCc1ccc(C[N@H+]2C[C@H](F)C[C@H]2C(N)=O)cc1 ZINC000330591221 377195693 /nfs/dbraw/zinc/19/56/93/377195693.db2.gz VJDLECQXRWZSJO-OLZOCXBDSA-N 1 2 261.300 2.200 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)cc1 ZINC000330591221 377195701 /nfs/dbraw/zinc/19/57/01/377195701.db2.gz VJDLECQXRWZSJO-OLZOCXBDSA-N 1 2 261.300 2.200 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000292865556 377320418 /nfs/dbraw/zinc/32/04/18/377320418.db2.gz RZKSXKVKMWVLQX-UONOGXRCSA-N 1 2 297.420 2.075 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000292865556 377320428 /nfs/dbraw/zinc/32/04/28/377320428.db2.gz RZKSXKVKMWVLQX-UONOGXRCSA-N 1 2 297.420 2.075 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C)[nH]1 ZINC000428455008 377493249 /nfs/dbraw/zinc/49/32/49/377493249.db2.gz RPDBYKXQJFIYHZ-UHFFFAOYSA-N 1 2 256.353 2.344 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C)[nH]1 ZINC000428455008 377493251 /nfs/dbraw/zinc/49/32/51/377493251.db2.gz RPDBYKXQJFIYHZ-UHFFFAOYSA-N 1 2 256.353 2.344 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000293343375 377528141 /nfs/dbraw/zinc/52/81/41/377528141.db2.gz YVBAKZYUQMMABY-JTQLQIEISA-N 1 2 266.291 2.247 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000293343375 377528152 /nfs/dbraw/zinc/52/81/52/377528152.db2.gz YVBAKZYUQMMABY-JTQLQIEISA-N 1 2 266.291 2.247 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293433418 377566502 /nfs/dbraw/zinc/56/65/02/377566502.db2.gz OBMWBUDKTUONON-GYSYKLTISA-N 1 2 258.321 2.113 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000293433418 377566509 /nfs/dbraw/zinc/56/65/09/377566509.db2.gz OBMWBUDKTUONON-GYSYKLTISA-N 1 2 258.321 2.113 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)c2[nH+]ccn21 ZINC000565817605 377700594 /nfs/dbraw/zinc/70/05/94/377700594.db2.gz 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CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000455607128 379208826 /nfs/dbraw/zinc/20/88/26/379208826.db2.gz IWTPVSRGZNLPFD-UHFFFAOYSA-N 1 2 282.347 2.166 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000515495135 379225442 /nfs/dbraw/zinc/22/54/42/379225442.db2.gz FITBOIMFEUAWCS-NSHDSACASA-N 1 2 263.297 2.385 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(F)c1Cl ZINC000516475821 379281572 /nfs/dbraw/zinc/28/15/72/379281572.db2.gz LSTAXOGEMLHSSY-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c1C ZINC000267322436 190320751 /nfs/dbraw/zinc/32/07/51/190320751.db2.gz OYSKEBQJCQPXGO-CQSZACIVSA-N 1 2 276.380 2.194 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c1C ZINC000267322436 190320752 /nfs/dbraw/zinc/32/07/52/190320752.db2.gz OYSKEBQJCQPXGO-CQSZACIVSA-N 1 2 276.380 2.194 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528905928 380132173 /nfs/dbraw/zinc/13/21/73/380132173.db2.gz 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/nfs/dbraw/zinc/27/40/56/194274056.db2.gz DXUBTPNWCCUNJH-LBPRGKRZSA-N 1 2 262.357 2.265 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000491656492 380341484 /nfs/dbraw/zinc/34/14/84/380341484.db2.gz SRTQIHQEGDXSNR-UHFFFAOYSA-N 1 2 290.794 2.096 20 30 CEEDLO C#CC[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000491656492 380341491 /nfs/dbraw/zinc/34/14/91/380341491.db2.gz SRTQIHQEGDXSNR-UHFFFAOYSA-N 1 2 290.794 2.096 20 30 CEEDLO C[C@H](CNC(=O)/C=C/c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000492085322 380443005 /nfs/dbraw/zinc/44/30/05/380443005.db2.gz DDCKQKLHRSFAAY-PSKZRQQASA-N 1 2 294.358 2.220 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548320270 380501301 /nfs/dbraw/zinc/50/13/01/380501301.db2.gz ACBPTIJFBYDIHQ-ZDUSSCGKSA-N 1 2 295.346 2.200 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)o1 ZINC000334483887 380477848 /nfs/dbraw/zinc/47/78/48/380477848.db2.gz YXJSJLGIURPSAC-UHFFFAOYSA-N 1 2 254.289 2.415 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)o1 ZINC000334483887 380477850 /nfs/dbraw/zinc/47/78/50/380477850.db2.gz YXJSJLGIURPSAC-UHFFFAOYSA-N 1 2 254.289 2.415 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)s1 ZINC000493148920 380819619 /nfs/dbraw/zinc/81/96/19/380819619.db2.gz JSANMCVCFJPMBI-VGVVRCBHSA-N 1 2 297.811 2.375 20 30 CEEDLO Cn1c2ccccc2nc1C[NH2+]C[C@H](C#N)CCC#N ZINC000554452448 380770408 /nfs/dbraw/zinc/77/04/08/380770408.db2.gz PWQZYBGJDBGTAU-LBPRGKRZSA-N 1 2 267.336 2.106 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ncnn1C)Cc1ccccc1 ZINC000279246195 194350295 /nfs/dbraw/zinc/35/02/95/194350295.db2.gz GQAQKCSSPDOGGF-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO C=C(C)C[N@H+](Cc1ncnn1C)Cc1ccccc1 ZINC000279246195 194350297 /nfs/dbraw/zinc/35/02/97/194350297.db2.gz GQAQKCSSPDOGGF-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cn[nH]c1 ZINC000494650424 381161905 /nfs/dbraw/zinc/16/19/05/381161905.db2.gz DGDMMHDBPVGBLP-SNVBAGLBSA-N 1 2 294.318 2.182 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1C2CCC1CC2 ZINC000532916376 269703421 /nfs/dbraw/zinc/70/34/21/269703421.db2.gz KQRRDFNMVAXLHF-YMAMQOFZSA-N 1 2 270.332 2.399 20 30 CEEDLO C#CCCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000192119617 533009590 /nfs/dbraw/zinc/00/95/90/533009590.db2.gz SRQOOQSPKSJYPT-HNNXBMFYSA-N 1 2 285.391 2.090 20 30 CEEDLO C#CCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000192201506 533018734 /nfs/dbraw/zinc/01/87/34/533018734.db2.gz RFWNRRSXMAXKPG-UHFFFAOYSA-N 1 2 267.332 2.292 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000335337895 208221166 /nfs/dbraw/zinc/22/11/66/208221166.db2.gz YEQUWKVRJMIALC-ZDUSSCGKSA-N 1 2 270.311 2.341 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000335337895 208221169 /nfs/dbraw/zinc/22/11/69/208221169.db2.gz YEQUWKVRJMIALC-ZDUSSCGKSA-N 1 2 270.311 2.341 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCC[C@@H]2CCCO2)ccc1F ZINC000189254548 262169612 /nfs/dbraw/zinc/16/96/12/262169612.db2.gz CALZRKZUBVOOLX-LBPRGKRZSA-N 1 2 266.316 2.340 20 30 CEEDLO NC(Cc1ccccc1Cl)=[NH+]OCCOCC(F)F ZINC000189254836 262169688 /nfs/dbraw/zinc/16/96/88/262169688.db2.gz RUXXHUWBJPFQNS-UHFFFAOYSA-N 1 2 292.713 2.453 20 30 CEEDLO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000097989476 533389096 /nfs/dbraw/zinc/38/90/96/533389096.db2.gz KQKAHMOIEHVCBA-LBPRGKRZSA-N 1 2 276.311 2.082 20 30 CEEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000097989476 533389098 /nfs/dbraw/zinc/38/90/98/533389098.db2.gz KQKAHMOIEHVCBA-LBPRGKRZSA-N 1 2 276.311 2.082 20 30 CEEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000189826983 130026599 /nfs/dbraw/zinc/02/65/99/130026599.db2.gz DODVZHCXMSXBMF-HNNXBMFYSA-N 1 2 289.354 2.044 20 30 CEEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000189826983 130026602 /nfs/dbraw/zinc/02/66/02/130026602.db2.gz DODVZHCXMSXBMF-HNNXBMFYSA-N 1 2 289.354 2.044 20 30 CEEDLO Cc1cc(C[NH+]2CCN(CC#Cc3ccccc3)CC2)on1 ZINC000191859184 130319708 /nfs/dbraw/zinc/31/97/08/130319708.db2.gz JZGRNZYWNBOVHV-UHFFFAOYSA-N 1 2 295.386 2.152 20 30 CEEDLO O[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192060393 130360844 /nfs/dbraw/zinc/36/08/44/130360844.db2.gz AXJUHNZIRZBKPF-ZDUSSCGKSA-N 1 2 269.266 2.037 20 30 CEEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192060393 130360846 /nfs/dbraw/zinc/36/08/46/130360846.db2.gz AXJUHNZIRZBKPF-ZDUSSCGKSA-N 1 2 269.266 2.037 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000192232193 130398433 /nfs/dbraw/zinc/39/84/33/130398433.db2.gz TYTADQURYMJZEU-NSHDSACASA-N 1 2 264.756 2.082 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000192232193 130398436 /nfs/dbraw/zinc/39/84/36/130398436.db2.gz TYTADQURYMJZEU-NSHDSACASA-N 1 2 264.756 2.082 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044764889 134911245 /nfs/dbraw/zinc/91/12/45/134911245.db2.gz ANKVTVLDNYDFJB-UHFFFAOYSA-N 1 2 286.379 2.060 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000355629017 394481694 /nfs/dbraw/zinc/48/16/94/394481694.db2.gz PDVAYKZNTLEKAG-UHFFFAOYSA-N 1 2 283.335 2.239 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000355629017 394481699 /nfs/dbraw/zinc/48/16/99/394481699.db2.gz PDVAYKZNTLEKAG-UHFFFAOYSA-N 1 2 283.335 2.239 20 30 CEEDLO N#Cc1ccsc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000052033980 394557298 /nfs/dbraw/zinc/55/72/98/394557298.db2.gz IDJIGVXGCONZNB-UHFFFAOYSA-N 1 2 282.328 2.197 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C#N)CC1 ZINC000060893759 394567420 /nfs/dbraw/zinc/56/74/20/394567420.db2.gz HMUJSIVWMJSPNW-CYBMUJFWSA-N 1 2 283.375 2.200 20 30 CEEDLO Cc1cn2cc(NC(=O)N[C@@]3(C)CCO[C@H]3C)ccc2[nH+]1 ZINC000329552738 394572597 /nfs/dbraw/zinc/57/25/97/394572597.db2.gz JXSJKBJJRCQOCG-NHYWBVRUSA-N 1 2 288.351 2.345 20 30 CEEDLO CN(C)c1ccc(CNC(=O)N[C@H]2C=CCCC2)c[nH+]1 ZINC000329773786 394584938 /nfs/dbraw/zinc/58/49/38/394584938.db2.gz LRIPBEYRSUIUIE-ZDUSSCGKSA-N 1 2 274.368 2.260 20 30 CEEDLO CN(C)c1ccc(CNC(=O)C2CCC(=O)CC2)c[nH+]1 ZINC000329829547 394588519 /nfs/dbraw/zinc/58/85/19/394588519.db2.gz JTSQDIBJWTWGIG-UHFFFAOYSA-N 1 2 275.352 2.363 20 30 CEEDLO CC(C)CO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356134197 394546823 /nfs/dbraw/zinc/54/68/23/394546823.db2.gz KTOQFSFDRYFNEW-LBPRGKRZSA-N 1 2 265.382 2.262 20 30 CEEDLO CC(C)CO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356134197 394546825 /nfs/dbraw/zinc/54/68/25/394546825.db2.gz KTOQFSFDRYFNEW-LBPRGKRZSA-N 1 2 265.382 2.262 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000265851669 394655108 /nfs/dbraw/zinc/65/51/08/394655108.db2.gz PXJAZMOQYYRYLV-GFCCVEGCSA-N 1 2 270.336 2.371 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000265851669 394655109 /nfs/dbraw/zinc/65/51/09/394655109.db2.gz PXJAZMOQYYRYLV-GFCCVEGCSA-N 1 2 270.336 2.371 20 30 CEEDLO CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330317696 394600654 /nfs/dbraw/zinc/60/06/54/394600654.db2.gz QMONILIIHRNDOI-LLVKDONJSA-N 1 2 287.367 2.060 20 30 CEEDLO CC#CCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000359147435 394743196 /nfs/dbraw/zinc/74/31/96/394743196.db2.gz TZZPUUCCUDLWCF-UHFFFAOYSA-N 1 2 296.374 2.144 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000414474196 394744866 /nfs/dbraw/zinc/74/48/66/394744866.db2.gz XDXFIFXWZZPAHH-OAHLLOKOSA-N 1 2 265.328 2.422 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1 ZINC000414474196 394744871 /nfs/dbraw/zinc/74/48/71/394744871.db2.gz XDXFIFXWZZPAHH-OAHLLOKOSA-N 1 2 265.328 2.422 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334406576 394682692 /nfs/dbraw/zinc/68/26/92/394682692.db2.gz GUIKDEGBUQFEGV-GXTWGEPZSA-N 1 2 281.375 2.151 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000334406576 394682696 /nfs/dbraw/zinc/68/26/96/394682696.db2.gz GUIKDEGBUQFEGV-GXTWGEPZSA-N 1 2 281.375 2.151 20 30 CEEDLO Cn1c[nH+]cc1CO/N=C1/CCOc2ccccc21 ZINC000267739424 394684090 /nfs/dbraw/zinc/68/40/90/394684090.db2.gz FLOUMCCACTWZNT-SSZFMOIBSA-N 1 2 257.293 2.124 20 30 CEEDLO C=CCOc1cccc(C[N@H+](CC)Cc2cn(C)nn2)c1 ZINC000359297073 394746288 /nfs/dbraw/zinc/74/62/88/394746288.db2.gz JDEBNCNXGZZWFX-UHFFFAOYSA-N 1 2 286.379 2.402 20 30 CEEDLO C=CCOc1cccc(C[N@@H+](CC)Cc2cn(C)nn2)c1 ZINC000359297073 394746294 /nfs/dbraw/zinc/74/62/94/394746294.db2.gz JDEBNCNXGZZWFX-UHFFFAOYSA-N 1 2 286.379 2.402 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCSC[C@@H]2C2CC2)n1 ZINC000334679591 394703970 /nfs/dbraw/zinc/70/39/70/394703970.db2.gz QCJPYUMJWCPSQB-LLVKDONJSA-N 1 2 265.407 2.342 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCSC[C@@H]2C2CC2)n1 ZINC000334679591 394703974 /nfs/dbraw/zinc/70/39/74/394703974.db2.gz QCJPYUMJWCPSQB-LLVKDONJSA-N 1 2 265.407 2.342 20 30 CEEDLO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000271113590 394747406 /nfs/dbraw/zinc/74/74/06/394747406.db2.gz CZEYVJONNWESDI-OLZOCXBDSA-N 1 2 290.363 2.218 20 30 CEEDLO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000271113590 394747410 /nfs/dbraw/zinc/74/74/10/394747410.db2.gz CZEYVJONNWESDI-OLZOCXBDSA-N 1 2 290.363 2.218 20 30 CEEDLO 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KJQYBWFNUWALJR-UHFFFAOYSA-N 1 2 275.396 2.246 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1F ZINC000191925371 153198906 /nfs/dbraw/zinc/19/89/06/153198906.db2.gz CAHLIQBEDCLRPJ-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CCn1ncnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000359070607 154874053 /nfs/dbraw/zinc/87/40/53/154874053.db2.gz JTUOUYKRAJCFRZ-NSHDSACASA-N 1 2 255.325 2.020 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cc(F)cc(OC)c2)nn1 ZINC000657423232 414927463 /nfs/dbraw/zinc/92/74/63/414927463.db2.gz BLGOEPQNJCIIBS-UHFFFAOYSA-N 1 2 290.342 2.292 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cc(F)ccc2F)nn1 ZINC000657350901 414876446 /nfs/dbraw/zinc/87/64/46/414876446.db2.gz XSVYDZMXDRPANV-UHFFFAOYSA-N 1 2 278.306 2.422 20 30 CEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000660704956 414942071 /nfs/dbraw/zinc/94/20/71/414942071.db2.gz JBYJQMMTWBZOCI-STQMWFEESA-N 1 2 276.384 2.354 20 30 CEEDLO C=CCCN(C)c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663836832 415064722 /nfs/dbraw/zinc/06/47/22/415064722.db2.gz 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C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000656538304 415750262 /nfs/dbraw/zinc/75/02/62/415750262.db2.gz UZAKACJGOVDCRZ-ZIAGYGMSSA-N 1 2 276.384 2.317 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000339759526 262665680 /nfs/dbraw/zinc/66/56/80/262665680.db2.gz FBRRRLVJFAOZSZ-UHFFFAOYSA-N 1 2 272.392 2.163 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000339759526 262665681 /nfs/dbraw/zinc/66/56/81/262665681.db2.gz FBRRRLVJFAOZSZ-UHFFFAOYSA-N 1 2 272.392 2.163 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)[C@@]3(C#N)C[C@@H]3C)ccc2n1C ZINC000334753291 225308144 /nfs/dbraw/zinc/30/81/44/225308144.db2.gz RRQIUJPHFWHOIS-BJOHPYRUSA-N 1 2 268.320 2.370 20 30 CEEDLO N#C[C@H]1CC[C@H](Nc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000442850347 226064983 /nfs/dbraw/zinc/06/49/83/226064983.db2.gz PDSNYOGJPBDQJL-STQMWFEESA-N 1 2 272.352 2.022 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnn([C@@H](C)C3CC3)c2)[N@H+](C)C1 ZINC000329012758 227257541 /nfs/dbraw/zinc/25/75/41/227257541.db2.gz FCARXXYOWBOHCT-BPNCWPANSA-N 1 2 292.383 2.161 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnn([C@@H](C)C3CC3)c2)[N@@H+](C)C1 ZINC000329012758 227257545 /nfs/dbraw/zinc/25/75/45/227257545.db2.gz FCARXXYOWBOHCT-BPNCWPANSA-N 1 2 292.383 2.161 20 30 CEEDLO O=C(CCn1cc[nH+]c1)N[C@H]1CCOC2(CCC2)C1 ZINC000330168726 228054895 /nfs/dbraw/zinc/05/48/95/228054895.db2.gz BBCRJSKKYSBGSH-LBPRGKRZSA-N 1 2 263.341 2.331 20 30 CEEDLO Cc1ccc(C#N)c(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000204869650 419459109 /nfs/dbraw/zinc/45/91/09/419459109.db2.gz PBALSSCARVHCSM-LLVKDONJSA-N 1 2 255.325 2.206 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000179577193 260055433 /nfs/dbraw/zinc/05/54/33/260055433.db2.gz CQLGFDNNSIFHCE-ZDUSSCGKSA-N 1 2 294.782 2.355 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000179577193 260055435 /nfs/dbraw/zinc/05/54/35/260055435.db2.gz CQLGFDNNSIFHCE-ZDUSSCGKSA-N 1 2 294.782 2.355 20 30 CEEDLO C=C(CNC(=O)NCc1[nH+]ccn1CC)c1ccccc1 ZINC000297569355 260129263 /nfs/dbraw/zinc/12/92/63/260129263.db2.gz BRWWZWGHWLARMQ-UHFFFAOYSA-N 1 2 284.363 2.416 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)C ZINC000297708638 260132665 /nfs/dbraw/zinc/13/26/65/260132665.db2.gz ASNFRDYIKRJCDG-LBPRGKRZSA-N 1 2 264.344 2.290 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)C ZINC000297708638 260132663 /nfs/dbraw/zinc/13/26/63/260132663.db2.gz ASNFRDYIKRJCDG-LBPRGKRZSA-N 1 2 264.344 2.290 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCN(C(C)C)C1=O ZINC000298037067 260141460 /nfs/dbraw/zinc/14/14/60/260141460.db2.gz GHJZSDQCNZFDQD-INIZCTEOSA-N 1 2 288.366 2.270 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(C(C)C)C1=O ZINC000298037067 260141462 /nfs/dbraw/zinc/14/14/62/260141462.db2.gz GHJZSDQCNZFDQD-INIZCTEOSA-N 1 2 288.366 2.270 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCC(F)(F)F ZINC000298610191 260159283 /nfs/dbraw/zinc/15/92/83/260159283.db2.gz TUPYPEPOWYCOOS-GFCCVEGCSA-N 1 2 298.308 2.189 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCC(F)(F)F ZINC000298610191 260159284 /nfs/dbraw/zinc/15/92/84/260159284.db2.gz TUPYPEPOWYCOOS-GFCCVEGCSA-N 1 2 298.308 2.189 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nncn1C ZINC000299026618 260170659 /nfs/dbraw/zinc/17/06/59/260170659.db2.gz RFNLPBWRFXBUAA-GFCCVEGCSA-N 1 2 260.341 2.200 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nncn1C ZINC000299026618 260170660 /nfs/dbraw/zinc/17/06/60/260170660.db2.gz RFNLPBWRFXBUAA-GFCCVEGCSA-N 1 2 260.341 2.200 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(C(=O)OC)c1C#N ZINC000517755218 260176596 /nfs/dbraw/zinc/17/65/96/260176596.db2.gz REGXNBUUGPGVDU-GFCCVEGCSA-N 1 2 271.320 2.127 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCCO[C@@H]2CCOC2)c1O ZINC000129350247 260835659 /nfs/dbraw/zinc/83/56/59/260835659.db2.gz IAFMNJXSDUPNOX-SWEABUAFSA-N 1 2 293.363 2.405 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000490688746 261185760 /nfs/dbraw/zinc/18/57/60/261185760.db2.gz LBQBFIQIGLVOFF-UHFFFAOYSA-N 1 2 298.386 2.038 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000490688746 261185763 /nfs/dbraw/zinc/18/57/63/261185763.db2.gz LBQBFIQIGLVOFF-UHFFFAOYSA-N 1 2 298.386 2.038 20 30 CEEDLO C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000490742205 261200919 /nfs/dbraw/zinc/20/09/19/261200919.db2.gz XXGNUVOAKRQTKR-UHFFFAOYSA-N 1 2 259.353 2.137 20 30 CEEDLO C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000490742205 261200920 /nfs/dbraw/zinc/20/09/20/261200920.db2.gz XXGNUVOAKRQTKR-UHFFFAOYSA-N 1 2 259.353 2.137 20 30 CEEDLO C[C@@]([NH2+]CC#Cc1ccc(F)cc1)(C(N)=O)c1ccccc1 ZINC000178523149 261397022 /nfs/dbraw/zinc/39/70/22/261397022.db2.gz WAXODBCEPLUYID-SFHVURJKSA-N 1 2 296.345 2.168 20 30 CEEDLO COCCCCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186830160 262111626 /nfs/dbraw/zinc/11/16/26/262111626.db2.gz JXSQZPMQYRGQHW-UHFFFAOYSA-N 1 2 284.331 2.310 20 30 CEEDLO C[C@@H]1C[C@@H](C=[NH+]n2ccnn2)CCN1C(=O)OC(C)(C)C ZINC000497256782 262125668 /nfs/dbraw/zinc/12/56/68/262125668.db2.gz IRSYTPQGIDDWNZ-NEPJUHHUSA-N 1 2 293.371 2.148 20 30 CEEDLO N#CCCC[S@@](=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000190809551 262185609 /nfs/dbraw/zinc/18/56/09/262185609.db2.gz CVQUOTRRZPUOPZ-HXUWFJFHSA-N 1 2 287.388 2.484 20 30 CEEDLO C=CCNC(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000364508186 262253493 /nfs/dbraw/zinc/25/34/93/262253493.db2.gz JZFUIBARPXGZGF-UHFFFAOYSA-N 1 2 294.345 2.446 20 30 CEEDLO C=CCOCC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000339060810 262590891 /nfs/dbraw/zinc/59/08/91/262590891.db2.gz RYWDZTGWVLXRHU-UHFFFAOYSA-N 1 2 255.358 2.045 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1OC ZINC000366514285 262676864 /nfs/dbraw/zinc/67/68/64/262676864.db2.gz CTPMIYHBKPUFPN-HIFRSBDPSA-N 1 2 275.348 2.233 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1OC ZINC000366514285 262676865 /nfs/dbraw/zinc/67/68/65/262676865.db2.gz CTPMIYHBKPUFPN-HIFRSBDPSA-N 1 2 275.348 2.233 20 30 CEEDLO Cc1nc(CCO[NH+]=C(N)[C@@H](C)OCC(C)C)cs1 ZINC000276682049 263037740 /nfs/dbraw/zinc/03/77/40/263037740.db2.gz FMYLVXVGQDZMJE-SNVBAGLBSA-N 1 2 285.413 2.344 20 30 CEEDLO CCNC(=O)C1(C/[NH+]=C/c2cc(OC)ccc2O)CCC1 ZINC000276964236 263038720 /nfs/dbraw/zinc/03/87/20/263038720.db2.gz ZAPZKFNASJZVDR-LICLKQGHSA-N 1 2 290.363 2.126 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000281180019 263066981 /nfs/dbraw/zinc/06/69/81/263066981.db2.gz AVEIQXOPRUDCSB-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000281760336 263071718 /nfs/dbraw/zinc/07/17/18/263071718.db2.gz KFHZZDDPTQCSJS-GZXAXZFRSA-N 1 2 277.320 2.204 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000281855901 263072412 /nfs/dbraw/zinc/07/24/12/263072412.db2.gz QJRWULKGJMHRAO-JYVCUDMJSA-N 1 2 261.321 2.498 20 30 CEEDLO CO/N=C/C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000282964808 263080020 /nfs/dbraw/zinc/08/00/20/263080020.db2.gz IEDWHTPPLVNHSY-WOJGMQOQSA-N 1 2 298.346 2.457 20 30 CEEDLO NC(=[NH+]OCCOc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000283765203 263084040 /nfs/dbraw/zinc/08/40/40/263084040.db2.gz BKBFJFYLKRFTII-LBPRGKRZSA-N 1 2 284.743 2.187 20 30 CEEDLO NC(=[NH+]OCCCOc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000283872307 263084560 /nfs/dbraw/zinc/08/45/60/263084560.db2.gz CMFQCUXNSHZQKY-ZDUSSCGKSA-N 1 2 282.315 2.062 20 30 CEEDLO NC(=[NH+]OCc1cccc(OC(F)F)c1)[C@H]1CCCO1 ZINC000284519561 263086985 /nfs/dbraw/zinc/08/69/85/263086985.db2.gz UMTHFAXYCICIEK-LLVKDONJSA-N 1 2 286.278 2.256 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC[C@H](O)c1ccccc1 ZINC000288688678 263105472 /nfs/dbraw/zinc/10/54/72/263105472.db2.gz SZDJBZFCYCWLRF-HIFRSBDPSA-N 1 2 294.395 2.460 20 30 CEEDLO C[C@H](CC#N)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290695620 263118273 /nfs/dbraw/zinc/11/82/73/263118273.db2.gz MZQFJNSFQYYMQO-SNVBAGLBSA-N 1 2 257.297 2.100 20 30 CEEDLO COCC1(CO[NH+]=C(N)Cc2csc(C)n2)CCC1 ZINC000291894023 263126266 /nfs/dbraw/zinc/12/62/66/263126266.db2.gz MOAKISAVDKCMQO-UHFFFAOYSA-N 1 2 283.397 2.100 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000292704382 263134114 /nfs/dbraw/zinc/13/41/14/263134114.db2.gz ASXSGIUPHJOXLJ-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000292704382 263134115 /nfs/dbraw/zinc/13/41/15/263134115.db2.gz ASXSGIUPHJOXLJ-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO C[C@H]1C[N@H+](CCOCCC#N)C[C@H](c2ccsc2)O1 ZINC000292928943 263136496 /nfs/dbraw/zinc/13/64/96/263136496.db2.gz YUMSPNOWFXRACP-GXTWGEPZSA-N 1 2 280.393 2.440 20 30 CEEDLO C[C@H]1C[N@@H+](CCOCCC#N)C[C@H](c2ccsc2)O1 ZINC000292928943 263136497 /nfs/dbraw/zinc/13/64/97/263136497.db2.gz YUMSPNOWFXRACP-GXTWGEPZSA-N 1 2 280.393 2.440 20 30 CEEDLO C[C@@H]1C[N@H+](CCOCCC#N)C[C@@H](c2ccsc2)O1 ZINC000292928950 263136614 /nfs/dbraw/zinc/13/66/14/263136614.db2.gz YUMSPNOWFXRACP-OCCSQVGLSA-N 1 2 280.393 2.440 20 30 CEEDLO C[C@@H]1C[N@@H+](CCOCCC#N)C[C@@H](c2ccsc2)O1 ZINC000292928950 263136615 /nfs/dbraw/zinc/13/66/15/263136615.db2.gz YUMSPNOWFXRACP-OCCSQVGLSA-N 1 2 280.393 2.440 20 30 CEEDLO C=C(Cl)CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366701469 263168600 /nfs/dbraw/zinc/16/86/00/263168600.db2.gz PHZBOPLTHVQQRL-LLVKDONJSA-N 1 2 282.775 2.121 20 30 CEEDLO N#CC[C@@H]1CC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000295552755 263179329 /nfs/dbraw/zinc/17/93/29/263179329.db2.gz MMWDCQPORKOQTQ-JSGCOSHPSA-N 1 2 295.346 2.079 20 30 CEEDLO CN1C(=O)C[C@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000298584286 263222652 /nfs/dbraw/zinc/22/26/52/263222652.db2.gz RFIRQHQYDAMNPZ-GXTWGEPZSA-N 1 2 277.755 2.115 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000341995790 263373468 /nfs/dbraw/zinc/37/34/68/263373468.db2.gz SBFGVEYNRSTRHT-UHFFFAOYSA-N 1 2 295.364 2.408 20 30 CEEDLO CN(C)C(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000330836686 264050877 /nfs/dbraw/zinc/05/08/77/264050877.db2.gz LWMIMRHVPDZDGW-RBSFLKMASA-N 1 2 271.364 2.098 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330841410 264064918 /nfs/dbraw/zinc/06/49/18/264064918.db2.gz 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ZINC000425225889 267148815 /nfs/dbraw/zinc/14/88/15/267148815.db2.gz GPPKQGCWFZEXTJ-HUUCEWRRSA-N 1 2 271.364 2.443 20 30 CEEDLO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368457986 267173497 /nfs/dbraw/zinc/17/34/97/267173497.db2.gz LWVGXJFVVZWOCN-ZDUSSCGKSA-N 1 2 298.346 2.365 20 30 CEEDLO CCOc1ncccc1CNc1cc(C)[nH+]cc1C#N ZINC000425210696 267177266 /nfs/dbraw/zinc/17/72/66/267177266.db2.gz SACBXQHGBGPGPX-UHFFFAOYSA-N 1 2 268.320 2.089 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459424538 267231082 /nfs/dbraw/zinc/23/10/82/267231082.db2.gz ABEQRBPMXDYWQC-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCCO1 ZINC000459424538 267231084 /nfs/dbraw/zinc/23/10/84/267231084.db2.gz ABEQRBPMXDYWQC-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO N#C[C@H]1[N@H+](CCCCCO)CCC[C@]12CCCCO2 ZINC000369374690 267239317 /nfs/dbraw/zinc/23/93/17/267239317.db2.gz KMRRKSZEVLUOPX-HUUCEWRRSA-N 1 2 266.385 2.076 20 30 CEEDLO N#C[C@H]1[N@@H+](CCCCCO)CCC[C@]12CCCCO2 ZINC000369374690 267239320 /nfs/dbraw/zinc/23/93/20/267239320.db2.gz KMRRKSZEVLUOPX-HUUCEWRRSA-N 1 2 266.385 2.076 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)Cc1cccc(C#N)c1 ZINC000531547107 267242709 /nfs/dbraw/zinc/24/27/09/267242709.db2.gz VJYIKIGLYNTMKZ-UHFFFAOYSA-N 1 2 265.316 2.119 20 30 CEEDLO CC[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000369534120 267248924 /nfs/dbraw/zinc/24/89/24/267248924.db2.gz YCAQTLODKPHTCE-BZUAXINKSA-N 1 2 291.395 2.090 20 30 CEEDLO CC[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000369534120 267248925 /nfs/dbraw/zinc/24/89/25/267248925.db2.gz YCAQTLODKPHTCE-BZUAXINKSA-N 1 2 291.395 2.090 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccccc1C#N ZINC000492410663 267256396 /nfs/dbraw/zinc/25/63/96/267256396.db2.gz ROWJBVODGHZSGB-BQYQJAHWSA-N 1 2 266.304 2.427 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000459371559 267311713 /nfs/dbraw/zinc/31/17/13/267311713.db2.gz IJLZKPDRXDCNHR-IUODEOHRSA-N 1 2 289.335 2.059 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000459371559 267311715 /nfs/dbraw/zinc/31/17/15/267311715.db2.gz IJLZKPDRXDCNHR-IUODEOHRSA-N 1 2 289.335 2.059 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000370487797 267322390 /nfs/dbraw/zinc/32/23/90/267322390.db2.gz HTYQMRDTIGYDDT-VIFPVBQESA-N 1 2 289.301 2.114 20 30 CEEDLO C=CCC[C@H](O)C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000370487797 267322393 /nfs/dbraw/zinc/32/23/93/267322393.db2.gz HTYQMRDTIGYDDT-VIFPVBQESA-N 1 2 289.301 2.114 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)c1c(C#N)cnc2ccccc21 ZINC000428131181 267323266 /nfs/dbraw/zinc/32/32/66/267323266.db2.gz NCVWGQWNOJUINY-UHFFFAOYSA-N 1 2 263.304 2.466 20 30 CEEDLO Cc1cc[nH+]cc1N1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000487742521 268066112 /nfs/dbraw/zinc/06/61/12/268066112.db2.gz URPBQAKPEXNPDI-UHFFFAOYSA-N 1 2 293.374 2.292 20 30 CEEDLO Cc1cc(N2CCN(c3ccc(F)cn3)CC2)c(C#N)c[nH+]1 ZINC000425244830 271144638 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C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C(C)C)cn2)C1 ZINC000950979215 613296922 /nfs/dbraw/zinc/29/69/22/613296922.db2.gz FSLULMXHOATNPV-UHFFFAOYSA-N 1 2 290.411 2.186 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000957388517 613318666 /nfs/dbraw/zinc/31/86/66/613318666.db2.gz IHIRZXUWSJXPIG-MRXNPFEDSA-N 1 2 288.391 2.094 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C)cc2OC)CC1 ZINC000957387131 613320612 /nfs/dbraw/zinc/32/06/12/613320612.db2.gz HLZDVFGSZGJYMF-UHFFFAOYSA-N 1 2 288.391 2.338 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC000969590449 613372226 /nfs/dbraw/zinc/37/22/26/613372226.db2.gz GMUBZOBQMZHMKJ-NSHDSACASA-N 1 2 281.787 2.126 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000982026229 613373842 /nfs/dbraw/zinc/37/38/42/613373842.db2.gz MXUGPUKEBAMULU-GFCCVEGCSA-N 1 2 268.788 2.073 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000982026229 613373843 /nfs/dbraw/zinc/37/38/43/613373843.db2.gz MXUGPUKEBAMULU-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/65/34/80/613653480.db2.gz XSVPOSCYHVTBIF-QWHCGFSZSA-N 1 2 286.366 2.387 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC000957070525 613654941 /nfs/dbraw/zinc/65/49/41/613654941.db2.gz HUYNDGLYVDUCGD-GOEBONIOSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC000957070527 613655061 /nfs/dbraw/zinc/65/50/61/613655061.db2.gz HUYNDGLYVDUCGD-HOCLYGCPSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000951361417 613655383 /nfs/dbraw/zinc/65/53/83/613655383.db2.gz DKXCODIQDHENEE-INIZCTEOSA-N 1 2 299.418 2.220 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000957817555 613707622 /nfs/dbraw/zinc/70/76/22/613707622.db2.gz MYGFRYFZFYLHTR-ZIAGYGMSSA-N 1 2 264.413 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cc3ccccc3o2)CC1 ZINC000949564702 613709329 /nfs/dbraw/zinc/70/93/29/613709329.db2.gz UYXLZPGYHFHAIJ-UHFFFAOYSA-N 1 2 284.359 2.306 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc32)CC1 ZINC000957503560 613713149 /nfs/dbraw/zinc/71/31/49/613713149.db2.gz RBRLEBQKHHYHAQ-HNNXBMFYSA-N 1 2 290.794 2.310 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000949551342 613715299 /nfs/dbraw/zinc/71/52/99/613715299.db2.gz IUZALZTXQUZIFP-UHFFFAOYSA-N 1 2 288.178 2.265 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000957539088 613716177 /nfs/dbraw/zinc/71/61/77/613716177.db2.gz UQLGDBNMENCHQG-UHFFFAOYSA-N 1 2 287.388 2.240 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2CC)CC1 ZINC000949915275 613717036 /nfs/dbraw/zinc/71/70/36/613717036.db2.gz MJKDJGKRAVDKJP-UHFFFAOYSA-N 1 2 258.365 2.193 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000949152575 613717801 /nfs/dbraw/zinc/71/78/01/613717801.db2.gz VDCMITCLGJKWBZ-UHFFFAOYSA-N 1 2 283.375 2.122 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@H](OCCOC)C1 ZINC000179343745 625377460 /nfs/dbraw/zinc/37/74/60/625377460.db2.gz NGSNTOJPTPLLPP-NSHDSACASA-N 1 2 278.190 2.022 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000179343745 625377493 /nfs/dbraw/zinc/37/74/93/625377493.db2.gz NGSNTOJPTPLLPP-NSHDSACASA-N 1 2 278.190 2.022 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC1 ZINC001024291889 625506336 /nfs/dbraw/zinc/50/63/36/625506336.db2.gz JNRQHDYRTJHEDL-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC1 ZINC001024291889 625506339 /nfs/dbraw/zinc/50/63/39/625506339.db2.gz JNRQHDYRTJHEDL-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccn1C ZINC001024335255 625516121 /nfs/dbraw/zinc/51/61/21/625516121.db2.gz LRHUWNQSDROTAD-ZDUSSCGKSA-N 1 2 295.814 2.362 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccn1C ZINC001024335255 625516128 /nfs/dbraw/zinc/51/61/28/625516128.db2.gz LRHUWNQSDROTAD-ZDUSSCGKSA-N 1 2 295.814 2.362 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](CC)C2)c1=S ZINC000098051451 622771117 /nfs/dbraw/zinc/77/11/17/622771117.db2.gz RVLSLCPTKUWXQL-NSHDSACASA-N 1 2 267.402 2.075 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](CC)C2)c1=S ZINC000098051451 622771122 /nfs/dbraw/zinc/77/11/22/622771122.db2.gz RVLSLCPTKUWXQL-NSHDSACASA-N 1 2 267.402 2.075 20 30 CEEDLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000933230718 623546416 /nfs/dbraw/zinc/54/64/16/623546416.db2.gz KJLDUPFGKRAICW-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000933230718 623546421 /nfs/dbraw/zinc/54/64/21/623546421.db2.gz KJLDUPFGKRAICW-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO CN(CCO[NH+]=C(N)Cc1cccnc1)c1ccccc1 ZINC000092914140 624108540 /nfs/dbraw/zinc/10/85/40/624108540.db2.gz OXYJSCCQXUIUGG-UHFFFAOYSA-N 1 2 284.363 2.049 20 30 CEEDLO N#Cc1cc(C[N@@H+](CCO)Cc2cccnc2)cs1 ZINC000891933624 624114774 /nfs/dbraw/zinc/11/47/74/624114774.db2.gz SOKZKATZHSHXSO-UHFFFAOYSA-N 1 2 273.361 2.009 20 30 CEEDLO N#Cc1cc(C[N@H+](CCO)Cc2cccnc2)cs1 ZINC000891933624 624114777 /nfs/dbraw/zinc/11/47/77/624114777.db2.gz SOKZKATZHSHXSO-UHFFFAOYSA-N 1 2 273.361 2.009 20 30 CEEDLO Cc1cc(Br)c(O)c(C[NH2+]CCC#N)c1 ZINC000309080347 624530892 /nfs/dbraw/zinc/53/08/92/624530892.db2.gz OQZINMJRFPZOGD-UHFFFAOYSA-N 1 2 269.142 2.466 20 30 CEEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000820604017 634472074 /nfs/dbraw/zinc/47/20/74/634472074.db2.gz ASZPZNVSRLJQIY-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1Cl ZINC001018199551 627378282 /nfs/dbraw/zinc/37/82/82/627378282.db2.gz QNMFEALQFURTIZ-TXEJJXNPSA-N 1 2 291.782 2.210 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1Cl ZINC001018199551 627378287 /nfs/dbraw/zinc/37/82/87/627378287.db2.gz QNMFEALQFURTIZ-TXEJJXNPSA-N 1 2 291.782 2.210 20 30 CEEDLO Cc1cc(C#N)nc(N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000892828764 627800162 /nfs/dbraw/zinc/80/01/62/627800162.db2.gz NRVQGCIPRDNRRT-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO Cc1cc(C#N)nc(N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000892828764 627800169 /nfs/dbraw/zinc/80/01/69/627800169.db2.gz NRVQGCIPRDNRRT-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO C[N@H+](Cc1ncc(Br)cn1)[C@@H]1CC[C@H](C#N)C1 ZINC000931862907 628867154 /nfs/dbraw/zinc/86/71/54/628867154.db2.gz DODBCACFAGUJMY-GXSJLCMTSA-N 1 2 295.184 2.363 20 30 CEEDLO C[N@@H+](Cc1ncc(Br)cn1)[C@@H]1CC[C@H](C#N)C1 ZINC000931862907 628867156 /nfs/dbraw/zinc/86/71/56/628867156.db2.gz DODBCACFAGUJMY-GXSJLCMTSA-N 1 2 295.184 2.363 20 30 CEEDLO C#CCSCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990170 629079861 /nfs/dbraw/zinc/07/98/61/629079861.db2.gz CYAXLVJJSFKKNV-HNNXBMFYSA-N 1 2 299.399 2.107 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)C(=O)OC ZINC000878671130 629256140 /nfs/dbraw/zinc/25/61/40/629256140.db2.gz ADRTYWJIRPDNFM-XQQFMLRXSA-N 1 2 269.385 2.286 20 30 CEEDLO COCCCON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000795053963 629424435 /nfs/dbraw/zinc/42/44/35/629424435.db2.gz VHCCQKUGDXUYCB-UHFFFAOYSA-N 1 2 262.353 2.431 20 30 CEEDLO C#C[C@@H](Nc1cc(CC)[nH+]c(CC)n1)C1CCOCC1 ZINC000894601271 629547775 /nfs/dbraw/zinc/54/77/75/629547775.db2.gz JWXXMNWVTHZJMC-CQSZACIVSA-N 1 2 273.380 2.442 20 30 CEEDLO C#C[C@H](Nc1cc(CC)[nH+]c(CC)n1)C1CCOCC1 ZINC000894601267 629547862 /nfs/dbraw/zinc/54/78/62/629547862.db2.gz JWXXMNWVTHZJMC-AWEZNQCLSA-N 1 2 273.380 2.442 20 30 CEEDLO CN(C)c1cc(N2CCc3c(CC#N)cccc3C2)nc[nH+]1 ZINC000894822153 629658399 /nfs/dbraw/zinc/65/83/99/629658399.db2.gz NYRMHKRVWUPUGC-UHFFFAOYSA-N 1 2 293.374 2.171 20 30 CEEDLO CN(C)c1cc(N2CCc3c(CC#N)cccc3C2)[nH+]cn1 ZINC000894822153 629658405 /nfs/dbraw/zinc/65/84/05/629658405.db2.gz NYRMHKRVWUPUGC-UHFFFAOYSA-N 1 2 293.374 2.171 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000894983346 629784372 /nfs/dbraw/zinc/78/43/72/629784372.db2.gz BHBBTXXLWNENKG-KGLIPLIRSA-N 1 2 279.380 2.023 20 30 CEEDLO C=CCCC[N@@H+](CC)Cn1nc(CC#N)n(C)c1=S ZINC000902668462 634775806 /nfs/dbraw/zinc/77/58/06/634775806.db2.gz BCLAHAPESRYJQV-UHFFFAOYSA-N 1 2 279.413 2.263 20 30 CEEDLO C=CCCC[N@H+](CC)Cn1nc(CC#N)n(C)c1=S ZINC000902668462 634775807 /nfs/dbraw/zinc/77/58/07/634775807.db2.gz BCLAHAPESRYJQV-UHFFFAOYSA-N 1 2 279.413 2.263 20 30 CEEDLO Cc1[nH]c([C@@H]2CCCN2c2cnc(C#N)cn2)[nH+]c1C ZINC000895193481 630025091 /nfs/dbraw/zinc/02/50/91/630025091.db2.gz PAQVTULSSPZSFS-LBPRGKRZSA-N 1 2 268.324 2.030 20 30 CEEDLO CC1(C)OC[C@H](C[N@@H+]2Cc3ccc(C#N)cc3C2)O1 ZINC000895216738 630038643 /nfs/dbraw/zinc/03/86/43/630038643.db2.gz ZUXKIWOQHRBGDM-AWEZNQCLSA-N 1 2 258.321 2.025 20 30 CEEDLO CC1(C)OC[C@H](C[N@H+]2Cc3ccc(C#N)cc3C2)O1 ZINC000895216738 630038644 /nfs/dbraw/zinc/03/86/44/630038644.db2.gz ZUXKIWOQHRBGDM-AWEZNQCLSA-N 1 2 258.321 2.025 20 30 CEEDLO CCc1ncc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000902721782 634793695 /nfs/dbraw/zinc/79/36/95/634793695.db2.gz JHHPCMMTRLTLAM-UHFFFAOYSA-N 1 2 287.319 2.009 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)OCC ZINC000895593249 630269150 /nfs/dbraw/zinc/26/91/50/630269150.db2.gz YGEKLGAVFJADOZ-UTUOFQBUSA-N 1 2 257.399 2.368 20 30 CEEDLO C#Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000895630828 630280564 /nfs/dbraw/zinc/28/05/64/630280564.db2.gz ZBDUHQADCJBDKF-UHFFFAOYSA-N 1 2 293.370 2.173 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)C(=O)OC ZINC000895754308 630330850 /nfs/dbraw/zinc/33/08/50/630330850.db2.gz OCERGBRHIQGOLY-RWMBFGLXSA-N 1 2 267.369 2.041 20 30 CEEDLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2csc(C#N)c2)C1 ZINC000895947467 630410732 /nfs/dbraw/zinc/41/07/32/630410732.db2.gz FFEGORWEHIPHJA-JTQLQIEISA-N 1 2 278.377 2.251 20 30 CEEDLO C[C@@H]1C[NH+](Cc2csc(C#N)c2)C[C@@H](C)N1CC#N ZINC000895970294 630423546 /nfs/dbraw/zinc/42/35/46/630423546.db2.gz TVABFICTHOYHGJ-VXGBXAGGSA-N 1 2 274.393 2.038 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cocn3)C2)nc1 ZINC000896654669 630627325 /nfs/dbraw/zinc/62/73/25/630627325.db2.gz PZBNGNVSZSRWJZ-CYBMUJFWSA-N 1 2 283.335 2.018 20 30 CEEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cocn3)C2)nc1 ZINC000896654669 630627326 /nfs/dbraw/zinc/62/73/26/630627326.db2.gz PZBNGNVSZSRWJZ-CYBMUJFWSA-N 1 2 283.335 2.018 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1snc(C)c1C#N)C2 ZINC000896654866 630627341 /nfs/dbraw/zinc/62/73/41/630627341.db2.gz PISSVYSXQCQCQW-UHFFFAOYSA-N 1 2 273.365 2.102 20 30 CEEDLO CNc1cc(N(C)Cc2cc(C#N)cs2)nc[nH+]1 ZINC000896920011 630812172 /nfs/dbraw/zinc/81/21/72/630812172.db2.gz CIEGQAWFHUJDKF-UHFFFAOYSA-N 1 2 259.338 2.088 20 30 CEEDLO CNc1cc(N(C)Cc2cc(C#N)cs2)[nH+]cn1 ZINC000896920011 630812177 /nfs/dbraw/zinc/81/21/77/630812177.db2.gz CIEGQAWFHUJDKF-UHFFFAOYSA-N 1 2 259.338 2.088 20 30 CEEDLO C=CC[N@H+](CN1C(=O)NC(C(C)C)(C(C)C)C1=O)C(C)C ZINC000799566522 631046361 /nfs/dbraw/zinc/04/63/61/631046361.db2.gz SZADSYOBFHXBDW-UHFFFAOYSA-N 1 2 295.427 2.443 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)NC(C(C)C)(C(C)C)C1=O)C(C)C ZINC000799566522 631046367 /nfs/dbraw/zinc/04/63/67/631046367.db2.gz SZADSYOBFHXBDW-UHFFFAOYSA-N 1 2 295.427 2.443 20 30 CEEDLO CN(CCO)c1ccc([NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000799725508 631070798 /nfs/dbraw/zinc/07/07/98/631070798.db2.gz XBWARDNEJZAWNM-TZMCWYRMSA-N 1 2 259.353 2.219 20 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2.100 20 30 CEEDLO C=CCN1CCN(C[N@H+]2CCC[C@H]2c2ccccn2)C1=O ZINC000839966254 631430235 /nfs/dbraw/zinc/43/02/35/631430235.db2.gz BDGPXCVFIAGCQY-HNNXBMFYSA-N 1 2 286.379 2.100 20 30 CEEDLO C[C@H](C#N)OCCOc1ccccc1-n1cc[nH+]c1 ZINC000802729800 631448639 /nfs/dbraw/zinc/44/86/39/631448639.db2.gz NZXCEPBYVJCEQV-GFCCVEGCSA-N 1 2 257.293 2.180 20 30 CEEDLO C[C@H](C#N)OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000802731387 631450154 /nfs/dbraw/zinc/45/01/54/631450154.db2.gz NOABICAZYAMEIP-MRVPVSSYSA-N 1 2 284.241 2.379 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(CC)c1 ZINC000804268894 631654479 /nfs/dbraw/zinc/65/44/79/631654479.db2.gz RLBLZZJAFFGMCE-HNNXBMFYSA-N 1 2 274.339 2.424 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(CC)c1 ZINC000804268894 631654483 /nfs/dbraw/zinc/65/44/83/631654483.db2.gz RLBLZZJAFFGMCE-HNNXBMFYSA-N 1 2 274.339 2.424 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C)C1CC1 ZINC000840039967 631664354 /nfs/dbraw/zinc/66/43/54/631664354.db2.gz BQGIFSYISBJLKD-GDBMZVCRSA-N 1 2 278.396 2.010 20 30 CEEDLO C=CC[N@H+](CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C)C1CC1 ZINC000840039967 631664358 /nfs/dbraw/zinc/66/43/58/631664358.db2.gz BQGIFSYISBJLKD-GDBMZVCRSA-N 1 2 278.396 2.010 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC000804452782 631684990 /nfs/dbraw/zinc/68/49/90/631684990.db2.gz NHZVDCSNIKKAKA-QGZVFWFLSA-N 1 2 295.386 2.414 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001007046794 631710010 /nfs/dbraw/zinc/71/00/10/631710010.db2.gz PMGWDHHLPQDZDN-IGQOVBAYSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001007046794 631710014 /nfs/dbraw/zinc/71/00/14/631710014.db2.gz PMGWDHHLPQDZDN-IGQOVBAYSA-N 1 2 282.815 2.366 20 30 CEEDLO CC(C)n1nccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897629545 631838328 /nfs/dbraw/zinc/83/83/28/631838328.db2.gz KZQNTCVKGZSDRO-UHFFFAOYSA-N 1 2 261.354 2.082 20 30 CEEDLO C=CCOc1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000809744830 632138204 /nfs/dbraw/zinc/13/82/04/632138204.db2.gz FPFVMOFFMIIDRQ-UHFFFAOYSA-N 1 2 259.309 2.233 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@H](C3CCC3)C2)c1=S ZINC000840188496 632155555 /nfs/dbraw/zinc/15/55/55/632155555.db2.gz OEYRVWGUOJEKFP-LBPRGKRZSA-N 1 2 291.424 2.097 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@H](C3CCC3)C2)c1=S ZINC000840188496 632155558 /nfs/dbraw/zinc/15/55/58/632155558.db2.gz OEYRVWGUOJEKFP-LBPRGKRZSA-N 1 2 291.424 2.097 20 30 CEEDLO N#Cc1csc(C[NH2+][C@@H](CCO)c2cccs2)n1 ZINC000810146507 632186672 /nfs/dbraw/zinc/18/66/72/632186672.db2.gz RTGFXBHKURVNCN-JTQLQIEISA-N 1 2 279.390 2.290 20 30 CEEDLO C[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc(C#N)c1O ZINC000866214218 632210460 /nfs/dbraw/zinc/21/04/60/632210460.db2.gz LRSLVWSCSUYKJM-NSHDSACASA-N 1 2 261.369 2.255 20 30 CEEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2ccccn2)C1 ZINC000810526768 632222019 /nfs/dbraw/zinc/22/20/19/632222019.db2.gz CXZVNFYRMKETAX-WBMJQRKESA-N 1 2 289.354 2.470 20 30 CEEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2ccccn2)C1 ZINC000810526768 632222022 /nfs/dbraw/zinc/22/20/22/632222022.db2.gz CXZVNFYRMKETAX-WBMJQRKESA-N 1 2 289.354 2.470 20 30 CEEDLO CC#CCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810652500 632251751 /nfs/dbraw/zinc/25/17/51/632251751.db2.gz DFAATVLNRUJVKR-UHFFFAOYSA-N 1 2 268.316 2.040 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)n1 ZINC000811500444 632391347 /nfs/dbraw/zinc/39/13/47/632391347.db2.gz CMQGXNQVQUFHCY-LLVKDONJSA-N 1 2 270.361 2.399 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccccn3)C2)n1 ZINC000811500444 632391352 /nfs/dbraw/zinc/39/13/52/632391352.db2.gz CMQGXNQVQUFHCY-LLVKDONJSA-N 1 2 270.361 2.399 20 30 CEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898506065 632521708 /nfs/dbraw/zinc/52/17/08/632521708.db2.gz AFYQHDOXDGPEED-CQSZACIVSA-N 1 2 268.376 2.283 20 30 CEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898506065 632521710 /nfs/dbraw/zinc/52/17/10/632521710.db2.gz AFYQHDOXDGPEED-CQSZACIVSA-N 1 2 268.376 2.283 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc(N2CCOCC2)cc1 ZINC000814171989 632797625 /nfs/dbraw/zinc/79/76/25/632797625.db2.gz ZQTRWPYKPWGCBN-UHFFFAOYSA-N 1 2 285.391 2.425 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(N2CCOCC2)cc1 ZINC000814171989 632797628 /nfs/dbraw/zinc/79/76/28/632797628.db2.gz ZQTRWPYKPWGCBN-UHFFFAOYSA-N 1 2 285.391 2.425 20 30 CEEDLO Cc1nnsc1C=NNc1cc[nH+]c2ccccc12 ZINC000814221647 632814209 /nfs/dbraw/zinc/81/42/09/632814209.db2.gz IFPQDBDOZGSVTB-UHFFFAOYSA-N 1 2 269.333 2.263 20 30 CEEDLO C(=[NH+]OCCC1CC1)c1cnc(N2CCOCC2)s1 ZINC000814246551 632818026 /nfs/dbraw/zinc/81/80/26/632818026.db2.gz RNWOQGVWBYNOLD-UHFFFAOYSA-N 1 2 281.381 2.130 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]OCc1ccccc1 ZINC000814791447 632896405 /nfs/dbraw/zinc/89/64/05/632896405.db2.gz HSVSTNJDAXNYPY-UHFFFAOYSA-N 1 2 268.320 2.316 20 30 CEEDLO Cc1cc(C#N)cc(C)c1C[S@@](=O)Cc1c[nH+]cn1C ZINC000905187744 635857063 /nfs/dbraw/zinc/85/70/63/635857063.db2.gz LIWNMANYOWWBIW-FQEVSTJZSA-N 1 2 287.388 2.358 20 30 CEEDLO CC(=[NH+]OC[C@H]1CCOC1)c1cc(N)ccc1F ZINC000814912528 632923850 /nfs/dbraw/zinc/92/38/50/632923850.db2.gz WFWMGBFHWJCTER-JTQLQIEISA-N 1 2 252.289 2.185 20 30 CEEDLO CSCCO[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814922075 632929005 /nfs/dbraw/zinc/92/90/05/632929005.db2.gz SEUMKRZOWLVUEM-UHFFFAOYSA-N 1 2 269.326 2.281 20 30 CEEDLO CC(=[NH+]NCCc1ccncc1)c1cc(N)ccc1F ZINC000814924498 632930002 /nfs/dbraw/zinc/93/00/02/632930002.db2.gz PBGXVIPHQFCDIO-UHFFFAOYSA-N 1 2 272.327 2.359 20 30 CEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC1(C#N)CC1 ZINC000815097433 632958946 /nfs/dbraw/zinc/95/89/46/632958946.db2.gz DEPQBZWCLLITOH-GFCCVEGCSA-N 1 2 274.368 2.108 20 30 CEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900294776 633646169 /nfs/dbraw/zinc/64/61/69/633646169.db2.gz MCFDOMKKJPMQQI-UHFFFAOYSA-N 1 2 285.347 2.176 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900904916 633884830 /nfs/dbraw/zinc/88/48/30/633884830.db2.gz NRONIRFCONOKFL-JKSUJKDBSA-N 1 2 294.358 2.251 20 30 CEEDLO Cn1nccc1N[NH+]=C1CCCNc2ccccc21 ZINC000901219813 633995556 /nfs/dbraw/zinc/99/55/56/633995556.db2.gz GYNQAYBFAGCBJJ-UHFFFAOYSA-N 1 2 255.325 2.442 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc2c1OCC2 ZINC000901620135 634203645 /nfs/dbraw/zinc/20/36/45/634203645.db2.gz BKCIYIJLTKGYBR-LBPRGKRZSA-N 1 2 255.321 2.155 20 30 CEEDLO C#CCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819884479 634275888 /nfs/dbraw/zinc/27/58/88/634275888.db2.gz NWWKRAZIJKNEOO-HNNXBMFYSA-N 1 2 281.359 2.461 20 30 CEEDLO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1cc(C#N)ccn1 ZINC000902993338 634922884 /nfs/dbraw/zinc/92/28/84/634922884.db2.gz RHHNPSPZTGGGLZ-LBPRGKRZSA-N 1 2 281.363 2.265 20 30 CEEDLO CSc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cc1C#N ZINC000903095009 634976045 /nfs/dbraw/zinc/97/60/45/634976045.db2.gz SCMSIICOSNTUIP-JTQLQIEISA-N 1 2 287.392 2.259 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000824289866 635397743 /nfs/dbraw/zinc/39/77/43/635397743.db2.gz CPALAJRKQHLWBL-NWDGAFQWSA-N 1 2 299.296 2.248 20 30 CEEDLO CC[N@H+](CC(=O)OC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824708880 635482343 /nfs/dbraw/zinc/48/23/43/635482343.db2.gz HMQYGTVMTKUCNO-UHFFFAOYSA-N 1 2 272.348 2.237 20 30 CEEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824708880 635482349 /nfs/dbraw/zinc/48/23/49/635482349.db2.gz HMQYGTVMTKUCNO-UHFFFAOYSA-N 1 2 272.348 2.237 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000824870465 635515847 /nfs/dbraw/zinc/51/58/47/635515847.db2.gz UNAZRASBQMGCKW-HUUCEWRRSA-N 1 2 273.380 2.342 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccc(F)cc1 ZINC000825955145 635738357 /nfs/dbraw/zinc/73/83/57/635738357.db2.gz GTYLIFIUKWHYDE-OAHLLOKOSA-N 1 2 269.323 2.433 20 30 CEEDLO C[NH+](C)Cc1csc(C/N=C/c2cccc(O)c2O)n1 ZINC000905000961 635772299 /nfs/dbraw/zinc/77/22/99/635772299.db2.gz BLQSVSDVKHRAGX-GIDUJCDVSA-N 1 2 291.376 2.235 20 30 CEEDLO C#CCC(C)(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826704467 635821575 /nfs/dbraw/zinc/82/15/75/635821575.db2.gz TZFOTRUZPODRPF-HNNXBMFYSA-N 1 2 270.376 2.339 20 30 CEEDLO C#CCC(C)(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826704467 635821577 /nfs/dbraw/zinc/82/15/77/635821577.db2.gz TZFOTRUZPODRPF-HNNXBMFYSA-N 1 2 270.376 2.339 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000826769224 635840697 /nfs/dbraw/zinc/84/06/97/635840697.db2.gz JJAAOEXDYPIVNI-GFCCVEGCSA-N 1 2 270.336 2.333 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000826769224 635840700 /nfs/dbraw/zinc/84/07/00/635840700.db2.gz JJAAOEXDYPIVNI-GFCCVEGCSA-N 1 2 270.336 2.333 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1 ZINC000826769224 635840705 /nfs/dbraw/zinc/84/07/05/635840705.db2.gz JJAAOEXDYPIVNI-GFCCVEGCSA-N 1 2 270.336 2.333 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1 ZINC000826769224 635840713 /nfs/dbraw/zinc/84/07/13/635840713.db2.gz JJAAOEXDYPIVNI-GFCCVEGCSA-N 1 2 270.336 2.333 20 30 CEEDLO C(=NNCCCn1cc[nH+]c1)c1nccc2c1CCCC2 ZINC000905485684 636306084 /nfs/dbraw/zinc/30/60/84/636306084.db2.gz XNXCAMVQNMGJPH-UHFFFAOYSA-N 1 2 283.379 2.171 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1cccc(F)c1)C(=O)OC ZINC000905747695 636409605 /nfs/dbraw/zinc/40/96/05/636409605.db2.gz QZTQDKJJBGKOEO-ZDUSSCGKSA-N 1 2 251.301 2.076 20 30 CEEDLO C=CC1CC[NH+]([C@@H](C)c2nc(N)nc(Cl)n2)CC1 ZINC000827793707 636424206 /nfs/dbraw/zinc/42/42/06/636424206.db2.gz CSAOATZSJMHSIV-QMMMGPOBSA-N 1 2 267.764 2.066 20 30 CEEDLO C=CC[C@H]([NH2+]CCCc1ncccc1C)C(=O)OC ZINC000905772255 636458270 /nfs/dbraw/zinc/45/82/70/636458270.db2.gz XQORNZBFJJVKPW-AWEZNQCLSA-N 1 2 262.353 2.030 20 30 CEEDLO C#CC[N@@H+](CC#CC)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827939874 636465272 /nfs/dbraw/zinc/46/52/72/636465272.db2.gz CWWJWXKUXGYJHT-INIZCTEOSA-N 1 2 288.391 2.098 20 30 CEEDLO C#CC[N@H+](CC#CC)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827939874 636465277 /nfs/dbraw/zinc/46/52/77/636465277.db2.gz CWWJWXKUXGYJHT-INIZCTEOSA-N 1 2 288.391 2.098 20 30 CEEDLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc(C)c1C#N ZINC000906199934 636646796 /nfs/dbraw/zinc/64/67/96/636646796.db2.gz SAPKQMWSGPRWCW-ZDUSSCGKSA-N 1 2 282.347 2.190 20 30 CEEDLO N#Cc1sccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000906405459 636725154 /nfs/dbraw/zinc/72/51/54/636725154.db2.gz UHKMDHBYNNORPR-UHFFFAOYSA-N 1 2 297.383 2.365 20 30 CEEDLO N#C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC2CCC1CC2 ZINC000907525214 637040580 /nfs/dbraw/zinc/04/05/80/637040580.db2.gz HRPVKHGJIGBJQN-TXBNBULBSA-N 1 2 298.390 2.034 20 30 CEEDLO C=CCN(C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907519208 637046559 /nfs/dbraw/zinc/04/65/59/637046559.db2.gz UJUVHNOMBDKGPR-UHFFFAOYSA-N 1 2 284.363 2.253 20 30 CEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000908664964 637451422 /nfs/dbraw/zinc/45/14/22/637451422.db2.gz HYICFMXBAPRPLT-YRGRVCCFSA-N 1 2 287.363 2.040 20 30 CEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000908664964 637451429 /nfs/dbraw/zinc/45/14/29/637451429.db2.gz HYICFMXBAPRPLT-YRGRVCCFSA-N 1 2 287.363 2.040 20 30 CEEDLO Cc1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1C#N ZINC000802783345 637718827 /nfs/dbraw/zinc/71/88/27/637718827.db2.gz OFXJPIBWDIRIPI-UHFFFAOYSA-N 1 2 283.331 2.390 20 30 CEEDLO Nc1ccc2c([nH+]1)CCCC2=NOCC(F)(F)F ZINC000834964542 637999800 /nfs/dbraw/zinc/99/98/00/637999800.db2.gz VNKMTKYPCZWRSS-UHFFFAOYSA-N 1 2 259.231 2.283 20 30 CEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccncn1 ZINC000835002961 638014326 /nfs/dbraw/zinc/01/43/26/638014326.db2.gz ZGTSCHMZDPXKFD-UHFFFAOYSA-N 1 2 267.336 2.280 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000912387866 638674413 /nfs/dbraw/zinc/67/44/13/638674413.db2.gz HFAIMSPOWWWBLU-CYBMUJFWSA-N 1 2 259.353 2.308 20 30 CEEDLO N#C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC2CCC1CC2 ZINC000912585115 638735842 /nfs/dbraw/zinc/73/58/42/638735842.db2.gz XELCVKIWVWBZDF-CULRUXPZSA-N 1 2 284.363 2.164 20 30 CEEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N(C)CCO)cc1 ZINC000876852198 650459190 /nfs/dbraw/zinc/45/91/90/650459190.db2.gz AOJVJJITBAPLMU-CYBMUJFWSA-N 1 2 261.369 2.467 20 30 CEEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)C#CC1CC1)c1ccccc1 ZINC000837444371 639230785 /nfs/dbraw/zinc/23/07/85/639230785.db2.gz WRZYGNVGBHSSNT-MRXNPFEDSA-N 1 2 293.370 2.234 20 30 CEEDLO CC(C)Cc1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000171988546 639739137 /nfs/dbraw/zinc/73/91/37/639739137.db2.gz HQRJKWVSTDPSDJ-UHFFFAOYSA-N 1 2 274.324 2.105 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC000994418564 640832063 /nfs/dbraw/zinc/83/20/63/640832063.db2.gz GLVBSQKIZJJQPD-ZJUUUORDSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC000994418564 640832066 /nfs/dbraw/zinc/83/20/66/640832066.db2.gz GLVBSQKIZJJQPD-ZJUUUORDSA-N 1 2 297.811 2.012 20 30 CEEDLO C[C@H](CC(=O)OCc1ccc(OCC#N)cc1)n1cc[nH+]c1 ZINC000845282240 640944088 /nfs/dbraw/zinc/94/40/88/640944088.db2.gz MSFCILCESLWLHX-CYBMUJFWSA-N 1 2 299.330 2.480 20 30 CEEDLO C[C@H](CC(=O)[C@@H](C#N)c1ccccn1)n1cc[nH+]c1 ZINC000845441583 640975922 /nfs/dbraw/zinc/97/59/22/640975922.db2.gz RHIVQASYAZCZTJ-NEPJUHHUSA-N 1 2 254.293 2.106 20 30 CEEDLO COc1cccc(C#CCOC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000845480306 640982565 /nfs/dbraw/zinc/98/25/65/640982565.db2.gz YOHVNSWALGVEFG-AWEZNQCLSA-N 1 2 298.342 2.438 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC000919938797 641097005 /nfs/dbraw/zinc/09/70/05/641097005.db2.gz TVCLKHRDWTTZNK-RYUDHWBXSA-N 1 2 281.429 2.463 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC000919938797 641097008 /nfs/dbraw/zinc/09/70/08/641097008.db2.gz TVCLKHRDWTTZNK-RYUDHWBXSA-N 1 2 281.429 2.463 20 30 CEEDLO C#CCOc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845956061 641137276 /nfs/dbraw/zinc/13/72/76/641137276.db2.gz FBMONTNPFMNQAL-ZDUSSCGKSA-N 1 2 283.331 2.485 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921150174 641230651 /nfs/dbraw/zinc/23/06/51/641230651.db2.gz LXCMDEFSJXGCDI-AWEZNQCLSA-N 1 2 299.374 2.470 20 30 CEEDLO N#Cc1cc(C[NH2+]Cc2nnc3n2CCCCC3)cs1 ZINC000921487887 641285895 /nfs/dbraw/zinc/28/58/95/641285895.db2.gz ADGGSHFSMJSTLM-UHFFFAOYSA-N 1 2 287.392 2.227 20 30 CEEDLO COC(=O)c1ccccc1CO[NH+]=C(N)c1ccccc1 ZINC000182867932 641700282 /nfs/dbraw/zinc/70/02/82/641700282.db2.gz VYUPVHUFUFUWJH-UHFFFAOYSA-N 1 2 284.315 2.310 20 30 CEEDLO FCC[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848417168 641986267 /nfs/dbraw/zinc/98/62/67/641986267.db2.gz NKSFHXWOSXKMPM-LBPRGKRZSA-N 1 2 252.337 2.379 20 30 CEEDLO CC1(C)C(=NNCCCn2cc[nH+]c2)[C@H]2CCCO[C@H]21 ZINC000848418562 641987176 /nfs/dbraw/zinc/98/71/76/641987176.db2.gz PVSRHNWWXDOZTF-TZMCWYRMSA-N 1 2 276.384 2.054 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)n1C)Cc1ccccc1 ZINC000877522868 650764583 /nfs/dbraw/zinc/76/45/83/650764583.db2.gz HYPBRDGTGFQALK-UHFFFAOYSA-N 1 2 296.370 2.447 20 30 CEEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)n1C)Cc1ccccc1 ZINC000877522868 650764587 /nfs/dbraw/zinc/76/45/87/650764587.db2.gz HYPBRDGTGFQALK-UHFFFAOYSA-N 1 2 296.370 2.447 20 30 CEEDLO COc1cc(C(=O)OCCCc2[nH+]ccn2C)ccc1C#N ZINC000850970328 642858792 /nfs/dbraw/zinc/85/87/92/642858792.db2.gz YIIWXWBXRUYQMX-UHFFFAOYSA-N 1 2 299.330 2.090 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000877583285 650800683 /nfs/dbraw/zinc/80/06/83/650800683.db2.gz NZQNVUMMIKFQCY-TUUVXOQKSA-N 1 2 271.360 2.333 20 30 CEEDLO C#CCOCC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000851829046 643183757 /nfs/dbraw/zinc/18/37/57/643183757.db2.gz VOMJTYLWGOWGSJ-UHFFFAOYSA-N 1 2 277.368 2.167 20 30 CEEDLO N#C[C@]1(C(=O)OCc2ccc(N)[nH+]c2)CC12CCCC2 ZINC000922770105 643255039 /nfs/dbraw/zinc/25/50/39/643255039.db2.gz CBWTUBVDZPZIAV-HNNXBMFYSA-N 1 2 271.320 2.181 20 30 CEEDLO CC1(C)C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004415684 643282565 /nfs/dbraw/zinc/28/25/65/643282565.db2.gz UVSOZHPOLHQPQB-GJZGRUSLSA-N 1 2 289.423 2.259 20 30 CEEDLO CC1(C)C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004415684 643282574 /nfs/dbraw/zinc/28/25/74/643282574.db2.gz UVSOZHPOLHQPQB-GJZGRUSLSA-N 1 2 289.423 2.259 20 30 CEEDLO FC(F)(F)c1ccc(N=NCc2c[nH+]c3n2CCC3)nn1 ZINC000853325877 643741992 /nfs/dbraw/zinc/74/19/92/643741992.db2.gz ZTQZEDFFRQDAEU-UHFFFAOYSA-N 1 2 296.256 2.084 20 30 CEEDLO C#Cc1cccnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000853550652 643811738 /nfs/dbraw/zinc/81/17/38/643811738.db2.gz LLNXUKRERDDUGC-OAHLLOKOSA-N 1 2 265.316 2.116 20 30 CEEDLO Cc1nc(C)c(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000853679936 643861232 /nfs/dbraw/zinc/86/12/32/643861232.db2.gz QKHPHVZMZJWNIO-UHFFFAOYSA-N 1 2 287.319 2.063 20 30 CEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCCC)C(=O)OC ZINC000839168279 644177722 /nfs/dbraw/zinc/17/77/22/644177722.db2.gz JGLSKYDFVGJBIN-IHRRRGAJSA-N 1 2 251.370 2.500 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C(=O)OC ZINC000839169993 644179619 /nfs/dbraw/zinc/17/96/19/644179619.db2.gz VIQORIWZNPZFLM-IMJJTQAJSA-N 1 2 286.375 2.262 20 30 CEEDLO CCC#C[C@@H](C)[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000753861956 644287535 /nfs/dbraw/zinc/28/75/35/644287535.db2.gz JFLKDXAPSXPJAF-OCCSQVGLSA-N 1 2 289.375 2.355 20 30 CEEDLO CCC#C[C@@H](C)[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000753861956 644287542 /nfs/dbraw/zinc/28/75/42/644287542.db2.gz JFLKDXAPSXPJAF-OCCSQVGLSA-N 1 2 289.375 2.355 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1CCCC1=O ZINC000113241719 644306116 /nfs/dbraw/zinc/30/61/16/644306116.db2.gz XIZPCULCDIZRBA-UHFFFAOYSA-N 1 2 274.364 2.263 20 30 CEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1CCCC1=O ZINC000113241719 644306120 /nfs/dbraw/zinc/30/61/20/644306120.db2.gz XIZPCULCDIZRBA-UHFFFAOYSA-N 1 2 274.364 2.263 20 30 CEEDLO CC(C)(O)CCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000754275709 644351464 /nfs/dbraw/zinc/35/14/64/644351464.db2.gz GTQHXHLNKMZDHJ-UHFFFAOYSA-N 1 2 256.733 2.138 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000754371524 644363182 /nfs/dbraw/zinc/36/31/82/644363182.db2.gz LJNYSMJGYMDGCD-LRDDRELGSA-N 1 2 269.348 2.216 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000754371524 644363186 /nfs/dbraw/zinc/36/31/86/644363186.db2.gz LJNYSMJGYMDGCD-LRDDRELGSA-N 1 2 269.348 2.216 20 30 CEEDLO CC(=[NH+]N[C@@H](C)CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000754705946 644418019 /nfs/dbraw/zinc/41/80/19/644418019.db2.gz XACANZDNNJFOJB-LURJTMIESA-N 1 2 276.167 2.270 20 30 CEEDLO Cn1c[nH+]cc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000755487377 644523233 /nfs/dbraw/zinc/52/32/33/644523233.db2.gz BXBDMTSEINDOCL-UHFFFAOYSA-N 1 2 269.230 2.280 20 30 CEEDLO Oc1ccc(C=NNc2cc[nH+]c3ccccc23)nc1 ZINC000755699812 644547576 /nfs/dbraw/zinc/54/75/76/644547576.db2.gz KAZIGBMFAGKZLQ-UHFFFAOYSA-N 1 2 264.288 2.203 20 30 CEEDLO Cc1nn(C)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000755701781 644547738 /nfs/dbraw/zinc/54/77/38/644547738.db2.gz SNHOYEVKRPFUJZ-UHFFFAOYSA-N 1 2 265.320 2.145 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC(CC)(CC)C2)c1=S ZINC000755932939 644584298 /nfs/dbraw/zinc/58/42/98/644584298.db2.gz SPZUGJOFWHRERW-UHFFFAOYSA-N 1 2 281.429 2.465 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC(CC)(CC)C2)c1=S ZINC000755932939 644584300 /nfs/dbraw/zinc/58/43/00/644584300.db2.gz SPZUGJOFWHRERW-UHFFFAOYSA-N 1 2 281.429 2.465 20 30 CEEDLO COCC#CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000757658484 644832662 /nfs/dbraw/zinc/83/26/62/644832662.db2.gz XTWVMAPGIYGSRF-VYDXJSESSA-N 1 2 273.376 2.487 20 30 CEEDLO COCC#CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000757658484 644832665 /nfs/dbraw/zinc/83/26/65/644832665.db2.gz XTWVMAPGIYGSRF-VYDXJSESSA-N 1 2 273.376 2.487 20 30 CEEDLO C#CCCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000758879878 644965614 /nfs/dbraw/zinc/96/56/14/644965614.db2.gz JCXMUNJJIFAEQM-AWEZNQCLSA-N 1 2 274.368 2.033 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000877993458 650969857 /nfs/dbraw/zinc/96/98/57/650969857.db2.gz NAZIZNAVXNHDAC-OAHLLOKOSA-N 1 2 293.363 2.253 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000877993458 650969858 /nfs/dbraw/zinc/96/98/58/650969858.db2.gz NAZIZNAVXNHDAC-OAHLLOKOSA-N 1 2 293.363 2.253 20 30 CEEDLO Cc1ccc(O[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000858031630 645050246 /nfs/dbraw/zinc/05/02/46/645050246.db2.gz GUBWRHKVWNXQKC-GJZGRUSLSA-N 1 2 284.363 2.287 20 30 CEEDLO Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000858031630 645050253 /nfs/dbraw/zinc/05/02/53/645050253.db2.gz GUBWRHKVWNXQKC-GJZGRUSLSA-N 1 2 284.363 2.287 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000858857473 645272761 /nfs/dbraw/zinc/27/27/61/645272761.db2.gz ODIVKRXVLRHKLA-NSHDSACASA-N 1 2 258.325 2.107 20 30 CEEDLO COc1ccc2c(c1)C(=O)/C(=C\c1[nH]cc[nH+]1)CCO2 ZINC000763102638 645504937 /nfs/dbraw/zinc/50/49/37/645504937.db2.gz ZCGWBTQYWPDIRN-NTMALXAHSA-N 1 2 270.288 2.467 20 30 CEEDLO COc1ccc2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)CCO2 ZINC000763102636 645505105 /nfs/dbraw/zinc/50/51/05/645505105.db2.gz ZCGWBTQYWPDIRN-CSKARUKUSA-N 1 2 270.288 2.467 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878167327 651023240 /nfs/dbraw/zinc/02/32/40/651023240.db2.gz SICXPESTXMZMFL-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878167327 651023243 /nfs/dbraw/zinc/02/32/43/651023243.db2.gz SICXPESTXMZMFL-UHFFFAOYSA-N 1 2 286.291 2.100 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cccc2nsnc21 ZINC000766083369 645844869 /nfs/dbraw/zinc/84/48/69/645844869.db2.gz HWJWDZCIETZHEF-UHFFFAOYSA-N 1 2 276.365 2.053 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cccc2nsnc21 ZINC000766083369 645844878 /nfs/dbraw/zinc/84/48/78/645844878.db2.gz HWJWDZCIETZHEF-UHFFFAOYSA-N 1 2 276.365 2.053 20 30 CEEDLO CN(C)c1cc(COC(=O)C#Cc2ccccc2)cc[nH+]1 ZINC000767447852 645993535 /nfs/dbraw/zinc/99/35/35/645993535.db2.gz CTPAHJFXNYYHRZ-UHFFFAOYSA-N 1 2 280.327 2.243 20 30 CEEDLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)nn1CCC#N ZINC000768049243 646075873 /nfs/dbraw/zinc/07/58/73/646075873.db2.gz LARVWONMQFXABK-UHFFFAOYSA-N 1 2 294.318 2.005 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000862565622 646503951 /nfs/dbraw/zinc/50/39/51/646503951.db2.gz UCNLBCDKEWGEPR-AWEZNQCLSA-N 1 2 281.359 2.057 20 30 CEEDLO N#Cc1ccccc1/C=C\C(=O)OCCn1cc[nH+]c1 ZINC000771898096 646567019 /nfs/dbraw/zinc/56/70/19/646567019.db2.gz LZRZQPYXHDVFKZ-WAYWQWQTSA-N 1 2 267.288 2.011 20 30 CEEDLO Cc1cccc(N[NH+]=Cc2ccc(N(C)CCO)cc2)n1 ZINC000863161436 646659464 /nfs/dbraw/zinc/65/94/64/646659464.db2.gz DPCSVGVWWZDRAK-UHFFFAOYSA-N 1 2 284.363 2.265 20 30 CEEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000773428405 646737680 /nfs/dbraw/zinc/73/76/80/646737680.db2.gz KJGGMYSMZKUKDA-UONOGXRCSA-N 1 2 265.353 2.370 20 30 CEEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000773428405 646737682 /nfs/dbraw/zinc/73/76/82/646737682.db2.gz KJGGMYSMZKUKDA-UONOGXRCSA-N 1 2 265.353 2.370 20 30 CEEDLO C=C(CC)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000773525164 646752323 /nfs/dbraw/zinc/75/23/23/646752323.db2.gz ZETJZJRFNMJPQX-INIZCTEOSA-N 1 2 289.375 2.397 20 30 CEEDLO C=C(CC)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000773525164 646752327 /nfs/dbraw/zinc/75/23/27/646752327.db2.gz ZETJZJRFNMJPQX-INIZCTEOSA-N 1 2 289.375 2.397 20 30 CEEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000773597205 646761388 /nfs/dbraw/zinc/76/13/88/646761388.db2.gz GRSPXAYPRQCMPO-OJXHRBAXSA-N 1 2 297.402 2.049 20 30 CEEDLO C=CCCc1noc([C@@H]([NH3+])c2cccc(OC)c2)n1 ZINC000863675149 646788480 /nfs/dbraw/zinc/78/84/80/646788480.db2.gz PPAAPSMTFYLHNY-ZDUSSCGKSA-N 1 2 259.309 2.245 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000775795847 646993875 /nfs/dbraw/zinc/99/38/75/646993875.db2.gz PTVGBLNLUXQUFV-UONOGXRCSA-N 1 2 299.399 2.476 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@@H]1CCCO1 ZINC000775797518 646994581 /nfs/dbraw/zinc/99/45/81/646994581.db2.gz DQISCDYTWSFTAA-KGLIPLIRSA-N 1 2 291.420 2.012 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C)s1)[C@H]1CCCO1 ZINC000775800082 646994746 /nfs/dbraw/zinc/99/47/46/646994746.db2.gz QRNPPERMEMTJFW-VXGBXAGGSA-N 1 2 250.367 2.030 20 30 CEEDLO CC(C)(C)[C@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000776991242 647102335 /nfs/dbraw/zinc/10/23/35/647102335.db2.gz WRFCEVKSUQOZME-NSHDSACASA-N 1 2 256.309 2.002 20 30 CEEDLO Cc1ccc(-c2ncc(C=NNC3=[NH+]C[C@H](C)N3)s2)cc1 ZINC000779799417 647356170 /nfs/dbraw/zinc/35/61/70/647356170.db2.gz SSVJMBZOZMAWHT-NSHDSACASA-N 1 2 299.403 2.390 20 30 CEEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(Oc3ccccc3)o2)N1 ZINC000779799592 647356368 /nfs/dbraw/zinc/35/63/68/647356368.db2.gz KKNJYKWAGHYTSF-NSHDSACASA-N 1 2 284.319 2.343 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000780449798 647430037 /nfs/dbraw/zinc/43/00/37/647430037.db2.gz KRDUBZPUJWMMNG-OAHLLOKOSA-N 1 2 250.386 2.491 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000780449798 647430041 /nfs/dbraw/zinc/43/00/41/647430041.db2.gz KRDUBZPUJWMMNG-OAHLLOKOSA-N 1 2 250.386 2.491 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)nc1 ZINC000780556735 647444440 /nfs/dbraw/zinc/44/44/40/647444440.db2.gz QFXXSYLQYJWGCM-UHFFFAOYSA-N 1 2 270.361 2.188 20 30 CEEDLO CC1(C#N)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000780778603 647468940 /nfs/dbraw/zinc/46/89/40/647468940.db2.gz BREIANZFGZRXHF-UHFFFAOYSA-N 1 2 268.320 2.100 20 30 CEEDLO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866240561 647688042 /nfs/dbraw/zinc/68/80/42/647688042.db2.gz IUCJLIMTHCZMPJ-AAEUAGOBSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866272041 647709574 /nfs/dbraw/zinc/70/95/74/647709574.db2.gz ISMPEZUPBVIQOI-SCRDCRAPSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(C#N)c1O ZINC000866273552 647711137 /nfs/dbraw/zinc/71/11/37/647711137.db2.gz OTRKPPSONYLKQF-GVXVVHGQSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(C#N)c1O ZINC000866338097 647742657 /nfs/dbraw/zinc/74/26/57/647742657.db2.gz OCTGSSOWUJEPSK-NSHDSACASA-N 1 2 297.362 2.042 20 30 CEEDLO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(C#N)c1O ZINC000866344466 647746571 /nfs/dbraw/zinc/74/65/71/647746571.db2.gz VEVZWJYBAAOVFK-GFCCVEGCSA-N 1 2 273.380 2.399 20 30 CEEDLO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(C#N)c1O ZINC000866344467 647746793 /nfs/dbraw/zinc/74/67/93/647746793.db2.gz VEVZWJYBAAOVFK-LBPRGKRZSA-N 1 2 273.380 2.399 20 30 CEEDLO C[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C#N)c1O ZINC000866386043 647767801 /nfs/dbraw/zinc/76/78/01/647767801.db2.gz WJSJNLRTDBWOMP-IINYFYTJSA-N 1 2 260.337 2.075 20 30 CEEDLO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866397459 647773000 /nfs/dbraw/zinc/77/30/00/647773000.db2.gz GYBCWGRRKLKUAJ-GMXVVIOVSA-N 1 2 260.337 2.339 20 30 CEEDLO C#C[C@H](CCC)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000867760847 647960988 /nfs/dbraw/zinc/96/09/88/647960988.db2.gz IEVCRGCXQMYYHC-OAHLLOKOSA-N 1 2 281.359 2.333 20 30 CEEDLO C=CCC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCCC1 ZINC000868741623 648247404 /nfs/dbraw/zinc/24/74/04/648247404.db2.gz MKFNFSCXQICQKQ-SREVYHEPSA-N 1 2 292.423 2.270 20 30 CEEDLO CCCNC(=S)N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790151163 648386999 /nfs/dbraw/zinc/38/69/99/648386999.db2.gz FKAYNDYIPPQIQC-UHFFFAOYSA-N 1 2 293.440 2.134 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc2cnccc2c1 ZINC000790299536 648402710 /nfs/dbraw/zinc/40/27/10/648402710.db2.gz DZNQVIMKMQCMJD-UHFFFAOYSA-N 1 2 251.293 2.414 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)cc2c1OCC2 ZINC000790299610 648402883 /nfs/dbraw/zinc/40/28/83/648402883.db2.gz GAXFDHQBVFIKGK-UHFFFAOYSA-N 1 2 276.727 2.454 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000792301154 648637418 /nfs/dbraw/zinc/63/74/18/648637418.db2.gz BKQQPGWNKVZQFO-UHFFFAOYSA-N 1 2 284.403 2.180 20 30 CEEDLO C#CC[N@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000792301154 648637422 /nfs/dbraw/zinc/63/74/22/648637422.db2.gz BKQQPGWNKVZQFO-UHFFFAOYSA-N 1 2 284.403 2.180 20 30 CEEDLO C=CCOc1ccccc1C(=O)OCCc1c[nH+]cn1C ZINC000793256698 648731719 /nfs/dbraw/zinc/73/17/19/648731719.db2.gz BZMHIRHBTIGXST-UHFFFAOYSA-N 1 2 286.331 2.384 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000793787946 648797346 /nfs/dbraw/zinc/79/73/46/648797346.db2.gz DWWKMQSAGMXLOQ-GFCCVEGCSA-N 1 2 298.346 2.282 20 30 CEEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000794716272 648906357 /nfs/dbraw/zinc/90/63/57/648906357.db2.gz QVAUYUWNKSBNOI-ONEGZZNKSA-N 1 2 255.233 2.153 20 30 CEEDLO CCCC[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(=O)OC ZINC000871928757 649218464 /nfs/dbraw/zinc/21/84/64/649218464.db2.gz KOGHHCBKSIBBJW-HZPDHXFCSA-N 1 2 286.375 2.347 20 30 CEEDLO Cc1nonc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000872137661 649289296 /nfs/dbraw/zinc/28/92/96/649289296.db2.gz VCXDUUNBBSZXLR-CYBMUJFWSA-N 1 2 254.293 2.027 20 30 CEEDLO COc1c(C)c[nH+]c(CN=Nc2ccc(C)nn2)c1C ZINC000872350107 649362633 /nfs/dbraw/zinc/36/26/33/649362633.db2.gz LMZNJKRQCRLKIS-UHFFFAOYSA-N 1 2 271.324 2.251 20 30 CEEDLO Cc1cc(NN=Cc2cnc(CC(C)C)s2)nc(N)[nH+]1 ZINC000872420659 649386734 /nfs/dbraw/zinc/38/67/34/649386734.db2.gz KOOGZVYCXQKAOB-UHFFFAOYSA-N 1 2 290.396 2.468 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H]2CCCCN2C1=O ZINC000872561934 649422500 /nfs/dbraw/zinc/42/25/00/649422500.db2.gz IZEOHKQLSVWZNJ-INIZCTEOSA-N 1 2 298.390 2.238 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H]2CCCCN2C1=O ZINC000872561934 649422502 /nfs/dbraw/zinc/42/25/02/649422502.db2.gz IZEOHKQLSVWZNJ-INIZCTEOSA-N 1 2 298.390 2.238 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H]2CCCCN2C1=O ZINC000872561574 649422606 /nfs/dbraw/zinc/42/26/06/649422606.db2.gz GUSBGDGUAKSVIU-INIZCTEOSA-N 1 2 298.390 2.238 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H]2CCCCN2C1=O ZINC000872561574 649422608 /nfs/dbraw/zinc/42/26/08/649422608.db2.gz GUSBGDGUAKSVIU-INIZCTEOSA-N 1 2 298.390 2.238 20 30 CEEDLO Cc1nc(NC(=O)C[NH+]2CCCC2)sc1SCC#N ZINC000874267086 649759913 /nfs/dbraw/zinc/75/99/13/649759913.db2.gz WNFIXKASLOVFAJ-UHFFFAOYSA-N 1 2 296.421 2.102 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@H]2CC)CCCC1 ZINC000874710588 649812036 /nfs/dbraw/zinc/81/20/36/649812036.db2.gz KMBBTOSYHHVKRI-OAHLLOKOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)CCCC1 ZINC000874710588 649812037 /nfs/dbraw/zinc/81/20/37/649812037.db2.gz KMBBTOSYHHVKRI-OAHLLOKOSA-N 1 2 294.439 2.350 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2ncncc2C1 ZINC000880597487 651468451 /nfs/dbraw/zinc/46/84/51/651468451.db2.gz XLSBBPYRUSCZGT-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2ncncc2C1 ZINC000880597487 651468453 /nfs/dbraw/zinc/46/84/53/651468453.db2.gz XLSBBPYRUSCZGT-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO N#CC1(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882872166 652242721 /nfs/dbraw/zinc/24/27/21/652242721.db2.gz YCUHWVPXLDOECG-OAHLLOKOSA-N 1 2 294.358 2.434 20 30 CEEDLO C#C[C@H](CC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883700940 652536600 /nfs/dbraw/zinc/53/66/00/652536600.db2.gz AGOLVSOUMOPIGK-CVEARBPZSA-N 1 2 296.374 2.335 20 30 CEEDLO NC(CCO)=[NH+]OCc1ccc(Cl)c(Cl)c1 ZINC000136068252 653039742 /nfs/dbraw/zinc/03/97/42/653039742.db2.gz NQGABOSUNSVATB-UHFFFAOYSA-N 1 2 263.124 2.165 20 30 CEEDLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029177743 805575405 /nfs/dbraw/zinc/57/54/05/805575405.db2.gz BAKNOQJHGDMHGP-IYBDPMFKSA-N 1 2 283.375 2.143 20 30 CEEDLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029177743 805575408 /nfs/dbraw/zinc/57/54/08/805575408.db2.gz BAKNOQJHGDMHGP-IYBDPMFKSA-N 1 2 283.375 2.143 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001042586261 806110242 /nfs/dbraw/zinc/11/02/42/806110242.db2.gz NOWOSZAGBDBTLZ-UHFFFAOYSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCOC[C@H]1OC ZINC001168191111 806392806 /nfs/dbraw/zinc/39/28/06/806392806.db2.gz XDICGDKJUPMFKU-ZIAGYGMSSA-N 1 2 262.353 2.334 20 30 CEEDLO C=C1CC(C)(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001098253266 806971499 /nfs/dbraw/zinc/97/14/99/806971499.db2.gz ZSPHQHAFRGFTKO-NSHDSACASA-N 1 2 274.368 2.058 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001039005732 802319935 /nfs/dbraw/zinc/31/99/35/802319935.db2.gz MPQAELDSVLNVJR-QGZVFWFLSA-N 1 2 284.403 2.322 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC(C)C)cc1 ZINC001039005732 802319943 /nfs/dbraw/zinc/31/99/43/802319943.db2.gz MPQAELDSVLNVJR-QGZVFWFLSA-N 1 2 284.403 2.322 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2cccc3c2OCC3)n1 ZINC000692950042 802365541 /nfs/dbraw/zinc/36/55/41/802365541.db2.gz BPJAWSWXXGCDMU-UHFFFAOYSA-N 1 2 271.345 2.239 20 30 CEEDLO C#Cc1cncc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1 ZINC001266516376 802665682 /nfs/dbraw/zinc/66/56/82/802665682.db2.gz YFSHGGWFZZEQIG-UHFFFAOYSA-N 1 2 280.331 2.085 20 30 CEEDLO C=CCc1cc(C)c[nH+]c1N[C@](C)(C(N)=O)C(C)C ZINC001167407685 802777459 /nfs/dbraw/zinc/77/74/59/802777459.db2.gz QWHHFFDWAKJLMK-HNNXBMFYSA-N 1 2 261.369 2.430 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC3CC3)CC2)C1 ZINC001093496740 814935647 /nfs/dbraw/zinc/93/56/47/814935647.db2.gz KMHCQYATDNYWIS-UHFFFAOYSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001266961716 803022757 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C#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC3)CC2)cc1 ZINC001144576578 814120416 /nfs/dbraw/zinc/12/04/16/814120416.db2.gz NOHDORYFFVQIBI-UHFFFAOYSA-N 1 2 282.387 2.112 20 30 CEEDLO C=CC(C)(C)CC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100626927 814160521 /nfs/dbraw/zinc/16/05/21/814160521.db2.gz XFDOGAYDVOKJAR-UHFFFAOYSA-N 1 2 290.411 2.330 20 30 CEEDLO C=CCCC(=O)NCC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102289261 814376063 /nfs/dbraw/zinc/37/60/63/814376063.db2.gz HXEBDMSFKSZKSF-CQSZACIVSA-N 1 2 288.395 2.084 20 30 CEEDLO C=C1CC(C)(C(=O)NC[C@H](CC)Nc2cc[nH+]c(C)n2)C1 ZINC001103304220 814486989 /nfs/dbraw/zinc/48/69/89/814486989.db2.gz MBSAEMUSUSFABY-ZDUSSCGKSA-N 1 2 288.395 2.448 20 30 CEEDLO COCC[N@H+](CCC#N)C[C@@H]1CCCC(C)(C)O1 ZINC000714362536 814898328 /nfs/dbraw/zinc/89/83/28/814898328.db2.gz MPGXBCLNELACSO-ZDUSSCGKSA-N 1 2 254.374 2.196 20 30 CEEDLO COCC[N@@H+](CCC#N)C[C@@H]1CCCC(C)(C)O1 ZINC000714362536 814898332 /nfs/dbraw/zinc/89/83/32/814898332.db2.gz MPGXBCLNELACSO-ZDUSSCGKSA-N 1 2 254.374 2.196 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ZINC000084409294 344085008 /nfs/dbraw/zinc/08/50/08/344085008.db2.gz QHEQUJCHEOVYHZ-UHFFFAOYSA-N 1 2 282.347 2.307 20 30 CEEDLO COC(=O)c1[nH]c(C[N@H+](CCC#N)C(C)C)cc1C ZINC000602446410 347036439 /nfs/dbraw/zinc/03/64/39/347036439.db2.gz BPYPPUHALDUNAV-UHFFFAOYSA-N 1 2 263.341 2.234 20 30 CEEDLO COC(=O)c1[nH]c(C[N@@H+](CCC#N)C(C)C)cc1C ZINC000602446410 347036441 /nfs/dbraw/zinc/03/64/41/347036441.db2.gz BPYPPUHALDUNAV-UHFFFAOYSA-N 1 2 263.341 2.234 20 30 CEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOCC34CCCC4)n2c1 ZINC000093840595 344230318 /nfs/dbraw/zinc/23/03/18/344230318.db2.gz QMCCWEIXRYRQHO-UHFFFAOYSA-N 1 2 296.374 2.351 20 30 CEEDLO N#Cc1ccc2ncc(C[N@H+]3CCOCC34CCCC4)n2c1 ZINC000093840595 344230320 /nfs/dbraw/zinc/23/03/20/344230320.db2.gz QMCCWEIXRYRQHO-UHFFFAOYSA-N 1 2 296.374 2.351 20 30 CEEDLO COC(=O)C1([N@H+](C)Cc2cccc(C#N)n2)CCCCC1 ZINC000602471109 347046804 /nfs/dbraw/zinc/04/68/04/347046804.db2.gz FJRHOQYFAWERRS-UHFFFAOYSA-N 1 2 287.363 2.261 20 30 CEEDLO COC(=O)C1([N@@H+](C)Cc2cccc(C#N)n2)CCCCC1 ZINC000602471109 347046805 /nfs/dbraw/zinc/04/68/05/347046805.db2.gz FJRHOQYFAWERRS-UHFFFAOYSA-N 1 2 287.363 2.261 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000157194116 344445232 /nfs/dbraw/zinc/44/52/32/344445232.db2.gz JBJOZCVJMVBYHM-LBPRGKRZSA-N 1 2 264.369 2.486 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000157194116 344445235 /nfs/dbraw/zinc/44/52/35/344445235.db2.gz JBJOZCVJMVBYHM-LBPRGKRZSA-N 1 2 264.369 2.486 20 30 CEEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000602477914 347052241 /nfs/dbraw/zinc/05/22/41/347052241.db2.gz MQXGUDWMKOWIFO-UWVGGRQHSA-N 1 2 250.264 2.189 20 30 CEEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000602477914 347052244 /nfs/dbraw/zinc/05/22/44/347052244.db2.gz MQXGUDWMKOWIFO-UWVGGRQHSA-N 1 2 250.264 2.189 20 30 CEEDLO N#Cc1ccc(C[N@@H+](CC(N)=O)C2CCCC2)c(Cl)c1 ZINC000162887651 344469551 /nfs/dbraw/zinc/46/95/51/344469551.db2.gz BPHHLNWLYXVZQU-UHFFFAOYSA-N 1 2 291.782 2.442 20 30 CEEDLO N#Cc1ccc(C[N@H+](CC(N)=O)C2CCCC2)c(Cl)c1 ZINC000162887651 344469553 /nfs/dbraw/zinc/46/95/53/344469553.db2.gz BPHHLNWLYXVZQU-UHFFFAOYSA-N 1 2 291.782 2.442 20 30 CEEDLO C[C@@H](CNC(=O)c1cccc(CC#N)c1)Cn1cc[nH+]c1 ZINC000172623625 344496574 /nfs/dbraw/zinc/49/65/74/344496574.db2.gz HJDAWIFPOVMCCG-ZDUSSCGKSA-N 1 2 282.347 2.015 20 30 CEEDLO CC(C)([NH2+]Cc1ccnc(C#N)c1)c1nccs1 ZINC000228060529 344558090 /nfs/dbraw/zinc/55/80/90/344558090.db2.gz LTZALMJEUUVPLZ-UHFFFAOYSA-N 1 2 258.350 2.435 20 30 CEEDLO N#Cc1cccc(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000281183561 344675375 /nfs/dbraw/zinc/67/53/75/344675375.db2.gz MBIOGLAXTGUHGQ-UHFFFAOYSA-N 1 2 280.331 2.019 20 30 CEEDLO N#Cc1cccc(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000281183561 344675379 /nfs/dbraw/zinc/67/53/79/344675379.db2.gz MBIOGLAXTGUHGQ-UHFFFAOYSA-N 1 2 280.331 2.019 20 30 CEEDLO C=CCN(CCOC)c1[nH+]c2cccc(F)c2n1C ZINC000336914241 344765743 /nfs/dbraw/zinc/76/57/43/344765743.db2.gz ALNIXZRTEMWEIR-UHFFFAOYSA-N 1 2 263.316 2.351 20 30 CEEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602567937 347081836 /nfs/dbraw/zinc/08/18/36/347081836.db2.gz KZGQZIGCFMLTPH-UHFFFAOYSA-N 1 2 287.392 2.392 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2n[nH]cc2Br)C1 ZINC000381646910 344824822 /nfs/dbraw/zinc/82/48/22/344824822.db2.gz QRROYOIEHZUQPC-RKDXNWHRSA-N 1 2 283.173 2.344 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000563162131 344940645 /nfs/dbraw/zinc/94/06/45/344940645.db2.gz HBWDHABGCRHDEN-TZMCWYRMSA-N 1 2 271.320 2.254 20 30 CEEDLO N#CCCCOc1cccc(C[NH2+]Cc2ncccn2)c1 ZINC000584732033 344982032 /nfs/dbraw/zinc/98/20/32/344982032.db2.gz LYIXJYZUQCXYRW-UHFFFAOYSA-N 1 2 282.347 2.449 20 30 CEEDLO N#CC1(N(C(=O)CCCn2cc[nH+]c2)C2CC2)CCC1 ZINC000585748600 345013558 /nfs/dbraw/zinc/01/35/58/345013558.db2.gz SVMOHVPMYHEIEP-UHFFFAOYSA-N 1 2 272.352 2.101 20 30 CEEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCSCC#N ZINC000586777600 345020159 /nfs/dbraw/zinc/02/01/59/345020159.db2.gz SCUUKHCPTXUTKL-UWVGGRQHSA-N 1 2 282.331 2.285 20 30 CEEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCSCC#N ZINC000586777600 345020161 /nfs/dbraw/zinc/02/01/61/345020161.db2.gz SCUUKHCPTXUTKL-UWVGGRQHSA-N 1 2 282.331 2.285 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)c3cccc(C#N)n3)cc2[nH+]1 ZINC000589266289 345074397 /nfs/dbraw/zinc/07/43/97/345074397.db2.gz GWCSNZVJHIVJQW-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000590132275 345116438 /nfs/dbraw/zinc/11/64/38/345116438.db2.gz OVCOKMWJJBPJSW-UHFFFAOYSA-N 1 2 289.404 2.086 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590138734 345116879 /nfs/dbraw/zinc/11/68/79/345116879.db2.gz LCQURAJLSRWKNR-HNNXBMFYSA-N 1 2 294.358 2.320 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000590767639 345177399 /nfs/dbraw/zinc/17/73/99/345177399.db2.gz NFCMKJNKKDNZQN-UHFFFAOYSA-N 1 2 281.319 2.047 20 30 CEEDLO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC000590421036 345135046 /nfs/dbraw/zinc/13/50/46/345135046.db2.gz UJLMICFUYWKPHP-NSHDSACASA-N 1 2 282.347 2.436 20 30 CEEDLO Cc1cc(C)c(NC(=O)N2CC[C@](F)(C#N)C2)c(C)[nH+]1 ZINC000590836301 345187920 /nfs/dbraw/zinc/18/79/20/345187920.db2.gz OREPBXVDYJNTKF-AWEZNQCLSA-N 1 2 276.315 2.476 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2c1CCCC2 ZINC000591241711 345233900 /nfs/dbraw/zinc/23/39/00/345233900.db2.gz HKWSIVKNPQWYEV-OAHLLOKOSA-N 1 2 288.391 2.151 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2c1CCCC2 ZINC000591241711 345233902 /nfs/dbraw/zinc/23/39/02/345233902.db2.gz HKWSIVKNPQWYEV-OAHLLOKOSA-N 1 2 288.391 2.151 20 30 CEEDLO CC(C)(C)C[N@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590952097 345203937 /nfs/dbraw/zinc/20/39/37/345203937.db2.gz OFGBEXXLEMVALN-UHFFFAOYSA-N 1 2 291.351 2.307 20 30 CEEDLO CC(C)(C)C[N@@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590952097 345203938 /nfs/dbraw/zinc/20/39/38/345203938.db2.gz OFGBEXXLEMVALN-UHFFFAOYSA-N 1 2 291.351 2.307 20 30 CEEDLO COc1ccc(OCC[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592058037 345317081 /nfs/dbraw/zinc/31/70/81/345317081.db2.gz LGRLLQLSJKJCKJ-UHFFFAOYSA-N 1 2 297.358 2.473 20 30 CEEDLO COc1ccc(OCC[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592058037 345317084 /nfs/dbraw/zinc/31/70/84/345317084.db2.gz LGRLLQLSJKJCKJ-UHFFFAOYSA-N 1 2 297.358 2.473 20 30 CEEDLO CCOC(=O)c1ccc(CNc2cc(C)[nH+]cc2C#N)o1 ZINC000591821000 345284477 /nfs/dbraw/zinc/28/44/77/345284477.db2.gz BKGHYGPPEBXXME-UHFFFAOYSA-N 1 2 285.303 2.065 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cccc(C#N)n1 ZINC000592262826 345341194 /nfs/dbraw/zinc/34/11/94/345341194.db2.gz DBLVWPHBBPJNSL-SNVBAGLBSA-N 1 2 284.323 2.052 20 30 CEEDLO CC[C@H](CC#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000592569712 345370382 /nfs/dbraw/zinc/37/03/82/345370382.db2.gz BQUCHYGKYBXNFL-CYBMUJFWSA-N 1 2 268.320 2.499 20 30 CEEDLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148641 345330135 /nfs/dbraw/zinc/33/01/35/345330135.db2.gz YJBJHXWSLIJCPE-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1ccc(Cl)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148641 345330137 /nfs/dbraw/zinc/33/01/37/345330137.db2.gz YJBJHXWSLIJCPE-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO CC(C)Oc1cc[nH+]c(CN(CCC#N)CCC#N)c1 ZINC000593020322 345424444 /nfs/dbraw/zinc/42/44/44/345424444.db2.gz WCYYYMMDGLKQFR-UHFFFAOYSA-N 1 2 272.352 2.498 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061618 345430641 /nfs/dbraw/zinc/43/06/41/345430641.db2.gz KKHRVCYGMKCZJQ-SMDDNHRTSA-N 1 2 289.335 2.466 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061618 345430643 /nfs/dbraw/zinc/43/06/43/345430643.db2.gz KKHRVCYGMKCZJQ-SMDDNHRTSA-N 1 2 289.335 2.466 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCc2ccccc21 ZINC000593154384 345448105 /nfs/dbraw/zinc/44/81/05/345448105.db2.gz JFVZSCLHJUPRIS-YOEHRIQHSA-N 1 2 285.391 2.067 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccccc1F ZINC000057594817 362588205 /nfs/dbraw/zinc/58/82/05/362588205.db2.gz PNBSJCKUIASKRH-LBPRGKRZSA-N 1 2 277.343 2.018 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccccc1F ZINC000057594817 362588206 /nfs/dbraw/zinc/58/82/06/362588206.db2.gz PNBSJCKUIASKRH-LBPRGKRZSA-N 1 2 277.343 2.018 20 30 CEEDLO CC[C@H](C#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000593420903 345481863 /nfs/dbraw/zinc/48/18/63/345481863.db2.gz TWTRIAGJEUGPIW-CQSZACIVSA-N 1 2 287.363 2.007 20 30 CEEDLO N#CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000593443542 345487633 /nfs/dbraw/zinc/48/76/33/345487633.db2.gz GDGRDWODXIBUNY-UHFFFAOYSA-N 1 2 286.379 2.105 20 30 CEEDLO CC[C@H](C#N)C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000593837407 345544333 /nfs/dbraw/zinc/54/43/33/345544333.db2.gz JUFMFRJWXWVFAM-HUUCEWRRSA-N 1 2 296.374 2.370 20 30 CEEDLO CC(C)(C#N)c1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000594520828 345643960 /nfs/dbraw/zinc/64/39/60/345643960.db2.gz NMACPTIQWNJCPT-UHFFFAOYSA-N 1 2 281.359 2.409 20 30 CEEDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)sc1C ZINC000057875811 362599418 /nfs/dbraw/zinc/59/94/18/362599418.db2.gz FTOFJKMIFZGKDI-SNVBAGLBSA-N 1 2 292.408 2.323 20 30 CEEDLO C=CCC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000594708626 345675853 /nfs/dbraw/zinc/67/58/53/345675853.db2.gz AJTUFHASAHXLFF-CYBMUJFWSA-N 1 2 251.301 2.076 20 30 CEEDLO N#CC1(C[NH2+][C@H](C(N)=O)c2ccccc2)CCCCC1 ZINC000594717729 345677858 /nfs/dbraw/zinc/67/78/58/345677858.db2.gz OXEDGCWZTFEMMU-AWEZNQCLSA-N 1 2 271.364 2.277 20 30 CEEDLO N#Cc1csc(C[NH2+][C@@H]2CCc3ccc(O)cc32)n1 ZINC000594982064 345721326 /nfs/dbraw/zinc/72/13/26/345721326.db2.gz YONMQTINBZZYDM-CYBMUJFWSA-N 1 2 271.345 2.497 20 30 CEEDLO CN(C)c1[nH+]cc(CNCC2(C#N)CCCCC2)n1C ZINC000594981005 345721535 /nfs/dbraw/zinc/72/15/35/345721535.db2.gz FGISBFLJTMLZDE-UHFFFAOYSA-N 1 2 275.400 2.050 20 30 CEEDLO Cc1nc(C#N)c(C#N)n1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000155310804 232232655 /nfs/dbraw/zinc/23/26/55/232232655.db2.gz CXXIBNJUBXZEQH-UHFFFAOYSA-N 1 2 296.721 2.284 20 30 CEEDLO CCn1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)nn1 ZINC000595066876 345738519 /nfs/dbraw/zinc/73/85/19/345738519.db2.gz CNVRFHQJIIZCQG-JTQLQIEISA-N 1 2 273.315 2.160 20 30 CEEDLO COC(=O)c1ccoc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609080 345825799 /nfs/dbraw/zinc/82/57/99/345825799.db2.gz FTQSLANPUIVMNB-LLVKDONJSA-N 1 2 262.309 2.192 20 30 CEEDLO COC(=O)c1ccoc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609080 345825800 /nfs/dbraw/zinc/82/58/00/345825800.db2.gz FTQSLANPUIVMNB-LLVKDONJSA-N 1 2 262.309 2.192 20 30 CEEDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595623929 345830820 /nfs/dbraw/zinc/83/08/20/345830820.db2.gz YZDRDTQCJATZRA-ZDUSSCGKSA-N 1 2 292.404 2.216 20 30 CEEDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595623929 345830823 /nfs/dbraw/zinc/83/08/23/345830823.db2.gz YZDRDTQCJATZRA-ZDUSSCGKSA-N 1 2 292.404 2.216 20 30 CEEDLO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623206 345831246 /nfs/dbraw/zinc/83/12/46/345831246.db2.gz JTEBYZZAVPSRKY-LBPRGKRZSA-N 1 2 261.373 2.159 20 30 CEEDLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623206 345831249 /nfs/dbraw/zinc/83/12/49/345831249.db2.gz JTEBYZZAVPSRKY-LBPRGKRZSA-N 1 2 261.373 2.159 20 30 CEEDLO Cc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)on1 ZINC000595629042 345832617 /nfs/dbraw/zinc/83/26/17/345832617.db2.gz AVIUQZYDNYKPTO-UHFFFAOYSA-N 1 2 288.376 2.238 20 30 CEEDLO Cc1nccc(C[NH+]2CCN(c3ccsc3C#N)CC2)n1 ZINC000595629839 345832678 /nfs/dbraw/zinc/83/26/78/345832678.db2.gz NLQBFESVVFTQJW-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C=CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)COC ZINC000595638219 345834143 /nfs/dbraw/zinc/83/41/43/345834143.db2.gz CWGDBWMGKRQVTJ-LLVKDONJSA-N 1 2 280.324 2.323 20 30 CEEDLO C=CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)COC ZINC000595638219 345834145 /nfs/dbraw/zinc/83/41/45/345834145.db2.gz CWGDBWMGKRQVTJ-LLVKDONJSA-N 1 2 280.324 2.323 20 30 CEEDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834020 345890192 /nfs/dbraw/zinc/89/01/92/345890192.db2.gz JKLHACBHDYKURY-WFASDCNBSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834020 345890195 /nfs/dbraw/zinc/89/01/95/345890195.db2.gz JKLHACBHDYKURY-WFASDCNBSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000595834088 345890669 /nfs/dbraw/zinc/89/06/69/345890669.db2.gz JNYSIMWRGRXXKZ-DOMZBBRYSA-N 1 2 294.782 2.315 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000595834088 345890673 /nfs/dbraw/zinc/89/06/73/345890673.db2.gz JNYSIMWRGRXXKZ-DOMZBBRYSA-N 1 2 294.782 2.315 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834323 345891597 /nfs/dbraw/zinc/89/15/97/345891597.db2.gz IUKUTDNDNBIGNF-OAHLLOKOSA-N 1 2 258.321 2.209 20 30 CEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834323 345891599 /nfs/dbraw/zinc/89/15/99/345891599.db2.gz IUKUTDNDNBIGNF-OAHLLOKOSA-N 1 2 258.321 2.209 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000595836062 345891917 /nfs/dbraw/zinc/89/19/17/345891917.db2.gz VHPZWRQTQGFPFE-HLLBOEOZSA-N 1 2 289.423 2.403 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000595836062 345891922 /nfs/dbraw/zinc/89/19/22/345891922.db2.gz VHPZWRQTQGFPFE-HLLBOEOZSA-N 1 2 289.423 2.403 20 30 CEEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835520 345892066 /nfs/dbraw/zinc/89/20/66/345892066.db2.gz SAXMLBLDFHKFIK-INIZCTEOSA-N 1 2 289.354 2.020 20 30 CEEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835520 345892070 /nfs/dbraw/zinc/89/20/70/345892070.db2.gz SAXMLBLDFHKFIK-INIZCTEOSA-N 1 2 289.354 2.020 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838647 345893662 /nfs/dbraw/zinc/89/36/62/345893662.db2.gz XJXLCZLOKVAHGY-IJEWVQPXSA-N 1 2 277.412 2.259 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838647 345893665 /nfs/dbraw/zinc/89/36/65/345893665.db2.gz XJXLCZLOKVAHGY-IJEWVQPXSA-N 1 2 277.412 2.259 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C#N ZINC000595818180 345885179 /nfs/dbraw/zinc/88/51/79/345885179.db2.gz SHIMBEPWRVRYHQ-NSHDSACASA-N 1 2 290.323 2.157 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C#N ZINC000595818180 345885181 /nfs/dbraw/zinc/88/51/81/345885181.db2.gz SHIMBEPWRVRYHQ-NSHDSACASA-N 1 2 290.323 2.157 20 30 CEEDLO C[C@H]1C[N@H+](CCCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889981 345907917 /nfs/dbraw/zinc/90/79/17/345907917.db2.gz KBDMNTQGGNPBMY-VHSXEESVSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H]1C[N@@H+](CCCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889981 345907919 /nfs/dbraw/zinc/90/79/19/345907919.db2.gz KBDMNTQGGNPBMY-VHSXEESVSA-N 1 2 250.264 2.332 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@](C)(C#N)C3)cn2c1 ZINC000596179391 345961132 /nfs/dbraw/zinc/96/11/32/345961132.db2.gz PEDVNIKNTYVMSV-INIZCTEOSA-N 1 2 297.362 2.088 20 30 CEEDLO C[C@H](CNc1nc(C#N)c(Cl)s1)Cn1cc[nH+]c1 ZINC000596080252 345935426 /nfs/dbraw/zinc/93/54/26/345935426.db2.gz DTCUPHRNOBOZSZ-MRVPVSSYSA-N 1 2 281.772 2.035 20 30 CEEDLO Cn1ncc(C#N)c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000596090823 345937643 /nfs/dbraw/zinc/93/76/43/345937643.db2.gz WRMMVTNDIMKXLO-UHFFFAOYSA-N 1 2 280.335 2.213 20 30 CEEDLO Cc1cc(N2CCC[C@](O)(C3CC3)C2)c(C#N)c[nH+]1 ZINC000596462530 346029435 /nfs/dbraw/zinc/02/94/35/346029435.db2.gz KYKVZGVAOJNEQN-OAHLLOKOSA-N 1 2 257.337 2.003 20 30 CEEDLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000596740176 346082840 /nfs/dbraw/zinc/08/28/40/346082840.db2.gz CZVHBORWFKUGKW-RISCZKNCSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000596740176 346082843 /nfs/dbraw/zinc/08/28/43/346082843.db2.gz CZVHBORWFKUGKW-RISCZKNCSA-N 1 2 294.358 2.264 20 30 CEEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596838803 346095325 /nfs/dbraw/zinc/09/53/25/346095325.db2.gz MYYCWPSZDJYSIG-JTQLQIEISA-N 1 2 299.334 2.183 20 30 CEEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccncc1 ZINC000596593751 346062080 /nfs/dbraw/zinc/06/20/80/346062080.db2.gz RMUHYIPBPMWWPB-OAHLLOKOSA-N 1 2 298.390 2.027 20 30 CEEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccncc1 ZINC000596593751 346062083 /nfs/dbraw/zinc/06/20/83/346062083.db2.gz RMUHYIPBPMWWPB-OAHLLOKOSA-N 1 2 298.390 2.027 20 30 CEEDLO Cc1cn2ccc(NC(=O)N3CC[C@@](C)(C#N)C3)cc2[nH+]1 ZINC000597128702 346131878 /nfs/dbraw/zinc/13/18/78/346131878.db2.gz CXDDFIKSRIUJHO-HNNXBMFYSA-N 1 2 283.335 2.410 20 30 CEEDLO C=CC[N@@H+](CC(=O)NCC(F)(F)F)Cc1cccs1 ZINC000060942792 362672939 /nfs/dbraw/zinc/67/29/39/362672939.db2.gz ZJTHNRDBSGMTMS-UHFFFAOYSA-N 1 2 292.326 2.415 20 30 CEEDLO C=CC[N@H+](CC(=O)NCC(F)(F)F)Cc1cccs1 ZINC000060942792 362672943 /nfs/dbraw/zinc/67/29/43/362672943.db2.gz ZJTHNRDBSGMTMS-UHFFFAOYSA-N 1 2 292.326 2.415 20 30 CEEDLO CC(C)(C(=O)NCC1(C#N)CCCCC1)c1c[nH]c[nH+]1 ZINC000598313864 346324396 /nfs/dbraw/zinc/32/43/96/346324396.db2.gz VRGDYMZEXKKQMD-UHFFFAOYSA-N 1 2 274.368 2.278 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598464177 346361216 /nfs/dbraw/zinc/36/12/16/346361216.db2.gz GSLKMQKUGXAXAA-QWHCGFSZSA-N 1 2 296.374 2.348 20 30 CEEDLO COC(=O)C1([NH2+]C[C@H](O)CC(C)(C)C#N)CCCCCC1 ZINC000598600679 346381884 /nfs/dbraw/zinc/38/18/84/346381884.db2.gz PPYKWNMPIRYJEO-CYBMUJFWSA-N 1 2 296.411 2.143 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C#N)CC(C)C1 ZINC000598739264 346412512 /nfs/dbraw/zinc/41/25/12/346412512.db2.gz WTHGLKHKGWZJQT-CVZZAPKMSA-N 1 2 260.341 2.020 20 30 CEEDLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598836934 346425797 /nfs/dbraw/zinc/42/57/97/346425797.db2.gz SFNJGYJPDDNNKE-UXLLHSPISA-N 1 2 285.391 2.059 20 30 CEEDLO Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000598837867 346425847 /nfs/dbraw/zinc/42/58/47/346425847.db2.gz ZABDILKWIWDJSH-LZLYRXPVSA-N 1 2 299.418 2.367 20 30 CEEDLO Cc1cc(N[C@H]2COc3cccc(C)c3C2)c(C#N)c[nH+]1 ZINC000599122173 346463341 /nfs/dbraw/zinc/46/33/41/346463341.db2.gz ALYQCOPPQXERJR-CQSZACIVSA-N 1 2 279.343 2.408 20 30 CEEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F ZINC000599160826 346470083 /nfs/dbraw/zinc/47/00/83/346470083.db2.gz PKLQQPIOSNHRDV-NSHDSACASA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1C(F)(F)F ZINC000599160826 346470086 /nfs/dbraw/zinc/47/00/86/346470086.db2.gz PKLQQPIOSNHRDV-NSHDSACASA-N 1 2 299.296 2.320 20 30 CEEDLO Cc1ccc(CN2CCc3c([nH+]cn3C)C2)cc1C#N ZINC000599289690 346491325 /nfs/dbraw/zinc/49/13/25/346491325.db2.gz IQRNBPQIDPJYNA-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO COc1cncc(C[N@H+](CCC#N)CCC(C)C)n1 ZINC000599307971 346495357 /nfs/dbraw/zinc/49/53/57/346495357.db2.gz PIHHEEIGMZKTRY-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO COc1cncc(C[N@@H+](CCC#N)CCC(C)C)n1 ZINC000599307971 346495358 /nfs/dbraw/zinc/49/53/58/346495358.db2.gz PIHHEEIGMZKTRY-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000599316938 346498419 /nfs/dbraw/zinc/49/84/19/346498419.db2.gz RQLHFJYSDBBLLJ-DLBZAZTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000599316938 346498420 /nfs/dbraw/zinc/49/84/20/346498420.db2.gz RQLHFJYSDBBLLJ-DLBZAZTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1nnsc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677652 346562428 /nfs/dbraw/zinc/56/24/28/346562428.db2.gz IUPFUOGXJJAUJV-UHFFFAOYSA-N 1 2 284.388 2.471 20 30 CEEDLO Cc1nnsc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677652 346562430 /nfs/dbraw/zinc/56/24/30/346562430.db2.gz IUPFUOGXJJAUJV-UHFFFAOYSA-N 1 2 284.388 2.471 20 30 CEEDLO COC(=O)[C@]1([NH2+]CCOCCC#N)CCCC(C)(C)C1 ZINC000599559369 346538248 /nfs/dbraw/zinc/53/82/48/346538248.db2.gz VDCHTHAQLLPLNE-HNNXBMFYSA-N 1 2 282.384 2.018 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1C#N ZINC000599634403 346549685 /nfs/dbraw/zinc/54/96/85/346549685.db2.gz JVQCBIVLWTWPTQ-OAHLLOKOSA-N 1 2 262.328 2.427 20 30 CEEDLO Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1C#N ZINC000599634403 346549687 /nfs/dbraw/zinc/54/96/87/346549687.db2.gz JVQCBIVLWTWPTQ-OAHLLOKOSA-N 1 2 262.328 2.427 20 30 CEEDLO Cc1noc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599686798 346565209 /nfs/dbraw/zinc/56/52/09/346565209.db2.gz ZDTVFVYUWXHYPF-UHFFFAOYSA-N 1 2 268.320 2.002 20 30 CEEDLO Cc1noc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599686798 346565212 /nfs/dbraw/zinc/56/52/12/346565212.db2.gz ZDTVFVYUWXHYPF-UHFFFAOYSA-N 1 2 268.320 2.002 20 30 CEEDLO CC[C@H](C(=O)OC)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685275 346565246 /nfs/dbraw/zinc/56/52/46/346565246.db2.gz CVWFUBYSCPNOQQ-OAHLLOKOSA-N 1 2 272.348 2.062 20 30 CEEDLO CC[C@H](C(=O)OC)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685275 346565249 /nfs/dbraw/zinc/56/52/49/346565249.db2.gz CVWFUBYSCPNOQQ-OAHLLOKOSA-N 1 2 272.348 2.062 20 30 CEEDLO N#CCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000129177102 365834167 /nfs/dbraw/zinc/83/41/67/365834167.db2.gz AOKZVXPOFKNWFL-UHFFFAOYSA-N 1 2 281.153 2.387 20 30 CEEDLO N#CC1(CC(=O)N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000600315547 346634372 /nfs/dbraw/zinc/63/43/72/346634372.db2.gz QCQVHOQHAKERLT-CQSZACIVSA-N 1 2 298.321 2.448 20 30 CEEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccco3)CC2)CC2(CC2)C1 ZINC000600977397 346724786 /nfs/dbraw/zinc/72/47/86/346724786.db2.gz GRCANMYJWZTRDA-UHFFFAOYSA-N 1 2 299.374 2.008 20 30 CEEDLO C[C@@H](C#N)CN(C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601011356 346731750 /nfs/dbraw/zinc/73/17/50/346731750.db2.gz WVIUIZIVOXAUDB-NSHDSACASA-N 1 2 268.320 2.308 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000601179547 346779136 /nfs/dbraw/zinc/77/91/36/346779136.db2.gz YBTMJGQHBWHKSZ-KOLCDFICSA-N 1 2 267.336 2.361 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1ccc(O)cc1 ZINC000356309467 370653282 /nfs/dbraw/zinc/65/32/82/370653282.db2.gz VYCXUZFZDQNTBO-UHFFFAOYSA-N 1 2 259.334 2.352 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(O)cc1 ZINC000356309467 370653286 /nfs/dbraw/zinc/65/32/86/370653286.db2.gz VYCXUZFZDQNTBO-UHFFFAOYSA-N 1 2 259.334 2.352 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1N(Cc2cccc(C#N)n2)CC1(C)C ZINC000602680508 347140998 /nfs/dbraw/zinc/14/09/98/347140998.db2.gz UMXWELJVUUWTFO-AWEZNQCLSA-N 1 2 281.363 2.270 20 30 CEEDLO C=CCC[C@H]([NH2+]C1CC(n2cccn2)C1)C(=O)OCC ZINC000602683960 347143648 /nfs/dbraw/zinc/14/36/48/347143648.db2.gz YTILXTSKYDUUHQ-RUXDESIVSA-N 1 2 277.368 2.074 20 30 CEEDLO N#Cc1c(F)cccc1C[NH+]1CC2(C1)CCCOC2 ZINC000602691532 347149862 /nfs/dbraw/zinc/14/98/62/347149862.db2.gz WQTPWGGINGRFLN-UHFFFAOYSA-N 1 2 260.312 2.310 20 30 CEEDLO C[C@@H](N1CC[NH+](CC2(CC#N)CC2)CC1)C(F)(F)F ZINC000602776363 347193169 /nfs/dbraw/zinc/19/31/69/347193169.db2.gz FXZSTZYKNBKVLT-LLVKDONJSA-N 1 2 275.318 2.249 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000602735069 347178713 /nfs/dbraw/zinc/17/87/13/347178713.db2.gz SFNGKASZKSINPU-AGIUHOORSA-N 1 2 250.342 2.166 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H](C)N1CC#N ZINC000602860507 347228155 /nfs/dbraw/zinc/22/81/55/347228155.db2.gz IYYADFSUCSFBAZ-STQMWFEESA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000602860634 347228321 /nfs/dbraw/zinc/22/83/21/347228321.db2.gz CRSRJVADRPVCQH-RYMFRWLXSA-N 1 2 265.401 2.208 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000602860373 347228415 /nfs/dbraw/zinc/22/84/15/347228415.db2.gz BDVQUVGVKNDALC-MNOVXSKESA-N 1 2 279.771 2.409 20 30 CEEDLO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000602866187 347231238 /nfs/dbraw/zinc/23/12/38/347231238.db2.gz ZAAZWTIPMYVGGD-RYUDHWBXSA-N 1 2 259.353 2.468 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000602866242 347231266 /nfs/dbraw/zinc/23/12/66/347231266.db2.gz ZODKWHNKWVWONO-SECBINFHSA-N 1 2 285.800 2.252 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000602868542 347231353 /nfs/dbraw/zinc/23/13/53/347231353.db2.gz JFZYBYDGMGQSDB-QMMMGPOBSA-N 1 2 292.339 2.266 20 30 CEEDLO Cc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)no1 ZINC000602912585 347245675 /nfs/dbraw/zinc/24/56/75/347245675.db2.gz NTNQQAKJJLKZSQ-UHFFFAOYSA-N 1 2 283.335 2.024 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973889 347260183 /nfs/dbraw/zinc/26/01/83/347260183.db2.gz HDJFPORJZOHNMU-KBXIAJHMSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973889 347260188 /nfs/dbraw/zinc/26/01/88/347260188.db2.gz HDJFPORJZOHNMU-KBXIAJHMSA-N 1 2 277.412 2.305 20 30 CEEDLO COC(=O)c1oc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1C ZINC000602976876 347262292 /nfs/dbraw/zinc/26/22/92/347262292.db2.gz UVFLNOFASSQXDG-AAEUAGOBSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1oc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1C ZINC000602976876 347262294 /nfs/dbraw/zinc/26/22/94/347262294.db2.gz UVFLNOFASSQXDG-AAEUAGOBSA-N 1 2 276.336 2.499 20 30 CEEDLO N#Cc1cnccc1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603014997 347272725 /nfs/dbraw/zinc/27/27/25/347272725.db2.gz NMQSRKUAZVSKDP-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000603033292 347275595 /nfs/dbraw/zinc/27/55/95/347275595.db2.gz RNOFYOJOMWRCGD-UHFFFAOYSA-N 1 2 285.347 2.445 20 30 CEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000603033292 347275596 /nfs/dbraw/zinc/27/55/96/347275596.db2.gz RNOFYOJOMWRCGD-UHFFFAOYSA-N 1 2 285.347 2.445 20 30 CEEDLO N#CC1(Cc2cn(Cc3c[nH]c[nH+]3)nn2)CCCCC1 ZINC000603219192 347311970 /nfs/dbraw/zinc/31/19/70/347311970.db2.gz ITCQEGNMRJJWNR-UHFFFAOYSA-N 1 2 270.340 2.066 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1Br ZINC000609030934 347625842 /nfs/dbraw/zinc/62/58/42/347625842.db2.gz SSXLLYIRIJENCH-SECBINFHSA-N 1 2 296.168 2.279 20 30 CEEDLO Cc1nnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609132837 347626891 /nfs/dbraw/zinc/62/68/91/347626891.db2.gz LDVBOVLSAFYIQP-ZDUSSCGKSA-N 1 2 282.351 2.003 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000609709341 347649804 /nfs/dbraw/zinc/64/98/04/347649804.db2.gz YAPXOISXASRZSM-FZMZJTMJSA-N 1 2 275.327 2.213 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000610542954 347691019 /nfs/dbraw/zinc/69/10/19/347691019.db2.gz QELCJNDPPAMSJU-GOEBONIOSA-N 1 2 272.396 2.308 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762708 347712389 /nfs/dbraw/zinc/71/23/89/347712389.db2.gz OCHFGNWKUXTCHL-ILXRZTDVSA-N 1 2 270.332 2.257 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762708 347712391 /nfs/dbraw/zinc/71/23/91/347712391.db2.gz OCHFGNWKUXTCHL-ILXRZTDVSA-N 1 2 270.332 2.257 20 30 CEEDLO N#Cc1cccc(C2(NC(=O)CCCn3cc[nH+]c3)CC2)c1 ZINC000610975494 347726790 /nfs/dbraw/zinc/72/67/90/347726790.db2.gz DGIGDNBBYBYJMP-UHFFFAOYSA-N 1 2 294.358 2.340 20 30 CEEDLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000611939247 347827834 /nfs/dbraw/zinc/82/78/34/347827834.db2.gz PTAXYUBCZVDKKM-BLLLJJGKSA-N 1 2 294.358 2.139 20 30 CEEDLO Cn1cc(C[NH2+]Cc2cocn2)c(-c2ccc(C#N)cc2)n1 ZINC000611497893 347785532 /nfs/dbraw/zinc/78/55/32/347785532.db2.gz OLJXZPTWFZYSTL-UHFFFAOYSA-N 1 2 293.330 2.237 20 30 CEEDLO Cc1cccn2cc(CC(=O)Nc3cc(C#N)ccn3)[nH+]c12 ZINC000568586003 299146123 /nfs/dbraw/zinc/14/61/23/299146123.db2.gz DDZJABHWQDYSCB-UHFFFAOYSA-N 1 2 291.314 2.091 20 30 CEEDLO N#CCCN1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000612110158 347846346 /nfs/dbraw/zinc/84/63/46/347846346.db2.gz LZGZAGAGCOKEEZ-UHFFFAOYSA-N 1 2 279.334 2.039 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000612162497 347851205 /nfs/dbraw/zinc/85/12/05/347851205.db2.gz NIGXDNHCNSZPPN-QGZVFWFLSA-N 1 2 296.374 2.022 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000612162497 347851207 /nfs/dbraw/zinc/85/12/07/347851207.db2.gz NIGXDNHCNSZPPN-QGZVFWFLSA-N 1 2 296.374 2.022 20 30 CEEDLO C[C@]1(C#N)CCCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000612164381 347851817 /nfs/dbraw/zinc/85/18/17/347851817.db2.gz BDBOMCDUOZRKPI-OAHLLOKOSA-N 1 2 254.337 2.460 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000613104049 347971771 /nfs/dbraw/zinc/97/17/71/347971771.db2.gz QJPVGEKAWLADSM-ZDUSSCGKSA-N 1 2 287.363 2.356 20 30 CEEDLO CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@@H](C)C#N ZINC000066424894 362865376 /nfs/dbraw/zinc/86/53/76/362865376.db2.gz CAYVCWPWVMCLNO-ZDUSSCGKSA-N 1 2 277.412 2.402 20 30 CEEDLO CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@@H](C)C#N ZINC000066424894 362865382 /nfs/dbraw/zinc/86/53/82/362865382.db2.gz CAYVCWPWVMCLNO-ZDUSSCGKSA-N 1 2 277.412 2.402 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000614923876 348255205 /nfs/dbraw/zinc/25/52/05/348255205.db2.gz GENBZWJDLCAPRZ-NEPJUHHUSA-N 1 2 289.301 2.473 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000614923876 348255207 /nfs/dbraw/zinc/25/52/07/348255207.db2.gz GENBZWJDLCAPRZ-NEPJUHHUSA-N 1 2 289.301 2.473 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000614962458 348260365 /nfs/dbraw/zinc/26/03/65/348260365.db2.gz DPERIKIJYLKPLV-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c[nH]nc2C1 ZINC000614962458 348260369 /nfs/dbraw/zinc/26/03/69/348260369.db2.gz DPERIKIJYLKPLV-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000614962458 348260371 /nfs/dbraw/zinc/26/03/71/348260371.db2.gz DPERIKIJYLKPLV-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2cn[nH]c2C1 ZINC000614962458 348260375 /nfs/dbraw/zinc/26/03/75/348260375.db2.gz DPERIKIJYLKPLV-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO CCc1noc(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000339437238 215169649 /nfs/dbraw/zinc/16/96/49/215169649.db2.gz LWYOIDAXTONFJX-UHFFFAOYSA-N 1 2 262.338 2.163 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000066939658 362894894 /nfs/dbraw/zinc/89/48/94/362894894.db2.gz MZOHZLPUXDYQHZ-HNNXBMFYSA-N 1 2 283.306 2.014 20 30 CEEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CCC1 ZINC000615536059 348344621 /nfs/dbraw/zinc/34/46/21/348344621.db2.gz GAHRIHFJJABVDB-OAHLLOKOSA-N 1 2 292.423 2.056 20 30 CEEDLO N#C[C@]1(F)CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000615640208 348364821 /nfs/dbraw/zinc/36/48/21/348364821.db2.gz WLWQSBMFHBYRCQ-CYBMUJFWSA-N 1 2 278.718 2.425 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000617779690 348789477 /nfs/dbraw/zinc/78/94/77/348789477.db2.gz GXLXAUHMZSBTRX-ZDUSSCGKSA-N 1 2 261.369 2.167 20 30 CEEDLO Cn1c[nH+]cc1CNc1nc(C(F)(F)F)ccc1C#N ZINC000357607499 233107817 /nfs/dbraw/zinc/10/78/17/233107817.db2.gz PUFBOFBQTHDPAH-UHFFFAOYSA-N 1 2 281.241 2.318 20 30 CEEDLO Cc1cc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc[nH+]1 ZINC000618762770 349039181 /nfs/dbraw/zinc/03/91/81/349039181.db2.gz WUXHWENCOIBDNT-MRXNPFEDSA-N 1 2 292.342 2.493 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000619715894 349226374 /nfs/dbraw/zinc/22/63/74/349226374.db2.gz ZZZNSRYZUWVTFW-ZDUSSCGKSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000619715894 349226376 /nfs/dbraw/zinc/22/63/76/349226376.db2.gz ZZZNSRYZUWVTFW-ZDUSSCGKSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000619718691 349228255 /nfs/dbraw/zinc/22/82/55/349228255.db2.gz VEKQGCBMTFCFOO-TZMCWYRMSA-N 1 2 275.348 2.212 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000619718691 349228259 /nfs/dbraw/zinc/22/82/59/349228259.db2.gz VEKQGCBMTFCFOO-TZMCWYRMSA-N 1 2 275.348 2.212 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C(=O)OC ZINC000619845941 349239707 /nfs/dbraw/zinc/23/97/07/349239707.db2.gz YVNGFKJAPOFNQD-NWDGAFQWSA-N 1 2 257.374 2.002 20 30 CEEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000619622761 349206237 /nfs/dbraw/zinc/20/62/37/349206237.db2.gz FIRZHSGATIVFRX-MRXNPFEDSA-N 1 2 281.363 2.414 20 30 CEEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000619622761 349206240 /nfs/dbraw/zinc/20/62/40/349206240.db2.gz FIRZHSGATIVFRX-MRXNPFEDSA-N 1 2 281.363 2.414 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107063523 186157596 /nfs/dbraw/zinc/15/75/96/186157596.db2.gz PBYMOGHKOPQJKZ-JTQLQIEISA-N 1 2 282.746 2.049 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107063523 186157598 /nfs/dbraw/zinc/15/75/98/186157598.db2.gz PBYMOGHKOPQJKZ-JTQLQIEISA-N 1 2 282.746 2.049 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC(C)(C)C ZINC000111250235 186377287 /nfs/dbraw/zinc/37/72/87/186377287.db2.gz ILULOJHLXCUUAP-UHFFFAOYSA-N 1 2 253.390 2.163 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC(C)(C)C ZINC000111250235 186377289 /nfs/dbraw/zinc/37/72/89/186377289.db2.gz ILULOJHLXCUUAP-UHFFFAOYSA-N 1 2 253.390 2.163 20 30 CEEDLO Cn1cc(C[N@@H+]2CCOc3c(F)cccc3C2)cc1C#N ZINC000336502466 213377921 /nfs/dbraw/zinc/37/79/21/213377921.db2.gz QPAHOQKMEDJHBG-UHFFFAOYSA-N 1 2 285.322 2.430 20 30 CEEDLO Cn1cc(C[N@H+]2CCOc3c(F)cccc3C2)cc1C#N ZINC000336502466 213377924 /nfs/dbraw/zinc/37/79/24/213377924.db2.gz QPAHOQKMEDJHBG-UHFFFAOYSA-N 1 2 285.322 2.430 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)C1CC1 ZINC000271447878 191142189 /nfs/dbraw/zinc/14/21/89/191142189.db2.gz NMFIXZDFGQDFNQ-UHFFFAOYSA-N 1 2 294.376 2.124 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)C1CC1 ZINC000271447878 191142192 /nfs/dbraw/zinc/14/21/92/191142192.db2.gz NMFIXZDFGQDFNQ-UHFFFAOYSA-N 1 2 294.376 2.124 20 30 CEEDLO C=CCOCCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000124190326 187126176 /nfs/dbraw/zinc/12/61/76/187126176.db2.gz NRFYWGAHNLMHHS-LSDHHAIUSA-N 1 2 291.395 2.275 20 30 CEEDLO COCC[N@@H+](CCC#N)CCO[C@@H]1CCCC[C@@H]1C ZINC000072690455 363158510 /nfs/dbraw/zinc/15/85/10/363158510.db2.gz GIKOXTVDOMAQQO-LSDHHAIUSA-N 1 2 268.401 2.444 20 30 CEEDLO COCC[N@H+](CCC#N)CCO[C@@H]1CCCC[C@@H]1C ZINC000072690455 363158516 /nfs/dbraw/zinc/15/85/16/363158516.db2.gz GIKOXTVDOMAQQO-LSDHHAIUSA-N 1 2 268.401 2.444 20 30 CEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC=C(F)C2)cc1 ZINC000611517086 539854745 /nfs/dbraw/zinc/85/47/45/539854745.db2.gz UMPDXERXKOUZKN-OAHLLOKOSA-N 1 2 290.338 2.051 20 30 CEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC=C(F)C2)cc1 ZINC000611517086 539854749 /nfs/dbraw/zinc/85/47/49/539854749.db2.gz UMPDXERXKOUZKN-OAHLLOKOSA-N 1 2 290.338 2.051 20 30 CEEDLO COc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1C#N ZINC000154272844 188132866 /nfs/dbraw/zinc/13/28/66/188132866.db2.gz ZOLMJAIAZIIWMJ-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO COc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1C#N ZINC000154272844 188132867 /nfs/dbraw/zinc/13/28/67/188132867.db2.gz ZOLMJAIAZIIWMJ-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO Cn1cc(C[N@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000154577354 188152122 /nfs/dbraw/zinc/15/21/22/188152122.db2.gz OEHOWUCQPVVCNB-UHFFFAOYSA-N 1 2 257.312 2.043 20 30 CEEDLO Cn1cc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000154577354 188152123 /nfs/dbraw/zinc/15/21/23/188152123.db2.gz OEHOWUCQPVVCNB-UHFFFAOYSA-N 1 2 257.312 2.043 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000340041086 215434741 /nfs/dbraw/zinc/43/47/41/215434741.db2.gz KXBCJRSITPYVSB-UHFFFAOYSA-N 1 2 280.331 2.002 20 30 CEEDLO C#CC[C@@H]([NH2+]Cc1nnc(CC)o1)c1ccccc1 ZINC000271683126 191276220 /nfs/dbraw/zinc/27/62/20/191276220.db2.gz ITJSSDMTNOACNE-CYBMUJFWSA-N 1 2 255.321 2.486 20 30 CEEDLO N#CCC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000073604546 363232448 /nfs/dbraw/zinc/23/24/48/363232448.db2.gz RBSWRDMFLWYWGR-CYBMUJFWSA-N 1 2 273.384 2.098 20 30 CEEDLO N#CCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000073604546 363232453 /nfs/dbraw/zinc/23/24/53/363232453.db2.gz RBSWRDMFLWYWGR-CYBMUJFWSA-N 1 2 273.384 2.098 20 30 CEEDLO C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)[NH+]1CCSCC1 ZINC000132197633 366125127 /nfs/dbraw/zinc/12/51/27/366125127.db2.gz DVFIEGMNUJWLQR-NFAWXSAZSA-N 1 2 295.452 2.012 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn21 ZINC000569903720 299224532 /nfs/dbraw/zinc/22/45/32/299224532.db2.gz YYORJGUGWSRBQA-WCBMZHEXSA-N 1 2 272.333 2.252 20 30 CEEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3CF)n2c1 ZINC000336361812 213212262 /nfs/dbraw/zinc/21/22/62/213212262.db2.gz ZZFIMQDCMNGGNB-LBPRGKRZSA-N 1 2 258.300 2.140 20 30 CEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3CF)n2c1 ZINC000336361812 213212264 /nfs/dbraw/zinc/21/22/64/213212264.db2.gz ZZFIMQDCMNGGNB-LBPRGKRZSA-N 1 2 258.300 2.140 20 30 CEEDLO N#Cc1cccc(C2([NH2+]Cc3nnc4n3CCCC4)CC2)c1 ZINC000271812207 191342188 /nfs/dbraw/zinc/34/21/88/191342188.db2.gz QXVCTFQLBKBGFV-UHFFFAOYSA-N 1 2 293.374 2.265 20 30 CEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000103142019 283098101 /nfs/dbraw/zinc/09/81/01/283098101.db2.gz FIOMJXJEZZUTCT-UHFFFAOYSA-N 1 2 285.326 2.126 20 30 CEEDLO C=C(Br)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273615782 192231070 /nfs/dbraw/zinc/23/10/70/192231070.db2.gz PGPQHPBVKZPBHD-ZCFIWIBFSA-N 1 2 262.176 2.406 20 30 CEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000286202719 283160894 /nfs/dbraw/zinc/16/08/94/283160894.db2.gz QDAQPNHPBNUSLV-ZDUSSCGKSA-N 1 2 291.782 2.123 20 30 CEEDLO C=CCCn1cc(C[NH+]2CC(C3CCCC3)C2)nn1 ZINC000668232060 538755413 /nfs/dbraw/zinc/75/54/13/538755413.db2.gz AKUHFNLGDUBZQR-UHFFFAOYSA-N 1 2 260.385 2.476 20 30 CEEDLO COc1ccc(C[N@@H+]2CCOCC23CCC3)cc1C#N ZINC000135513520 366449410 /nfs/dbraw/zinc/44/94/10/366449410.db2.gz MZFSJKVPUGRUQD-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO COc1ccc(C[N@H+]2CCOCC23CCC3)cc1C#N ZINC000135513520 366449413 /nfs/dbraw/zinc/44/94/13/366449413.db2.gz MZFSJKVPUGRUQD-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177024716 283387951 /nfs/dbraw/zinc/38/79/51/283387951.db2.gz CWSJOUFYRVYBBK-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177024716 283387955 /nfs/dbraw/zinc/38/79/55/283387955.db2.gz CWSJOUFYRVYBBK-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO C=CCOCCCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000080121069 363645424 /nfs/dbraw/zinc/64/54/24/363645424.db2.gz YHGUHJCHDLFVET-UHFFFAOYSA-N 1 2 287.363 2.242 20 30 CEEDLO Cc1cc(N2CCC(Oc3cnccn3)CC2)c(C#N)c[nH+]1 ZINC000578998950 366578868 /nfs/dbraw/zinc/57/88/68/366578868.db2.gz WMQVFMMCSQWDDH-UHFFFAOYSA-N 1 2 295.346 2.100 20 30 CEEDLO N#Cc1ccnc(NCCc2cn3ccccc3[nH+]2)c1Cl ZINC000341741131 216086472 /nfs/dbraw/zinc/08/64/72/216086472.db2.gz CVQAOPGWFVGUJJ-UHFFFAOYSA-N 1 2 297.749 2.331 20 30 CEEDLO C#CCCCCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000177465441 189053504 /nfs/dbraw/zinc/05/35/04/189053504.db2.gz GXQUTYXAEPIXSY-UHFFFAOYSA-N 1 2 298.390 2.447 20 30 CEEDLO C#CC[NH+](CC#C)Cc1c(C2CC2)nc2sccn12 ZINC000180294629 189249098 /nfs/dbraw/zinc/24/90/98/189249098.db2.gz XKFZFEKTWHTCTC-UHFFFAOYSA-N 1 2 269.373 2.342 20 30 CEEDLO C=CCN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000153787154 366737920 /nfs/dbraw/zinc/73/79/20/366737920.db2.gz ILZKNSZBPQJRBJ-UHFFFAOYSA-N 1 2 288.395 2.399 20 30 CEEDLO N#Cc1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000301646124 201114072 /nfs/dbraw/zinc/11/40/72/201114072.db2.gz PKZQOPWIMNHYRB-AWEZNQCLSA-N 1 2 266.304 2.006 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1F ZINC000155242429 366811164 /nfs/dbraw/zinc/81/11/64/366811164.db2.gz NAIDWYHDWDHONW-OLZOCXBDSA-N 1 2 291.370 2.312 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1F ZINC000155242429 366811173 /nfs/dbraw/zinc/81/11/73/366811173.db2.gz NAIDWYHDWDHONW-OLZOCXBDSA-N 1 2 291.370 2.312 20 30 CEEDLO CC(C)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000580947968 366781914 /nfs/dbraw/zinc/78/19/14/366781914.db2.gz UZOCGDFEVRHJAG-INIZCTEOSA-N 1 2 275.396 2.428 20 30 CEEDLO CC(C)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000580947968 366781918 /nfs/dbraw/zinc/78/19/18/366781918.db2.gz UZOCGDFEVRHJAG-INIZCTEOSA-N 1 2 275.396 2.428 20 30 CEEDLO C=CCOCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000679471598 541277114 /nfs/dbraw/zinc/27/71/14/541277114.db2.gz MNZBOYHPWLTHIV-UHFFFAOYSA-N 1 2 284.363 2.137 20 30 CEEDLO C=CCCS(=O)(=O)N1C[C@@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000334986505 364311619 /nfs/dbraw/zinc/31/16/19/364311619.db2.gz JQRJQNQIHUHKLI-LLVKDONJSA-N 1 2 298.383 2.030 20 30 CEEDLO N#Cc1ccsc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861705 364576190 /nfs/dbraw/zinc/57/61/90/364576190.db2.gz PKTHIEWCHXCKMT-UHFFFAOYSA-N 1 2 286.360 2.294 20 30 CEEDLO N#Cc1c(F)cccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000335219077 364641847 /nfs/dbraw/zinc/64/18/47/364641847.db2.gz AQNQPOPIRUDUAI-UHFFFAOYSA-N 1 2 298.321 2.440 20 30 CEEDLO CCOC(=O)C(C)(C)[N@H+](C)CCOc1ccccc1C#N ZINC000112356613 364801284 /nfs/dbraw/zinc/80/12/84/364801284.db2.gz OERNHSHMAMJYMB-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO CCOC(=O)C(C)(C)[N@@H+](C)CCOc1ccccc1C#N ZINC000112356613 364801288 /nfs/dbraw/zinc/80/12/88/364801288.db2.gz OERNHSHMAMJYMB-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO COCC#CC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000680426238 541411665 /nfs/dbraw/zinc/41/16/65/541411665.db2.gz ATDDTCVJBGKBNW-GFCCVEGCSA-N 1 2 277.368 2.418 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117891794 365131714 /nfs/dbraw/zinc/13/17/14/365131714.db2.gz VMCLOKHFTUFDIG-CQSZACIVSA-N 1 2 272.348 2.040 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000117891794 365131718 /nfs/dbraw/zinc/13/17/18/365131718.db2.gz VMCLOKHFTUFDIG-CQSZACIVSA-N 1 2 272.348 2.040 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000336111077 365422533 /nfs/dbraw/zinc/42/25/33/365422533.db2.gz QUFZAEUYXZHZGX-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000336111077 365422540 /nfs/dbraw/zinc/42/25/40/365422540.db2.gz QUFZAEUYXZHZGX-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000340982529 367117260 /nfs/dbraw/zinc/11/72/60/367117260.db2.gz ZXXDQXIVDYJRRT-UHFFFAOYSA-N 1 2 284.294 2.411 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000602865838 367217321 /nfs/dbraw/zinc/21/73/21/367217321.db2.gz ZRNOWZPIYFDTDS-IUCAKERBSA-N 1 2 267.279 2.184 20 30 CEEDLO CCN(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602865630 367217482 /nfs/dbraw/zinc/21/74/82/367217482.db2.gz XAKFTSBYLFHVGR-OLZOCXBDSA-N 1 2 259.353 2.320 20 30 CEEDLO Cc1noc(C(C)(C)[NH2+]Cc2cc(C#N)cs2)n1 ZINC000341256651 367248739 /nfs/dbraw/zinc/24/87/39/367248739.db2.gz UGNIYIOVTAKOKY-UHFFFAOYSA-N 1 2 262.338 2.336 20 30 CEEDLO C=CC[C@H](CC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000341526252 367367217 /nfs/dbraw/zinc/36/72/17/367367217.db2.gz PWNQLHWIMOGFCX-OLZOCXBDSA-N 1 2 276.384 2.274 20 30 CEEDLO Cc1c[nH+]c(CN(C)Cc2ccc(C#N)cc2)n1C ZINC000342789698 367537713 /nfs/dbraw/zinc/53/77/13/367537713.db2.gz LVSYNPLEGBGTKZ-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1cc(C#N)nc(NCc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000342920499 367598107 /nfs/dbraw/zinc/59/81/07/367598107.db2.gz ZEEAOZSUUARPBJ-UHFFFAOYSA-N 1 2 290.330 2.081 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343359215 367771824 /nfs/dbraw/zinc/77/18/24/367771824.db2.gz JFCNQPROLVKXLG-HNNXBMFYSA-N 1 2 283.335 2.205 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@@H](C)C(=O)OC(C)C)c1O ZINC000173989559 367969980 /nfs/dbraw/zinc/96/99/80/367969980.db2.gz HKEXCNNKZPJMLR-LKBVRNOZSA-N 1 2 279.336 2.407 20 30 CEEDLO Cc1cccc2nc(C[NH2+]Cc3ccc(C#N)o3)cn21 ZINC000174374610 368015376 /nfs/dbraw/zinc/01/53/76/368015376.db2.gz WUVJODIOQUKDIA-UHFFFAOYSA-N 1 2 266.304 2.397 20 30 CEEDLO C=CCCCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000175382559 368131455 /nfs/dbraw/zinc/13/14/55/368131455.db2.gz DDEWMEKAXPRKKI-UHFFFAOYSA-N 1 2 270.336 2.240 20 30 CEEDLO C#CC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000192232505 260953157 /nfs/dbraw/zinc/95/31/57/260953157.db2.gz SLQMKOHUCDUIEZ-UHFFFAOYSA-N 1 2 261.712 2.455 20 30 CEEDLO CC#CCCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000185573548 368825292 /nfs/dbraw/zinc/82/52/92/368825292.db2.gz NOKLCHPOTLVIPO-MRXNPFEDSA-N 1 2 299.418 2.480 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000185847639 368872781 /nfs/dbraw/zinc/87/27/81/368872781.db2.gz HNVINENYYVKMQY-KGLIPLIRSA-N 1 2 273.380 2.342 20 30 CEEDLO C#CCC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000186366602 368964347 /nfs/dbraw/zinc/96/43/47/368964347.db2.gz DBVUKEVGYCUAAB-UHFFFAOYSA-N 1 2 277.393 2.119 20 30 CEEDLO C#CCC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000186366602 368964350 /nfs/dbraw/zinc/96/43/50/368964350.db2.gz DBVUKEVGYCUAAB-UHFFFAOYSA-N 1 2 277.393 2.119 20 30 CEEDLO C=C(C)CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635821527 369362208 /nfs/dbraw/zinc/36/22/08/369362208.db2.gz WVKZRHULUKEUQS-SECBINFHSA-N 1 2 261.247 2.069 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)c3cc(C#N)ccn3)cc2[nH+]1 ZINC000350025338 369485941 /nfs/dbraw/zinc/48/59/41/369485941.db2.gz FBUJBHWCBSGHHJ-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636056216 369486660 /nfs/dbraw/zinc/48/66/60/369486660.db2.gz KOKZGCXFABUGAG-ZNMIVQPWSA-N 1 2 291.395 2.178 20 30 CEEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000189312535 369495400 /nfs/dbraw/zinc/49/54/00/369495400.db2.gz QVNAJNNNJHBOIX-LSDHHAIUSA-N 1 2 298.346 2.212 20 30 CEEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000189312535 369495405 /nfs/dbraw/zinc/49/54/05/369495405.db2.gz QVNAJNNNJHBOIX-LSDHHAIUSA-N 1 2 298.346 2.212 20 30 CEEDLO C=CCC1(NC(=O)c2ccn3cc(C)[nH+]c3c2)CCOCC1 ZINC000636182589 369547581 /nfs/dbraw/zinc/54/75/81/369547581.db2.gz NCOFSCNEUGHFSD-UHFFFAOYSA-N 1 2 299.374 2.498 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)N1c2ccccc2C[C@H]1C ZINC000191073836 369673684 /nfs/dbraw/zinc/67/36/84/369673684.db2.gz XNAUOCNOLBFNIG-CQSZACIVSA-N 1 2 288.391 2.099 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)N1c2ccccc2C[C@H]1C ZINC000191073836 369673687 /nfs/dbraw/zinc/67/36/87/369673687.db2.gz XNAUOCNOLBFNIG-CQSZACIVSA-N 1 2 288.391 2.099 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000191073849 369674197 /nfs/dbraw/zinc/67/41/97/369674197.db2.gz XNAUOCNOLBFNIG-AWEZNQCLSA-N 1 2 288.391 2.099 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000191073849 369674206 /nfs/dbraw/zinc/67/42/06/369674206.db2.gz XNAUOCNOLBFNIG-AWEZNQCLSA-N 1 2 288.391 2.099 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(C(C)C)no1 ZINC000191144859 369683724 /nfs/dbraw/zinc/68/37/24/369683724.db2.gz HPFLGRQHUNCZJF-NSHDSACASA-N 1 2 253.346 2.388 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(C(C)C)no1 ZINC000191144859 369683730 /nfs/dbraw/zinc/68/37/30/369683730.db2.gz HPFLGRQHUNCZJF-NSHDSACASA-N 1 2 253.346 2.388 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000191764100 369741341 /nfs/dbraw/zinc/74/13/41/369741341.db2.gz ZBOFAQNRUOYNFJ-UHFFFAOYSA-N 1 2 256.327 2.291 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000191764100 369741343 /nfs/dbraw/zinc/74/13/43/369741343.db2.gz ZBOFAQNRUOYNFJ-UHFFFAOYSA-N 1 2 256.327 2.291 20 30 CEEDLO C=CCN(CCOC)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000191977948 369760122 /nfs/dbraw/zinc/76/01/22/369760122.db2.gz YEPIGBKDZTYKQN-UHFFFAOYSA-N 1 2 285.347 2.147 20 30 CEEDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccc1C#N ZINC000352669725 369827667 /nfs/dbraw/zinc/82/76/67/369827667.db2.gz BBPIQSYMEKMIGE-SJORKVTESA-N 1 2 286.375 2.247 20 30 CEEDLO 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N#CC[C@@H]1CC[C@H](NC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000298419438 263219485 /nfs/dbraw/zinc/21/94/85/263219485.db2.gz LFWOJYXRTMRBSA-STQMWFEESA-N 1 2 297.362 2.216 20 30 CEEDLO COc1cccc(/C=[NH+]/C2CCC(NC(C)=O)CC2)c1O ZINC000299577158 263248452 /nfs/dbraw/zinc/24/84/52/263248452.db2.gz CGFNPAQLJWVBJQ-LICLKQGHSA-N 1 2 290.363 2.267 20 30 CEEDLO C=CCCN(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342179070 263393336 /nfs/dbraw/zinc/39/33/36/263393336.db2.gz GLMVPDQTXWKYSJ-ZDUSSCGKSA-N 1 2 276.384 2.286 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000330823069 264047596 /nfs/dbraw/zinc/04/75/96/264047596.db2.gz GMMBLAMMQWCMOK-ZDUSSCGKSA-N 1 2 275.377 2.205 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000330823069 264047597 /nfs/dbraw/zinc/04/75/97/264047597.db2.gz GMMBLAMMQWCMOK-ZDUSSCGKSA-N 1 2 275.377 2.205 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000330855075 264069129 /nfs/dbraw/zinc/06/91/29/264069129.db2.gz RVESFINVAUZKBS-JSGCOSHPSA-N 1 2 257.337 2.215 20 30 CEEDLO CO[C@H](C)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331060367 264110022 /nfs/dbraw/zinc/11/00/22/264110022.db2.gz MXNYVTYMWZGDNW-SECBINFHSA-N 1 2 261.325 2.221 20 30 CEEDLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)nn1C ZINC000331174348 264147312 /nfs/dbraw/zinc/14/73/12/264147312.db2.gz PCXSKZLSGNMBAV-UHFFFAOYSA-N 1 2 274.324 2.385 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1snnc1C(C)(C)C ZINC000331196121 264158799 /nfs/dbraw/zinc/15/87/99/264158799.db2.gz LQFUHUKIRVBKGK-SECBINFHSA-N 1 2 293.396 2.425 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2nc[nH]n2)c(C)[nH+]1 ZINC000331243868 264178083 /nfs/dbraw/zinc/17/80/83/264178083.db2.gz RWZMWBXCYKYNDT-SNVBAGLBSA-N 1 2 274.328 2.212 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2nnc[nH]2)c(C)[nH+]1 ZINC000331243868 264178085 /nfs/dbraw/zinc/17/80/85/264178085.db2.gz RWZMWBXCYKYNDT-SNVBAGLBSA-N 1 2 274.328 2.212 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1F ZINC000331313676 264187133 /nfs/dbraw/zinc/18/71/33/264187133.db2.gz CKTOPTGKAWCEOP-RISCZKNCSA-N 1 2 275.327 2.355 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000331320193 264188900 /nfs/dbraw/zinc/18/89/00/264188900.db2.gz DWGBNELOYKIGKP-MFKMUULPSA-N 1 2 261.300 2.046 20 30 CEEDLO Cc1cc(C)c(NC(=O)NCC(=O)NC(C)(C)C)c(C)[nH+]1 ZINC000331323020 264189791 /nfs/dbraw/zinc/18/97/91/264189791.db2.gz LOFDDDXSENWNHY-UHFFFAOYSA-N 1 2 292.383 2.247 20 30 CEEDLO COc1ccc(C#N)cc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331361620 264209762 /nfs/dbraw/zinc/20/97/62/264209762.db2.gz ZHOZOWWNEDVULP-OCCSQVGLSA-N 1 2 255.321 2.349 20 30 CEEDLO N#CCC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000425991509 264279635 /nfs/dbraw/zinc/27/96/35/264279635.db2.gz WBTHJTJHHPTCEO-UHFFFAOYSA-N 1 2 270.235 2.020 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCc1cccs1 ZINC000356475609 266121748 /nfs/dbraw/zinc/12/17/48/266121748.db2.gz MUUNDDKDQANZDC-CHWSQXEVSA-N 1 2 293.436 2.277 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCc1cccs1 ZINC000356475609 266121750 /nfs/dbraw/zinc/12/17/50/266121750.db2.gz MUUNDDKDQANZDC-CHWSQXEVSA-N 1 2 293.436 2.277 20 30 CEEDLO CC#CCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356665786 266157051 /nfs/dbraw/zinc/15/70/51/266157051.db2.gz HGHQVKNNUGKQLG-GFCCVEGCSA-N 1 2 273.380 2.168 20 30 CEEDLO CC#CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356665786 266157053 /nfs/dbraw/zinc/15/70/53/266157053.db2.gz HGHQVKNNUGKQLG-GFCCVEGCSA-N 1 2 273.380 2.168 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OC ZINC000361114555 266787697 /nfs/dbraw/zinc/78/76/97/266787697.db2.gz SUYIGXLJCOHCTM-OCCSQVGLSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363226466 267081255 /nfs/dbraw/zinc/08/12/55/267081255.db2.gz WGYZKXCJHWXKMT-CYBMUJFWSA-N 1 2 288.395 2.314 20 30 CEEDLO C=CCCCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000368825828 267207345 /nfs/dbraw/zinc/20/73/45/267207345.db2.gz SYNWXIVWSQFWTE-ZDUSSCGKSA-N 1 2 276.384 2.275 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccccc1C#N ZINC000492410664 267257184 /nfs/dbraw/zinc/25/71/84/267257184.db2.gz ROWJBVODGHZSGB-FPLPWBNLSA-N 1 2 266.304 2.427 20 30 CEEDLO CCn1cc[nH+]c1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000450689477 267257716 /nfs/dbraw/zinc/25/77/16/267257716.db2.gz XZHKYHCDOUOTBR-UHFFFAOYSA-N 1 2 295.268 2.222 20 30 CEEDLO N#C[C@@H]1[N@H+](CC[C@H]2CCCO2)CCC[C@@]12CCCCO2 ZINC000370123041 267293163 /nfs/dbraw/zinc/29/31/63/267293163.db2.gz QIICYRNAXGKTIL-PMPSAXMXSA-N 1 2 278.396 2.483 20 30 CEEDLO N#C[C@@H]1[N@@H+](CC[C@H]2CCCO2)CCC[C@@]12CCCCO2 ZINC000370123041 267293166 /nfs/dbraw/zinc/29/31/66/267293166.db2.gz QIICYRNAXGKTIL-PMPSAXMXSA-N 1 2 278.396 2.483 20 30 CEEDLO OC1(C2CC2)C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000373177812 267647167 /nfs/dbraw/zinc/64/71/67/267647167.db2.gz FNIIVTORBOPUTI-UHFFFAOYSA-N 1 2 261.752 2.148 20 30 CEEDLO Cn1cc(C[NH2+]C(CF)CF)c(-c2ccc(C#N)cc2)n1 ZINC000449378856 268128733 /nfs/dbraw/zinc/12/87/33/268128733.db2.gz GBKKJISHGDXBJA-UHFFFAOYSA-N 1 2 290.317 2.356 20 30 CEEDLO N#Cc1cccc(OC2CC[NH+](Cc3ncccn3)CC2)c1 ZINC000191996291 268270795 /nfs/dbraw/zinc/27/07/95/268270795.db2.gz FEKDTGVVSAKLTP-UHFFFAOYSA-N 1 2 294.358 2.392 20 30 CEEDLO COc1ccc(OC)c(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425204159 271138639 /nfs/dbraw/zinc/13/86/39/271138639.db2.gz GJZHVWDKXXZUTG-UHFFFAOYSA-N 1 2 283.331 2.313 20 30 CEEDLO Cc1cc(N2CCC[C@@H](NC(=O)C(C)C)C2)c(C#N)c[nH+]1 ZINC000425221848 271140383 /nfs/dbraw/zinc/14/03/83/271140383.db2.gz KWDGKVYUBUAXCF-CQSZACIVSA-N 1 2 286.379 2.003 20 30 CEEDLO Cc1cc(N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425263836 271149285 /nfs/dbraw/zinc/14/92/85/271149285.db2.gz VGPHULZVJWVHGZ-ZWNOBZJWSA-N 1 2 299.296 2.401 20 30 CEEDLO COCC[N@H+](Cc1cc(C#N)cs1)Cc1ccnn1C ZINC000426529649 271224855 /nfs/dbraw/zinc/22/48/55/271224855.db2.gz LBUVMLZZRZWQFG-UHFFFAOYSA-N 1 2 290.392 2.002 20 30 CEEDLO COCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccnn1C ZINC000426529649 271224857 /nfs/dbraw/zinc/22/48/57/271224857.db2.gz LBUVMLZZRZWQFG-UHFFFAOYSA-N 1 2 290.392 2.002 20 30 CEEDLO CC1(C)CC[N@H+](CC#Cc2ccc(F)cc2)CC[S@]1=O ZINC000336305469 276113227 /nfs/dbraw/zinc/11/32/27/276113227.db2.gz NACSLZYPMAPXJB-FQEVSTJZSA-N 1 2 293.407 2.410 20 30 CEEDLO CC1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)CC[S@]1=O ZINC000336305469 276113229 /nfs/dbraw/zinc/11/32/29/276113229.db2.gz NACSLZYPMAPXJB-FQEVSTJZSA-N 1 2 293.407 2.410 20 30 CEEDLO C=C(C)CC[NH2+][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000352401217 277766394 /nfs/dbraw/zinc/76/63/94/277766394.db2.gz HHXJWKBBGUCFTJ-WFASDCNBSA-N 1 2 269.385 2.289 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000092735270 279710389 /nfs/dbraw/zinc/71/03/89/279710389.db2.gz RYVNRZDMLVBTIB-UHFFFAOYSA-N 1 2 287.298 2.095 20 30 CEEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191169624 280133311 /nfs/dbraw/zinc/13/33/11/280133311.db2.gz FCPVAYWBFATCRA-LBPRGKRZSA-N 1 2 254.337 2.275 20 30 CEEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191169624 280133312 /nfs/dbraw/zinc/13/33/12/280133312.db2.gz FCPVAYWBFATCRA-LBPRGKRZSA-N 1 2 254.337 2.275 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000156064434 289188310 /nfs/dbraw/zinc/18/83/10/289188310.db2.gz AISADDZNKUCXAL-IUODEOHRSA-N 1 2 294.358 2.195 20 30 CEEDLO Cn1cc(C[NH+]2CCC(F)(C#N)CC2)c(C(F)F)n1 ZINC000352481301 294233872 /nfs/dbraw/zinc/23/38/72/294233872.db2.gz DZTBLOMZQAHZDJ-UHFFFAOYSA-N 1 2 272.274 2.185 20 30 CEEDLO O=C(C[N@@H+]1CCCOCC1)N[C@H]1CCOc2ccccc21 ZINC000329296729 295389490 /nfs/dbraw/zinc/38/94/90/295389490.db2.gz SWRJADKTKNLWQT-AWEZNQCLSA-N 1 2 290.363 2.189 20 30 CEEDLO O=C(C[N@H+]1CCCOCC1)N[C@H]1CCOc2ccccc21 ZINC000329296729 295389493 /nfs/dbraw/zinc/38/94/93/295389493.db2.gz SWRJADKTKNLWQT-AWEZNQCLSA-N 1 2 290.363 2.189 20 30 CEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330095548 297130070 /nfs/dbraw/zinc/13/00/70/297130070.db2.gz VRZGNIFZRZXQFO-VHDGCEQUSA-N 1 2 296.411 2.011 20 30 CEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330095548 297130071 /nfs/dbraw/zinc/13/00/71/297130071.db2.gz VRZGNIFZRZXQFO-VHDGCEQUSA-N 1 2 296.411 2.011 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)C2(C#N)CCCCC2)c2[nH+]ccn21 ZINC000335152706 300504008 /nfs/dbraw/zinc/50/40/08/300504008.db2.gz CRRUTDPAIGJJDD-RYUDHWBXSA-N 1 2 272.352 2.479 20 30 CEEDLO C[C@@H](CC(=O)NCc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000566071341 313847016 /nfs/dbraw/zinc/84/70/16/313847016.db2.gz NCADATWWUSHASM-LBPRGKRZSA-N 1 2 268.320 2.022 20 30 CEEDLO CCc1cccc(NC(=O)C[NH2+][C@@H](CC)CC#N)c1 ZINC000563363772 328059306 /nfs/dbraw/zinc/05/93/06/328059306.db2.gz BQVGATPGAAFSNH-ZDUSSCGKSA-N 1 2 259.353 2.469 20 30 CEEDLO C#CC[N@@H+](Cc1nnc(C)n1CCC)C1CCCC1 ZINC000161032213 328119708 /nfs/dbraw/zinc/11/97/08/328119708.db2.gz DCFNQMNYNMVUKH-UHFFFAOYSA-N 1 2 260.385 2.374 20 30 CEEDLO C#CC[N@H+](Cc1nnc(C)n1CCC)C1CCCC1 ZINC000161032213 328119710 /nfs/dbraw/zinc/11/97/10/328119710.db2.gz DCFNQMNYNMVUKH-UHFFFAOYSA-N 1 2 260.385 2.374 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000571634800 328151001 /nfs/dbraw/zinc/15/10/01/328151001.db2.gz BWRBQTUZLTVBPF-ZLKJLUDKSA-N 1 2 285.326 2.315 20 30 CEEDLO Cc1noc(C)c1CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266202100 328168371 /nfs/dbraw/zinc/16/83/71/328168371.db2.gz LOKOGSMSLDVGLO-NSHDSACASA-N 1 2 269.345 2.141 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000268265977 328183689 /nfs/dbraw/zinc/18/36/89/328183689.db2.gz AZPNJBAYIUBEER-NSHDSACASA-N 1 2 263.297 2.208 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000268265977 328183690 /nfs/dbraw/zinc/18/36/90/328183690.db2.gz AZPNJBAYIUBEER-NSHDSACASA-N 1 2 263.297 2.208 20 30 CEEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(C)(C#N)CC1 ZINC000272651226 328200248 /nfs/dbraw/zinc/20/02/48/328200248.db2.gz ZKHAQIZYRZKOFW-GFCCVEGCSA-N 1 2 291.420 2.378 20 30 CEEDLO CCNC(=O)C1(C/[NH+]=C/c2ccccc2O)CCC1 ZINC000276930856 328220148 /nfs/dbraw/zinc/22/01/48/328220148.db2.gz UKOYLZMSEIQJCI-MHWRWJLKSA-N 1 2 260.337 2.118 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1Cl ZINC000292167200 328268299 /nfs/dbraw/zinc/26/82/99/328268299.db2.gz LMZNSJSDKHXLAB-CYBMUJFWSA-N 1 2 294.782 2.481 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1Cl ZINC000292167200 328268300 /nfs/dbraw/zinc/26/83/00/328268300.db2.gz LMZNSJSDKHXLAB-CYBMUJFWSA-N 1 2 294.782 2.481 20 30 CEEDLO Cc1[nH+]c2cc(OC(=O)CCCC#N)ccc2n1C ZINC000295998045 328288599 /nfs/dbraw/zinc/28/85/99/328288599.db2.gz FEVJFDVNKIQFHG-UHFFFAOYSA-N 1 2 257.293 2.481 20 30 CEEDLO Cc1c[nH]c(C(C)(C)NC(=O)COc2ccc(C#N)cc2)[nH+]1 ZINC000580560856 322326860 /nfs/dbraw/zinc/32/68/60/322326860.db2.gz AKMWQFMZZPSOAU-UHFFFAOYSA-N 1 2 298.346 2.020 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580901405 322353569 /nfs/dbraw/zinc/35/35/69/322353569.db2.gz SNGQAGZIFUYFMU-SNVBAGLBSA-N 1 2 284.319 2.107 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580901405 322353572 /nfs/dbraw/zinc/35/35/72/322353572.db2.gz SNGQAGZIFUYFMU-SNVBAGLBSA-N 1 2 284.319 2.107 20 30 CEEDLO CC(C)(NC(=O)c1ccc(C#N)s1)c1[nH]cc[nH+]1 ZINC000580956028 322357793 /nfs/dbraw/zinc/35/77/93/322357793.db2.gz UVSRECKSMWFZSB-UHFFFAOYSA-N 1 2 260.322 2.008 20 30 CEEDLO C=C[C@@H]1CCCCN1c1nc(NCCO)c2ccccc2[nH+]1 ZINC000563764510 328512966 /nfs/dbraw/zinc/51/29/66/328512966.db2.gz HOTALKXHZRIQCI-CYBMUJFWSA-N 1 2 298.390 2.001 20 30 CEEDLO COC(=O)C1([NH2+]CCC(C)(C)C#N)CCCCC1 ZINC000345704084 328567737 /nfs/dbraw/zinc/56/77/37/328567737.db2.gz CYYNENMCIIIJKK-UHFFFAOYSA-N 1 2 252.358 2.392 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000569471281 327182946 /nfs/dbraw/zinc/18/29/46/327182946.db2.gz FLGILYXZMLBLSQ-CQSZACIVSA-N 1 2 287.354 2.020 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cc(CO)ccc1F)C1CC1 ZINC000528417871 327209000 /nfs/dbraw/zinc/20/90/00/327209000.db2.gz ADDCUCQDDYNIFO-LLVKDONJSA-N 1 2 262.328 2.442 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cc(CO)ccc1F)C1CC1 ZINC000528417871 327209002 /nfs/dbraw/zinc/20/90/02/327209002.db2.gz ADDCUCQDDYNIFO-LLVKDONJSA-N 1 2 262.328 2.442 20 30 CEEDLO Cn1nc(C2CC2)nc1C[NH+]1CCC(CCC#N)CC1 ZINC000584348843 328651090 /nfs/dbraw/zinc/65/10/90/328651090.db2.gz OLOSKMZFUDDMPY-UHFFFAOYSA-N 1 2 273.384 2.208 20 30 CEEDLO C=C(C)CN(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000183618773 329251264 /nfs/dbraw/zinc/25/12/64/329251264.db2.gz HKTBAYSALMPSFO-UHFFFAOYSA-N 1 2 272.352 2.360 20 30 CEEDLO C=C(C)COCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195076877 329690200 /nfs/dbraw/zinc/69/02/00/329690200.db2.gz VZFIDABOFZHBLT-AWEZNQCLSA-N 1 2 272.352 2.076 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000527828107 330286780 /nfs/dbraw/zinc/28/67/80/330286780.db2.gz JRSNEYFGXCZGOQ-UHFFFAOYSA-N 1 2 297.362 2.213 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cccc(F)c2)nn1 ZINC000424144674 330289984 /nfs/dbraw/zinc/28/99/84/330289984.db2.gz SRHUSRHCTLFSJK-LLVKDONJSA-N 1 2 260.316 2.454 20 30 CEEDLO N#CC[C@]1(O)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528039104 330303192 /nfs/dbraw/zinc/30/31/92/330303192.db2.gz DJSRBXIVVYUEOW-HNNXBMFYSA-N 1 2 253.305 2.090 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(C)ccn2)nn1 ZINC000424293771 330335417 /nfs/dbraw/zinc/33/54/17/330335417.db2.gz JGCQBFRJXAXOFI-GFCCVEGCSA-N 1 2 257.341 2.018 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccncc2Cl)nn1 ZINC000424301083 330337860 /nfs/dbraw/zinc/33/78/60/330337860.db2.gz ZJVNFNXCRNYWAQ-SNVBAGLBSA-N 1 2 277.759 2.363 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC#N ZINC000120113941 330384571 /nfs/dbraw/zinc/38/45/71/330384571.db2.gz LGSQCFAWDMSRHK-RYUDHWBXSA-N 1 2 267.373 2.183 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cc2ccccc2o1 ZINC000520820145 330462199 /nfs/dbraw/zinc/46/21/99/330462199.db2.gz ZSVWMPYTSCOLOL-QGZVFWFLSA-N 1 2 299.374 2.325 20 30 CEEDLO C=CCOC[C@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OC ZINC000443065774 330793500 /nfs/dbraw/zinc/79/35/00/330793500.db2.gz IONVMDVOFKCIQG-MCIGGMRASA-N 1 2 291.338 2.144 20 30 CEEDLO C=CC[C@H]1N(C(=O)[C@H](C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444630751 330815756 /nfs/dbraw/zinc/81/57/56/330815756.db2.gz IITZUJAJFSUZGN-LSDHHAIUSA-N 1 2 294.439 2.300 20 30 CEEDLO CC[N@H+](CC(=O)N1CCCCCC1)CC1(C#N)CCC1 ZINC000450991334 331010806 /nfs/dbraw/zinc/01/08/06/331010806.db2.gz MIWWYLZEOKHNAU-UHFFFAOYSA-N 1 2 277.412 2.405 20 30 CEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)CC1(C#N)CCC1 ZINC000450991334 331010807 /nfs/dbraw/zinc/01/08/07/331010807.db2.gz MIWWYLZEOKHNAU-UHFFFAOYSA-N 1 2 277.412 2.405 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453183117 331098328 /nfs/dbraw/zinc/09/83/28/331098328.db2.gz NKOZMWZEVVLTHI-CYBMUJFWSA-N 1 2 298.390 2.040 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000455365229 331167218 /nfs/dbraw/zinc/16/72/18/331167218.db2.gz KBACBLKLJHJBIV-UHFFFAOYSA-N 1 2 272.352 2.346 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456408922 331192292 /nfs/dbraw/zinc/19/22/92/331192292.db2.gz ZOHSJPWPQUOABI-VXGBXAGGSA-N 1 2 265.357 2.061 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456441059 331192818 /nfs/dbraw/zinc/19/28/18/331192818.db2.gz ZCFAHEQJFOEJBE-RYUDHWBXSA-N 1 2 270.336 2.306 20 30 CEEDLO C=C(CC)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000456814902 331205436 /nfs/dbraw/zinc/20/54/36/331205436.db2.gz WMXNWBBLXZOSDP-UHFFFAOYSA-N 1 2 288.391 2.215 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000459457923 331282311 /nfs/dbraw/zinc/28/23/11/331282311.db2.gz DWKNWTHUNLISNW-BXKDBHETSA-N 1 2 279.290 2.185 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459682749 331294065 /nfs/dbraw/zinc/29/40/65/331294065.db2.gz SYNXOTGYNZMKNA-UHFFFAOYSA-N 1 2 264.756 2.000 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459682749 331294066 /nfs/dbraw/zinc/29/40/66/331294066.db2.gz SYNXOTGYNZMKNA-UHFFFAOYSA-N 1 2 264.756 2.000 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000489451936 332053670 /nfs/dbraw/zinc/05/36/70/332053670.db2.gz VDXQENAIXBEWAE-MNOVXSKESA-N 1 2 276.302 2.190 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000489451936 332053671 /nfs/dbraw/zinc/05/36/71/332053671.db2.gz VDXQENAIXBEWAE-MNOVXSKESA-N 1 2 276.302 2.190 20 30 CEEDLO C#CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000490840623 332119798 /nfs/dbraw/zinc/11/97/98/332119798.db2.gz PDILTZGCZVPZAT-AWEZNQCLSA-N 1 2 285.391 2.240 20 30 CEEDLO C#CC[N@H+](CC#CC)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000490865907 332121867 /nfs/dbraw/zinc/12/18/67/332121867.db2.gz JXIZDUONPMMTDL-UHFFFAOYSA-N 1 2 296.370 2.176 20 30 CEEDLO C#CC[N@@H+](CC#CC)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000490865907 332121869 /nfs/dbraw/zinc/12/18/69/332121869.db2.gz JXIZDUONPMMTDL-UHFFFAOYSA-N 1 2 296.370 2.176 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000491462062 332216033 /nfs/dbraw/zinc/21/60/33/332216033.db2.gz GREBUWMTBFUFSC-AWEZNQCLSA-N 1 2 292.766 2.003 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000491462062 332216035 /nfs/dbraw/zinc/21/60/35/332216035.db2.gz GREBUWMTBFUFSC-AWEZNQCLSA-N 1 2 292.766 2.003 20 30 CEEDLO N#CC1(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000491505883 332224948 /nfs/dbraw/zinc/22/49/48/332224948.db2.gz MYNAHWODEBERIT-DAXSKMNVSA-N 1 2 292.342 2.448 20 30 CEEDLO C#CC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000491537914 332232735 /nfs/dbraw/zinc/23/27/35/332232735.db2.gz UWXPOSNJNUTGFK-UHFFFAOYSA-N 1 2 278.153 2.390 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000491537914 332232734 /nfs/dbraw/zinc/23/27/34/332232734.db2.gz UWXPOSNJNUTGFK-UHFFFAOYSA-N 1 2 278.153 2.390 20 30 CEEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)C ZINC000491623691 332248292 /nfs/dbraw/zinc/24/82/92/332248292.db2.gz HNNAMBLKFMCZST-QGZVFWFLSA-N 1 2 295.386 2.248 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000491659383 332270064 /nfs/dbraw/zinc/27/00/64/332270064.db2.gz MGDVOJMVCQEEIX-LBPRGKRZSA-N 1 2 257.312 2.465 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000491659383 332270065 /nfs/dbraw/zinc/27/00/65/332270065.db2.gz MGDVOJMVCQEEIX-LBPRGKRZSA-N 1 2 257.312 2.465 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000491689864 332287178 /nfs/dbraw/zinc/28/71/78/332287178.db2.gz KRPCXBLGAAPMSY-UHFFFAOYSA-N 1 2 264.275 2.001 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000491689864 332287180 /nfs/dbraw/zinc/28/71/80/332287180.db2.gz KRPCXBLGAAPMSY-UHFFFAOYSA-N 1 2 264.275 2.001 20 30 CEEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH+]cn1CC ZINC000491728675 332311300 /nfs/dbraw/zinc/31/13/00/332311300.db2.gz BGSBSLNUGSMJKL-HNNXBMFYSA-N 1 2 280.331 2.103 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491749296 332326352 /nfs/dbraw/zinc/32/63/52/332326352.db2.gz QAPZROUFAXIGNE-CQSZACIVSA-N 1 2 282.347 2.083 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000491765946 332334346 /nfs/dbraw/zinc/33/43/46/332334346.db2.gz CSRQVVNIZZBKQO-CYBMUJFWSA-N 1 2 298.390 2.398 20 30 CEEDLO C#C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc(Cl)cc1 ZINC000491773517 332339475 /nfs/dbraw/zinc/33/94/75/332339475.db2.gz VHUUDJCQEILJTD-CQSZACIVSA-N 1 2 290.794 2.472 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000491810286 332362945 /nfs/dbraw/zinc/36/29/45/332362945.db2.gz YZJJCYGXCNPDAC-AWEZNQCLSA-N 1 2 272.392 2.425 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000491810286 332362947 /nfs/dbraw/zinc/36/29/47/332362947.db2.gz YZJJCYGXCNPDAC-AWEZNQCLSA-N 1 2 272.392 2.425 20 30 CEEDLO C#CCN(CC#N)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000491810314 332363005 /nfs/dbraw/zinc/36/30/05/332363005.db2.gz ZEEZGFJBQDVARC-UHFFFAOYSA-N 1 2 264.332 2.140 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000494722045 332484439 /nfs/dbraw/zinc/48/44/39/332484439.db2.gz OLBYBFVTTXCMMQ-QWHCGFSZSA-N 1 2 262.357 2.022 20 30 CEEDLO COC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000575741524 335110862 /nfs/dbraw/zinc/11/08/62/335110862.db2.gz MMGAMYQRKRLJTN-ZFWWWQNUSA-N 1 2 257.337 2.407 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000192235848 333233563 /nfs/dbraw/zinc/23/35/63/333233563.db2.gz LAXGKKYZPARPOP-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000192235848 333233564 /nfs/dbraw/zinc/23/35/64/333233564.db2.gz LAXGKKYZPARPOP-UHFFFAOYSA-N 1 2 250.729 2.152 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000193995166 333263146 /nfs/dbraw/zinc/26/31/46/333263146.db2.gz KZCIHMNTNASJNW-UHFFFAOYSA-N 1 2 286.253 2.089 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000193995166 333263147 /nfs/dbraw/zinc/26/31/47/333263147.db2.gz KZCIHMNTNASJNW-UHFFFAOYSA-N 1 2 286.253 2.089 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000546228538 334020749 /nfs/dbraw/zinc/02/07/49/334020749.db2.gz WUOXFFUBNPCEBX-LBPRGKRZSA-N 1 2 284.363 2.407 20 30 CEEDLO CC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000576263585 335179233 /nfs/dbraw/zinc/17/92/33/335179233.db2.gz FZEIHMIHZREBEA-GDBMZVCRSA-N 1 2 273.380 2.140 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000079831843 334163187 /nfs/dbraw/zinc/16/31/87/334163187.db2.gz WHDAXBUVPGGXPZ-ZDUSSCGKSA-N 1 2 291.370 2.266 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000079831843 334163188 /nfs/dbraw/zinc/16/31/88/334163188.db2.gz WHDAXBUVPGGXPZ-ZDUSSCGKSA-N 1 2 291.370 2.266 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081043363 334177130 /nfs/dbraw/zinc/17/71/30/334177130.db2.gz HMXHYIOGYQBMBS-HNNXBMFYSA-N 1 2 277.412 2.403 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081043363 334177131 /nfs/dbraw/zinc/17/71/31/334177131.db2.gz HMXHYIOGYQBMBS-HNNXBMFYSA-N 1 2 277.412 2.403 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+]c2ccc(-n3ccnn3)cc2)C1 ZINC000555951230 334492497 /nfs/dbraw/zinc/49/24/97/334492497.db2.gz NITRSRJDBGMTKB-WCQYABFASA-N 1 2 253.309 2.371 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000568462976 334826008 /nfs/dbraw/zinc/82/60/08/334826008.db2.gz ZMSMNEWZBGQNBC-WBVHZDCISA-N 1 2 285.391 2.067 20 30 CEEDLO 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UCEUCADLARUZMO-GXFFZTMASA-N 1 2 267.336 2.405 20 30 CEEDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1nncn1C ZINC000903063038 634951956 /nfs/dbraw/zinc/95/19/56/634951956.db2.gz BGJAQXAAJQZIBO-SMDDNHRTSA-N 1 2 284.367 2.130 20 30 CEEDLO CC(C)C[C@H](C(=O)NCc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000822949636 635033656 /nfs/dbraw/zinc/03/36/56/635033656.db2.gz OCVMKYXOYQIFFR-OAHLLOKOSA-N 1 2 297.362 2.053 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826724874 635829839 /nfs/dbraw/zinc/82/98/39/635829839.db2.gz RPQJUMGMEBJQBA-XJKSGUPXSA-N 1 2 288.391 2.271 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826724874 635829843 /nfs/dbraw/zinc/82/98/43/635829843.db2.gz RPQJUMGMEBJQBA-XJKSGUPXSA-N 1 2 288.391 2.271 20 30 CEEDLO COC(=O)/C=C\c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000827650874 636376210 /nfs/dbraw/zinc/37/62/10/636376210.db2.gz WPSKLMAYMFVGKY-YVACAVLKSA-N 1 2 274.320 2.201 20 30 CEEDLO COC(=O)/C=C\c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000827650874 636376215 /nfs/dbraw/zinc/37/62/15/636376215.db2.gz WPSKLMAYMFVGKY-YVACAVLKSA-N 1 2 274.320 2.201 20 30 CEEDLO C=CC[C@@H]([NH2+]CCCN1CCc2ccccc21)C(=O)OC ZINC000905750960 636412603 /nfs/dbraw/zinc/41/26/03/636412603.db2.gz PGMWFTVLXANIHJ-OAHLLOKOSA-N 1 2 288.391 2.147 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1ccnc2ccccc12)C(=O)OC ZINC000905781797 636438367 /nfs/dbraw/zinc/43/83/67/636438367.db2.gz ZJJMLLFLUOQORW-MRXNPFEDSA-N 1 2 284.359 2.485 20 30 CEEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)C1(CO)CC1 ZINC000827903458 636456671 /nfs/dbraw/zinc/45/66/71/636456671.db2.gz HUIVOGJMACAELH-UHFFFAOYSA-N 1 2 279.767 2.309 20 30 CEEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)C1(CO)CC1 ZINC000827903458 636456674 /nfs/dbraw/zinc/45/66/74/636456674.db2.gz HUIVOGJMACAELH-UHFFFAOYSA-N 1 2 279.767 2.309 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)OC ZINC000905771579 636457346 /nfs/dbraw/zinc/45/73/46/636457346.db2.gz SYMTUZCLVIJDNN-BPLDGKMQSA-N 1 2 290.363 2.009 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000905788671 636476569 /nfs/dbraw/zinc/47/65/69/636476569.db2.gz PGEPIKDHOZUOTK-ZDUSSCGKSA-N 1 2 292.346 2.072 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN(Cc2ccncc2C#N)C1 ZINC000828440861 636597670 /nfs/dbraw/zinc/59/76/70/636597670.db2.gz WOHGDJVGGQDGLH-AWEZNQCLSA-N 1 2 281.363 2.066 20 30 CEEDLO N#Cc1sccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000906468351 636750938 /nfs/dbraw/zinc/75/09/38/636750938.db2.gz JWDQKXQYOBWFLR-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO N#Cc1sccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000906542914 636781117 /nfs/dbraw/zinc/78/11/17/636781117.db2.gz VNZFDAYNCGNHBW-JTQLQIEISA-N 1 2 286.360 2.363 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000829793715 636931665 /nfs/dbraw/zinc/93/16/65/636931665.db2.gz KFFKVROUGWLKFY-LBPRGKRZSA-N 1 2 291.782 2.409 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000829793715 636931666 /nfs/dbraw/zinc/93/16/66/636931666.db2.gz KFFKVROUGWLKFY-LBPRGKRZSA-N 1 2 291.782 2.409 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc2cnccc2o1 ZINC000829800785 636932336 /nfs/dbraw/zinc/93/23/36/636932336.db2.gz BFEQRJZSIVRZBC-OCCSQVGLSA-N 1 2 297.358 2.103 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc2cnccc2o1 ZINC000829800785 636932337 /nfs/dbraw/zinc/93/23/37/636932337.db2.gz BFEQRJZSIVRZBC-OCCSQVGLSA-N 1 2 297.358 2.103 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000907903923 637162254 /nfs/dbraw/zinc/16/22/54/637162254.db2.gz HBWDHABGCRHDEN-JSGCOSHPSA-N 1 2 271.320 2.254 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](SC)C1 ZINC000830885656 637188225 /nfs/dbraw/zinc/18/82/25/637188225.db2.gz ZNVZLRRYLTUPGV-KGLIPLIRSA-N 1 2 290.388 2.210 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](SC)C1 ZINC000830885656 637188230 /nfs/dbraw/zinc/18/82/30/637188230.db2.gz ZNVZLRRYLTUPGV-KGLIPLIRSA-N 1 2 290.388 2.210 20 30 CEEDLO C=C1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000830985329 637209787 /nfs/dbraw/zinc/20/97/87/637209787.db2.gz QKELYYADMZEAKI-GFCCVEGCSA-N 1 2 261.369 2.451 20 30 CEEDLO C=C1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000830985329 637209792 /nfs/dbraw/zinc/20/97/92/637209792.db2.gz QKELYYADMZEAKI-GFCCVEGCSA-N 1 2 261.369 2.451 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832380061 637561390 /nfs/dbraw/zinc/56/13/90/637561390.db2.gz YZHIFCDFVKHNAL-GFCCVEGCSA-N 1 2 284.425 2.129 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832380061 637561395 /nfs/dbraw/zinc/56/13/95/637561395.db2.gz YZHIFCDFVKHNAL-GFCCVEGCSA-N 1 2 284.425 2.129 20 30 CEEDLO COCC[C@@H](C[N@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000876690219 650401674 /nfs/dbraw/zinc/40/16/74/650401674.db2.gz HPMKVRVUYCCTED-STQMWFEESA-N 1 2 299.415 2.150 20 30 CEEDLO COCC[C@@H](C[N@@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000876690219 650401675 /nfs/dbraw/zinc/40/16/75/650401675.db2.gz HPMKVRVUYCCTED-STQMWFEESA-N 1 2 299.415 2.150 20 30 CEEDLO c1cn(-c2ccc(CN=Nc3cnccn3)cc2)c[nH+]1 ZINC000912961383 639125483 /nfs/dbraw/zinc/12/54/83/639125483.db2.gz HDZCJQCMVHSKEJ-UHFFFAOYSA-N 1 2 264.292 2.108 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C#CC2CC2)c1C ZINC000837377371 639208398 /nfs/dbraw/zinc/20/83/98/639208398.db2.gz JZQXHMNFVUPXMG-UHFFFAOYSA-N 1 2 272.348 2.079 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000837390407 639212249 /nfs/dbraw/zinc/21/22/49/639212249.db2.gz FJBUAZURFMWAHL-LBPRGKRZSA-N 1 2 259.353 2.165 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000164657479 639386150 /nfs/dbraw/zinc/38/61/50/639386150.db2.gz SHCUNGMTKMTALE-UHFFFAOYSA-N 1 2 274.114 2.064 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000840607088 639508465 /nfs/dbraw/zinc/50/84/65/639508465.db2.gz QMWFLXNIRPHPSF-JKSUJKDBSA-N 1 2 295.342 2.181 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000174051972 639895141 /nfs/dbraw/zinc/89/51/41/639895141.db2.gz ZHPJMTGOTOYCCE-UHFFFAOYSA-N 1 2 291.350 2.350 20 30 CEEDLO CCc1ccc(C=NOCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000842018407 639919990 /nfs/dbraw/zinc/91/99/90/639919990.db2.gz VMQRJNNVFYTFPJ-CALCHBBNSA-N 1 2 288.391 2.463 20 30 CEEDLO CCc1ccc(C=NOCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000842018407 639919992 /nfs/dbraw/zinc/91/99/92/639919992.db2.gz VMQRJNNVFYTFPJ-CALCHBBNSA-N 1 2 288.391 2.463 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3cnco3)CCC[C@@H]12 ZINC000992013873 639945786 /nfs/dbraw/zinc/94/57/86/639945786.db2.gz QQNVYHUATSZMBT-OCCSQVGLSA-N 1 2 295.770 2.154 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3cnco3)CCC[C@@H]12 ZINC000992013873 639945787 /nfs/dbraw/zinc/94/57/87/639945787.db2.gz QQNVYHUATSZMBT-OCCSQVGLSA-N 1 2 295.770 2.154 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001007105672 640031137 /nfs/dbraw/zinc/03/11/37/640031137.db2.gz KFCRNHPQDINFMU-ZDUSSCGKSA-N 1 2 268.788 2.430 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001007105672 640031138 /nfs/dbraw/zinc/03/11/38/640031138.db2.gz KFCRNHPQDINFMU-ZDUSSCGKSA-N 1 2 268.788 2.430 20 30 CEEDLO N#CC1CC[NH+](CN2C[C@@H](C3CCCC3)CC2=O)CC1 ZINC000842594596 640111076 /nfs/dbraw/zinc/11/10/76/640111076.db2.gz OHLUIEVXURATLP-HNNXBMFYSA-N 1 2 275.396 2.218 20 30 CEEDLO C#CCC1(NC(=O)NCCCn2cc[nH+]c2)CCCCC1 ZINC000913835943 640128539 /nfs/dbraw/zinc/12/85/39/640128539.db2.gz BTKLAXSQWPULAW-UHFFFAOYSA-N 1 2 288.395 2.299 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)c1cc2n(n1)CCCC2)[C@H]1CCCO1 ZINC000842870143 640210831 /nfs/dbraw/zinc/21/08/31/640210831.db2.gz UGWZQYAIYRFHRI-IVMMDQJWSA-N 1 2 273.380 2.051 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC2)[C@@H]1C ZINC000992972676 640387481 /nfs/dbraw/zinc/38/74/81/640387481.db2.gz FFMDZBLOLWMMCH-CMPLNLGQSA-N 1 2 256.777 2.118 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC2)[C@@H]1C ZINC000992972676 640387489 /nfs/dbraw/zinc/38/74/89/640387489.db2.gz FFMDZBLOLWMMCH-CMPLNLGQSA-N 1 2 256.777 2.118 20 30 CEEDLO CCCCCCCCN1CC[N@H+](CCO)C[C@@H]1C ZINC000832782370 640399893 /nfs/dbraw/zinc/39/98/93/640399893.db2.gz HGMYHKQUCWOUQG-HNNXBMFYSA-N 1 2 256.434 2.345 20 30 CEEDLO CCCCCCCCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000832782370 640399896 /nfs/dbraw/zinc/39/98/96/640399896.db2.gz HGMYHKQUCWOUQG-HNNXBMFYSA-N 1 2 256.434 2.345 20 30 CEEDLO C#CC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000843426797 640426519 /nfs/dbraw/zinc/42/65/19/640426519.db2.gz KNYVIJMGBJHOIG-UHFFFAOYSA-N 1 2 282.185 2.028 20 30 CEEDLO CCc1ccc(C[NH+]2CCN(C(=O)C#CC3CC3)CC2)cc1 ZINC000915047215 640503782 /nfs/dbraw/zinc/50/37/82/640503782.db2.gz ZPWKEUNPCKZLJR-UHFFFAOYSA-N 1 2 296.414 2.307 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc(Cl)s2)[C@@H]1C ZINC000993596267 640660354 /nfs/dbraw/zinc/66/03/54/640660354.db2.gz YUMGVJSYURDTOV-UWVGGRQHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(Cl)s2)[C@@H]1C ZINC000993596267 640660363 /nfs/dbraw/zinc/66/03/63/640660363.db2.gz YUMGVJSYURDTOV-UWVGGRQHSA-N 1 2 297.811 2.012 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001015692470 640688384 /nfs/dbraw/zinc/68/83/84/640688384.db2.gz HBLIAMXWIXFKHL-VXGBXAGGSA-N 1 2 282.771 2.326 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001015692470 640688387 /nfs/dbraw/zinc/68/83/87/640688387.db2.gz HBLIAMXWIXFKHL-VXGBXAGGSA-N 1 2 282.771 2.326 20 30 CEEDLO C[NH+]1CCN(N=Cc2ccc(N3CCCCC3)s2)CC1 ZINC000916248022 640746656 /nfs/dbraw/zinc/74/66/56/640746656.db2.gz FKRPFFDZLWWPEN-UHFFFAOYSA-N 1 2 292.452 2.320 20 30 CEEDLO C=C(Br)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845282639 640943679 /nfs/dbraw/zinc/94/36/79/640943679.db2.gz SWFJGEAONAJXIM-VIFPVBQESA-N 1 2 273.130 2.286 20 30 CEEDLO COc1ccc(COC(=O)C[C@H](C)n2cc[nH+]c2)cc1C#N ZINC000845283371 640944854 /nfs/dbraw/zinc/94/48/54/640944854.db2.gz VZVLADWPSSCAST-LBPRGKRZSA-N 1 2 299.330 2.458 20 30 CEEDLO CC(C)(C)[C@H](C#N)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845512395 640990238 /nfs/dbraw/zinc/99/02/38/640990238.db2.gz VZGSYSAZIIVBEH-LBPRGKRZSA-N 1 2 275.352 2.243 20 30 CEEDLO C=C(C)CONC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000845605790 641013800 /nfs/dbraw/zinc/01/38/00/641013800.db2.gz AVKQTWGFVXAYMH-UHFFFAOYSA-N 1 2 294.399 2.375 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)CCCCC#N)c1C ZINC000846845985 641450632 /nfs/dbraw/zinc/45/06/32/641450632.db2.gz SEMSKMASVPZIBF-UHFFFAOYSA-N 1 2 275.352 2.407 20 30 CEEDLO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](CC)CC#N ZINC000846990960 641513057 /nfs/dbraw/zinc/51/30/57/641513057.db2.gz GFBIICYVKMXHQA-QWHCGFSZSA-N 1 2 253.390 2.353 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1CCCCCCC1 ZINC000846994315 641514435 /nfs/dbraw/zinc/51/44/35/641514435.db2.gz PVTMRIKCBKUVEG-CYBMUJFWSA-N 1 2 265.401 2.497 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000847021681 641526661 /nfs/dbraw/zinc/52/66/61/641526661.db2.gz ALSICHIIMKZECK-NSHDSACASA-N 1 2 278.302 2.249 20 30 CEEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000847021681 641526668 /nfs/dbraw/zinc/52/66/68/641526668.db2.gz ALSICHIIMKZECK-NSHDSACASA-N 1 2 278.302 2.249 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000847025108 641531875 /nfs/dbraw/zinc/53/18/75/641531875.db2.gz VCBPMGNWSLVVIM-CQSZACIVSA-N 1 2 266.348 2.113 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000847025108 641531879 /nfs/dbraw/zinc/53/18/79/641531879.db2.gz VCBPMGNWSLVVIM-CQSZACIVSA-N 1 2 266.348 2.113 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000847032742 641539359 /nfs/dbraw/zinc/53/93/59/641539359.db2.gz DOTOEZCEHXAYNG-NSHDSACASA-N 1 2 260.293 2.146 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000847032742 641539363 /nfs/dbraw/zinc/53/93/63/641539363.db2.gz DOTOEZCEHXAYNG-NSHDSACASA-N 1 2 260.293 2.146 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847765315 641764281 /nfs/dbraw/zinc/76/42/81/641764281.db2.gz DPZMNAPIDAIJKH-LBPRGKRZSA-N 1 2 283.331 2.239 20 30 CEEDLO C#CCOc1ccccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847765315 641764282 /nfs/dbraw/zinc/76/42/82/641764282.db2.gz 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C#CC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1)C(=O)OC ZINC000839167380 644176724 /nfs/dbraw/zinc/17/67/24/644176724.db2.gz FRUGJLGWUNLCHE-IOASZLSFSA-N 1 2 289.375 2.342 20 30 CEEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839464630 644240866 /nfs/dbraw/zinc/24/08/66/644240866.db2.gz YVNDIVZDCBPWPT-NSHDSACASA-N 1 2 270.336 2.459 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839464630 644240870 /nfs/dbraw/zinc/24/08/70/644240870.db2.gz YVNDIVZDCBPWPT-NSHDSACASA-N 1 2 270.336 2.459 20 30 CEEDLO C#CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000753897229 644291537 /nfs/dbraw/zinc/29/15/37/644291537.db2.gz PCELGCQNKIQGHI-UHFFFAOYSA-N 1 2 270.376 2.087 20 30 CEEDLO Cc1cc(N=NCc2c[nH+]c3c(C)cccn23)nc(C)n1 ZINC000755648174 644540297 /nfs/dbraw/zinc/54/02/97/644540297.db2.gz JTFVUQNVZHVHJP-UHFFFAOYSA-N 1 2 280.335 2.496 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCOc1ccccc1F ZINC000877922655 650948540 /nfs/dbraw/zinc/94/85/40/650948540.db2.gz 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/nfs/dbraw/zinc/90/25/39/644902539.db2.gz NZDKPJHVIWVXMP-ZDUSSCGKSA-N 1 2 279.343 2.124 20 30 CEEDLO C#CCOc1cccc(-c2noc(CCn3cc[nH+]c3)n2)c1 ZINC000761783550 645316940 /nfs/dbraw/zinc/31/69/40/645316940.db2.gz WWVBKUFFTMDOPE-UHFFFAOYSA-N 1 2 294.314 2.188 20 30 CEEDLO C=CCNC(=S)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000764928124 645711977 /nfs/dbraw/zinc/71/19/77/645711977.db2.gz HLABIBHTMCYRKZ-LBPRGKRZSA-N 1 2 295.477 2.487 20 30 CEEDLO C#C[C@@H](CC)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000768055127 646077047 /nfs/dbraw/zinc/07/70/47/646077047.db2.gz HEJKLWJAXFAXLW-BBRMVZONSA-N 1 2 271.360 2.388 20 30 CEEDLO C#C[C@@H](CC)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000768055127 646077053 /nfs/dbraw/zinc/07/70/53/646077053.db2.gz HEJKLWJAXFAXLW-BBRMVZONSA-N 1 2 271.360 2.388 20 30 CEEDLO C#C[C@H](CC)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768056077 646078088 /nfs/dbraw/zinc/07/80/88/646078088.db2.gz LXKCQBZJVPMWQZ-GFCCVEGCSA-N 1 2 299.286 2.349 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000769960918 646340502 /nfs/dbraw/zinc/34/05/02/646340502.db2.gz DMAUDSXGGYRJLK-AWEZNQCLSA-N 1 2 285.391 2.179 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000769960918 646340506 /nfs/dbraw/zinc/34/05/06/646340506.db2.gz DMAUDSXGGYRJLK-AWEZNQCLSA-N 1 2 285.391 2.179 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000769962937 646340652 /nfs/dbraw/zinc/34/06/52/646340652.db2.gz LQBZBMPTSMNZGR-GFCCVEGCSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000769962937 646340659 /nfs/dbraw/zinc/34/06/59/646340659.db2.gz LQBZBMPTSMNZGR-GFCCVEGCSA-N 1 2 255.321 2.499 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)C=C(CCC)CCC)CC1 ZINC000770754954 646435288 /nfs/dbraw/zinc/43/52/88/646435288.db2.gz YMEABMQLPUKSDP-UHFFFAOYSA-N 1 2 262.397 2.290 20 30 CEEDLO C(=NNCc1ccccc1)c1cccc2[nH+]ccn21 ZINC000771088345 646489338 /nfs/dbraw/zinc/48/93/38/646489338.db2.gz LCRACHLSSUONHC-UHFFFAOYSA-N 1 2 250.305 2.458 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000862564334 646503325 /nfs/dbraw/zinc/50/33/25/646503325.db2.gz XOTPWLXYGFQPEN-HNNXBMFYSA-N 1 2 293.370 2.417 20 30 CEEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cnccn1 ZINC000119141906 646591013 /nfs/dbraw/zinc/59/10/13/646591013.db2.gz XFLOWXVXKLTLDN-SNAWJCMRSA-N 1 2 250.261 2.020 20 30 CEEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1OC1CC1 ZINC000863109400 646638956 /nfs/dbraw/zinc/63/89/56/646638956.db2.gz NDPFTESXDWTRIA-UHFFFAOYSA-N 1 2 286.335 2.416 20 30 CEEDLO CC(=Nn1cccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000863165708 646661975 /nfs/dbraw/zinc/66/19/75/646661975.db2.gz LSRUILUYKRXAPG-INIZCTEOSA-N 1 2 284.363 2.008 20 30 CEEDLO CC(=Nn1cccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000863165708 646661982 /nfs/dbraw/zinc/66/19/82/646661982.db2.gz LSRUILUYKRXAPG-INIZCTEOSA-N 1 2 284.363 2.008 20 30 CEEDLO COC(=O)CCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000863454891 646728395 /nfs/dbraw/zinc/72/83/95/646728395.db2.gz OLMOVZYYJIVCAQ-UHFFFAOYSA-N 1 2 284.743 2.320 20 30 CEEDLO COC1CC(O[NH+]=C(N)c2ccc(Cl)cc2)C1 ZINC000863454973 646729088 /nfs/dbraw/zinc/72/90/88/646729088.db2.gz QTAJAFHHBXOAIA-UHFFFAOYSA-N 1 2 254.717 2.154 20 30 CEEDLO C#C[C@H](C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000773596553 646761659 /nfs/dbraw/zinc/76/16/59/646761659.db2.gz DLOAVACEMIPVGC-DZGCQCFKSA-N 1 2 296.374 2.025 20 30 CEEDLO C=CCNC(=S)N[NH+]=C1CCCNc2ccccc21 ZINC000774319020 646833680 /nfs/dbraw/zinc/83/36/80/646833680.db2.gz BKWFGDXPBJMHBS-UHFFFAOYSA-N 1 2 274.393 2.247 20 30 CEEDLO C#C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000775796275 646994484 /nfs/dbraw/zinc/99/44/84/646994484.db2.gz UWTQOCNCDUGJRB-GXTWGEPZSA-N 1 2 278.283 2.004 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CCCO1 ZINC000775998045 647015222 /nfs/dbraw/zinc/01/52/22/647015222.db2.gz CNZYVXYHHGMDPO-QWHCGFSZSA-N 1 2 283.730 2.455 20 30 CEEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000779878236 647368282 /nfs/dbraw/zinc/36/82/82/647368282.db2.gz CDTDHFWECSZHLH-KBPBESRZSA-N 1 2 275.396 2.361 20 30 CEEDLO Cc1nc2[nH]ccc2c(NCc2ccc(C#N)cn2)[nH+]1 ZINC000780612039 647451539 /nfs/dbraw/zinc/45/15/39/647451539.db2.gz IBABERYSSPTCBJ-UHFFFAOYSA-N 1 2 264.292 2.145 20 30 CEEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928160 647539587 /nfs/dbraw/zinc/53/95/87/647539587.db2.gz RTFUPOFLSRFOHA-GFCCVEGCSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928160 647539593 /nfs/dbraw/zinc/53/95/93/647539593.db2.gz RTFUPOFLSRFOHA-GFCCVEGCSA-N 1 2 292.314 2.312 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](CCC#N)CC(C)C)[nH]1 ZINC000781894051 647569237 /nfs/dbraw/zinc/56/92/37/647569237.db2.gz DVUXLWUXXGBDLE-UHFFFAOYSA-N 1 2 263.341 2.173 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)CC(C)C)[nH]1 ZINC000781894051 647569239 /nfs/dbraw/zinc/56/92/39/647569239.db2.gz DVUXLWUXXGBDLE-UHFFFAOYSA-N 1 2 263.341 2.173 20 30 CEEDLO CC(C)S(=O)(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000782192919 647599304 /nfs/dbraw/zinc/59/93/04/647599304.db2.gz WFJXNAPCVFCMIX-ZDUSSCGKSA-N 1 2 294.420 2.374 20 30 CEEDLO CC(C)S(=O)(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000782192919 647599309 /nfs/dbraw/zinc/59/93/09/647599309.db2.gz WFJXNAPCVFCMIX-ZDUSSCGKSA-N 1 2 294.420 2.374 20 30 CEEDLO N#CCc1ccccc1C(=O)OCCCn1cc[nH+]c1 ZINC000782605359 647642394 /nfs/dbraw/zinc/64/23/94/647642394.db2.gz QTOUNKMADAKVAV-UHFFFAOYSA-N 1 2 269.304 2.196 20 30 CEEDLO COCCSCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000783010858 647669991 /nfs/dbraw/zinc/66/99/91/647669991.db2.gz RBOABGYELUMDBB-UHFFFAOYSA-N 1 2 286.372 2.232 20 30 CEEDLO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866238525 647686655 /nfs/dbraw/zinc/68/66/55/647686655.db2.gz PJJABSBSZZZSQA-NWDGAFQWSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866280696 647714943 /nfs/dbraw/zinc/71/49/43/647714943.db2.gz YDBDQAXCTQBJKQ-YRGRVCCFSA-N 1 2 290.363 2.108 20 30 CEEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)(C)O ZINC000866363991 647757059 /nfs/dbraw/zinc/75/70/59/647757059.db2.gz PGQGMHPRJFSUBI-GWCFXTLKSA-N 1 2 262.353 2.464 20 30 CEEDLO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866364627 647758017 /nfs/dbraw/zinc/75/80/17/647758017.db2.gz RFHXJPTVBATLMK-MNOVXSKESA-N 1 2 262.353 2.464 20 30 CEEDLO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866394048 647771670 /nfs/dbraw/zinc/77/16/70/647771670.db2.gz SLUJGSKENAFVNM-GXTWGEPZSA-N 1 2 273.380 2.399 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1sccc1CC#N ZINC000866744903 647889035 /nfs/dbraw/zinc/88/90/35/647889035.db2.gz ROBKUHNHIMYQHF-UHFFFAOYSA-N 1 2 288.376 2.173 20 30 CEEDLO C#C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000868021519 648023973 /nfs/dbraw/zinc/02/39/73/648023973.db2.gz CHXWSOQLLHNHPR-INIZCTEOSA-N 1 2 281.359 2.189 20 30 CEEDLO Oc1ccccc1/C=[NH+]/CCc1nnc2ccccn21 ZINC000017309531 648331657 /nfs/dbraw/zinc/33/16/57/648331657.db2.gz TWCRGNWLLZEFDF-LFIBNONCSA-N 1 2 266.304 2.097 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cc2c(c(Cl)c1)OCO2 ZINC000790300232 648403958 /nfs/dbraw/zinc/40/39/58/648403958.db2.gz PNGJJHWVVKECRY-UHFFFAOYSA-N 1 2 278.699 2.248 20 30 CEEDLO CCOc1ccc(C=NNc2[nH+]ccn2C)cc1F ZINC000790306502 648405776 /nfs/dbraw/zinc/40/57/76/648405776.db2.gz ZIKHXMRULHRDHT-UHFFFAOYSA-N 1 2 262.288 2.404 20 30 CEEDLO Cc1ccnc(CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000790488915 648422337 /nfs/dbraw/zinc/42/23/37/648422337.db2.gz IHRYOKUNPBOWJP-UHFFFAOYSA-N 1 2 259.284 2.366 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C#N)c(Cl)c1 ZINC000793249460 648730347 /nfs/dbraw/zinc/73/03/47/648730347.db2.gz HSCNOINVDVBZQW-UHFFFAOYSA-N 1 2 289.722 2.345 20 30 CEEDLO C=CCC[N@@H+](C)Cn1nnc(-c2ccc(F)c(C)c2)n1 ZINC000794646090 648898220 /nfs/dbraw/zinc/89/82/20/648898220.db2.gz RYVCLKVGBBUCTI-UHFFFAOYSA-N 1 2 275.331 2.253 20 30 CEEDLO C=CCC[N@H+](C)Cn1nnc(-c2ccc(F)c(C)c2)n1 ZINC000794646090 648898223 /nfs/dbraw/zinc/89/82/23/648898223.db2.gz RYVCLKVGBBUCTI-UHFFFAOYSA-N 1 2 275.331 2.253 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000878441200 651097198 /nfs/dbraw/zinc/09/71/98/651097198.db2.gz AVACHHBORQMUPO-NVXWUHKLSA-N 1 2 287.359 2.236 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000878441200 651097200 /nfs/dbraw/zinc/09/72/00/651097200.db2.gz AVACHHBORQMUPO-NVXWUHKLSA-N 1 2 287.359 2.236 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000878599359 651137848 /nfs/dbraw/zinc/13/78/48/651137848.db2.gz XGGHPUYNKCJDSS-ZDUSSCGKSA-N 1 2 261.321 2.486 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC=C(c2ccco2)C1 ZINC000878599359 651137850 /nfs/dbraw/zinc/13/78/50/651137850.db2.gz XGGHPUYNKCJDSS-ZDUSSCGKSA-N 1 2 261.321 2.486 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000878599357 651137981 /nfs/dbraw/zinc/13/79/81/651137981.db2.gz XGGHPUYNKCJDSS-CYBMUJFWSA-N 1 2 261.321 2.486 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC=C(c2ccco2)C1 ZINC000878599357 651137982 /nfs/dbraw/zinc/13/79/82/651137982.db2.gz XGGHPUYNKCJDSS-CYBMUJFWSA-N 1 2 261.321 2.486 20 30 CEEDLO CN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[C@H]1C#N ZINC000878774755 651183479 /nfs/dbraw/zinc/18/34/79/651183479.db2.gz ULANFIULDKSIAQ-AAEUAGOBSA-N 1 2 283.335 2.490 20 30 CEEDLO Cc1c(O)ccc2c(C[NH2+][C@H](C)CC#N)cc(=O)oc12 ZINC000878818969 651192009 /nfs/dbraw/zinc/19/20/09/651192009.db2.gz XBHANOPUUPQMIJ-SECBINFHSA-N 1 2 272.304 2.199 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C(F)(F)F)co2)nn1 ZINC000881374926 651700848 /nfs/dbraw/zinc/70/08/48/651700848.db2.gz WRDXVXSNBRMSRJ-UHFFFAOYSA-N 1 2 298.268 2.051 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)cc1Cl ZINC000884045920 652656199 /nfs/dbraw/zinc/65/61/99/652656199.db2.gz LSLPIDGRAHPMSO-NSHDSACASA-N 1 2 296.754 2.034 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(C(C)C)c1 ZINC000884055922 652671486 /nfs/dbraw/zinc/67/14/86/652671486.db2.gz FSEPSFMTEZJXKP-AWEZNQCLSA-N 1 2 290.363 2.195 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](Nc2nc(C(C)=O)c(C)s2)C1 ZINC000884611397 652943082 /nfs/dbraw/zinc/94/30/82/652943082.db2.gz LCRNMNXRAUWZNL-GFCCVEGCSA-N 1 2 277.393 2.164 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nc(C(C)=O)c(C)s2)C1 ZINC000884611397 652943084 /nfs/dbraw/zinc/94/30/84/652943084.db2.gz LCRNMNXRAUWZNL-GFCCVEGCSA-N 1 2 277.393 2.164 20 30 CEEDLO C=CC[NH+]1CCN([C@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001165031554 721865539 /nfs/dbraw/zinc/86/55/39/721865539.db2.gz NNJKUIVPCHPIHJ-ZDUSSCGKSA-N 1 2 285.750 2.171 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@H]1CC ZINC001087499247 805589036 /nfs/dbraw/zinc/58/90/36/805589036.db2.gz JFUQPPKBIDVRKD-NWDGAFQWSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)no2)[C@H]1CC ZINC001087499247 805589039 /nfs/dbraw/zinc/58/90/39/805589039.db2.gz JFUQPPKBIDVRKD-NWDGAFQWSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1C ZINC001088467655 806273413 /nfs/dbraw/zinc/27/34/13/806273413.db2.gz SYSDKDWLYRGEIS-OLZOCXBDSA-N 1 2 295.814 2.279 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1C ZINC001088467655 806273419 /nfs/dbraw/zinc/27/34/19/806273419.db2.gz SYSDKDWLYRGEIS-OLZOCXBDSA-N 1 2 295.814 2.279 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncc(C)c2)[C@H]1C ZINC001088504864 806327790 /nfs/dbraw/zinc/32/77/90/806327790.db2.gz GVRZVZGGZDZPHI-OCCSQVGLSA-N 1 2 293.798 2.335 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncc(C)c2)[C@H]1C ZINC001088504864 806327799 /nfs/dbraw/zinc/32/77/99/806327799.db2.gz GVRZVZGGZDZPHI-OCCSQVGLSA-N 1 2 293.798 2.335 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1C ZINC001088550794 806373810 /nfs/dbraw/zinc/37/38/10/806373810.db2.gz TXNDWKQSGPLXKO-RCWTZXSCSA-N 1 2 292.757 2.219 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1C ZINC001088550794 806373819 /nfs/dbraw/zinc/37/38/19/806373819.db2.gz TXNDWKQSGPLXKO-RCWTZXSCSA-N 1 2 292.757 2.219 20 30 CEEDLO CSCC[C@@H](Nc1[nH+]cccc1CC#N)C(C)(C)O ZINC001168211340 806413773 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C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113821675 812364483 /nfs/dbraw/zinc/36/44/83/812364483.db2.gz GHABNDHKIWSVED-GXTWGEPZSA-N 1 2 290.411 2.328 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2C1 ZINC001054261403 812556417 /nfs/dbraw/zinc/55/64/17/812556417.db2.gz BMCXUUXVPLSSAJ-INIZCTEOSA-N 1 2 282.387 2.298 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2C1 ZINC001054261403 812556422 /nfs/dbraw/zinc/55/64/22/812556422.db2.gz BMCXUUXVPLSSAJ-INIZCTEOSA-N 1 2 282.387 2.298 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)CCc1[nH+]ccn1C ZINC001123629979 815539154 /nfs/dbraw/zinc/53/91/54/815539154.db2.gz DZBRYYZAOGJSNC-UHFFFAOYSA-N 1 2 268.320 2.172 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CSC)CC[C@@H]1C ZINC001131779317 812726275 /nfs/dbraw/zinc/72/62/75/812726275.db2.gz CNMKFDFVQNOVSV-QWRGUYRKSA-N 1 2 276.833 2.071 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CSC)CC[C@@H]1C ZINC001131779317 812726278 /nfs/dbraw/zinc/72/62/78/812726278.db2.gz 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ZINC001143908615 813895539 /nfs/dbraw/zinc/89/55/39/813895539.db2.gz QNYAFZINYHPJIE-UHFFFAOYSA-N 1 2 284.403 2.262 20 30 CEEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144163693 813966388 /nfs/dbraw/zinc/96/63/88/813966388.db2.gz SKKOQYPXCJQYAQ-BPUTZDHNSA-N 1 2 299.374 2.117 20 30 CEEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C#N)cn1 ZINC001144163693 813966397 /nfs/dbraw/zinc/96/63/97/813966397.db2.gz SKKOQYPXCJQYAQ-BPUTZDHNSA-N 1 2 299.374 2.117 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(O)cc1C(F)(F)F ZINC001144391911 814047342 /nfs/dbraw/zinc/04/73/42/814047342.db2.gz IJXCIRYUAYYPSR-UHFFFAOYSA-N 1 2 267.250 2.479 20 30 CEEDLO C=C(Cc1ccccc1)C(=O)NCCOc1cc[nH+]cc1 ZINC001144399524 814051756 /nfs/dbraw/zinc/05/17/56/814051756.db2.gz WNLWEKHBVYHHLN-UHFFFAOYSA-N 1 2 282.343 2.376 20 30 CEEDLO C=CCCCC(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001101045869 814215492 /nfs/dbraw/zinc/21/54/92/814215492.db2.gz WGSQIDMFJKKCJG-AWEZNQCLSA-N 1 2 288.395 2.084 20 30 CEEDLO C=CC[C@H](C(=O)NCCc1[nH+]ccn1C)c1ccccc1 ZINC001124012015 815586593 /nfs/dbraw/zinc/58/65/93/815586593.db2.gz XJAXJISBANRDCZ-HNNXBMFYSA-N 1 2 283.375 2.439 20 30 CEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccn(C)n1 ZINC001116769810 814881216 /nfs/dbraw/zinc/88/12/16/814881216.db2.gz UTQAZEZPZNLGJR-UHFFFAOYSA-N 1 2 269.352 2.224 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)OC ZINC001171404505 814888642 /nfs/dbraw/zinc/88/86/42/814888642.db2.gz KQOADFOTYRFRTI-IUODEOHRSA-N 1 2 277.339 2.390 20 30 CEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC001137609790 815651514 /nfs/dbraw/zinc/65/15/14/815651514.db2.gz UFYZLHJECGVMPY-INIZCTEOSA-N 1 2 291.354 2.072 20 30 CEEDLO CCOC(=O)C1([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173328158 815677393 /nfs/dbraw/zinc/67/73/93/815677393.db2.gz PQVXVXWIWYMIRV-UHFFFAOYSA-N 1 2 250.342 2.144 20 30 CEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCCCC(=O)OC)C(=O)OCC ZINC001173441565 815718680 /nfs/dbraw/zinc/71/86/80/815718680.db2.gz RXZLKAWBNAEXFJ-WOSRLPQWSA-N 1 2 297.395 2.206 20 30 CEEDLO C#Cc1cc(Nc2cccc(C(=O)NC(C)C)c2)cc[nH+]1 ZINC001174183491 815930132 /nfs/dbraw/zinc/93/01/32/815930132.db2.gz AUIIJUQCIRKEEB-UHFFFAOYSA-N 1 2 279.343 2.367 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(OC(C)=O)c(OCC)c1 ZINC001139008102 815944205 /nfs/dbraw/zinc/94/42/05/815944205.db2.gz NFKUWYVYRJEYNQ-UHFFFAOYSA-N 1 2 285.343 2.079 20 30 CEEDLO C[C@@]1(O)CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686679 816083374 /nfs/dbraw/zinc/08/33/74/816083374.db2.gz BHAMCMNSNBBXGX-CYBMUJFWSA-N 1 2 250.729 2.168 20 30 CEEDLO C[C@@]1(O)CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686679 816083382 /nfs/dbraw/zinc/08/33/82/816083382.db2.gz BHAMCMNSNBBXGX-CYBMUJFWSA-N 1 2 250.729 2.168 20 30 CEEDLO C[C@]1(O)CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686680 816084306 /nfs/dbraw/zinc/08/43/06/816084306.db2.gz BHAMCMNSNBBXGX-ZDUSSCGKSA-N 1 2 250.729 2.168 20 30 CEEDLO C[C@]1(O)CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686680 816084312 /nfs/dbraw/zinc/08/43/12/816084312.db2.gz BHAMCMNSNBBXGX-ZDUSSCGKSA-N 1 2 250.729 2.168 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCc3nn(C)cc3C2)cc1C#N ZINC001139726048 816096227 /nfs/dbraw/zinc/09/62/27/816096227.db2.gz OXMPERBHYNKVSQ-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO Cc1ccc(C[N@H+]2CCc3nn(C)cc3C2)cc1C#N ZINC001139726048 816096231 /nfs/dbraw/zinc/09/62/31/816096231.db2.gz OXMPERBHYNKVSQ-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO N#Cc1cncc(Nc2c[nH+]c(N)cc2C(F)(F)F)n1 ZINC001175710201 816277459 /nfs/dbraw/zinc/27/74/59/816277459.db2.gz YLOLXAIZOKVFOF-UHFFFAOYSA-N 1 2 280.213 2.088 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140601705 816298742 /nfs/dbraw/zinc/29/87/42/816298742.db2.gz ZALSFJHODMWPRG-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140601705 816298746 /nfs/dbraw/zinc/29/87/46/816298746.db2.gz ZALSFJHODMWPRG-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO Cn1cnc2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc21 ZINC001140738880 816336081 /nfs/dbraw/zinc/33/60/81/816336081.db2.gz SLLJQWSKBQQESK-CYBMUJFWSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1cnc2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc21 ZINC001140738880 816336086 /nfs/dbraw/zinc/33/60/86/816336086.db2.gz SLLJQWSKBQQESK-CYBMUJFWSA-N 1 2 254.337 2.309 20 30 CEEDLO COC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1Cl ZINC001140814900 816372962 /nfs/dbraw/zinc/37/29/62/816372962.db2.gz SWABVVOUFUTAKW-LBPRGKRZSA-N 1 2 250.729 2.432 20 30 CEEDLO COC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140814900 816372967 /nfs/dbraw/zinc/37/29/67/816372967.db2.gz SWABVVOUFUTAKW-LBPRGKRZSA-N 1 2 250.729 2.432 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001141167166 816495503 /nfs/dbraw/zinc/49/55/03/816495503.db2.gz CRNXNDPGAQBQIR-INIZCTEOSA-N 1 2 288.322 2.369 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001141167166 816495505 /nfs/dbraw/zinc/49/55/05/816495505.db2.gz CRNXNDPGAQBQIR-INIZCTEOSA-N 1 2 288.322 2.369 20 30 CEEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117738 816678605 /nfs/dbraw/zinc/67/86/05/816678605.db2.gz FYRFLZGHFAEWAH-NSHDSACASA-N 1 2 298.321 2.403 20 30 CEEDLO COC[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165059 816795253 /nfs/dbraw/zinc/79/52/53/816795253.db2.gz TVBDITSUNSBNGY-NSHDSACASA-N 1 2 266.291 2.447 20 30 CEEDLO COC[C@@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165059 816795259 /nfs/dbraw/zinc/79/52/59/816795259.db2.gz TVBDITSUNSBNGY-NSHDSACASA-N 1 2 266.291 2.447 20 30 CEEDLO CCOC(=O)CC[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143172940 816798855 /nfs/dbraw/zinc/79/88/55/816798855.db2.gz GYOQWNOOACWKBF-UHFFFAOYSA-N 1 2 282.290 2.221 20 30 CEEDLO CCOC(=O)CC[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143172940 816798861 /nfs/dbraw/zinc/79/88/61/816798861.db2.gz GYOQWNOOACWKBF-UHFFFAOYSA-N 1 2 282.290 2.221 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000121432924 365567674 /nfs/dbraw/zinc/56/76/74/365567674.db2.gz JTWXNANCWLXXJX-UHFFFAOYSA-N 1 2 264.369 2.052 20 30 CEEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000121432924 365567680 /nfs/dbraw/zinc/56/76/80/365567680.db2.gz JTWXNANCWLXXJX-UHFFFAOYSA-N 1 2 264.369 2.052 20 30 CEEDLO N#Cc1ccsc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336521549 365590842 /nfs/dbraw/zinc/59/08/42/365590842.db2.gz MLVCGJRZGZOBSD-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO N#Cc1ccsc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336521549 365590846 /nfs/dbraw/zinc/59/08/46/365590846.db2.gz MLVCGJRZGZOBSD-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000121593742 365591677 /nfs/dbraw/zinc/59/16/77/365591677.db2.gz JFMIXZLXMUSHHA-NSHDSACASA-N 1 2 260.337 2.334 20 30 CEEDLO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000121593742 365591683 /nfs/dbraw/zinc/59/16/83/365591683.db2.gz JFMIXZLXMUSHHA-NSHDSACASA-N 1 2 260.337 2.334 20 30 CEEDLO C=CC[N@@H+](CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000124742756 187151742 /nfs/dbraw/zinc/15/17/42/187151742.db2.gz NOLYZFIMIRVSOR-MRXNPFEDSA-N 1 2 293.432 2.213 20 30 CEEDLO C=CC[N@H+](CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000124742756 187151743 /nfs/dbraw/zinc/15/17/43/187151743.db2.gz NOLYZFIMIRVSOR-MRXNPFEDSA-N 1 2 293.432 2.213 20 30 CEEDLO CC[C@H](C)[C@@H]([NH2+]Cc1cccc(C#N)c1)C(=O)OC ZINC000035046126 361807254 /nfs/dbraw/zinc/80/72/54/361807254.db2.gz FNQJVGOXBUDFSU-SMDDNHRTSA-N 1 2 260.337 2.236 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccon1 ZINC000350717385 219051811 /nfs/dbraw/zinc/05/18/11/219051811.db2.gz RPEZIEVORRTMQT-XHDPSFHLSA-N 1 2 296.330 2.002 20 30 CEEDLO C[N@H+](Cc1cn2cccnc2n1)Cc1cccc(C#N)c1 ZINC000125238298 187176170 /nfs/dbraw/zinc/17/61/70/187176170.db2.gz SVSOCORPLHFACF-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO C[N@@H+](Cc1cn2cccnc2n1)Cc1cccc(C#N)c1 ZINC000125238298 187176171 /nfs/dbraw/zinc/17/61/71/187176171.db2.gz SVSOCORPLHFACF-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO N#C[C@]1(F)CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000601522600 346845582 /nfs/dbraw/zinc/84/55/82/346845582.db2.gz QSXVDIWAKIFMAG-OAHLLOKOSA-N 1 2 284.294 2.154 20 30 CEEDLO N#CC1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC2(CC2)C1 ZINC000601534244 346846872 /nfs/dbraw/zinc/84/68/72/346846872.db2.gz FSZUNPAILCKTKF-CQSZACIVSA-N 1 2 297.358 2.145 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)c1cccc(C#N)c1C ZINC000337841765 214283739 /nfs/dbraw/zinc/28/37/39/214283739.db2.gz ZQZAYQIFUIXAIR-UHFFFAOYSA-N 1 2 265.316 2.498 20 30 CEEDLO CC(C)(C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000080353651 344006979 /nfs/dbraw/zinc/00/69/79/344006979.db2.gz XYTABDQQZPOQOQ-UHFFFAOYSA-N 1 2 286.379 2.238 20 30 CEEDLO COCC#CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000677133011 539189309 /nfs/dbraw/zinc/18/93/09/539189309.db2.gz CGLQIRVCVPQEBE-GOEBONIOSA-N 1 2 259.349 2.098 20 30 CEEDLO COCC#CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000677133011 539189311 /nfs/dbraw/zinc/18/93/11/539189311.db2.gz CGLQIRVCVPQEBE-GOEBONIOSA-N 1 2 259.349 2.098 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)ccn12 ZINC000601802361 346901689 /nfs/dbraw/zinc/90/16/89/346901689.db2.gz SXSCDGVULWNDKC-KGLIPLIRSA-N 1 2 282.347 2.407 20 30 CEEDLO O=C(N[C@H]1CCOc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329410947 539238728 /nfs/dbraw/zinc/23/87/28/539238728.db2.gz DTODJILMCWSCEI-ZDUSSCGKSA-N 1 2 298.346 2.137 20 30 CEEDLO NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329442978 539239244 /nfs/dbraw/zinc/23/92/44/539239244.db2.gz LGYJUTWEOYALKE-UHTWSYAYSA-N 1 2 290.367 2.496 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000042334393 362084566 /nfs/dbraw/zinc/08/45/66/362084566.db2.gz WIEXNORWFZDOCZ-CYBMUJFWSA-N 1 2 262.353 2.301 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000042334393 362084573 /nfs/dbraw/zinc/08/45/73/362084573.db2.gz WIEXNORWFZDOCZ-CYBMUJFWSA-N 1 2 262.353 2.301 20 30 CEEDLO C[C@@H](CC#N)n1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601936347 346932248 /nfs/dbraw/zinc/93/22/48/346932248.db2.gz RKDPYBOGVODGHQ-DZGCQCFKSA-N 1 2 296.374 2.009 20 30 CEEDLO C[C@@H](CC#N)n1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601936347 346932251 /nfs/dbraw/zinc/93/22/51/346932251.db2.gz RKDPYBOGVODGHQ-DZGCQCFKSA-N 1 2 296.374 2.009 20 30 CEEDLO N#CCCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000046168239 343493776 /nfs/dbraw/zinc/49/37/76/343493776.db2.gz KVQRCCTYNATKPX-UHFFFAOYSA-N 1 2 269.801 2.433 20 30 CEEDLO CCOC(=O)COc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000127659562 365758157 /nfs/dbraw/zinc/75/81/57/365758157.db2.gz ARGPUYCJABOEIG-UHFFFAOYSA-N 1 2 290.363 2.364 20 30 CEEDLO CCOC(=O)COc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000127659562 365758161 /nfs/dbraw/zinc/75/81/61/365758161.db2.gz ARGPUYCJABOEIG-UHFFFAOYSA-N 1 2 290.363 2.364 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000128045983 365773002 /nfs/dbraw/zinc/77/30/02/365773002.db2.gz PBBUHZJUGAPZPF-KBPBESRZSA-N 1 2 288.395 2.083 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000128045983 365773010 /nfs/dbraw/zinc/77/30/10/365773010.db2.gz PBBUHZJUGAPZPF-KBPBESRZSA-N 1 2 288.395 2.083 20 30 CEEDLO Cc1cc(NCCn2ccc(C(F)(F)F)n2)c(C#N)c[nH+]1 ZINC000601980510 346948668 /nfs/dbraw/zinc/94/86/68/346948668.db2.gz MDOGUCUIEJNTKD-UHFFFAOYSA-N 1 2 295.268 2.011 20 30 CEEDLO CC(C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000055115463 343598969 /nfs/dbraw/zinc/59/89/69/343598969.db2.gz XUEZLIDCKSBFDP-UHFFFAOYSA-N 1 2 254.293 2.361 20 30 CEEDLO CCc1ccc(CNC(=O)C[NH+]2CCC(C#N)CC2)s1 ZINC000057874345 343640163 /nfs/dbraw/zinc/64/01/63/343640163.db2.gz PYMXIYXUOPHGIW-UHFFFAOYSA-N 1 2 291.420 2.162 20 30 CEEDLO C=CCn1nnnc1SCc1cn2cccc(C)c2[nH+]1 ZINC000064654468 343692357 /nfs/dbraw/zinc/69/23/57/343692357.db2.gz WZEHXIJCIVRIIF-UHFFFAOYSA-N 1 2 286.364 2.108 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000064797440 343693270 /nfs/dbraw/zinc/69/32/70/343693270.db2.gz XIKPWTUCHZYFGK-NSHDSACASA-N 1 2 263.297 2.065 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000064797440 343693271 /nfs/dbraw/zinc/69/32/71/343693271.db2.gz XIKPWTUCHZYFGK-NSHDSACASA-N 1 2 263.297 2.065 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000066424326 343714007 /nfs/dbraw/zinc/71/40/07/343714007.db2.gz WFBPBYOMKPUPKR-UONOGXRCSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000066424326 343714008 /nfs/dbraw/zinc/71/40/08/343714008.db2.gz WFBPBYOMKPUPKR-UONOGXRCSA-N 1 2 265.401 2.259 20 30 CEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)[C@H](O)C(F)(F)F ZINC000602016325 346959860 /nfs/dbraw/zinc/95/98/60/346959860.db2.gz BXRAPHSWMCSSGL-HQJQHLMTSA-N 1 2 276.233 2.099 20 30 CEEDLO CCc1c[nH]c(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)[nH+]1 ZINC000602058768 346967084 /nfs/dbraw/zinc/96/70/84/346967084.db2.gz RNYDHWIZSLILTB-ZDUSSCGKSA-N 1 2 286.310 2.035 20 30 CEEDLO CC(C)C[C@@H](C(=O)N(CCC#N)CCC#N)n1cc[nH+]c1 ZINC000602079543 346969729 /nfs/dbraw/zinc/96/97/29/346969729.db2.gz RVBGRWLVTSWQDY-AWEZNQCLSA-N 1 2 287.367 2.126 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCc1ccccc1F ZINC000081040237 344037422 /nfs/dbraw/zinc/03/74/22/344037422.db2.gz WCLUTVWQADTGGI-LBPRGKRZSA-N 1 2 277.343 2.066 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCc1ccccc1F ZINC000081040237 344037424 /nfs/dbraw/zinc/03/74/24/344037424.db2.gz WCLUTVWQADTGGI-LBPRGKRZSA-N 1 2 277.343 2.066 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c1C ZINC000072713144 343809313 /nfs/dbraw/zinc/80/93/13/343809313.db2.gz GMWMJNMDVDEHCB-ZDUSSCGKSA-N 1 2 278.396 2.176 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CC[C@H](C)O)c1C ZINC000072713144 343809315 /nfs/dbraw/zinc/80/93/15/343809315.db2.gz GMWMJNMDVDEHCB-ZDUSSCGKSA-N 1 2 278.396 2.176 20 30 CEEDLO C=CC[NH+](CC=C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000075625469 343859952 /nfs/dbraw/zinc/85/99/52/343859952.db2.gz PMNQVDBXDKWROD-UHFFFAOYSA-N 1 2 295.404 2.143 20 30 CEEDLO CC(C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000077651222 343928350 /nfs/dbraw/zinc/92/83/50/343928350.db2.gz PTNKVQDMQOWKKK-UHFFFAOYSA-N 1 2 286.379 2.238 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C#N)cn1 ZINC000078336823 343947713 /nfs/dbraw/zinc/94/77/13/343947713.db2.gz CRFYJHVQEFKMLC-UHFFFAOYSA-N 1 2 255.325 2.418 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000602445016 347035418 /nfs/dbraw/zinc/03/54/18/347035418.db2.gz LQUDIYPSBRJFOO-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000602445016 347035420 /nfs/dbraw/zinc/03/54/20/347035420.db2.gz LQUDIYPSBRJFOO-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](CC)C[C@@H](C)C#N)[nH]1 ZINC000602446992 347036625 /nfs/dbraw/zinc/03/66/25/347036625.db2.gz JSIQIRCFCFDEGG-NSHDSACASA-N 1 2 263.341 2.173 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](CC)C[C@@H](C)C#N)[nH]1 ZINC000602446992 347036627 /nfs/dbraw/zinc/03/66/27/347036627.db2.gz JSIQIRCFCFDEGG-NSHDSACASA-N 1 2 263.341 2.173 20 30 CEEDLO CC[N@@H+](Cc1cnc(CCOC)s1)C[C@@H](C)C#N ZINC000602447731 347036657 /nfs/dbraw/zinc/03/66/57/347036657.db2.gz OVNIYGGDSBNODI-NSHDSACASA-N 1 2 267.398 2.314 20 30 CEEDLO CC[N@H+](Cc1cnc(CCOC)s1)C[C@@H](C)C#N ZINC000602447731 347036658 /nfs/dbraw/zinc/03/66/58/347036658.db2.gz OVNIYGGDSBNODI-NSHDSACASA-N 1 2 267.398 2.314 20 30 CEEDLO Cc1csc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)n1 ZINC000602440555 347033368 /nfs/dbraw/zinc/03/33/68/347033368.db2.gz VMCDLEHFVJNFHZ-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO N#CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000049750799 362374083 /nfs/dbraw/zinc/37/40/83/362374083.db2.gz NSGCDVZIVWUXKG-UHFFFAOYSA-N 1 2 292.770 2.299 20 30 CEEDLO C=CCNC(=O)c1ccc(NCc2[nH+]ccn2CC)cc1 ZINC000051923832 362451629 /nfs/dbraw/zinc/45/16/29/362451629.db2.gz ICWASUQTGRHUCL-UHFFFAOYSA-N 1 2 284.363 2.431 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000265980433 344660300 /nfs/dbraw/zinc/66/03/00/344660300.db2.gz DVDMXQREHDWXEI-GXTWGEPZSA-N 1 2 273.336 2.103 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000265980433 344660301 /nfs/dbraw/zinc/66/03/01/344660301.db2.gz DVDMXQREHDWXEI-GXTWGEPZSA-N 1 2 273.336 2.103 20 30 CEEDLO 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ZINC000596426535 346020103 /nfs/dbraw/zinc/02/01/03/346020103.db2.gz BOJFOTSAACMUID-WDEREUQCSA-N 1 2 295.333 2.358 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2c(F)cc(C#N)cc2F)[C@@H](C)CO1 ZINC000596426535 346020106 /nfs/dbraw/zinc/02/01/06/346020106.db2.gz BOJFOTSAACMUID-WDEREUQCSA-N 1 2 295.333 2.358 20 30 CEEDLO Cc1cc(NC[C@H](O)[C@@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000596548572 346052021 /nfs/dbraw/zinc/05/20/21/346052021.db2.gz SYAKTUVIHILADD-GUYCJALGSA-N 1 2 281.359 2.260 20 30 CEEDLO Cc1cc(N[C@H]2C[C@H](OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000596550789 346052522 /nfs/dbraw/zinc/05/25/22/346052522.db2.gz NZVJFHLPPOBMNR-JOCQHMNTSA-N 1 2 259.353 2.442 20 30 CEEDLO C[C@H](CC#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000596703269 346077319 /nfs/dbraw/zinc/07/73/19/346077319.db2.gz WHOYOQRJJSJMIY-CYBMUJFWSA-N 1 2 282.347 2.097 20 30 CEEDLO Cn1c[nH+]cc1Cc1noc(CC2(C#N)CCCCC2)n1 ZINC000596593661 346062134 /nfs/dbraw/zinc/06/21/34/346062134.db2.gz QMSQTDFLHPLKOM-UHFFFAOYSA-N 1 2 285.351 2.410 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)c(F)c1 ZINC000596596782 346062734 /nfs/dbraw/zinc/06/27/34/346062734.db2.gz FNAWAZHEAIINEP-UHFFFAOYSA-N 1 2 270.311 2.369 20 30 CEEDLO N#CC1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCC1 ZINC000596948550 346108762 /nfs/dbraw/zinc/10/87/62/346108762.db2.gz JXVSWYPDMGCFPV-AWEZNQCLSA-N 1 2 294.358 2.494 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000597124301 346131362 /nfs/dbraw/zinc/13/13/62/346131362.db2.gz IFYXFRYUFURXCT-VXGBXAGGSA-N 1 2 284.294 2.173 20 30 CEEDLO COC(=O)c1oc(C[NH2+]CC2(C#N)CCC2)cc1C ZINC000597152694 346136031 /nfs/dbraw/zinc/13/60/31/346136031.db2.gz CJFZVWBVFJVXCM-UHFFFAOYSA-N 1 2 262.309 2.158 20 30 CEEDLO C=CCC[C@H](NCc1[nH+]ccn1C(C)C)C(=O)OCC ZINC000597152221 346136070 /nfs/dbraw/zinc/13/60/70/346136070.db2.gz QGCHPJMRMDFXOL-ZDUSSCGKSA-N 1 2 279.384 2.452 20 30 CEEDLO COC(=O)c1ccc(Cl)c(C[NH+]2CC(CC#N)C2)c1 ZINC000597204508 346147947 /nfs/dbraw/zinc/14/79/47/346147947.db2.gz YLQNQBWVQRMQPP-UHFFFAOYSA-N 1 2 278.739 2.472 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597605359 346206686 /nfs/dbraw/zinc/20/66/86/346206686.db2.gz OQVZOIZDNYHASC-LLVKDONJSA-N 1 2 295.346 2.067 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597605359 346206687 /nfs/dbraw/zinc/20/66/87/346206687.db2.gz OQVZOIZDNYHASC-LLVKDONJSA-N 1 2 295.346 2.067 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000597813803 346235005 /nfs/dbraw/zinc/23/50/05/346235005.db2.gz APMNAGNGSLQBPC-UKRRQHHQSA-N 1 2 296.374 2.370 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000602584591 347089323 /nfs/dbraw/zinc/08/93/23/347089323.db2.gz HFHZEJMDIZVINP-GOSISDBHSA-N 1 2 293.370 2.397 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000602584591 347089326 /nfs/dbraw/zinc/08/93/26/347089326.db2.gz HFHZEJMDIZVINP-GOSISDBHSA-N 1 2 293.370 2.397 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000597857087 346239106 /nfs/dbraw/zinc/23/91/06/346239106.db2.gz KUUBJAHOENGXLX-UHFFFAOYSA-N 1 2 298.321 2.111 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000597857087 346239108 /nfs/dbraw/zinc/23/91/08/346239108.db2.gz KUUBJAHOENGXLX-UHFFFAOYSA-N 1 2 298.321 2.111 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000598591669 346379554 /nfs/dbraw/zinc/37/95/54/346379554.db2.gz CBNRHXWPHBYFNR-CYBMUJFWSA-N 1 2 275.352 2.296 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000598591669 346379556 /nfs/dbraw/zinc/37/95/56/346379556.db2.gz CBNRHXWPHBYFNR-CYBMUJFWSA-N 1 2 275.352 2.296 20 30 CEEDLO Cc1nccnc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000598674627 346398228 /nfs/dbraw/zinc/39/82/28/346398228.db2.gz RGCGFQWIXCQNSB-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CN1c2ccccc2C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000598948109 346436392 /nfs/dbraw/zinc/43/63/92/346436392.db2.gz PMBFAJMMOCGADZ-OCCSQVGLSA-N 1 2 269.348 2.157 20 30 CEEDLO CN1c2ccccc2C[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000598948109 346436394 /nfs/dbraw/zinc/43/63/94/346436394.db2.gz PMBFAJMMOCGADZ-OCCSQVGLSA-N 1 2 269.348 2.157 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000598973614 346440065 /nfs/dbraw/zinc/44/00/65/346440065.db2.gz CHNHCSKFTHWDHL-AWEZNQCLSA-N 1 2 294.358 2.459 20 30 CEEDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599250716 346483694 /nfs/dbraw/zinc/48/36/94/346483694.db2.gz RLWHSHQULGKFIE-OAHLLOKOSA-N 1 2 272.348 2.394 20 30 CEEDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599250716 346483696 /nfs/dbraw/zinc/48/36/96/346483696.db2.gz RLWHSHQULGKFIE-OAHLLOKOSA-N 1 2 272.348 2.394 20 30 CEEDLO Cc1ccc(CN2CCn3c[nH+]cc3C2)cc1C#N ZINC000599429082 346518029 /nfs/dbraw/zinc/51/80/29/346518029.db2.gz DWZMJNGNQJUXCN-UHFFFAOYSA-N 1 2 252.321 2.079 20 30 CEEDLO N#Cc1cccc2c1C[N@H+](CCOC1CCOCC1)C2 ZINC000599453019 346523332 /nfs/dbraw/zinc/52/33/32/346523332.db2.gz FRRMJXBZHGFHDW-UHFFFAOYSA-N 1 2 272.348 2.069 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+](CCOC1CCOCC1)C2 ZINC000599453019 346523334 /nfs/dbraw/zinc/52/33/34/346523334.db2.gz FRRMJXBZHGFHDW-UHFFFAOYSA-N 1 2 272.348 2.069 20 30 CEEDLO C[C@@H](c1nncn1C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678175 346562558 /nfs/dbraw/zinc/56/25/58/346562558.db2.gz PFLUZMMTJZGMNV-LBPRGKRZSA-N 1 2 281.363 2.000 20 30 CEEDLO C[C@@H](c1nncn1C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678175 346562559 /nfs/dbraw/zinc/56/25/59/346562559.db2.gz PFLUZMMTJZGMNV-LBPRGKRZSA-N 1 2 281.363 2.000 20 30 CEEDLO CCOC(=O)c1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000600120708 346601012 /nfs/dbraw/zinc/60/10/12/346601012.db2.gz MMBYOGBKQZDTLF-LBPRGKRZSA-N 1 2 287.363 2.382 20 30 CEEDLO CCOC(=O)c1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000600120708 346601014 /nfs/dbraw/zinc/60/10/14/346601014.db2.gz MMBYOGBKQZDTLF-LBPRGKRZSA-N 1 2 287.363 2.382 20 30 CEEDLO Cc1[nH]c(CN2Cc3ccc(C#N)cc3C2)[nH+]c1C ZINC000600177880 346615764 /nfs/dbraw/zinc/61/57/64/346615764.db2.gz UIZQETSKZGPZEC-UHFFFAOYSA-N 1 2 252.321 2.414 20 30 CEEDLO N#CC1(C(=O)NCc2cn3ccccc3[nH+]2)CC2(CC2)C1 ZINC000600945301 346713794 /nfs/dbraw/zinc/71/37/94/346713794.db2.gz FIFYELMINPRLSB-UHFFFAOYSA-N 1 2 280.331 2.034 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2cccc3c2CCOC3)n1 ZINC000601154875 346771902 /nfs/dbraw/zinc/77/19/02/346771902.db2.gz AHAWXPXSNASCGB-UHFFFAOYSA-N 1 2 285.372 2.377 20 30 CEEDLO Cc1cccc(CCCNc2cc(C#N)nc(C3CC3)n2)[nH+]1 ZINC000601165271 346774303 /nfs/dbraw/zinc/77/43/03/346774303.db2.gz MEEMBWZXZDWCKR-UHFFFAOYSA-N 1 2 293.374 2.396 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H](CC)O1 ZINC000602699063 347154563 /nfs/dbraw/zinc/15/45/63/347154563.db2.gz QDQSAOSGEMKSAX-GASCZTMLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H](CC)O1 ZINC000602699063 347154565 /nfs/dbraw/zinc/15/45/65/347154565.db2.gz QDQSAOSGEMKSAX-GASCZTMLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@H]1C[NH+](Cc2cccc(C#N)n2)C[C@H](CC)O1 ZINC000602699064 347154662 /nfs/dbraw/zinc/15/46/62/347154662.db2.gz QDQSAOSGEMKSAX-GJZGRUSLSA-N 1 2 259.353 2.343 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)C(=O)OC ZINC000602732786 347177070 /nfs/dbraw/zinc/17/70/70/347177070.db2.gz DYIFFWAFUMZXDM-DOMZBBRYSA-N 1 2 277.364 2.421 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccn(C(C)C)n1)C(=O)OC ZINC000602735398 347178727 /nfs/dbraw/zinc/17/87/27/347178727.db2.gz WNCJJXBQBDFZKU-DZGCQCFKSA-N 1 2 293.411 2.492 20 30 CEEDLO Cc1cccc2nc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)cn21 ZINC000602858627 347227267 /nfs/dbraw/zinc/22/72/67/347227267.db2.gz UBEQPADTWJIWCB-GJZGRUSLSA-N 1 2 297.406 2.061 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@H](C)N1CC#N ZINC000602857775 347227503 /nfs/dbraw/zinc/22/75/03/347227503.db2.gz UWYQZYGRPJRDBS-BETUJISGSA-N 1 2 284.363 2.246 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@H](C)N1CC#N ZINC000602857775 347227506 /nfs/dbraw/zinc/22/75/06/347227506.db2.gz UWYQZYGRPJRDBS-BETUJISGSA-N 1 2 284.363 2.246 20 30 CEEDLO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602859759 347228066 /nfs/dbraw/zinc/22/80/66/347228066.db2.gz ALONPSXNVNHPGW-LBPRGKRZSA-N 1 2 259.353 2.388 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000602861670 347228973 /nfs/dbraw/zinc/22/89/73/347228973.db2.gz HNDINGPQXZUDLO-SECBINFHSA-N 1 2 276.727 2.042 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCCc2ccccc21 ZINC000602861672 347229008 /nfs/dbraw/zinc/22/90/08/347229008.db2.gz HDACHWUNYQIXPQ-QWHCGFSZSA-N 1 2 271.364 2.246 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)CC#N ZINC000602861111 347229161 /nfs/dbraw/zinc/22/91/61/347229161.db2.gz FWVVIGKEUYUQCL-VIFPVBQESA-N 1 2 250.298 2.020 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893772 347239956 /nfs/dbraw/zinc/23/99/56/347239956.db2.gz GQJYDDUHMYBVMH-INIZCTEOSA-N 1 2 299.374 2.162 20 30 CEEDLO CCn1nc(C)c(C[N@H+](C)C[C@H](C#N)CCC#N)c1C ZINC000602924047 347248524 /nfs/dbraw/zinc/24/85/24/347248524.db2.gz AVQTWKQLIKWPKS-AWEZNQCLSA-N 1 2 273.384 2.395 20 30 CEEDLO CCn1nc(C)c(C[N@@H+](C)C[C@H](C#N)CCC#N)c1C ZINC000602924047 347248529 /nfs/dbraw/zinc/24/85/29/347248529.db2.gz AVQTWKQLIKWPKS-AWEZNQCLSA-N 1 2 273.384 2.395 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000602947661 347254126 /nfs/dbraw/zinc/25/41/26/347254126.db2.gz RDZWRVUUUCCSSJ-AWEZNQCLSA-N 1 2 293.338 2.397 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602956468 347256719 /nfs/dbraw/zinc/25/67/19/347256719.db2.gz QVDCNDVOBCWULR-GFCCVEGCSA-N 1 2 280.393 2.125 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000602973716 347260553 /nfs/dbraw/zinc/26/05/53/347260553.db2.gz DKZHBPFHRNZVDQ-LXTVHRRPSA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000602973716 347260554 /nfs/dbraw/zinc/26/05/54/347260554.db2.gz DKZHBPFHRNZVDQ-LXTVHRRPSA-N 1 2 277.412 2.115 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000065295844 362809235 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C=CC[N@H+](CCOC)[C@H](C)c1nc(C(C)C)no1 ZINC000191144839 369684181 /nfs/dbraw/zinc/68/41/81/369684181.db2.gz HPFLGRQHUNCZJF-LLVKDONJSA-N 1 2 253.346 2.388 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(C)c(C)c1 ZINC000191146593 369685581 /nfs/dbraw/zinc/68/55/81/369685581.db2.gz NRJQFUCMXQSDJM-UHFFFAOYSA-N 1 2 276.380 2.376 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(C)c(C)c1 ZINC000191146593 369685585 /nfs/dbraw/zinc/68/55/85/369685585.db2.gz NRJQFUCMXQSDJM-UHFFFAOYSA-N 1 2 276.380 2.376 20 30 CEEDLO CCOC(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191975309 369758739 /nfs/dbraw/zinc/75/87/39/369758739.db2.gz JZFKCJAUZIULFC-UHFFFAOYSA-N 1 2 286.375 2.202 20 30 CEEDLO CCOC(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191975309 369758746 /nfs/dbraw/zinc/75/87/46/369758746.db2.gz JZFKCJAUZIULFC-UHFFFAOYSA-N 1 2 286.375 2.202 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000192219334 369780642 /nfs/dbraw/zinc/78/06/42/369780642.db2.gz ONEPPRLSFAXOAE-INIZCTEOSA-N 1 2 270.376 2.305 20 30 CEEDLO C#CC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000192219334 369780648 /nfs/dbraw/zinc/78/06/48/369780648.db2.gz ONEPPRLSFAXOAE-INIZCTEOSA-N 1 2 270.376 2.305 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192206073 369780842 /nfs/dbraw/zinc/78/08/42/369780842.db2.gz XRJJEYRDVYYKKG-HNNXBMFYSA-N 1 2 276.311 2.225 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192206073 369780845 /nfs/dbraw/zinc/78/08/45/369780845.db2.gz XRJJEYRDVYYKKG-HNNXBMFYSA-N 1 2 276.311 2.225 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000192234902 369781788 /nfs/dbraw/zinc/78/17/88/369781788.db2.gz RLKVYDMVXQAXKQ-CQSZACIVSA-N 1 2 258.365 2.046 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000192234902 369781793 /nfs/dbraw/zinc/78/17/93/369781793.db2.gz RLKVYDMVXQAXKQ-CQSZACIVSA-N 1 2 258.365 2.046 20 30 CEEDLO CCCCCC(=O)NC1CC[NH+](CCC#N)CC1 ZINC000353981274 370162540 /nfs/dbraw/zinc/16/25/40/370162540.db2.gz HFRAOEGVQXFUQN-UHFFFAOYSA-N 1 2 251.374 2.061 20 30 CEEDLO CC(C)[C@]1(CO)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000354574194 370416566 /nfs/dbraw/zinc/41/65/66/370416566.db2.gz UXERDBMEJCAIPF-CQSZACIVSA-N 1 2 279.409 2.245 20 30 CEEDLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000354574194 370416572 /nfs/dbraw/zinc/41/65/72/370416572.db2.gz UXERDBMEJCAIPF-CQSZACIVSA-N 1 2 279.409 2.245 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)Nc1nccc(C#N)c1Cl ZINC000235458856 370567400 /nfs/dbraw/zinc/56/74/00/370567400.db2.gz URRVVFWTUKLMMW-SECBINFHSA-N 1 2 261.716 2.304 20 30 CEEDLO C[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1n1cc[nH+]c1 ZINC000247787169 371142065 /nfs/dbraw/zinc/14/20/65/371142065.db2.gz YPBCOPOQMZSLQG-IUODEOHRSA-N 1 2 267.336 2.237 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C#N)cs1 ZINC000248862721 371258432 /nfs/dbraw/zinc/25/84/32/371258432.db2.gz SIQYERPDBWUWBD-UBHSHLNASA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(C#N)cs1 ZINC000248862721 371258436 /nfs/dbraw/zinc/25/84/36/371258436.db2.gz SIQYERPDBWUWBD-UBHSHLNASA-N 1 2 290.388 2.393 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(C#N)cc1F ZINC000331921710 204295875 /nfs/dbraw/zinc/29/58/75/204295875.db2.gz ZNFBXGPSKAFKIS-QMTHXVAHSA-N 1 2 285.326 2.475 20 30 CEEDLO N#Cc1c[nH]c(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000359066483 371325005 /nfs/dbraw/zinc/32/50/05/371325005.db2.gz DDOWRRRJAJVQJX-UHFFFAOYSA-N 1 2 277.287 2.324 20 30 CEEDLO Cn1ccnc1[C@@H]([NH2+]CC#Cc1ccccc1)C(C)(C)CO ZINC000639772953 371556812 /nfs/dbraw/zinc/55/68/12/371556812.db2.gz QNXNFXVLOPOFMH-MRXNPFEDSA-N 1 2 297.402 2.121 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000639787930 371569186 /nfs/dbraw/zinc/56/91/86/371569186.db2.gz TWBGUPDSKMZCPB-LBPRGKRZSA-N 1 2 279.409 2.164 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000639787930 371569192 /nfs/dbraw/zinc/56/91/92/371569192.db2.gz TWBGUPDSKMZCPB-LBPRGKRZSA-N 1 2 279.409 2.164 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000361030981 371610273 /nfs/dbraw/zinc/61/02/73/371610273.db2.gz DTRMNWDQINJKHN-UHFFFAOYSA-N 1 2 299.309 2.250 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CCSCC(=O)OC)c1 ZINC000264326384 371992731 /nfs/dbraw/zinc/99/27/31/371992731.db2.gz ONHULDHVAMLCFR-OQLLNIDSSA-N 1 2 297.376 2.116 20 30 CEEDLO N#CCN(Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000263764932 371947984 /nfs/dbraw/zinc/94/79/84/371947984.db2.gz VKPBQFAVSYMTIM-UHFFFAOYSA-N 1 2 252.321 2.360 20 30 CEEDLO N#Cc1nccnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000263800641 371948068 /nfs/dbraw/zinc/94/80/68/371948068.db2.gz LIRBSTAQBJMWJF-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000263757936 371949251 /nfs/dbraw/zinc/94/92/51/371949251.db2.gz XSUWTKBSQFERFN-RYUDHWBXSA-N 1 2 282.771 2.171 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000263757936 371949253 /nfs/dbraw/zinc/94/92/53/371949253.db2.gz XSUWTKBSQFERFN-RYUDHWBXSA-N 1 2 282.771 2.171 20 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VBWLXZCWHHNOIV-OAHLLOKOSA-N 1 2 298.390 2.088 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCc3ccccc32)nn1 ZINC000640947780 372193345 /nfs/dbraw/zinc/19/33/45/372193345.db2.gz KJYNIUICPWRJEW-QGZVFWFLSA-N 1 2 280.375 2.317 20 30 CEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cnn(C)c1 ZINC000362275224 372294037 /nfs/dbraw/zinc/29/40/37/372294037.db2.gz CEUBGDHSQAAPFB-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2cccc(C)c2)nn1 ZINC000641074000 372280293 /nfs/dbraw/zinc/28/02/93/372280293.db2.gz FBTYCTRRNNBCSU-AWEZNQCLSA-N 1 2 268.364 2.309 20 30 CEEDLO N#Cc1ccc(N2CCC[N@H+](Cc3csnn3)CC2)cc1 ZINC000362390172 372346538 /nfs/dbraw/zinc/34/65/38/372346538.db2.gz SFVCXYZGQJATKZ-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3csnn3)CC2)cc1 ZINC000362390172 372346542 /nfs/dbraw/zinc/34/65/42/372346542.db2.gz SFVCXYZGQJATKZ-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO CN(C)c1ccc(CNC(=O)c2ccc(C#N)s2)c[nH+]1 ZINC000362962194 372591661 /nfs/dbraw/zinc/59/16/61/372591661.db2.gz AQBCGIGKRFSFNY-UHFFFAOYSA-N 1 2 286.360 2.011 20 30 CEEDLO C=CCOCCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000176782426 261309693 /nfs/dbraw/zinc/30/96/93/261309693.db2.gz MFFHIJDHFAJURH-UHFFFAOYSA-N 1 2 277.368 2.093 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOCC23CCCC3)c1 ZINC000270658209 372886407 /nfs/dbraw/zinc/88/64/07/372886407.db2.gz PZLLICIQFIIMJT-UHFFFAOYSA-N 1 2 299.374 2.142 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOCC23CCCC3)c1 ZINC000270658209 372886409 /nfs/dbraw/zinc/88/64/09/372886409.db2.gz PZLLICIQFIIMJT-UHFFFAOYSA-N 1 2 299.374 2.142 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000366730742 373115471 /nfs/dbraw/zinc/11/54/71/373115471.db2.gz QVXUNOVMSGCKLL-XHBSWPGZSA-N 1 2 286.379 2.418 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)C1 ZINC000366730742 373115478 /nfs/dbraw/zinc/11/54/78/373115478.db2.gz QVXUNOVMSGCKLL-XHBSWPGZSA-N 1 2 286.379 2.418 20 30 CEEDLO C=CCN(C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000367385554 373149970 /nfs/dbraw/zinc/14/99/70/373149970.db2.gz YZIZTDSJDFHENP-ZDUSSCGKSA-N 1 2 288.395 2.429 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(C#N)c(F)c1 ZINC000271983538 373248904 /nfs/dbraw/zinc/24/89/04/373248904.db2.gz XIRBEQIIZVCJAZ-ZJUUUORDSA-N 1 2 273.315 2.238 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@]2(CCCOC2)O1 ZINC000369878146 373528979 /nfs/dbraw/zinc/52/89/79/373528979.db2.gz OCELSPLRKAGWGH-CJNGLKHVSA-N 1 2 290.363 2.311 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@]2(CCCOC2)O1 ZINC000369878146 373528980 /nfs/dbraw/zinc/52/89/80/373528980.db2.gz OCELSPLRKAGWGH-CJNGLKHVSA-N 1 2 290.363 2.311 20 30 CEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C#N)cc3)n2)C1 ZINC000272626069 373588117 /nfs/dbraw/zinc/58/81/17/373588117.db2.gz JONMZOGPPLIARZ-AWEZNQCLSA-N 1 2 298.346 2.390 20 30 CEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C#N)cc3)n2)C1 ZINC000272626069 373588123 /nfs/dbraw/zinc/58/81/23/373588123.db2.gz 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SVYAOWZIPGZIKE-HUUCEWRRSA-N 1 2 258.321 2.295 20 30 CEEDLO CSc1ccc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000438848804 377912357 /nfs/dbraw/zinc/91/23/57/377912357.db2.gz IPEWNDXNXBERED-UHFFFAOYSA-N 1 2 267.423 2.111 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294513846 377991431 /nfs/dbraw/zinc/99/14/31/377991431.db2.gz YCQGZRWHQLIOHV-UHFFFAOYSA-N 1 2 297.402 2.415 20 30 CEEDLO C=C(CC)C[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444746401 378080601 /nfs/dbraw/zinc/08/06/01/378080601.db2.gz FCAUNVYYBGQILV-IUODEOHRSA-N 1 2 269.385 2.289 20 30 CEEDLO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)C1COC1 ZINC000295349667 378116549 /nfs/dbraw/zinc/11/65/49/378116549.db2.gz IMXVOGQPTLNSBN-UHFFFAOYSA-N 1 2 269.348 2.420 20 30 CEEDLO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)C1COC1 ZINC000295349667 378116553 /nfs/dbraw/zinc/11/65/53/378116553.db2.gz IMXVOGQPTLNSBN-UHFFFAOYSA-N 1 2 269.348 2.420 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC12CCC2)C(=O)OC ZINC000449298404 378200583 /nfs/dbraw/zinc/20/05/83/378200583.db2.gz HOZGSHRPIKEDKA-STQMWFEESA-N 1 2 267.369 2.043 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OCC ZINC000449661423 378218734 /nfs/dbraw/zinc/21/87/34/378218734.db2.gz ZVFCJBGHZKNVQN-AGIUHOORSA-N 1 2 250.342 2.166 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc2[nH+]1 ZINC000448622686 378176963 /nfs/dbraw/zinc/17/69/63/378176963.db2.gz ATYPCFAJEVNJMR-XLKFXECMSA-N 1 2 254.293 2.360 20 30 CEEDLO C[C@@H](CNc1c(C#N)cnc2ccccc21)[NH+]1CCOCC1 ZINC000266117072 190232102 /nfs/dbraw/zinc/23/21/02/190232102.db2.gz VIAUVPZQDLZRTC-ZDUSSCGKSA-N 1 2 296.374 2.239 20 30 CEEDLO Cc1cc(C)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000516071548 379257470 /nfs/dbraw/zinc/25/74/70/379257470.db2.gz LMTQYHINUWZECK-QGZVFWFLSA-N 1 2 287.407 2.114 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2sccc2C1 ZINC000526059108 379698345 /nfs/dbraw/zinc/69/83/45/379698345.db2.gz USCGHZJTXUTIRU-NSHDSACASA-N 1 2 289.404 2.057 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2sccc2C1 ZINC000526059108 379698351 /nfs/dbraw/zinc/69/83/51/379698351.db2.gz USCGHZJTXUTIRU-NSHDSACASA-N 1 2 289.404 2.057 20 30 CEEDLO CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000267430524 190329974 /nfs/dbraw/zinc/32/99/74/190329974.db2.gz MLMAKNDVDKTTRK-UHFFFAOYSA-N 1 2 297.402 2.393 20 30 CEEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccn(C)n1 ZINC000459788396 380067186 /nfs/dbraw/zinc/06/71/86/380067186.db2.gz LMGQOWKPVDVXPM-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528767180 380086742 /nfs/dbraw/zinc/08/67/42/380086742.db2.gz LMLKFSNRNBZOLT-YPMHNXCESA-N 1 2 287.354 2.160 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528767180 380086749 /nfs/dbraw/zinc/08/67/49/380086749.db2.gz LMLKFSNRNBZOLT-YPMHNXCESA-N 1 2 287.354 2.160 20 30 CEEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCC(C)(C)C#N ZINC000530865928 380204824 /nfs/dbraw/zinc/20/48/24/380204824.db2.gz UWCWCTGPXQPUJC-LBPRGKRZSA-N 1 2 284.425 2.297 20 30 CEEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCC(C)(C)C#N ZINC000530865928 380204828 /nfs/dbraw/zinc/20/48/28/380204828.db2.gz UWCWCTGPXQPUJC-LBPRGKRZSA-N 1 2 284.425 2.297 20 30 CEEDLO Cc1ccn2cc(CNC(=O)C3(C#N)CC(C)C3)[nH+]c2c1 ZINC000532321413 380212869 /nfs/dbraw/zinc/21/28/69/380212869.db2.gz VYXHNGAAYRDKJF-UHFFFAOYSA-N 1 2 282.347 2.199 20 30 CEEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000334374166 380321852 /nfs/dbraw/zinc/32/18/52/380321852.db2.gz UBCZMLHGMPMTFU-WCQYABFASA-N 1 2 284.319 2.071 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000491289465 380298742 /nfs/dbraw/zinc/29/87/42/380298742.db2.gz ZAGQTJAJKAGTHQ-VIFPVBQESA-N 1 2 259.309 2.400 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000491289465 380298748 /nfs/dbraw/zinc/29/87/48/380298748.db2.gz ZAGQTJAJKAGTHQ-VIFPVBQESA-N 1 2 259.309 2.400 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCC(C)(C)C#N)CC1(C)C ZINC000334576252 380625404 /nfs/dbraw/zinc/62/54/04/380625404.db2.gz NBGLCZPRDDBRQZ-LLVKDONJSA-N 1 2 289.383 2.062 20 30 CEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cn1cc[nH+]c1 ZINC000553831197 380751590 /nfs/dbraw/zinc/75/15/90/380751590.db2.gz JQQIXMXTESWLMP-UHFFFAOYSA-N 1 2 296.374 2.440 20 30 CEEDLO N#CCC1(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000555703003 380844462 /nfs/dbraw/zinc/84/44/62/380844462.db2.gz UHZRQTQAEDQTPH-ZDUSSCGKSA-N 1 2 267.336 2.178 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000493608965 381085551 /nfs/dbraw/zinc/08/55/51/381085551.db2.gz GLECUBRBJRLMNM-YBJDMEARSA-N 1 2 286.379 2.457 20 30 CEEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495813166 381185921 /nfs/dbraw/zinc/18/59/21/381185921.db2.gz FQLLVXCGPFXFMB-ZDUSSCGKSA-N 1 2 267.373 2.281 20 30 CEEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495813166 381185926 /nfs/dbraw/zinc/18/59/26/381185926.db2.gz FQLLVXCGPFXFMB-ZDUSSCGKSA-N 1 2 267.373 2.281 20 30 CEEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1ccsc1 ZINC000048558325 542359150 /nfs/dbraw/zinc/35/91/50/542359150.db2.gz MBCPAVICYJUHCA-UHFFFAOYSA-N 1 2 268.367 2.320 20 30 CEEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1ccsc1 ZINC000048558325 542359154 /nfs/dbraw/zinc/35/91/54/542359154.db2.gz MBCPAVICYJUHCA-UHFFFAOYSA-N 1 2 268.367 2.320 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000281113068 195108987 /nfs/dbraw/zinc/10/89/87/195108987.db2.gz WYNFSLNBGZLBBG-UHFFFAOYSA-N 1 2 299.349 2.477 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000281113068 195108989 /nfs/dbraw/zinc/10/89/89/195108989.db2.gz WYNFSLNBGZLBBG-UHFFFAOYSA-N 1 2 299.349 2.477 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)o1 ZINC000353752399 220306680 /nfs/dbraw/zinc/30/66/80/220306680.db2.gz LCTXTXPXZNLYJX-RYUDHWBXSA-N 1 2 288.269 2.429 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)o1 ZINC000353752399 220306682 /nfs/dbraw/zinc/30/66/82/220306682.db2.gz LCTXTXPXZNLYJX-RYUDHWBXSA-N 1 2 288.269 2.429 20 30 CEEDLO C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000105778274 533108116 /nfs/dbraw/zinc/10/81/16/533108116.db2.gz XEBOJCVQEVYQPN-GFCCVEGCSA-N 1 2 297.362 2.194 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000347067489 533110546 /nfs/dbraw/zinc/11/05/46/533110546.db2.gz KODAFGPBQFMRDI-KKTNHOPESA-N 1 2 283.375 2.004 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](n3cccn3)C2)n1 ZINC000356225882 394565624 /nfs/dbraw/zinc/56/56/24/394565624.db2.gz VWCBUDRSVXSYIC-LBPRGKRZSA-N 1 2 273.365 2.048 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@H](n3cccn3)C2)n1 ZINC000356225882 394565628 /nfs/dbraw/zinc/56/56/28/394565628.db2.gz VWCBUDRSVXSYIC-LBPRGKRZSA-N 1 2 273.365 2.048 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)c(C)[nH+]1 ZINC000329596547 394575929 /nfs/dbraw/zinc/57/59/29/394575929.db2.gz VVLREHSLMPQAFA-OUCADQQQSA-N 1 2 276.336 2.338 20 30 CEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@@]12CCOC2 ZINC000329658347 394580031 /nfs/dbraw/zinc/58/00/31/394580031.db2.gz NJGHWCXNSAVTFJ-DVOMOZLQSA-N 1 2 287.363 2.043 20 30 CEEDLO N#Cc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)[nH]1 ZINC000355769600 394525548 /nfs/dbraw/zinc/52/55/48/394525548.db2.gz INGZSPDAJYLLKZ-UHFFFAOYSA-N 1 2 290.286 2.175 20 30 CEEDLO C=C(C)CCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413318342 394525653 /nfs/dbraw/zinc/52/56/53/394525653.db2.gz RZOUXZDZTAXCPL-STQMWFEESA-N 1 2 276.384 2.062 20 30 CEEDLO C=C(C)CCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413318342 394525657 /nfs/dbraw/zinc/52/56/57/394525657.db2.gz RZOUXZDZTAXCPL-STQMWFEESA-N 1 2 276.384 2.062 20 30 CEEDLO CC(C)(CC#N)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000413398693 394543508 /nfs/dbraw/zinc/54/35/08/394543508.db2.gz ACLJTIKCKBMLAE-UHFFFAOYSA-N 1 2 291.424 2.382 20 30 CEEDLO CC(C)(CC#N)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000413398693 394543512 /nfs/dbraw/zinc/54/35/12/394543512.db2.gz ACLJTIKCKBMLAE-UHFFFAOYSA-N 1 2 291.424 2.382 20 30 CEEDLO CC(C)(C)CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330427864 394608085 /nfs/dbraw/zinc/60/80/85/394608085.db2.gz GSIDYDGBCCYZKX-UHFFFAOYSA-N 1 2 285.432 2.037 20 30 CEEDLO CC(C)(C)CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330427864 394608088 /nfs/dbraw/zinc/60/80/88/394608088.db2.gz GSIDYDGBCCYZKX-UHFFFAOYSA-N 1 2 285.432 2.037 20 30 CEEDLO CC(C)c1nc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cs1 ZINC000330617185 394621927 /nfs/dbraw/zinc/62/19/27/394621927.db2.gz FPROFXUFVMEEKK-LLVKDONJSA-N 1 2 297.424 2.292 20 30 CEEDLO CC(C)c1nc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cs1 ZINC000330617185 394621930 /nfs/dbraw/zinc/62/19/30/394621930.db2.gz FPROFXUFVMEEKK-LLVKDONJSA-N 1 2 297.424 2.292 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C2(C#N)CCC2)c1C ZINC000265592186 394650507 /nfs/dbraw/zinc/65/05/07/394650507.db2.gz KEOPASANJRYLOB-UHFFFAOYSA-N 1 2 287.363 2.359 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000267216252 394673876 /nfs/dbraw/zinc/67/38/76/394673876.db2.gz RTNLJKVVLIUSQL-AWEZNQCLSA-N 1 2 285.391 2.195 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000267216252 394673881 /nfs/dbraw/zinc/67/38/81/394673881.db2.gz RTNLJKVVLIUSQL-AWEZNQCLSA-N 1 2 285.391 2.195 20 30 CEEDLO N#CCc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334326690 394675030 /nfs/dbraw/zinc/67/50/30/394675030.db2.gz BPZRNAZZWYTWEC-ZDUSSCGKSA-N 1 2 295.346 2.155 20 30 CEEDLO N#CCc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334326690 394675034 /nfs/dbraw/zinc/67/50/34/394675034.db2.gz BPZRNAZZWYTWEC-ZDUSSCGKSA-N 1 2 295.346 2.155 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc(OC)c1OC ZINC000271121398 394747629 /nfs/dbraw/zinc/74/76/29/394747629.db2.gz ICTRKOUZACTCCT-LLVKDONJSA-N 1 2 278.352 2.304 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(OC)c1OC ZINC000271121398 394747631 /nfs/dbraw/zinc/74/76/31/394747631.db2.gz ICTRKOUZACTCCT-LLVKDONJSA-N 1 2 278.352 2.304 20 30 CEEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(C#N)CC1 ZINC000271211610 394752182 /nfs/dbraw/zinc/75/21/82/394752182.db2.gz HVHVDJUGSMKIAP-LLVKDONJSA-N 1 2 282.347 2.370 20 30 CEEDLO C=CCOc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000359467642 394755827 /nfs/dbraw/zinc/75/58/27/394755827.db2.gz ZMTSQXXXPJJEIJ-UHFFFAOYSA-N 1 2 283.331 2.104 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1ncc(Cl)c(C)c1C#N)CC2 ZINC000360324692 394797259 /nfs/dbraw/zinc/79/72/59/394797259.db2.gz XQXYTGOPIORQPU-UHFFFAOYSA-N 1 2 287.754 2.440 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(=O)OC ZINC000361112444 394817133 /nfs/dbraw/zinc/81/71/33/394817133.db2.gz YFQHGEOPXAWUEZ-ZNMIVQPWSA-N 1 2 281.396 2.313 20 30 CEEDLO Cc1cccc2nc(C[N@H+](CCC#N)CC3CC3)cc(=O)n12 ZINC000362174215 394847945 /nfs/dbraw/zinc/84/79/45/394847945.db2.gz VGBCCGDTJRCYGX-UHFFFAOYSA-N 1 2 296.374 2.129 20 30 CEEDLO Cc1cccc2nc(C[N@@H+](CCC#N)CC3CC3)cc(=O)n12 ZINC000362174215 394847948 /nfs/dbraw/zinc/84/79/48/394847948.db2.gz VGBCCGDTJRCYGX-UHFFFAOYSA-N 1 2 296.374 2.129 20 30 CEEDLO N#C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@]12C(=O)Nc1ccccc12 ZINC000336383610 394849752 /nfs/dbraw/zinc/84/97/52/394849752.db2.gz BCQNZCUEWPTEON-SJKOYZFVSA-N 1 2 293.326 2.125 20 30 CEEDLO N#C[C@@H]1C[N@H+](Cc2ccco2)C[C@@]12C(=O)Nc1ccccc12 ZINC000336383610 394849756 /nfs/dbraw/zinc/84/97/56/394849756.db2.gz BCQNZCUEWPTEON-SJKOYZFVSA-N 1 2 293.326 2.125 20 30 CEEDLO C=C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000362378830 394858380 /nfs/dbraw/zinc/85/83/80/394858380.db2.gz HFMAYQLSGPLHJJ-KBPBESRZSA-N 1 2 288.395 2.044 20 30 CEEDLO C#CCCCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000367087048 394957319 /nfs/dbraw/zinc/95/73/19/394957319.db2.gz OBIFJXXPQSFWKG-INIZCTEOSA-N 1 2 288.366 2.492 20 30 CEEDLO Cc1ccc2nc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc(=O)n2c1 ZINC000338371155 394917365 /nfs/dbraw/zinc/91/73/65/394917365.db2.gz GCEYCKAZNVQJAJ-ZDUSSCGKSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1ccc2nc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc(=O)n2c1 ZINC000338371155 394917367 /nfs/dbraw/zinc/91/73/67/394917367.db2.gz GCEYCKAZNVQJAJ-ZDUSSCGKSA-N 1 2 296.374 2.127 20 30 CEEDLO CCCCCCCCCC(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365955780 394935796 /nfs/dbraw/zinc/93/57/96/394935796.db2.gz OSVIABZUTGLJIZ-UONOGXRCSA-N 1 2 298.427 2.147 20 30 CEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000284022858 394940517 /nfs/dbraw/zinc/94/05/17/394940517.db2.gz IENSLLIOQZNLQH-ZWNOBZJWSA-N 1 2 259.309 2.087 20 30 CEEDLO C=C(C)C[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000284928088 394951495 /nfs/dbraw/zinc/95/14/95/394951495.db2.gz UJXBJRADOYESSP-NEPJUHHUSA-N 1 2 262.357 2.020 20 30 CEEDLO C=C(C)C[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000284928088 394951498 /nfs/dbraw/zinc/95/14/98/394951498.db2.gz UJXBJRADOYESSP-NEPJUHHUSA-N 1 2 262.357 2.020 20 30 CEEDLO C=CCC(CC=C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286001276 394998221 /nfs/dbraw/zinc/99/82/21/394998221.db2.gz YKNRMIRDHHJJFK-GOEBONIOSA-N 1 2 292.423 2.076 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)OCC ZINC000339466619 394962267 /nfs/dbraw/zinc/96/22/67/394962267.db2.gz HNWQEBVKFKMTIZ-KGLIPLIRSA-N 1 2 291.395 2.107 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000339757447 394969702 /nfs/dbraw/zinc/96/97/02/394969702.db2.gz RQQRHOQJAQFJGE-UHFFFAOYSA-N 1 2 299.418 2.489 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000339757447 394969704 /nfs/dbraw/zinc/96/97/04/394969704.db2.gz RQQRHOQJAQFJGE-UHFFFAOYSA-N 1 2 299.418 2.489 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C)n1)Cc1ccccc1 ZINC000289360108 395075839 /nfs/dbraw/zinc/07/58/39/395075839.db2.gz IOQOEDAUMMHKQQ-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C)n1)Cc1ccccc1 ZINC000289360108 395075842 /nfs/dbraw/zinc/07/58/42/395075842.db2.gz IOQOEDAUMMHKQQ-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO C=CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc(OC)c1O ZINC000374275934 395078968 /nfs/dbraw/zinc/07/89/68/395078968.db2.gz XAPHEFAOZPWKQX-GASCZTMLSA-N 1 2 289.375 2.493 20 30 CEEDLO C=CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(OC)c1O ZINC000374275934 395078972 /nfs/dbraw/zinc/07/89/72/395078972.db2.gz XAPHEFAOZPWKQX-GASCZTMLSA-N 1 2 289.375 2.493 20 30 CEEDLO COCC1(C#N)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000343139261 395032547 /nfs/dbraw/zinc/03/25/47/395032547.db2.gz JSJMAPCUCJWTMV-UHFFFAOYSA-N 1 2 286.379 2.419 20 30 CEEDLO COCC1(C#N)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000343148895 395032643 /nfs/dbraw/zinc/03/26/43/395032643.db2.gz NRBLIWZJLBHJOS-UHFFFAOYSA-N 1 2 274.368 2.158 20 30 CEEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(C)c(F)c2)n1 ZINC000174118824 395120773 /nfs/dbraw/zinc/12/07/73/395120773.db2.gz FORHJDHJNDRUSF-UHFFFAOYSA-N 1 2 292.314 2.307 20 30 CEEDLO C=C(C)C[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000172562923 395104877 /nfs/dbraw/zinc/10/48/77/395104877.db2.gz XXMZVFWVNLUQFJ-UHFFFAOYSA-N 1 2 251.761 2.433 20 30 CEEDLO N#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000176608038 395141031 /nfs/dbraw/zinc/14/10/31/395141031.db2.gz MALMBBJYKXOTMI-HNNXBMFYSA-N 1 2 296.374 2.465 20 30 CEEDLO CC(C)n1cc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348710337 395149720 /nfs/dbraw/zinc/14/97/20/395149720.db2.gz OPADWZYYGXVRDB-UHFFFAOYSA-N 1 2 250.321 2.292 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCc1c[nH+]ccc1OC ZINC000293244104 395225896 /nfs/dbraw/zinc/22/58/96/395225896.db2.gz DQYHVCXXNJUJHB-LBPRGKRZSA-N 1 2 263.341 2.244 20 30 CEEDLO C=C(CNC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000350948866 395189217 /nfs/dbraw/zinc/18/92/17/395189217.db2.gz JFJGVEMUJSRUHA-CQSZACIVSA-N 1 2 284.363 2.284 20 30 CEEDLO C[C@H](CCC#N)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000351179140 395192740 /nfs/dbraw/zinc/19/27/40/395192740.db2.gz DDYGIPOMGGASPK-CABCVRRESA-N 1 2 272.396 2.452 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000293823638 395252197 /nfs/dbraw/zinc/25/21/97/395252197.db2.gz PCNIWPODYNVFBF-INIZCTEOSA-N 1 2 289.375 2.163 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000293823638 395252202 /nfs/dbraw/zinc/25/22/02/395252202.db2.gz PCNIWPODYNVFBF-INIZCTEOSA-N 1 2 289.375 2.163 20 30 CEEDLO C=CCOCCN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000293108802 395219250 /nfs/dbraw/zinc/21/92/50/395219250.db2.gz OIGUJOJVLVXWHN-UHFFFAOYSA-N 1 2 290.407 2.015 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCCOC(C)C)ccc1F ZINC000181597723 395220686 /nfs/dbraw/zinc/22/06/86/395220686.db2.gz FNNFITNTIBCVEI-UHFFFAOYSA-N 1 2 254.305 2.196 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000352427430 395252916 /nfs/dbraw/zinc/25/29/16/395252916.db2.gz GZMNJFINAKBIGU-LLVKDONJSA-N 1 2 288.273 2.001 20 30 CEEDLO N#CCC[N@H+](CCc1cncs1)Cc1ccccn1 ZINC000411338436 395327139 /nfs/dbraw/zinc/32/71/39/395327139.db2.gz WZHOPYMAGRGVNA-UHFFFAOYSA-N 1 2 272.377 2.496 20 30 CEEDLO N#CCC[N@@H+](CCc1cncs1)Cc1ccccn1 ZINC000411338436 395327141 /nfs/dbraw/zinc/32/71/41/395327141.db2.gz WZHOPYMAGRGVNA-UHFFFAOYSA-N 1 2 272.377 2.496 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411208098 395321173 /nfs/dbraw/zinc/32/11/73/395321173.db2.gz KORYAZLBVIHIBK-DOMZBBRYSA-N 1 2 289.354 2.413 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411208098 395321177 /nfs/dbraw/zinc/32/11/77/395321177.db2.gz KORYAZLBVIHIBK-DOMZBBRYSA-N 1 2 289.354 2.413 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCCNC1=O ZINC000411184279 395321508 /nfs/dbraw/zinc/32/15/08/395321508.db2.gz FGGRJLUOLTXUPI-AWEZNQCLSA-N 1 2 262.328 2.092 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCCNC1=O ZINC000411184279 395321512 /nfs/dbraw/zinc/32/15/12/395321512.db2.gz FGGRJLUOLTXUPI-AWEZNQCLSA-N 1 2 262.328 2.092 20 30 CEEDLO C=C[C@](C)(O)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000352922463 395276919 /nfs/dbraw/zinc/27/69/19/395276919.db2.gz PDMVSFJGUYAUOF-HNNXBMFYSA-N 1 2 271.320 2.138 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000435696033 395383505 /nfs/dbraw/zinc/38/35/05/395383505.db2.gz HQUSZEAMZXZFTK-UHFFFAOYSA-N 1 2 294.314 2.346 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)OC)ccc1F ZINC000573576405 395610539 /nfs/dbraw/zinc/61/05/39/395610539.db2.gz NFHWIADCWNVTHK-GFCCVEGCSA-N 1 2 264.300 2.394 20 30 CEEDLO CCO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000449492377 395551100 /nfs/dbraw/zinc/55/11/00/395551100.db2.gz BWCMBJQVMAWOOW-PWSUYJOCSA-N 1 2 265.382 2.262 20 30 CEEDLO CCO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000449492377 395551101 /nfs/dbraw/zinc/55/11/01/395551101.db2.gz BWCMBJQVMAWOOW-PWSUYJOCSA-N 1 2 265.382 2.262 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CCOCC1 ZINC000569112132 395573665 /nfs/dbraw/zinc/57/36/65/395573665.db2.gz OBIVIPAMXATPDR-STQMWFEESA-N 1 2 289.379 2.378 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000569738683 395580241 /nfs/dbraw/zinc/58/02/41/395580241.db2.gz FUGBQQASUHDYQV-DGCLKSJQSA-N 1 2 287.363 2.498 20 30 CEEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1F ZINC000570726434 395583414 /nfs/dbraw/zinc/58/34/14/395583414.db2.gz ARGPSNAWROZGRW-WBMJQRKESA-N 1 2 291.370 2.279 20 30 CEEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cocn2)CC1 ZINC000571822046 395584747 /nfs/dbraw/zinc/58/47/47/395584747.db2.gz RXTIFXSWNZTJOL-UHFFFAOYSA-N 1 2 268.320 2.127 20 30 CEEDLO CO[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000459444876 395666172 /nfs/dbraw/zinc/66/61/72/395666172.db2.gz MELGHMUDPRXVMF-IAQYHMDHSA-N 1 2 289.335 2.323 20 30 CEEDLO CO[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1C ZINC000459444876 395666173 /nfs/dbraw/zinc/66/61/73/395666173.db2.gz MELGHMUDPRXVMF-IAQYHMDHSA-N 1 2 289.335 2.323 20 30 CEEDLO C#C[C@H](NCc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1 ZINC000491415137 395669450 /nfs/dbraw/zinc/66/94/50/395669450.db2.gz GRRMAISWFYNWAO-HNNXBMFYSA-N 1 2 286.354 2.089 20 30 CEEDLO C=CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000649497378 396171171 /nfs/dbraw/zinc/17/11/71/396171171.db2.gz GBDVMPLEFHPQTH-AWEZNQCLSA-N 1 2 284.363 2.189 20 30 CEEDLO C=CCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000175115349 400287124 /nfs/dbraw/zinc/28/71/24/400287124.db2.gz ITMWBJBRWQSVFT-UHFFFAOYSA-N 1 2 265.382 2.426 20 30 CEEDLO C=CCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000175115349 400287130 /nfs/dbraw/zinc/28/71/30/400287130.db2.gz ITMWBJBRWQSVFT-UHFFFAOYSA-N 1 2 265.382 2.426 20 30 CEEDLO Cc1nc(N(C)Cc2ccc(N)[nH+]c2)c(Cl)cc1C#N ZINC000360047048 155202867 /nfs/dbraw/zinc/20/28/67/155202867.db2.gz IYYZREXOFOAVMV-UHFFFAOYSA-N 1 2 287.754 2.359 20 30 CEEDLO CCC1(CC)C[N@H+](Cc2cc(C#N)n(C)c2)CC[S@@]1=O ZINC000191502835 153176861 /nfs/dbraw/zinc/17/68/61/153176861.db2.gz NKNISFFDVZRJHX-FQEVSTJZSA-N 1 2 293.436 2.020 20 30 CEEDLO CCC1(CC)C[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@@]1=O ZINC000191502835 153176865 /nfs/dbraw/zinc/17/68/65/153176865.db2.gz NKNISFFDVZRJHX-FQEVSTJZSA-N 1 2 293.436 2.020 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192163401 153201787 /nfs/dbraw/zinc/20/17/87/153201787.db2.gz IJMJFHUUQGQATJ-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192163401 153201791 /nfs/dbraw/zinc/20/17/91/153201791.db2.gz IJMJFHUUQGQATJ-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1[nH+]ccn1C ZINC000359511280 155037369 /nfs/dbraw/zinc/03/73/69/155037369.db2.gz WAURIYGDIZAPCX-UHFFFAOYSA-N 1 2 295.321 2.322 20 30 CEEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nnc2n1CCCCC2 ZINC000376554678 157246542 /nfs/dbraw/zinc/24/65/42/157246542.db2.gz VDFGEAAYSILIKC-GFCCVEGCSA-N 1 2 298.394 2.065 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000652565432 414751583 /nfs/dbraw/zinc/75/15/83/414751583.db2.gz TUEWTHXGZSCXJA-OLZOCXBDSA-N 1 2 286.335 2.189 20 30 CEEDLO COC1(c2ccccc2)C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000459551793 414818328 /nfs/dbraw/zinc/81/83/28/414818328.db2.gz PJBRIOJAWWLANI-UHFFFAOYSA-N 1 2 281.359 2.254 20 30 CEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000660704955 414941489 /nfs/dbraw/zinc/94/14/89/414941489.db2.gz JBYJQMMTWBZOCI-QWHCGFSZSA-N 1 2 276.384 2.354 20 30 CEEDLO Clc1cccc(C#CCN2CCn3c[nH+]cc3C2)c1 ZINC000660581752 414884725 /nfs/dbraw/zinc/88/47/25/414884725.db2.gz HKYOZTDLIIWRRT-UHFFFAOYSA-N 1 2 271.751 2.404 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000663240874 414892135 /nfs/dbraw/zinc/89/21/35/414892135.db2.gz DLULQOPSWBEZKK-GFCCVEGCSA-N 1 2 264.373 2.316 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654645123 414994444 /nfs/dbraw/zinc/99/44/44/414994444.db2.gz BFLCDZALZXMDJE-SECBINFHSA-N 1 2 275.274 2.165 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654645123 414994445 /nfs/dbraw/zinc/99/44/45/414994445.db2.gz BFLCDZALZXMDJE-SECBINFHSA-N 1 2 275.274 2.165 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](C)c2c(C)noc2C)nn1 ZINC000653605419 415051759 /nfs/dbraw/zinc/05/17/59/415051759.db2.gz WFDGZWBQJJJCML-SNVBAGLBSA-N 1 2 275.356 2.310 20 30 CEEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2c(C)noc2C)nn1 ZINC000653674774 415071327 /nfs/dbraw/zinc/07/13/27/415071327.db2.gz YZBYVPDUDSWGQZ-UHFFFAOYSA-N 1 2 289.383 2.484 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)CCOC(C)(C)C)nn1 ZINC000653571456 415040655 /nfs/dbraw/zinc/04/06/55/415040655.db2.gz MBZMONCLHLXDKV-UHFFFAOYSA-N 1 2 266.389 2.101 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)CCOC(C)(C)C)nn1 ZINC000653571456 415040659 /nfs/dbraw/zinc/04/06/59/415040659.db2.gz MBZMONCLHLXDKV-UHFFFAOYSA-N 1 2 266.389 2.101 20 30 CEEDLO C=CC[N@H+](Cc1nncn1-c1ccccc1)[C@@H](C)COC ZINC000661239777 415152954 /nfs/dbraw/zinc/15/29/54/415152954.db2.gz JDHCYEZABOAYNM-AWEZNQCLSA-N 1 2 286.379 2.290 20 30 CEEDLO C=CC[N@@H+](Cc1nncn1-c1ccccc1)[C@@H](C)COC ZINC000661239777 415152959 /nfs/dbraw/zinc/15/29/59/415152959.db2.gz JDHCYEZABOAYNM-AWEZNQCLSA-N 1 2 286.379 2.290 20 30 CEEDLO C=CC[N@H+](Cc1nc(-c2ccccn2)no1)[C@H](C)COC ZINC000661243587 415154391 /nfs/dbraw/zinc/15/43/91/415154391.db2.gz LWNUKGALRJGTDU-GFCCVEGCSA-N 1 2 288.351 2.155 20 30 CEEDLO C=CC[N@@H+](Cc1nc(-c2ccccn2)no1)[C@H](C)COC ZINC000661243587 415154396 /nfs/dbraw/zinc/15/43/96/415154396.db2.gz LWNUKGALRJGTDU-GFCCVEGCSA-N 1 2 288.351 2.155 20 30 CEEDLO C[C@@H]1C[NH+](CCOc2ccccc2C#N)C[C@@H](C)C1=O ZINC000661551043 415322383 /nfs/dbraw/zinc/32/23/83/415322383.db2.gz DYKDBHHYLILUEB-CHWSQXEVSA-N 1 2 272.348 2.094 20 30 CEEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000329254082 227385044 /nfs/dbraw/zinc/38/50/44/227385044.db2.gz WQWXCCNHLGNCES-PWSUYJOCSA-N 1 2 251.330 2.256 20 30 CEEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000329254082 227385050 /nfs/dbraw/zinc/38/50/50/227385050.db2.gz WQWXCCNHLGNCES-PWSUYJOCSA-N 1 2 251.330 2.256 20 30 CEEDLO N#CCC1(CNc2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000330113359 227031799 /nfs/dbraw/zinc/03/17/99/227031799.db2.gz CTNZKICLJQTUHW-UHFFFAOYSA-N 1 2 268.364 2.370 20 30 CEEDLO Cc1ncoc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329990645 228009509 /nfs/dbraw/zinc/00/95/09/228009509.db2.gz JFBBLZABSVCBGJ-UHFFFAOYSA-N 1 2 274.324 2.063 20 30 CEEDLO Cc1nc(CC2CC2)oc1C(=O)NCc1[nH+]ccn1C ZINC000330012224 228016191 /nfs/dbraw/zinc/01/61/91/228016191.db2.gz KFQRUXIVRUIOPP-UHFFFAOYSA-N 1 2 274.324 2.174 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000330081459 228034669 /nfs/dbraw/zinc/03/46/69/228034669.db2.gz JWTRXYHGDNYWOF-NWDGAFQWSA-N 1 2 278.356 2.403 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667250456 419598043 /nfs/dbraw/zinc/59/80/43/419598043.db2.gz OUXWWRPUGNNTQT-RYUDHWBXSA-N 1 2 262.357 2.231 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000298494659 260155329 /nfs/dbraw/zinc/15/53/29/260155329.db2.gz JSQXCERUDCQRRW-UHFFFAOYSA-N 1 2 286.404 2.217 20 30 CEEDLO C#CC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000298494659 260155331 /nfs/dbraw/zinc/15/53/31/260155331.db2.gz JSQXCERUDCQRRW-UHFFFAOYSA-N 1 2 286.404 2.217 20 30 CEEDLO C=C(Cl)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000298745871 260162678 /nfs/dbraw/zinc/16/26/78/260162678.db2.gz CDQUIGYBRDIOTF-GFCCVEGCSA-N 1 2 273.785 2.114 20 30 CEEDLO C#CC[NH+](CC#C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000299185460 260174541 /nfs/dbraw/zinc/17/45/41/260174541.db2.gz BXWOGGFOHQEKRN-LBPRGKRZSA-N 1 2 259.305 2.004 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000517583103 260195021 /nfs/dbraw/zinc/19/50/21/260195021.db2.gz HKEQYHDNRDCGII-WDEREUQCSA-N 1 2 289.335 2.024 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC#N)C[C@@H](C)O1 ZINC000153603444 261080934 /nfs/dbraw/zinc/08/09/34/261080934.db2.gz SQEGOTQDIBVBCN-CHWSQXEVSA-N 1 2 287.363 2.148 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000161747939 261259007 /nfs/dbraw/zinc/25/90/07/261259007.db2.gz RJVNTSLVADQHHE-GFCCVEGCSA-N 1 2 259.353 2.122 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000161747939 261259009 /nfs/dbraw/zinc/25/90/09/261259009.db2.gz RJVNTSLVADQHHE-GFCCVEGCSA-N 1 2 259.353 2.122 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000491754006 262006464 /nfs/dbraw/zinc/00/64/64/262006464.db2.gz QYCARLBMDNTDJI-SNVBAGLBSA-N 1 2 273.361 2.188 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000491754006 262006466 /nfs/dbraw/zinc/00/64/66/262006466.db2.gz QYCARLBMDNTDJI-SNVBAGLBSA-N 1 2 273.361 2.188 20 30 CEEDLO C#C[C@H](NC(=O)/C=C\c1[nH+]ccn1CC)C(C)(C)C ZINC000491808574 262074028 /nfs/dbraw/zinc/07/40/28/262074028.db2.gz VEEABFSCWPKKHI-LAUAKBEESA-N 1 2 259.353 2.080 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000491817289 262089582 /nfs/dbraw/zinc/08/95/82/262089582.db2.gz YHNMPHDJYWTFQA-GFCCVEGCSA-N 1 2 284.319 2.369 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000491817289 262089584 /nfs/dbraw/zinc/08/95/84/262089584.db2.gz YHNMPHDJYWTFQA-GFCCVEGCSA-N 1 2 284.319 2.369 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186935985 262117409 /nfs/dbraw/zinc/11/74/09/262117409.db2.gz HTVNOUFJYFDISM-LBPRGKRZSA-N 1 2 271.364 2.330 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186935985 262117411 /nfs/dbraw/zinc/11/74/11/262117411.db2.gz HTVNOUFJYFDISM-LBPRGKRZSA-N 1 2 271.364 2.330 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)CC(F)(F)F ZINC000189511185 262172332 /nfs/dbraw/zinc/17/23/32/262172332.db2.gz NZTJDDCATJDWSZ-GFCCVEGCSA-N 1 2 287.285 2.111 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)CC(F)(F)F ZINC000189511185 262172333 /nfs/dbraw/zinc/17/23/33/262172333.db2.gz NZTJDDCATJDWSZ-GFCCVEGCSA-N 1 2 287.285 2.111 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000411316979 262689271 /nfs/dbraw/zinc/68/92/71/262689271.db2.gz NJWUYTKTEWJLSH-CHWSQXEVSA-N 1 2 294.420 2.382 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000411316979 262689272 /nfs/dbraw/zinc/68/92/72/262689272.db2.gz NJWUYTKTEWJLSH-CHWSQXEVSA-N 1 2 294.420 2.382 20 30 CEEDLO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ncn(C)n1 ZINC000411605238 262699953 /nfs/dbraw/zinc/69/99/53/262699953.db2.gz PSSWMSQMUVQQNT-GFCCVEGCSA-N 1 2 261.373 2.330 20 30 CEEDLO N#CCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272605789 263007585 /nfs/dbraw/zinc/00/75/85/263007585.db2.gz ZCDSSGKVFAWUQQ-UHFFFAOYSA-N 1 2 272.274 2.452 20 30 CEEDLO C[C@@H]1C[C@@H](CC/[NH+]=C/c2ccc(O)c(O)c2O)CCO1 ZINC000273364889 263015930 /nfs/dbraw/zinc/01/59/30/263015930.db2.gz UGQMFGWOSQYPLN-BWQAPMFPSA-N 1 2 279.336 2.428 20 30 CEEDLO CC[C@H](CC#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000273896711 263020310 /nfs/dbraw/zinc/02/03/10/263020310.db2.gz UYCWDZWDVZKZIY-OAHLLOKOSA-N 1 2 282.347 2.353 20 30 CEEDLO CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000274359171 263023588 /nfs/dbraw/zinc/02/35/88/263023588.db2.gz SYSLERNKDJBOMZ-HNNXBMFYSA-N 1 2 270.336 2.392 20 30 CEEDLO COCCSCCCO[NH+]=C(N)COc1ccccc1 ZINC000278341487 263047090 /nfs/dbraw/zinc/04/70/90/263047090.db2.gz YDRFQCXLUQTDEN-UHFFFAOYSA-N 1 2 298.408 2.124 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccs3)CC2)C1 ZINC000278562520 263048877 /nfs/dbraw/zinc/04/88/77/263048877.db2.gz IOEIRXGUZRVGEI-CHWSQXEVSA-N 1 2 289.404 2.198 20 30 CEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccs3)CC2)C1 ZINC000278562526 263048985 /nfs/dbraw/zinc/04/89/85/263048985.db2.gz IOEIRXGUZRVGEI-STQMWFEESA-N 1 2 289.404 2.198 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCOC[C@H]2C)c1 ZINC000285234661 263091487 /nfs/dbraw/zinc/09/14/87/263091487.db2.gz GBVZULOULRYKRF-QPBATNEMSA-N 1 2 263.337 2.492 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCCOC2CCC2)cc1F ZINC000288572593 263104916 /nfs/dbraw/zinc/10/49/16/263104916.db2.gz KHJNGFDAKBQCBR-UHFFFAOYSA-N 1 2 266.316 2.340 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCc1ccccc1C(=O)OC ZINC000292343599 263131357 /nfs/dbraw/zinc/13/13/57/263131357.db2.gz XDBAZWPQGLMGQZ-UHFFFAOYSA-N 1 2 272.348 2.417 20 30 CEEDLO C=CC[N@H+](CCC#N)CCc1ccccc1C(=O)OC ZINC000292343599 263131358 /nfs/dbraw/zinc/13/13/58/263131358.db2.gz XDBAZWPQGLMGQZ-UHFFFAOYSA-N 1 2 272.348 2.417 20 30 CEEDLO CCC[C@H](C)C(=O)NCC/[NH+]=C/c1cc(OC)ccc1O ZINC000292348742 263131362 /nfs/dbraw/zinc/13/13/62/263131362.db2.gz PSKKIRDNZIKQFT-OOIIIRTPSA-N 1 2 292.379 2.372 20 30 CEEDLO N#CCCCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000292493626 263132868 /nfs/dbraw/zinc/13/28/68/263132868.db2.gz FHTWQVVAUMOKCB-UHFFFAOYSA-N 1 2 286.379 2.382 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000292825880 263135296 /nfs/dbraw/zinc/13/52/96/263135296.db2.gz OKRNGDPBLGGTII-CYBMUJFWSA-N 1 2 266.366 2.052 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000292825880 263135297 /nfs/dbraw/zinc/13/52/97/263135297.db2.gz OKRNGDPBLGGTII-CYBMUJFWSA-N 1 2 266.366 2.052 20 30 CEEDLO C[C@@](CO)([NH2+]CCC#N)c1ccc(Br)cc1 ZINC000298555514 263222157 /nfs/dbraw/zinc/22/21/57/263222157.db2.gz OQKZHLIUVPTQJP-LBPRGKRZSA-N 1 2 283.169 2.160 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000299150437 263231773 /nfs/dbraw/zinc/23/17/73/263231773.db2.gz FAIXTBGUSPJWLC-WCQYABFASA-N 1 2 282.771 2.171 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000299150437 263231774 /nfs/dbraw/zinc/23/17/74/263231774.db2.gz FAIXTBGUSPJWLC-WCQYABFASA-N 1 2 282.771 2.171 20 30 CEEDLO C=C(C)[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)OCC ZINC000341717028 263347701 /nfs/dbraw/zinc/34/77/01/263347701.db2.gz ICDAROKQSHBEND-ZFWWWQNUSA-N 1 2 291.395 2.359 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC000341969391 263372137 /nfs/dbraw/zinc/37/21/37/263372137.db2.gz BYIVQPRBJGXMIW-UHFFFAOYSA-N 1 2 298.390 2.395 20 30 CEEDLO C=C(C)CCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000342010616 263377284 /nfs/dbraw/zinc/37/72/84/263377284.db2.gz AHRKDPNMPFQWHK-CYBMUJFWSA-N 1 2 270.442 2.238 20 30 CEEDLO COC(=O)c1oc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1C ZINC000330807092 264043394 /nfs/dbraw/zinc/04/33/94/264043394.db2.gz CSPTURCIINFWEH-ZYHUDNBSSA-N 1 2 262.309 2.157 20 30 CEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330833765 264050461 /nfs/dbraw/zinc/05/04/61/264050461.db2.gz KPPJLOVNPNOAQX-XQQFMLRXSA-N 1 2 289.383 2.073 20 30 CEEDLO CCc1nc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)sc1C ZINC000330850302 264068095 /nfs/dbraw/zinc/06/80/95/264068095.db2.gz QEDPNHAHKZMFLI-ZYHUDNBSSA-N 1 2 292.408 2.234 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331308682 264185313 /nfs/dbraw/zinc/18/53/13/264185313.db2.gz BKUBEFGXXFQZBQ-ZYHUDNBSSA-N 1 2 276.336 2.410 20 30 CEEDLO CCc1occc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331317257 264188312 /nfs/dbraw/zinc/18/83/12/264188312.db2.gz DEPOTGHFPCWDRM-UHFFFAOYSA-N 1 2 280.368 2.257 20 30 CEEDLO COC(=O)c1sccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331320609 264188908 /nfs/dbraw/zinc/18/89/08/264188908.db2.gz DZOZSQKYKHQMOQ-MWLCHTKSSA-N 1 2 264.350 2.317 20 30 CEEDLO CO[C@H](C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N)C1CC1 ZINC000425485605 264353794 /nfs/dbraw/zinc/35/37/94/264353794.db2.gz UNCYVLZRJNWTLZ-BZUAXINKSA-N 1 2 278.396 2.339 20 30 CEEDLO CO[C@H](C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N)C1CC1 ZINC000425485605 264353797 /nfs/dbraw/zinc/35/37/97/264353797.db2.gz UNCYVLZRJNWTLZ-BZUAXINKSA-N 1 2 278.396 2.339 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1conc1CC ZINC000293450812 264943402 /nfs/dbraw/zinc/94/34/02/264943402.db2.gz PIVOVEWBVPREPF-UHFFFAOYSA-N 1 2 279.384 2.093 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1conc1CC ZINC000293450812 264943406 /nfs/dbraw/zinc/94/34/06/264943406.db2.gz PIVOVEWBVPREPF-UHFFFAOYSA-N 1 2 279.384 2.093 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000356467636 266119749 /nfs/dbraw/zinc/11/97/49/266119749.db2.gz BOWDYMSRECVSJF-UONOGXRCSA-N 1 2 285.391 2.446 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000356467636 266119751 /nfs/dbraw/zinc/11/97/51/266119751.db2.gz BOWDYMSRECVSJF-UONOGXRCSA-N 1 2 285.391 2.446 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC(C)(C)C#N ZINC000359646648 266614130 /nfs/dbraw/zinc/61/41/30/266614130.db2.gz HJNKRXJKOCCMTD-UHFFFAOYSA-N 1 2 270.336 2.011 20 30 CEEDLO C[C@@H](C#N)CN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000361095528 266783541 /nfs/dbraw/zinc/78/35/41/266783541.db2.gz IKFSTTVAHAKOGK-ZDUSSCGKSA-N 1 2 297.362 2.173 20 30 CEEDLO CC[N@@H+](Cc1cccc(C#N)c1F)C[C@@H](O)C(F)(F)F ZINC000494208170 267070743 /nfs/dbraw/zinc/07/07/43/267070743.db2.gz JHYXWSDFQWCGPM-LLVKDONJSA-N 1 2 290.260 2.442 20 30 CEEDLO CC[N@H+](Cc1cccc(C#N)c1F)C[C@@H](O)C(F)(F)F ZINC000494208170 267070747 /nfs/dbraw/zinc/07/07/47/267070747.db2.gz JHYXWSDFQWCGPM-LLVKDONJSA-N 1 2 290.260 2.442 20 30 CEEDLO N#CCC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000368756852 267201504 /nfs/dbraw/zinc/20/15/04/267201504.db2.gz WAOYJZJNBHOZQE-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO N#CCC[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000368756852 267201509 /nfs/dbraw/zinc/20/15/09/267201509.db2.gz WAOYJZJNBHOZQE-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO C=C(Cl)CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000369490878 267246990 /nfs/dbraw/zinc/24/69/90/267246990.db2.gz DRNPGCRDDBYOFP-GFCCVEGCSA-N 1 2 279.771 2.167 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369874354 267273383 /nfs/dbraw/zinc/27/33/83/267273383.db2.gz PCCYESAIVMJFSP-AWEZNQCLSA-N 1 2 299.378 2.421 20 30 CEEDLO C=CCOc1ccccc1C[N@H+](CC)CC(=O)NCC ZINC000119312105 267321864 /nfs/dbraw/zinc/32/18/64/267321864.db2.gz RMLZKNKIGZEIPP-UHFFFAOYSA-N 1 2 276.380 2.209 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+](CC)CC(=O)NCC ZINC000119312105 267321862 /nfs/dbraw/zinc/32/18/62/267321862.db2.gz RMLZKNKIGZEIPP-UHFFFAOYSA-N 1 2 276.380 2.209 20 30 CEEDLO COc1cccc(C[NH2+]CC2(C#N)CCC2)c1OC ZINC000418136041 267367961 /nfs/dbraw/zinc/36/79/61/267367961.db2.gz BVHHTYSSWFYDNT-UHFFFAOYSA-N 1 2 260.337 2.487 20 30 CEEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373793286 267710759 /nfs/dbraw/zinc/71/07/59/267710759.db2.gz SWKIHXWHFPGEPW-GDBMZVCRSA-N 1 2 291.395 2.090 20 30 CEEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000373793286 267710765 /nfs/dbraw/zinc/71/07/65/267710765.db2.gz SWKIHXWHFPGEPW-GDBMZVCRSA-N 1 2 291.395 2.090 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)CCC#N)CC2 ZINC000377016439 268039967 /nfs/dbraw/zinc/03/99/67/268039967.db2.gz SSLKJWYWKVVNDD-UHFFFAOYSA-N 1 2 289.383 2.047 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000439435862 268222730 /nfs/dbraw/zinc/22/27/30/268222730.db2.gz HKRCEMMPYVQDRV-HNNXBMFYSA-N 1 2 292.766 2.203 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000439435862 268222733 /nfs/dbraw/zinc/22/27/33/268222733.db2.gz HKRCEMMPYVQDRV-HNNXBMFYSA-N 1 2 292.766 2.203 20 30 CEEDLO Cc1cc(C)c(CNc2cc(C)[nH+]cc2C#N)c(=O)[nH]1 ZINC000425205323 271138975 /nfs/dbraw/zinc/13/89/75/271138975.db2.gz VQAQDXNVKVNXQL-UHFFFAOYSA-N 1 2 268.320 2.013 20 30 CEEDLO COCC1=CC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428433229 271265351 /nfs/dbraw/zinc/26/53/51/271265351.db2.gz BKISTDNHCRNBKD-UHFFFAOYSA-N 1 2 260.312 2.476 20 30 CEEDLO COCC1=CC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428433229 271265355 /nfs/dbraw/zinc/26/53/55/271265355.db2.gz BKISTDNHCRNBKD-UHFFFAOYSA-N 1 2 260.312 2.476 20 30 CEEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352491534 277376679 /nfs/dbraw/zinc/37/66/79/277376679.db2.gz QUAWGGHMCOUAIZ-UHFFFAOYSA-N 1 2 297.418 2.455 20 30 CEEDLO C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329746626 278109697 /nfs/dbraw/zinc/10/96/97/278109697.db2.gz RWZZCRFJWDVWOI-VXGBXAGGSA-N 1 2 299.378 2.059 20 30 CEEDLO C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329746626 278109698 /nfs/dbraw/zinc/10/96/98/278109698.db2.gz RWZZCRFJWDVWOI-VXGBXAGGSA-N 1 2 299.378 2.059 20 30 CEEDLO CC[N@@H+](CC(=O)NC1CCCCCC1)C[C@H](C)C#N ZINC000049572991 279054091 /nfs/dbraw/zinc/05/40/91/279054091.db2.gz UJPDYLSMNDDVBK-CYBMUJFWSA-N 1 2 265.401 2.307 20 30 CEEDLO CC[N@H+](CC(=O)NC1CCCCCC1)C[C@H](C)C#N ZINC000049572991 279054094 /nfs/dbraw/zinc/05/40/94/279054094.db2.gz UJPDYLSMNDDVBK-CYBMUJFWSA-N 1 2 265.401 2.307 20 30 CEEDLO CC(C)Oc1ccc(NC(=O)Cn2cc[nH+]c2)cc1C#N ZINC000154008548 289131302 /nfs/dbraw/zinc/13/13/02/289131302.db2.gz CNDXCHNUEMOVGX-UHFFFAOYSA-N 1 2 284.319 2.181 20 30 CEEDLO N#Cc1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000301572805 303192724 /nfs/dbraw/zinc/19/27/24/303192724.db2.gz LINBBHIQLBXAHL-GFCCVEGCSA-N 1 2 253.309 2.408 20 30 CEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC3CCC3)cn2)n1 ZINC000157993135 327622397 /nfs/dbraw/zinc/62/23/97/327622397.db2.gz GZQBCXBMXHPJPP-UHFFFAOYSA-N 1 2 299.378 2.321 20 30 CEEDLO CC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nccs1 ZINC000573723973 314173513 /nfs/dbraw/zinc/17/35/13/314173513.db2.gz JLRPXRBVBUHZJI-LBPRGKRZSA-N 1 2 298.375 2.298 20 30 CEEDLO CC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nccs1 ZINC000573723972 314173758 /nfs/dbraw/zinc/17/37/58/314173758.db2.gz JLRPXRBVBUHZJI-GFCCVEGCSA-N 1 2 298.375 2.298 20 30 CEEDLO C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1[nH]cc[nH+]1 ZINC000577388254 314371942 /nfs/dbraw/zinc/37/19/42/314371942.db2.gz FJFFSKKTABLXRL-LLVKDONJSA-N 1 2 280.331 2.190 20 30 CEEDLO C=CCN(Cc1ccccc1F)C(=O)Cn1cc[nH+]c1 ZINC000563578215 328075001 /nfs/dbraw/zinc/07/50/01/328075001.db2.gz DNXCPELILXIGOV-UHFFFAOYSA-N 1 2 273.311 2.237 20 30 CEEDLO C[C@@H](CC(=O)N[C@@H](C#N)C1CCCCC1)n1cc[nH+]c1 ZINC000571170273 328090246 /nfs/dbraw/zinc/09/02/46/328090246.db2.gz YYOMMCYXKXJPBH-JSGCOSHPSA-N 1 2 274.368 2.423 20 30 CEEDLO CC1(C#N)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000571278536 328096872 /nfs/dbraw/zinc/09/68/72/328096872.db2.gz CTQBHBBTTJSYEM-CQSZACIVSA-N 1 2 294.358 2.304 20 30 CEEDLO C=CCCCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413234269 328143085 /nfs/dbraw/zinc/14/30/85/328143085.db2.gz QOOCCDDZDRCGIF-KBPBESRZSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CCCCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413234269 328143087 /nfs/dbraw/zinc/14/30/87/328143087.db2.gz QOOCCDDZDRCGIF-KBPBESRZSA-N 1 2 290.411 2.452 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000268336232 328183990 /nfs/dbraw/zinc/18/39/90/328183990.db2.gz YWMOOBAZVDPPOU-TVQRCGJNSA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000268336232 328183991 /nfs/dbraw/zinc/18/39/91/328183991.db2.gz YWMOOBAZVDPPOU-TVQRCGJNSA-N 1 2 254.280 2.232 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1OC ZINC000414470764 328184124 /nfs/dbraw/zinc/18/41/24/328184124.db2.gz MVVPAEORLCYMGG-AWEZNQCLSA-N 1 2 295.354 2.430 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1OC ZINC000414470764 328184126 /nfs/dbraw/zinc/18/41/26/328184126.db2.gz MVVPAEORLCYMGG-AWEZNQCLSA-N 1 2 295.354 2.430 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1OC ZINC000414470765 328184172 /nfs/dbraw/zinc/18/41/72/328184172.db2.gz MVVPAEORLCYMGG-CQSZACIVSA-N 1 2 295.354 2.430 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1OC ZINC000414470765 328184173 /nfs/dbraw/zinc/18/41/73/328184173.db2.gz MVVPAEORLCYMGG-CQSZACIVSA-N 1 2 295.354 2.430 20 30 CEEDLO CN(C)c1ccc(CNC(=O)c2ccc(CC#N)cc2)c[nH+]1 ZINC000340067437 328238038 /nfs/dbraw/zinc/23/80/38/328238038.db2.gz RSDQOZJYSNKFNI-UHFFFAOYSA-N 1 2 294.358 2.144 20 30 CEEDLO Cc1ccccc1CCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284442122 328245937 /nfs/dbraw/zinc/24/59/37/328245937.db2.gz PKZJJBLBABBMOC-CQSZACIVSA-N 1 2 262.353 2.395 20 30 CEEDLO C[N@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CC[C@H](C#N)C1 ZINC000293336385 328275277 /nfs/dbraw/zinc/27/52/77/328275277.db2.gz CZJXZNOIWNZVEP-BBRMVZONSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CC[C@H](C#N)C1 ZINC000293336385 328275278 /nfs/dbraw/zinc/27/52/78/328275278.db2.gz CZJXZNOIWNZVEP-BBRMVZONSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CC[C@H](C#N)C1 ZINC000293339181 328275338 /nfs/dbraw/zinc/27/53/38/328275338.db2.gz CZJXZNOIWNZVEP-XJKSGUPXSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@@H]1CC[C@H](C#N)C1 ZINC000293339181 328275340 /nfs/dbraw/zinc/27/53/40/328275340.db2.gz CZJXZNOIWNZVEP-XJKSGUPXSA-N 1 2 281.363 2.391 20 30 CEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCOC[C@@H]3C3CCC3)n2c1 ZINC000580647140 322332841 /nfs/dbraw/zinc/33/28/41/322332841.db2.gz ATKSQDGZBVGVFA-MRXNPFEDSA-N 1 2 296.374 2.207 20 30 CEEDLO N#Cc1ccc2ncc(C[N@H+]3CCOC[C@@H]3C3CCC3)n2c1 ZINC000580647140 322332843 /nfs/dbraw/zinc/33/28/43/322332843.db2.gz ATKSQDGZBVGVFA-MRXNPFEDSA-N 1 2 296.374 2.207 20 30 CEEDLO Cc1ccc(C2CC[NH+](Cc3ncc(C#N)cn3)CC2)cn1 ZINC000581777742 322423648 /nfs/dbraw/zinc/42/36/48/322423648.db2.gz ZKEIMMPHQBWFHS-UHFFFAOYSA-N 1 2 293.374 2.431 20 30 CEEDLO N#CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330594067 328464573 /nfs/dbraw/zinc/46/45/73/328464573.db2.gz AVTWFJSJFWVDOQ-UHFFFAOYSA-N 1 2 261.281 2.036 20 30 CEEDLO CCc1nc(C)c(NC(=O)N(C)Cc2[nH+]ccn2C)s1 ZINC000331206998 328478248 /nfs/dbraw/zinc/47/82/48/328478248.db2.gz UKJIBXABWGMVIR-UHFFFAOYSA-N 1 2 293.396 2.425 20 30 CEEDLO CN(CCC#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255910103 327029132 /nfs/dbraw/zinc/02/91/32/327029132.db2.gz KIZMGMDHQLKZLN-YVMONPNESA-N 1 2 280.331 2.258 20 30 CEEDLO N#C[C@H]1CC[C@@H]([N@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000584181484 327061156 /nfs/dbraw/zinc/06/11/56/327061156.db2.gz ZJXVXXJVWZKWTI-WCQYABFASA-N 1 2 255.321 2.133 20 30 CEEDLO N#C[C@H]1CC[C@@H]([N@@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000584181484 327061158 /nfs/dbraw/zinc/06/11/58/327061158.db2.gz ZJXVXXJVWZKWTI-WCQYABFASA-N 1 2 255.321 2.133 20 30 CEEDLO CC(C)c1nnc(C[NH+]2CCC(CCC#N)CC2)[nH]1 ZINC000564915892 327141941 /nfs/dbraw/zinc/14/19/41/327141941.db2.gz FAWRZDDOVRMCCX-UHFFFAOYSA-N 1 2 261.373 2.444 20 30 CEEDLO N#CCCNCc1[nH+]ccn1CCc1ccccc1 ZINC000569568882 327199097 /nfs/dbraw/zinc/19/90/97/327199097.db2.gz QRJADDFYYMNAEM-UHFFFAOYSA-N 1 2 254.337 2.129 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000559951874 327273353 /nfs/dbraw/zinc/27/33/53/327273353.db2.gz KBJUYUFCDGKNTN-MRXNPFEDSA-N 1 2 293.374 2.465 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000559951873 327273381 /nfs/dbraw/zinc/27/33/81/327273381.db2.gz KBJUYUFCDGKNTN-INIZCTEOSA-N 1 2 293.374 2.465 20 30 CEEDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000561235101 327377971 /nfs/dbraw/zinc/37/79/71/327377971.db2.gz VHAPHGKNVJLQIC-ZIAGYGMSSA-N 1 2 286.379 2.128 20 30 CEEDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000561235101 327377972 /nfs/dbraw/zinc/37/79/72/327377972.db2.gz VHAPHGKNVJLQIC-ZIAGYGMSSA-N 1 2 286.379 2.128 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccc(F)cc1 ZINC000582428500 328987826 /nfs/dbraw/zinc/98/78/26/328987826.db2.gz QCMYAVBRRJTQIY-INIZCTEOSA-N 1 2 291.370 2.108 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000377510981 329017219 /nfs/dbraw/zinc/01/72/19/329017219.db2.gz LMKRVHIPXWKDHG-LLVKDONJSA-N 1 2 270.174 2.429 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000377510981 329017221 /nfs/dbraw/zinc/01/72/21/329017221.db2.gz LMKRVHIPXWKDHG-LLVKDONJSA-N 1 2 270.174 2.429 20 30 CEEDLO CO/N=C/c1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000378407036 329049534 /nfs/dbraw/zinc/04/95/34/329049534.db2.gz VRGXWSARWCXTAY-YRIIZNAFSA-N 1 2 298.346 2.367 20 30 CEEDLO C=C(C)COCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177808915 329187335 /nfs/dbraw/zinc/18/73/35/329187335.db2.gz DGVAIXJANABFQH-UHFFFAOYSA-N 1 2 285.347 2.195 20 30 CEEDLO C=C1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000582792785 329205716 /nfs/dbraw/zinc/20/57/16/329205716.db2.gz YSSQYIGHFABQDY-ZDUSSCGKSA-N 1 2 266.291 2.143 20 30 CEEDLO C=C(Br)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189486832 329381861 /nfs/dbraw/zinc/38/18/61/329381861.db2.gz WKUGINBLKUQZNS-SSDOTTSWSA-N 1 2 276.096 2.140 20 30 CEEDLO C=C(Br)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189486832 329381863 /nfs/dbraw/zinc/38/18/63/329381863.db2.gz WKUGINBLKUQZNS-SSDOTTSWSA-N 1 2 276.096 2.140 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(C2CC2)no1 ZINC000189423640 329382066 /nfs/dbraw/zinc/38/20/66/329382066.db2.gz JCNSSDQUFLLNTH-JTQLQIEISA-N 1 2 251.330 2.142 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(C2CC2)no1 ZINC000189423640 329382068 /nfs/dbraw/zinc/38/20/68/329382068.db2.gz JCNSSDQUFLLNTH-JTQLQIEISA-N 1 2 251.330 2.142 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CC)c1ccccc1 ZINC000572056588 329940036 /nfs/dbraw/zinc/94/00/36/329940036.db2.gz UYEPPMWVLOXING-CYBMUJFWSA-N 1 2 259.353 2.321 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)nn1 ZINC000424300972 330337689 /nfs/dbraw/zinc/33/76/89/330337689.db2.gz YWKCMLQNDPJHBE-LBPRGKRZSA-N 1 2 296.378 2.202 20 30 CEEDLO N/C(=N/O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000083767354 330359210 /nfs/dbraw/zinc/35/92/10/330359210.db2.gz ZBWGIMRTPKEJAY-LBPRGKRZSA-N 1 2 267.760 2.441 20 30 CEEDLO N/C(=N/O)[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000083767354 330359211 /nfs/dbraw/zinc/35/92/11/330359211.db2.gz ZBWGIMRTPKEJAY-LBPRGKRZSA-N 1 2 267.760 2.441 20 30 CEEDLO C=CCOc1ccc(CC(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000448940350 330888926 /nfs/dbraw/zinc/88/89/26/330888926.db2.gz ZHCZEWNUUTULPH-UHFFFAOYSA-N 1 2 285.347 2.176 20 30 CEEDLO CS(=O)(=O)C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450677092 330992924 /nfs/dbraw/zinc/99/29/24/330992924.db2.gz GAJCBQBHAKZHAD-CQSZACIVSA-N 1 2 292.404 2.056 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccn(CC(F)(F)F)n1 ZINC000450835013 331001900 /nfs/dbraw/zinc/00/19/00/331001900.db2.gz FIAPYZUWJPMORX-UHFFFAOYSA-N 1 2 277.290 2.080 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccn(CC(F)(F)F)n1 ZINC000450835013 331001901 /nfs/dbraw/zinc/00/19/01/331001901.db2.gz FIAPYZUWJPMORX-UHFFFAOYSA-N 1 2 277.290 2.080 20 30 CEEDLO Cc1cc[nH+]cc1N1CCN(CC2(C#N)CCC2)CC1 ZINC000450897819 331005638 /nfs/dbraw/zinc/00/56/38/331005638.db2.gz BASCQBCEISKHAS-UHFFFAOYSA-N 1 2 270.380 2.206 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000452772150 331075715 /nfs/dbraw/zinc/07/57/15/331075715.db2.gz CZCCNFIYGSZOBH-OAHLLOKOSA-N 1 2 296.455 2.452 20 30 CEEDLO C=C(C)CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000454234743 331142367 /nfs/dbraw/zinc/14/23/67/331142367.db2.gz ZMCPGCRIKZEIQC-UHFFFAOYSA-N 1 2 288.395 2.447 20 30 CEEDLO C=C(CC)CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000454238501 331142628 /nfs/dbraw/zinc/14/26/28/331142628.db2.gz YLRCOOWCBYCIDP-UHFFFAOYSA-N 1 2 288.395 2.447 20 30 CEEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000454948256 331157378 /nfs/dbraw/zinc/15/73/78/331157378.db2.gz VOIASIXKFCUKSM-LBPRGKRZSA-N 1 2 262.357 2.137 20 30 CEEDLO C=C(CC)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000456813021 331205119 /nfs/dbraw/zinc/20/51/19/331205119.db2.gz OOQSERJIKCMFEN-UHFFFAOYSA-N 1 2 260.328 2.046 20 30 CEEDLO CC(C)(CC#N)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000457590479 331228148 /nfs/dbraw/zinc/22/81/48/331228148.db2.gz HFLGYLMRGDFYAT-UHFFFAOYSA-N 1 2 299.378 2.116 20 30 CEEDLO C=C(C)CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000459012138 331266448 /nfs/dbraw/zinc/26/64/48/331266448.db2.gz YBWYMFFVRBXARH-UONOGXRCSA-N 1 2 276.384 2.442 20 30 CEEDLO N#CCCN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000459466160 331283080 /nfs/dbraw/zinc/28/30/80/331283080.db2.gz OBXYMUJCTYXACS-GDBMZVCRSA-N 1 2 296.374 2.215 20 30 CEEDLO C=CCn1cccc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000488500318 332014060 /nfs/dbraw/zinc/01/40/60/332014060.db2.gz FPXZTJBNCYLRLI-UHFFFAOYSA-N 1 2 284.363 2.065 20 30 CEEDLO C=CCn1cccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000488879123 332031639 /nfs/dbraw/zinc/03/16/39/332031639.db2.gz JPEUUYFVJDNNFK-ZDUSSCGKSA-N 1 2 284.363 2.417 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(C2CC2)s1 ZINC000490614975 332095582 /nfs/dbraw/zinc/09/55/82/332095582.db2.gz CNPXSCCXSRXLDM-GFCCVEGCSA-N 1 2 290.388 2.275 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(C2CC2)s1 ZINC000490614975 332095583 /nfs/dbraw/zinc/09/55/83/332095583.db2.gz CNPXSCCXSRXLDM-GFCCVEGCSA-N 1 2 290.388 2.275 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1NC(C)=O ZINC000490916052 332128071 /nfs/dbraw/zinc/12/80/71/332128071.db2.gz RFYMHWZDGGEPQL-UHFFFAOYSA-N 1 2 254.333 2.104 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccccc1NC(C)=O ZINC000490916052 332128073 /nfs/dbraw/zinc/12/80/73/332128073.db2.gz RFYMHWZDGGEPQL-UHFFFAOYSA-N 1 2 254.333 2.104 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000491440944 332212197 /nfs/dbraw/zinc/21/21/97/332212197.db2.gz SBRRSWZPWNESLK-UHFFFAOYSA-N 1 2 299.201 2.217 20 30 CEEDLO C#CC[N@H+](C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000491440944 332212198 /nfs/dbraw/zinc/21/21/98/332212198.db2.gz SBRRSWZPWNESLK-UHFFFAOYSA-N 1 2 299.201 2.217 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cnc(C)nc1)c1ccc(F)cc1 ZINC000491474775 332218433 /nfs/dbraw/zinc/21/84/33/332218433.db2.gz PWLDSRAZAUCCIE-HNNXBMFYSA-N 1 2 255.296 2.388 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000491630833 332253490 /nfs/dbraw/zinc/25/34/90/332253490.db2.gz XQQVSDFTLXYOTE-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000491630833 332253491 /nfs/dbraw/zinc/25/34/91/332253491.db2.gz XQQVSDFTLXYOTE-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(C)C ZINC000491669735 332277305 /nfs/dbraw/zinc/27/73/05/332277305.db2.gz URHSCADONADKTE-UTUOFQBUSA-N 1 2 274.368 2.236 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000491673372 332279659 /nfs/dbraw/zinc/27/96/59/332279659.db2.gz VOAIYBRNSMJBJN-MRVPVSSYSA-N 1 2 275.377 2.467 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000491673372 332279661 /nfs/dbraw/zinc/27/96/61/332279661.db2.gz VOAIYBRNSMJBJN-MRVPVSSYSA-N 1 2 275.377 2.467 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(CC)cc1)C1CC1 ZINC000491678450 332282877 /nfs/dbraw/zinc/28/28/77/332282877.db2.gz BMBCIGLUCTWLTA-UHFFFAOYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccc(CC)cc1)C1CC1 ZINC000491678450 332282878 /nfs/dbraw/zinc/28/28/78/332282878.db2.gz BMBCIGLUCTWLTA-UHFFFAOYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000491681363 332284609 /nfs/dbraw/zinc/28/46/09/332284609.db2.gz MPPASBLLOASAPE-ZDUSSCGKSA-N 1 2 273.723 2.027 20 30 CEEDLO C#CC[N@@H+](Cc1ncnn1C(C)(C)C)C1CCCC1 ZINC000491704431 332297828 /nfs/dbraw/zinc/29/78/28/332297828.db2.gz ITMHYJFBMXIPDV-UHFFFAOYSA-N 1 2 260.385 2.411 20 30 CEEDLO C#CC[N@H+](Cc1ncnn1C(C)(C)C)C1CCCC1 ZINC000491704431 332297829 /nfs/dbraw/zinc/29/78/29/332297829.db2.gz ITMHYJFBMXIPDV-UHFFFAOYSA-N 1 2 260.385 2.411 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(C)c2)n1 ZINC000491723789 332308545 /nfs/dbraw/zinc/30/85/45/332308545.db2.gz CNKGIWDTFLUJIX-UHFFFAOYSA-N 1 2 297.402 2.473 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(C)c2)n1 ZINC000491723789 332308546 /nfs/dbraw/zinc/30/85/46/332308546.db2.gz CNKGIWDTFLUJIX-UHFFFAOYSA-N 1 2 297.402 2.473 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CC)nc2)n1 ZINC000491730487 332312421 /nfs/dbraw/zinc/31/24/21/332312421.db2.gz OYJUAJRWZVRARA-UHFFFAOYSA-N 1 2 282.391 2.496 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CC)nc2)n1 ZINC000491730487 332312423 /nfs/dbraw/zinc/31/24/23/332312423.db2.gz OYJUAJRWZVRARA-UHFFFAOYSA-N 1 2 282.391 2.496 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)c2ncccc2c1 ZINC000491794676 332354371 /nfs/dbraw/zinc/35/43/71/332354371.db2.gz RQEAMNIBDCIUCL-MRXNPFEDSA-N 1 2 266.344 2.377 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)c2ncccc2c1 ZINC000491794676 332354372 /nfs/dbraw/zinc/35/43/72/332354372.db2.gz RQEAMNIBDCIUCL-MRXNPFEDSA-N 1 2 266.344 2.377 20 30 CEEDLO C[C@@H]([NH2+]CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495272207 332513634 /nfs/dbraw/zinc/51/36/34/332513634.db2.gz YBDZBZUAOGFPBK-VXGBXAGGSA-N 1 2 267.373 2.135 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000516876034 333085128 /nfs/dbraw/zinc/08/51/28/333085128.db2.gz KYDRRGVTLGLBFA-AWEZNQCLSA-N 1 2 256.309 2.065 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000517378225 333098342 /nfs/dbraw/zinc/09/83/42/333098342.db2.gz ZFPROWMXFZCHDM-DOMZBBRYSA-N 1 2 265.401 2.163 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000521743596 333186399 /nfs/dbraw/zinc/18/63/99/333186399.db2.gz SYZLOWZRKSXYCR-ZDUSSCGKSA-N 1 2 276.384 2.016 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000192218855 333232364 /nfs/dbraw/zinc/23/23/64/333232364.db2.gz XJVJWTMFCYAICG-MRXNPFEDSA-N 1 2 258.365 2.065 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000192218855 333232365 /nfs/dbraw/zinc/23/23/65/333232365.db2.gz XJVJWTMFCYAICG-MRXNPFEDSA-N 1 2 258.365 2.065 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000192220651 333232660 /nfs/dbraw/zinc/23/26/60/333232660.db2.gz RDEQGJGRCKAWRN-JTQLQIEISA-N 1 2 287.388 2.000 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000192220651 333232662 /nfs/dbraw/zinc/23/26/62/333232662.db2.gz RDEQGJGRCKAWRN-JTQLQIEISA-N 1 2 287.388 2.000 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000192228757 333233277 /nfs/dbraw/zinc/23/32/77/333233277.db2.gz UEOQUIGLBNKWEY-LBPRGKRZSA-N 1 2 263.341 2.045 20 30 CEEDLO C#CC[N@H+](C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000192228757 333233278 /nfs/dbraw/zinc/23/32/78/333233278.db2.gz UEOQUIGLBNKWEY-LBPRGKRZSA-N 1 2 263.341 2.045 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cnc(-c2ccco2)s1 ZINC000194402841 333270701 /nfs/dbraw/zinc/27/07/01/333270701.db2.gz DJUZRNTZGRMOBI-UHFFFAOYSA-N 1 2 256.330 2.472 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2C[C@H]1C ZINC000576050959 335146161 /nfs/dbraw/zinc/14/61/61/335146161.db2.gz XJOYLMPXDQGRHS-TZMCWYRMSA-N 1 2 271.364 2.246 20 30 CEEDLO C[C@](O)(C1CC[NH+](CC2(C#N)CC2)CC1)C(F)(F)F ZINC000545226030 333970873 /nfs/dbraw/zinc/97/08/73/333970873.db2.gz HTKJTQPHQAALFY-NSHDSACASA-N 1 2 276.302 2.315 20 30 CEEDLO C=CCNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000132972444 334012060 /nfs/dbraw/zinc/01/20/60/334012060.db2.gz PTUAARBKTXOFHH-UHFFFAOYSA-N 1 2 259.353 2.374 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000134944094 334109160 /nfs/dbraw/zinc/10/91/60/334109160.db2.gz NXWUANNADTVWRY-OAHLLOKOSA-N 1 2 261.369 2.366 20 30 CEEDLO N#CCC[N@@H+](CC(=O)N1CCCCCC1)CC1CC1 ZINC000081045023 334177284 /nfs/dbraw/zinc/17/72/84/334177284.db2.gz QGKCAEGGEUYVCG-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO N#CCC[N@H+](CC(=O)N1CCCCCC1)CC1CC1 ZINC000081045023 334177285 /nfs/dbraw/zinc/17/72/85/334177285.db2.gz QGKCAEGGEUYVCG-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611793 334199528 /nfs/dbraw/zinc/19/95/28/334199528.db2.gz GPTIHNZWAHXJHB-XBFCOCLRSA-N 1 2 267.336 2.176 20 30 CEEDLO N#CC1CCC(C[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000550934004 334234226 /nfs/dbraw/zinc/23/42/26/334234226.db2.gz QNCMMGYKPSWFDI-SSDMNJCBSA-N 1 2 296.378 2.209 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1c(F)cncc1F ZINC000552024533 334278067 /nfs/dbraw/zinc/27/80/67/334278067.db2.gz MZBAEFSHVCXMEH-NXEZZACHSA-N 1 2 264.279 2.454 20 30 CEEDLO CCc1ccc([C@@H](C#N)NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000565316275 334552646 /nfs/dbraw/zinc/55/26/46/334552646.db2.gz ZYHWMCMKUSVFOL-OAHLLOKOSA-N 1 2 285.391 2.272 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc2ccc(F)cc12 ZINC000567995842 334782760 /nfs/dbraw/zinc/78/27/60/334782760.db2.gz WUKMGVXSTNGCRO-OAHLLOKOSA-N 1 2 289.310 2.146 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C[C@@H](C)C#N)C3CC3)ccn12 ZINC000568195576 334803369 /nfs/dbraw/zinc/80/33/69/334803369.db2.gz KWNLXHBHBRFHJE-NSHDSACASA-N 1 2 282.347 2.407 20 30 CEEDLO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000183838300 335909467 /nfs/dbraw/zinc/90/94/67/335909467.db2.gz QRELZGXRFAIFEI-LBPRGKRZSA-N 1 2 254.337 2.430 20 30 CEEDLO CCCOc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000581603654 336110589 /nfs/dbraw/zinc/11/05/89/336110589.db2.gz LSYLRIKOMXJKPX-OAHLLOKOSA-N 1 2 291.395 2.094 20 30 CEEDLO CCCOc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000581603654 336110590 /nfs/dbraw/zinc/11/05/90/336110590.db2.gz LSYLRIKOMXJKPX-OAHLLOKOSA-N 1 2 291.395 2.094 20 30 CEEDLO C[C@H]1CC[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330176174 533731333 /nfs/dbraw/zinc/73/13/33/533731333.db2.gz CBACMAAGFPTIGS-JHJVBQTASA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330176174 533731339 /nfs/dbraw/zinc/73/13/39/533731339.db2.gz CBACMAAGFPTIGS-JHJVBQTASA-N 1 2 276.384 2.280 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000296172823 517885706 /nfs/dbraw/zinc/88/57/06/517885706.db2.gz BMUAYWUIPGQFCI-GFCCVEGCSA-N 1 2 297.362 2.335 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000331684406 534750495 /nfs/dbraw/zinc/75/04/95/534750495.db2.gz VLZYKIXUQSRMKH-GDBMZVCRSA-N 1 2 283.375 2.396 20 30 CEEDLO N#CCCC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000069026418 526446413 /nfs/dbraw/zinc/44/64/13/526446413.db2.gz SWTLTKJKVUBMAO-UHFFFAOYSA-N 1 2 293.317 2.026 20 30 CEEDLO C=CCN1CC[C@@H]([NH2+]C2(C(F)F)CCCCC2)C1=O ZINC000352210729 526484240 /nfs/dbraw/zinc/48/42/40/526484240.db2.gz HVNWBIBGQBUNFO-LLVKDONJSA-N 1 2 272.339 2.331 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000294814615 526942046 /nfs/dbraw/zinc/94/20/46/526942046.db2.gz GFWNDLADUOTTBY-CQSZACIVSA-N 1 2 287.407 2.499 20 30 CEEDLO C=C[C@@H](C)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000354968352 527401907 /nfs/dbraw/zinc/40/19/07/527401907.db2.gz FRGBJVDDDTUISW-LLVKDONJSA-N 1 2 257.337 2.289 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000336092148 527605438 /nfs/dbraw/zinc/60/54/38/527605438.db2.gz RDDYDHJKRIFMOZ-ZDUSSCGKSA-N 1 2 299.374 2.012 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000336092148 527605440 /nfs/dbraw/zinc/60/54/40/527605440.db2.gz RDDYDHJKRIFMOZ-ZDUSSCGKSA-N 1 2 299.374 2.012 20 30 CEEDLO CC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000329135661 527902283 /nfs/dbraw/zinc/90/22/83/527902283.db2.gz QQCMDXFTDRUZDH-LBPRGKRZSA-N 1 2 277.368 2.219 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@@H](C)C#N)C2 ZINC000355037320 528321393 /nfs/dbraw/zinc/32/13/93/528321393.db2.gz MAUYTLPNXCWLHB-RYUDHWBXSA-N 1 2 288.395 2.256 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@@H](C)C#N)CC2 ZINC000355037320 528321399 /nfs/dbraw/zinc/32/13/99/528321399.db2.gz MAUYTLPNXCWLHB-RYUDHWBXSA-N 1 2 288.395 2.256 20 30 CEEDLO CC(C)n1cc(C#N)c(NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000177400729 528548305 /nfs/dbraw/zinc/54/83/05/528548305.db2.gz LUKHAPDSQVZIFU-UHFFFAOYSA-N 1 2 294.318 2.236 20 30 CEEDLO C#Cc1cccc(NC(=S)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000726466118 574426794 /nfs/dbraw/zinc/42/67/94/574426794.db2.gz SSFHHJPRIGARLE-GFCCVEGCSA-N 1 2 284.388 2.240 20 30 CEEDLO COc1cccc(O)c1/C=[NH+]\CC1CCN(C(C)=O)CC1 ZINC000729641826 574490111 /nfs/dbraw/zinc/49/01/11/574490111.db2.gz YWIDEPOENMNYMF-BOPFTXTBSA-N 1 2 290.363 2.078 20 30 CEEDLO CCc1nc(CO[NH+]=C(N)c2ccc(Cl)cc2)no1 ZINC000731445611 574596215 /nfs/dbraw/zinc/59/62/15/574596215.db2.gz NHGPEMJDKBCZEE-UHFFFAOYSA-N 1 2 280.715 2.123 20 30 CEEDLO COc1cccc(/C=[NH+]/CCC(=O)OC(C)C)c1O ZINC000732769813 574629771 /nfs/dbraw/zinc/62/97/71/574629771.db2.gz OFPCIZDQCRXISP-OQLLNIDSSA-N 1 2 265.309 2.161 20 30 CEEDLO Cc1[nH]c[nH+]c1C=NNC(=S)N[C@H]1CCCC[C@@H]1C ZINC000755520194 574700224 /nfs/dbraw/zinc/70/02/24/574700224.db2.gz TXHJHIZZBBBTGQ-ONGXEEELSA-N 1 2 279.413 2.095 20 30 CEEDLO COc1c(C)c[nH+]c(COC(=O)c2ccc(C#N)nc2)c1C ZINC000736829339 574798057 /nfs/dbraw/zinc/79/80/57/574798057.db2.gz QGTHLHUFSZVURZ-UHFFFAOYSA-N 1 2 297.314 2.331 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000736945231 574800047 /nfs/dbraw/zinc/80/00/47/574800047.db2.gz FSSHLNGPPKUOIO-HTQZYQBOSA-N 1 2 288.107 2.283 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000736945231 574800048 /nfs/dbraw/zinc/80/00/48/574800048.db2.gz FSSHLNGPPKUOIO-HTQZYQBOSA-N 1 2 288.107 2.283 20 30 CEEDLO C=C(Cl)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741387154 574984122 /nfs/dbraw/zinc/98/41/22/574984122.db2.gz OKVZYYBLCSFMNK-AWEZNQCLSA-N 1 2 295.766 2.183 20 30 CEEDLO C=C(Cl)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741387154 574984124 /nfs/dbraw/zinc/98/41/24/574984124.db2.gz OKVZYYBLCSFMNK-AWEZNQCLSA-N 1 2 295.766 2.183 20 30 CEEDLO C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000741463960 574987909 /nfs/dbraw/zinc/98/79/09/574987909.db2.gz JSHVJYWIKQKJMS-ITZWDYGHSA-N 1 2 277.324 2.202 20 30 CEEDLO C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000741463960 574987910 /nfs/dbraw/zinc/98/79/10/574987910.db2.gz JSHVJYWIKQKJMS-ITZWDYGHSA-N 1 2 277.324 2.202 20 30 CEEDLO N#CCOc1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000741969649 575004374 /nfs/dbraw/zinc/00/43/74/575004374.db2.gz GXLBASLPQJTIFR-UHFFFAOYSA-N 1 2 292.298 2.489 20 30 CEEDLO C=C(Cl)C[S@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000742440027 575022108 /nfs/dbraw/zinc/02/21/08/575022108.db2.gz MSVHSACNSBZVSQ-KRWDZBQOSA-N 1 2 286.706 2.447 20 30 CEEDLO C#CCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000742787250 575033217 /nfs/dbraw/zinc/03/32/17/575033217.db2.gz OZRVNEZWVLAASY-UHFFFAOYSA-N 1 2 267.332 2.075 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000746487746 575157360 /nfs/dbraw/zinc/15/73/60/575157360.db2.gz UDBVYUQGTQPPJU-INIZCTEOSA-N 1 2 289.350 2.405 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000746487746 575157362 /nfs/dbraw/zinc/15/73/62/575157362.db2.gz UDBVYUQGTQPPJU-INIZCTEOSA-N 1 2 289.350 2.405 20 30 CEEDLO C(=[NH+]OCc1cccnc1)c1cnc(N2CCCC2)nc1 ZINC000746577472 575159727 /nfs/dbraw/zinc/15/97/27/575159727.db2.gz RROQFALIQGWUBX-UHFFFAOYSA-N 1 2 283.335 2.023 20 30 CEEDLO COc1ccc(CNc2cc(C)[nH+]cn2)cc1C#N ZINC000746712130 575163515 /nfs/dbraw/zinc/16/35/15/575163515.db2.gz ZVJFYRISCHUVHB-UHFFFAOYSA-N 1 2 254.293 2.277 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000747326351 575169477 /nfs/dbraw/zinc/16/94/77/575169477.db2.gz KEUVUTGOPAFCIN-NSHDSACASA-N 1 2 287.323 2.384 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000747326351 575169478 /nfs/dbraw/zinc/16/94/78/575169478.db2.gz KEUVUTGOPAFCIN-NSHDSACASA-N 1 2 287.323 2.384 20 30 CEEDLO CN1CCCc2cc(C=[NH+]Nc3cnccn3)ccc21 ZINC000748034909 575177652 /nfs/dbraw/zinc/17/76/52/575177652.db2.gz WGKYDJNSZKGXCL-UHFFFAOYSA-N 1 2 267.336 2.305 20 30 CEEDLO CCCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787302 575234461 /nfs/dbraw/zinc/23/44/61/575234461.db2.gz JRAQDNWHVYITMP-LLVKDONJSA-N 1 2 295.358 2.158 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2c(C)cc(N)cc2C)nn1 ZINC000752730670 575313831 /nfs/dbraw/zinc/31/38/31/575313831.db2.gz POHLVUKZTWDEPO-UHFFFAOYSA-N 1 2 255.325 2.430 20 30 CEEDLO Cn1c[nH+]cc1CON=CC(=O)Nc1ccccc1Cl ZINC000753118647 575320116 /nfs/dbraw/zinc/32/01/16/575320116.db2.gz SLOVUTSSNIOFTR-UHFFFAOYSA-N 1 2 292.726 2.215 20 30 CEEDLO C[C@@]1(C#N)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000753156178 575320887 /nfs/dbraw/zinc/32/08/87/575320887.db2.gz RRUQDACFLWRKQC-INIZCTEOSA-N 1 2 295.346 2.033 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824249571 607509996 /nfs/dbraw/zinc/50/99/96/607509996.db2.gz PJYQBWRXHMSVSO-UHFFFAOYSA-N 1 2 299.382 2.023 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824249571 607509997 /nfs/dbraw/zinc/50/99/97/607509997.db2.gz PJYQBWRXHMSVSO-UHFFFAOYSA-N 1 2 299.382 2.023 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccnc2C2CC2)C1 ZINC000950760522 612992348 /nfs/dbraw/zinc/99/23/48/612992348.db2.gz WJRXGHVQVRCXGO-UHFFFAOYSA-N 1 2 297.402 2.129 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC000957445216 613294490 /nfs/dbraw/zinc/29/44/90/613294490.db2.gz JCDXJNSHKUWBOZ-HZPDHXFCSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC000957980688 613317877 /nfs/dbraw/zinc/31/78/77/613317877.db2.gz PLEZIDVEZGCZJX-INIZCTEOSA-N 1 2 294.439 2.302 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC000948540243 613319971 /nfs/dbraw/zinc/31/99/71/613319971.db2.gz NBBRIVQRSKRSPL-UHFFFAOYSA-N 1 2 273.380 2.032 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC000970185789 613371479 /nfs/dbraw/zinc/37/14/79/613371479.db2.gz WAHFXYNLAYZJEK-UXIGCNINSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CCCC2)C1 ZINC000969192386 613371921 /nfs/dbraw/zinc/37/19/21/613371921.db2.gz KIFWGUYYTOSCOC-NSHDSACASA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2C=CC=CC=C2)C1 ZINC000969763550 613371970 /nfs/dbraw/zinc/37/19/70/613371970.db2.gz MRPHRQMUVKVBQR-ZDUSSCGKSA-N 1 2 292.810 2.474 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccoc2)C1 ZINC000969302679 613372354 /nfs/dbraw/zinc/37/23/54/613372354.db2.gz WUOKWYUNUSDUHT-JTQLQIEISA-N 1 2 268.744 2.082 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnccc2C)C1 ZINC000969433760 613372642 /nfs/dbraw/zinc/37/26/42/613372642.db2.gz RZEKWAAPOKEUOI-LBPRGKRZSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC2)C1 ZINC000964627760 613375426 /nfs/dbraw/zinc/37/54/26/613375426.db2.gz GZOVEABRQPYSPU-MFKMUULPSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC2)C1 ZINC000964627760 613375427 /nfs/dbraw/zinc/37/54/27/613375427.db2.gz GZOVEABRQPYSPU-MFKMUULPSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000965127045 613375701 /nfs/dbraw/zinc/37/57/01/613375701.db2.gz FGHGFHNIFKBLIK-ZWNOBZJWSA-N 1 2 282.771 2.472 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000965127045 613375702 /nfs/dbraw/zinc/37/57/02/613375702.db2.gz FGHGFHNIFKBLIK-ZWNOBZJWSA-N 1 2 282.771 2.472 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC2)C1 ZINC000964627761 613375851 /nfs/dbraw/zinc/37/58/51/613375851.db2.gz GZOVEABRQPYSPU-ZWNOBZJWSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC2)C1 ZINC000964627761 613375852 /nfs/dbraw/zinc/37/58/52/613375852.db2.gz GZOVEABRQPYSPU-ZWNOBZJWSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccco2)C1 ZINC000968456180 613375865 /nfs/dbraw/zinc/37/58/65/613375865.db2.gz XCLOTBSWTBLNLX-BXUZGUMPSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccco2)C1 ZINC000968456180 613375866 /nfs/dbraw/zinc/37/58/66/613375866.db2.gz XCLOTBSWTBLNLX-BXUZGUMPSA-N 1 2 296.798 2.401 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000957094535 613654235 /nfs/dbraw/zinc/65/42/35/613654235.db2.gz HVXKXVGRHYJKJY-ZBFHGGJFSA-N 1 2 294.439 2.156 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc[nH]c2CCC)C1 ZINC000951214240 613657487 /nfs/dbraw/zinc/65/74/87/613657487.db2.gz GLNJIABAODDEHA-UHFFFAOYSA-N 1 2 275.396 2.300 20 30 CEEDLO C=CC[N@H+]1CCCN(C(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC000981542691 613699735 /nfs/dbraw/zinc/69/97/35/613699735.db2.gz VHCPRAWLOYQHEG-UHFFFAOYSA-N 1 2 298.390 2.205 20 30 CEEDLO C=CC[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc(C)cc32)CC1 ZINC000981542691 613699736 /nfs/dbraw/zinc/69/97/36/613699736.db2.gz VHCPRAWLOYQHEG-UHFFFAOYSA-N 1 2 298.390 2.205 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 ZINC000957607743 613709504 /nfs/dbraw/zinc/70/95/04/613709504.db2.gz OTSUYBUBFSLJPZ-UHFFFAOYSA-N 1 2 298.430 2.438 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC000957690474 613714554 /nfs/dbraw/zinc/71/45/54/613714554.db2.gz XOKDQQRTLGAGBZ-UHFFFAOYSA-N 1 2 276.355 2.386 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000949590228 613714969 /nfs/dbraw/zinc/71/49/69/613714969.db2.gz NLPSVCXCSLKGPW-UHFFFAOYSA-N 1 2 283.375 2.420 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(F)ccc2CC)CC1 ZINC000949094350 613715283 /nfs/dbraw/zinc/71/52/83/613715283.db2.gz ZJVRBWYRVDGJNE-UHFFFAOYSA-N 1 2 276.355 2.332 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000949146350 613715624 /nfs/dbraw/zinc/71/56/24/613715624.db2.gz FTWHBFGRFDAXQM-UHFFFAOYSA-N 1 2 295.386 2.421 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2coc3ccccc23)CC1 ZINC000957905992 613718538 /nfs/dbraw/zinc/71/85/38/613718538.db2.gz JLUHQWPRGQYTSS-UHFFFAOYSA-N 1 2 270.332 2.377 20 30 CEEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnco1 ZINC000948946268 613805640 /nfs/dbraw/zinc/80/56/40/613805640.db2.gz JBFZBXLSFXHSAE-OAHLLOKOSA-N 1 2 297.358 2.190 20 30 CEEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnco1 ZINC000948946268 613805641 /nfs/dbraw/zinc/80/56/41/613805641.db2.gz JBFZBXLSFXHSAE-OAHLLOKOSA-N 1 2 297.358 2.190 20 30 CEEDLO C=CC(C)(C)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000891266376 623342539 /nfs/dbraw/zinc/34/25/39/623342539.db2.gz AATIEJBOOGOLML-SECBINFHSA-N 1 2 275.274 2.457 20 30 CEEDLO C[C@@H](CNC(=O)/C=C\c1ccccc1C#N)Cn1cc[nH+]c1 ZINC000255376965 623836071 /nfs/dbraw/zinc/83/60/71/623836071.db2.gz HFPLHVWMIDZGQD-AFNCTOJWSA-N 1 2 294.358 2.220 20 30 CEEDLO C[C@H](CNC(=O)/C=C\c1ccccc1C#N)Cn1cc[nH+]c1 ZINC000255376966 623836380 /nfs/dbraw/zinc/83/63/80/623836380.db2.gz HFPLHVWMIDZGQD-LMVHVUTASA-N 1 2 294.358 2.220 20 30 CEEDLO CN(C)c1cc(N(C)Cc2cccc(C#N)c2)nc[nH+]1 ZINC000891744688 623938923 /nfs/dbraw/zinc/93/89/23/623938923.db2.gz YMICTHLTJHHJHD-UHFFFAOYSA-N 1 2 267.336 2.051 20 30 CEEDLO CN(C)c1cc(N(C)Cc2cccc(C#N)c2)[nH+]cn1 ZINC000891744688 623938925 /nfs/dbraw/zinc/93/89/25/623938925.db2.gz YMICTHLTJHHJHD-UHFFFAOYSA-N 1 2 267.336 2.051 20 30 CEEDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776079 624003733 /nfs/dbraw/zinc/00/37/33/624003733.db2.gz SWBBDOAAZUAQTD-QWRGUYRKSA-N 1 2 279.409 2.355 20 30 CEEDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776079 624003739 /nfs/dbraw/zinc/00/37/39/624003739.db2.gz SWBBDOAAZUAQTD-QWRGUYRKSA-N 1 2 279.409 2.355 20 30 CEEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2cccnc2)c(F)c1 ZINC000092915171 624108483 /nfs/dbraw/zinc/10/84/83/624108483.db2.gz SVOJQSMNPLRUPL-UHFFFAOYSA-N 1 2 284.294 2.124 20 30 CEEDLO C=C1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891943120 624125895 /nfs/dbraw/zinc/12/58/95/624125895.db2.gz ODCULNBTZMOLLU-UHFFFAOYSA-N 1 2 278.308 2.461 20 30 CEEDLO Cc1nc([C@H]2CCC[N@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000892230076 624440221 /nfs/dbraw/zinc/44/02/21/624440221.db2.gz YFSFCWPWOCNGBR-LBPRGKRZSA-N 1 2 287.392 2.426 20 30 CEEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000892230076 624440223 /nfs/dbraw/zinc/44/02/23/624440223.db2.gz YFSFCWPWOCNGBR-LBPRGKRZSA-N 1 2 287.392 2.426 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000934462922 624510344 /nfs/dbraw/zinc/51/03/44/624510344.db2.gz DXAPXTCEEBGXLD-CYBMUJFWSA-N 1 2 283.368 2.250 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000934462922 624510345 /nfs/dbraw/zinc/51/03/45/624510345.db2.gz DXAPXTCEEBGXLD-CYBMUJFWSA-N 1 2 283.368 2.250 20 30 CEEDLO C=C(C)CNC(=S)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052525738 624976806 /nfs/dbraw/zinc/97/68/06/624976806.db2.gz OTEKWLADQYUOLI-UHFFFAOYSA-N 1 2 295.477 2.316 20 30 CEEDLO CNc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc[nH+]1 ZINC000893558010 628742500 /nfs/dbraw/zinc/74/25/00/628742500.db2.gz LXLFDDXTSLVJGG-CYBMUJFWSA-N 1 2 265.320 2.489 20 30 CEEDLO CNc1cc(N[C@@H]2CCc3cc(C#N)ccc32)[nH+]cn1 ZINC000893558010 628742502 /nfs/dbraw/zinc/74/25/02/628742502.db2.gz LXLFDDXTSLVJGG-CYBMUJFWSA-N 1 2 265.320 2.489 20 30 CEEDLO C[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980657293 628796664 /nfs/dbraw/zinc/79/66/64/628796664.db2.gz QLTAWPUMTJGCDK-PBHICJAKSA-N 1 2 297.402 2.249 20 30 CEEDLO C[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980657293 628796666 /nfs/dbraw/zinc/79/66/66/628796666.db2.gz QLTAWPUMTJGCDK-PBHICJAKSA-N 1 2 297.402 2.249 20 30 CEEDLO CC[C@H]([NH2+]Cc1cocn1)c1cccc(C#N)c1O ZINC000925870087 628969574 /nfs/dbraw/zinc/96/95/74/628969574.db2.gz UFFRBZIKAKRWDF-ZDUSSCGKSA-N 1 2 257.293 2.493 20 30 CEEDLO C#Cc1cccc(CNc2cc(N[C@@H](CC)CO)nc[nH+]2)c1 ZINC000894117278 629140546 /nfs/dbraw/zinc/14/05/46/629140546.db2.gz CMOAEYQTDAWNGE-HNNXBMFYSA-N 1 2 296.374 2.253 20 30 CEEDLO C#Cc1cccc(CNc2cc(N[C@@H](CC)CO)[nH+]cn2)c1 ZINC000894117278 629140550 /nfs/dbraw/zinc/14/05/50/629140550.db2.gz CMOAEYQTDAWNGE-HNNXBMFYSA-N 1 2 296.374 2.253 20 30 CEEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCOC1 ZINC000877515762 629176955 /nfs/dbraw/zinc/17/69/55/629176955.db2.gz OLINBLJFYCOADP-LBPRGKRZSA-N 1 2 265.744 2.217 20 30 CEEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CCCOC1 ZINC000877515762 629176956 /nfs/dbraw/zinc/17/69/56/629176956.db2.gz OLINBLJFYCOADP-LBPRGKRZSA-N 1 2 265.744 2.217 20 30 CEEDLO COC(=O)c1ccc(Cl)c(C=NNc2[nH+]ccn2C)c1 ZINC000794859243 629339852 /nfs/dbraw/zinc/33/98/52/629339852.db2.gz NZUPPOHOGWVCTM-UHFFFAOYSA-N 1 2 292.726 2.306 20 30 CEEDLO C#CC[NH+]1CCN(c2nc3cccc(C)c3s2)CC1 ZINC000795065853 629426886 /nfs/dbraw/zinc/42/68/86/629426886.db2.gz DYXPPYHEYDFDTO-UHFFFAOYSA-N 1 2 271.389 2.360 20 30 CEEDLO C=CC[C@@H]1CCCN(c2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000894523304 629511049 /nfs/dbraw/zinc/51/10/49/629511049.db2.gz VGXCGPQXBVQHSW-ZIAGYGMSSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC[C@@H]1CCCN(c2cc(N[C@H](CC)CO)nc[nH+]2)C1 ZINC000894523304 629511052 /nfs/dbraw/zinc/51/10/52/629511052.db2.gz VGXCGPQXBVQHSW-ZIAGYGMSSA-N 1 2 290.411 2.452 20 30 CEEDLO CC(C)(C)c1nnc(C[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000894855061 629691476 /nfs/dbraw/zinc/69/14/76/629691476.db2.gz PCDRCYCKOMERLZ-UHFFFAOYSA-N 1 2 268.364 2.244 20 30 CEEDLO C#CC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000894983352 629784223 /nfs/dbraw/zinc/78/42/23/629784223.db2.gz BHBBTXXLWNENKG-ZIAGYGMSSA-N 1 2 279.380 2.023 20 30 CEEDLO Cc1cn(C)nc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000902699524 634779620 /nfs/dbraw/zinc/77/96/20/634779620.db2.gz NWXTWPYSLVWJOS-UHFFFAOYSA-N 1 2 276.315 2.013 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C(=O)OCC ZINC000895591790 630268254 /nfs/dbraw/zinc/26/82/54/630268254.db2.gz GPEWIKGYJWXPKA-IHRRRGAJSA-N 1 2 269.385 2.432 20 30 CEEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(O)c1OC ZINC000896501057 630582545 /nfs/dbraw/zinc/58/25/45/630582545.db2.gz MPBYXRUFSOLNIP-NSHDSACASA-N 1 2 276.336 2.145 20 30 CEEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(O)c1OC ZINC000896501057 630582547 /nfs/dbraw/zinc/58/25/47/630582547.db2.gz MPBYXRUFSOLNIP-NSHDSACASA-N 1 2 276.336 2.145 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1nccc(C)c1C#N)C2 ZINC000896660030 630623527 /nfs/dbraw/zinc/62/35/27/630623527.db2.gz IMQMUBOEQRFFIA-UHFFFAOYSA-N 1 2 267.336 2.041 20 30 CEEDLO COc1ccc2c(c1)[nH+]ccc2N1CCO[C@@](C)(C#N)C1 ZINC000896857757 630694014 /nfs/dbraw/zinc/69/40/14/630694014.db2.gz RLURWWDSKOKEEC-INIZCTEOSA-N 1 2 283.331 2.362 20 30 CEEDLO COc1ccc2c(c1)[nH+]ccc2N1CCO[C@](C)(C#N)C1 ZINC000896857759 630694016 /nfs/dbraw/zinc/69/40/16/630694016.db2.gz RLURWWDSKOKEEC-MRXNPFEDSA-N 1 2 283.331 2.362 20 30 CEEDLO O=C1C=COC2(CCN(c3cc[nH+]cc3F)CC2)C1 ZINC000896882181 630699776 /nfs/dbraw/zinc/69/97/76/630699776.db2.gz MPTRWOYGPDXYSY-UHFFFAOYSA-N 1 2 262.284 2.063 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccccc2[N+](=O)[O-])[C@H]2CCCCN12 ZINC000799464782 631028900 /nfs/dbraw/zinc/02/89/00/631028900.db2.gz LWKQTRGSEINQAE-GFCCVEGCSA-N 1 2 288.307 2.148 20 30 CEEDLO CCCCCCCS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000799762886 631075344 /nfs/dbraw/zinc/07/53/44/631075344.db2.gz QFVSAKSKOZKGTR-ZDUSSCGKSA-N 1 2 287.429 2.161 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000305045690 631106440 /nfs/dbraw/zinc/10/64/40/631106440.db2.gz LBEVPNNNGOEWQZ-TVQRCGJNSA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000305045690 631106443 /nfs/dbraw/zinc/10/64/43/631106443.db2.gz LBEVPNNNGOEWQZ-TVQRCGJNSA-N 1 2 254.280 2.232 20 30 CEEDLO C#C[C@@H]1CCCCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000897360515 631186262 /nfs/dbraw/zinc/18/62/62/631186262.db2.gz IPGRFKCHLABYLI-CQSZACIVSA-N 1 2 270.380 2.459 20 30 CEEDLO C[C@@H](C#N)OCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000801911943 631350947 /nfs/dbraw/zinc/35/09/47/631350947.db2.gz FDUSNPFITRLVTE-AFCDSYGPSA-N 1 2 299.418 2.246 20 30 CEEDLO C[C@H](C#N)OCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000801911948 631351415 /nfs/dbraw/zinc/35/14/15/631351415.db2.gz FDUSNPFITRLVTE-ZGRWHYIRSA-N 1 2 299.418 2.246 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000801927177 631357467 /nfs/dbraw/zinc/35/74/67/631357467.db2.gz JJXXLXIRYDNKOG-DYEKYZERSA-N 1 2 280.393 2.439 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000801927177 631357472 /nfs/dbraw/zinc/35/74/72/631357472.db2.gz JJXXLXIRYDNKOG-DYEKYZERSA-N 1 2 280.393 2.439 20 30 CEEDLO C=CCN1CCN(C[N@H+](C)CCc2ccccc2F)C1=O ZINC000839994796 631519674 /nfs/dbraw/zinc/51/96/74/631519674.db2.gz XXJBKCIOQRGNRM-UHFFFAOYSA-N 1 2 291.370 2.181 20 30 CEEDLO C=CCN1CCN(C[N@@H+](C)CCc2ccccc2F)C1=O ZINC000839994796 631519680 /nfs/dbraw/zinc/51/96/80/631519680.db2.gz XXJBKCIOQRGNRM-UHFFFAOYSA-N 1 2 291.370 2.181 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001007046797 631710122 /nfs/dbraw/zinc/71/01/22/631710122.db2.gz PMGWDHHLPQDZDN-MQYQWHSLSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001007046797 631710125 /nfs/dbraw/zinc/71/01/25/631710125.db2.gz PMGWDHHLPQDZDN-MQYQWHSLSA-N 1 2 282.815 2.366 20 30 CEEDLO C#C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC000897774041 631902464 /nfs/dbraw/zinc/90/24/64/631902464.db2.gz AIAACGHVHPSTCJ-LBPRGKRZSA-N 1 2 261.369 2.091 20 30 CEEDLO C=C1CCC(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000897875907 631956006 /nfs/dbraw/zinc/95/60/06/631956006.db2.gz KEVUAXLAMWFDPP-INIZCTEOSA-N 1 2 292.423 2.056 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000840167857 632077252 /nfs/dbraw/zinc/07/72/52/632077252.db2.gz GTLNZYKVTITICX-INIZCTEOSA-N 1 2 271.360 2.105 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000840167857 632077256 /nfs/dbraw/zinc/07/72/56/632077256.db2.gz GTLNZYKVTITICX-INIZCTEOSA-N 1 2 271.360 2.105 20 30 CEEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)N(CC)CC)CC2)cc1 ZINC000809546865 632096743 /nfs/dbraw/zinc/09/67/43/632096743.db2.gz ZQUQNHPCLVUUAI-UHFFFAOYSA-N 1 2 299.418 2.247 20 30 CEEDLO C#Cc1ccc(C[N@@H+](CC(=O)OCC)C2CC2)cc1 ZINC000809549425 632097517 /nfs/dbraw/zinc/09/75/17/632097517.db2.gz WTWOLNHUJJUFCO-UHFFFAOYSA-N 1 2 257.333 2.195 20 30 CEEDLO C#Cc1ccc(C[N@H+](CC(=O)OCC)C2CC2)cc1 ZINC000809549425 632097522 /nfs/dbraw/zinc/09/75/22/632097522.db2.gz WTWOLNHUJJUFCO-UHFFFAOYSA-N 1 2 257.333 2.195 20 30 CEEDLO Cc1ncsc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000809993529 632165834 /nfs/dbraw/zinc/16/58/34/632165834.db2.gz LUJYIINFKPBHFX-UHFFFAOYSA-N 1 2 265.313 2.428 20 30 CEEDLO CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C#N)c1O ZINC000924746046 632664812 /nfs/dbraw/zinc/66/48/12/632664812.db2.gz XTPWGPWMXPAJTG-DZGCQCFKSA-N 1 2 273.380 2.399 20 30 CEEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccnn1C1CCC1 ZINC000899400651 632827115 /nfs/dbraw/zinc/82/71/15/632827115.db2.gz MNXORLMXABRUJG-AATRIKPKSA-N 1 2 256.309 2.238 20 30 CEEDLO C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000814669065 632876336 /nfs/dbraw/zinc/87/63/36/632876336.db2.gz KKJFPEADSUPOQP-ZDUSSCGKSA-N 1 2 268.307 2.480 20 30 CEEDLO C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000814669065 632876346 /nfs/dbraw/zinc/87/63/46/632876346.db2.gz KKJFPEADSUPOQP-ZDUSSCGKSA-N 1 2 268.307 2.480 20 30 CEEDLO CC(=[NH+]Nc1cnnc2ccccc21)c1ccc(N)nc1 ZINC000814849313 632907854 /nfs/dbraw/zinc/90/78/54/632907854.db2.gz PVHMKDKIDOCXJY-UHFFFAOYSA-N 1 2 278.319 2.443 20 30 CEEDLO C[C@H](O)CN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000814964922 632943755 /nfs/dbraw/zinc/94/37/55/632943755.db2.gz FTWWVDHHDFVMEF-QMMMGPOBSA-N 1 2 290.194 2.364 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(C(F)F)cc1 ZINC000899895393 633079679 /nfs/dbraw/zinc/07/96/79/633079679.db2.gz UEZLWMZTIMASJS-CYBMUJFWSA-N 1 2 283.322 2.242 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(C(F)F)cc1 ZINC000899895393 633079704 /nfs/dbraw/zinc/07/97/04/633079704.db2.gz UEZLWMZTIMASJS-CYBMUJFWSA-N 1 2 283.322 2.242 20 30 CEEDLO C[C@@H](CC#N)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900433777 633721297 /nfs/dbraw/zinc/72/12/97/633721297.db2.gz PSAASDOBIUGQAV-ZDUSSCGKSA-N 1 2 297.362 2.027 20 30 CEEDLO CCn1nc(C)c(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000818347208 633914291 /nfs/dbraw/zinc/91/42/91/633914291.db2.gz YLEMOTNHYDBXCK-HNNXBMFYSA-N 1 2 281.363 2.255 20 30 CEEDLO FC1(F)CC[C@H](C=[NH+]n2nnc3c2CCCC3)C1 ZINC000901329576 634046953 /nfs/dbraw/zinc/04/69/53/634046953.db2.gz XNFUNNDJLYYHGT-VIFPVBQESA-N 1 2 254.284 2.426 20 30 CEEDLO CCCn1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)nn1 ZINC000901582006 634200960 /nfs/dbraw/zinc/20/09/60/634200960.db2.gz OQWKEKCXUBUMPA-WAYWQWQTSA-N 1 2 273.340 2.362 20 30 CEEDLO C[C@@H]1CC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)=NO1 ZINC000819916467 634280154 /nfs/dbraw/zinc/28/01/54/634280154.db2.gz XIPQBFLUGPDOQR-DGCLKSJQSA-N 1 2 298.346 2.170 20 30 CEEDLO C#C[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819931439 634289333 /nfs/dbraw/zinc/28/93/33/634289333.db2.gz NVQVBYNTBYDAGX-OCCSQVGLSA-N 1 2 267.332 2.070 20 30 CEEDLO CCCn1cc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)nn1 ZINC000902881414 634877283 /nfs/dbraw/zinc/87/72/83/634877283.db2.gz ITBDBDRQUAGLSQ-GFCCVEGCSA-N 1 2 299.378 2.419 20 30 CEEDLO CC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cccc(C#N)c1 ZINC000902957724 634912945 /nfs/dbraw/zinc/91/29/45/634912945.db2.gz UNYBVVTUGSAQFA-HNNXBMFYSA-N 1 2 296.378 2.196 20 30 CEEDLO CC[C@H]([NH2+]Cc1nonc1C)c1cccc(C#N)c1 ZINC000903088769 634963203 /nfs/dbraw/zinc/96/32/03/634963203.db2.gz SOHHBOFFNVQDOH-ZDUSSCGKSA-N 1 2 256.309 2.491 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726708 634981840 /nfs/dbraw/zinc/98/18/40/634981840.db2.gz UGJCBEATLCEHEK-CQSZACIVSA-N 1 2 299.378 2.236 20 30 CEEDLO CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C#N)c1O ZINC000903287526 635051479 /nfs/dbraw/zinc/05/14/79/635051479.db2.gz SQTBKICXZZNVIL-FAYXSQRVSA-N 1 2 284.359 2.480 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000823072760 635060746 /nfs/dbraw/zinc/06/07/46/635060746.db2.gz HFCWNHITTYTFLZ-MGPQQGTHSA-N 1 2 283.306 2.143 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000823072760 635060751 /nfs/dbraw/zinc/06/07/51/635060751.db2.gz HFCWNHITTYTFLZ-MGPQQGTHSA-N 1 2 283.306 2.143 20 30 CEEDLO CC[C@H]([NH2+]Cc1cn(C)cn1)c1cccc(C#N)c1O ZINC000903352413 635081164 /nfs/dbraw/zinc/08/11/64/635081164.db2.gz UJZBAQDCRCSJQJ-AWEZNQCLSA-N 1 2 270.336 2.238 20 30 CEEDLO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc(C#N)c1O ZINC000903440171 635119899 /nfs/dbraw/zinc/11/98/99/635119899.db2.gz LCGZKKROYDCRFL-VQISRLSMSA-N 1 2 272.348 2.339 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccnc(Cl)c1F)[C@H]1CCCO1 ZINC000824196567 635374828 /nfs/dbraw/zinc/37/48/28/635374828.db2.gz ULSMCQNKAXMKQV-GHMZBOCLSA-N 1 2 268.719 2.145 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824555266 635450618 /nfs/dbraw/zinc/45/06/18/635450618.db2.gz ROLCMTOISVNPHC-JTQLQIEISA-N 1 2 254.280 2.375 20 30 CEEDLO CCCCCCN(O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000904206723 635497163 /nfs/dbraw/zinc/49/71/63/635497163.db2.gz FMSTVYOFHGGTPL-VXGBXAGGSA-N 1 2 265.357 2.322 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904265913 635537352 /nfs/dbraw/zinc/53/73/52/635537352.db2.gz UXUKMZRVZHJWPK-GWCFXTLKSA-N 1 2 286.335 2.471 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2oc(SC)cc2C)CC1 ZINC000825077899 635559915 /nfs/dbraw/zinc/55/99/15/635559915.db2.gz LSGUUCCUAPCOGN-UHFFFAOYSA-N 1 2 292.404 2.091 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC000825078161 635560277 /nfs/dbraw/zinc/56/02/77/635560277.db2.gz WJVIOYGYRMKWLE-OAHLLOKOSA-N 1 2 268.376 2.072 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000825246921 635599533 /nfs/dbraw/zinc/59/95/33/635599533.db2.gz LEPGWHZJTZGYGN-UHFFFAOYSA-N 1 2 288.141 2.373 20 30 CEEDLO O=C(C#Cc1cccs1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000825694228 635696004 /nfs/dbraw/zinc/69/60/04/635696004.db2.gz SXEQBHSDNFNSIY-CYBMUJFWSA-N 1 2 285.372 2.160 20 30 CEEDLO C#CC1CCN(c2cc(N3CCC(C#C)CC3)[nH+]cn2)CC1 ZINC000826716000 635827336 /nfs/dbraw/zinc/82/73/36/635827336.db2.gz UBGDGIBFVHNCBH-UHFFFAOYSA-N 1 2 294.402 2.176 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1coc(C#N)c1 ZINC000826737043 635833394 /nfs/dbraw/zinc/83/33/94/635833394.db2.gz OQWKVVUBCGTDRX-OAHLLOKOSA-N 1 2 281.315 2.068 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1coc(C#N)c1 ZINC000826737043 635833400 /nfs/dbraw/zinc/83/34/00/635833400.db2.gz OQWKVVUBCGTDRX-OAHLLOKOSA-N 1 2 281.315 2.068 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000826857488 635862556 /nfs/dbraw/zinc/86/25/56/635862556.db2.gz RERWTFYKLUNSOZ-HUUCEWRRSA-N 1 2 295.342 2.174 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC000827692840 636394488 /nfs/dbraw/zinc/39/44/88/636394488.db2.gz PRQYHTGSLSXJFH-ZDUSSCGKSA-N 1 2 294.358 2.326 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC000827692840 636394492 /nfs/dbraw/zinc/39/44/92/636394492.db2.gz PRQYHTGSLSXJFH-ZDUSSCGKSA-N 1 2 294.358 2.326 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1cc(C)ccc1OC)C(=O)OC ZINC000905747241 636408597 /nfs/dbraw/zinc/40/85/97/636408597.db2.gz MGVMONQODXCDFE-AWEZNQCLSA-N 1 2 277.364 2.253 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C(=O)OC ZINC000905765259 636451688 /nfs/dbraw/zinc/45/16/88/636451688.db2.gz XZHBIOKRYAJFLZ-CYBMUJFWSA-N 1 2 269.291 2.215 20 30 CEEDLO C=CC[C@@H]([NH2+]CCCc1cccc(C)n1)C(=O)OC ZINC000905767955 636454509 /nfs/dbraw/zinc/45/45/09/636454509.db2.gz QUKXHPGUTZZFGC-CQSZACIVSA-N 1 2 262.353 2.030 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000906559384 636773904 /nfs/dbraw/zinc/77/39/04/636773904.db2.gz KGYRDSWCTMIZSZ-KKUMJFAQSA-N 1 2 289.379 2.028 20 30 CEEDLO C#CCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000043547317 637224818 /nfs/dbraw/zinc/22/48/18/637224818.db2.gz LGXDDVZYPSGEJY-NSHDSACASA-N 1 2 292.408 2.130 20 30 CEEDLO C#CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000043547317 637224824 /nfs/dbraw/zinc/22/48/24/637224824.db2.gz LGXDDVZYPSGEJY-NSHDSACASA-N 1 2 292.408 2.130 20 30 CEEDLO C#CCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000043547315 637225395 /nfs/dbraw/zinc/22/53/95/637225395.db2.gz LGXDDVZYPSGEJY-LLVKDONJSA-N 1 2 292.408 2.130 20 30 CEEDLO C#CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000043547315 637225397 /nfs/dbraw/zinc/22/53/97/637225397.db2.gz LGXDDVZYPSGEJY-LLVKDONJSA-N 1 2 292.408 2.130 20 30 CEEDLO Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc(C)c1C#N ZINC000908133495 637244641 /nfs/dbraw/zinc/24/46/41/637244641.db2.gz DEJRLGQQPAELMO-AWEZNQCLSA-N 1 2 294.358 2.116 20 30 CEEDLO C=CCC[C@@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000911718141 638370672 /nfs/dbraw/zinc/37/06/72/638370672.db2.gz ICDCTSRHDPLIAU-CYBMUJFWSA-N 1 2 262.357 2.023 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000912390166 638675564 /nfs/dbraw/zinc/67/55/64/638675564.db2.gz XOEMYQKLPJCRDN-IRVMHKCDSA-N 1 2 292.423 2.080 20 30 CEEDLO CC(N=Nc1cnccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000912962466 639130191 /nfs/dbraw/zinc/13/01/91/639130191.db2.gz XMJFKMZBGUQTQM-UHFFFAOYSA-N 1 2 278.319 2.498 20 30 CEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C#CC1CC1 ZINC000837431876 639226850 /nfs/dbraw/zinc/22/68/50/639226850.db2.gz UVETWAJCOOAFCE-UHFFFAOYSA-N 1 2 298.386 2.179 20 30 CEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCCn2cc[nH+]c2)c1 ZINC000840605179 639506805 /nfs/dbraw/zinc/50/68/05/639506805.db2.gz JWXXGGAZRJPBSV-JKSUJKDBSA-N 1 2 295.342 2.492 20 30 CEEDLO C#CCOc1ccc(C[NH2+][C@@H](C)c2csnn2)cc1 ZINC000840970920 639604986 /nfs/dbraw/zinc/60/49/86/639604986.db2.gz YEPIICOYGDIFDB-NSHDSACASA-N 1 2 273.361 2.401 20 30 CEEDLO Cc1cccc2c1CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000171608816 639723843 /nfs/dbraw/zinc/72/38/43/639723843.db2.gz JKNCVLPHTVPIQH-GOSISDBHSA-N 1 2 297.402 2.162 20 30 CEEDLO Cc1cccc2c1CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000171608816 639723846 /nfs/dbraw/zinc/72/38/46/639723846.db2.gz JKNCVLPHTVPIQH-GOSISDBHSA-N 1 2 297.402 2.162 20 30 CEEDLO CC[C@@H](CO[NH+]=C(N)c1ccc(Cl)cc1)OC ZINC000842019563 639920740 /nfs/dbraw/zinc/92/07/40/639920740.db2.gz QENIOVUUBROPHR-NSHDSACASA-N 1 2 256.733 2.402 20 30 CEEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000929756277 640095149 /nfs/dbraw/zinc/09/51/49/640095149.db2.gz DNQIHVXLYZQYTG-PMPSAXMXSA-N 1 2 269.348 2.033 20 30 CEEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000929756277 640095151 /nfs/dbraw/zinc/09/51/51/640095151.db2.gz DNQIHVXLYZQYTG-PMPSAXMXSA-N 1 2 269.348 2.033 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccn2C)[C@H]1C ZINC000993064354 640422345 /nfs/dbraw/zinc/42/23/45/640422345.db2.gz GLZDTGYXBBEPPB-CHWSQXEVSA-N 1 2 295.814 2.360 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccn2C)[C@H]1C ZINC000993064354 640422348 /nfs/dbraw/zinc/42/23/48/640422348.db2.gz GLZDTGYXBBEPPB-CHWSQXEVSA-N 1 2 295.814 2.360 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCCn2cccn2)c(O)c1 ZINC000914599979 640442249 /nfs/dbraw/zinc/44/22/49/640442249.db2.gz MFYUZCXVVZXPHV-FOWTUZBSSA-N 1 2 273.336 2.497 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(OC)c1C ZINC000843765592 640521888 /nfs/dbraw/zinc/52/18/88/640521888.db2.gz UKNPBAIGQGYICP-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(OC)c1C ZINC000843765592 640521892 /nfs/dbraw/zinc/52/18/92/640521892.db2.gz UKNPBAIGQGYICP-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO C#CCOc1ccccc1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844391589 640706268 /nfs/dbraw/zinc/70/62/68/640706268.db2.gz RUGSGTCTAZJNDD-CQSZACIVSA-N 1 2 297.358 2.163 20 30 CEEDLO C[C@@H](CC(=O)Oc1cccc(OCC#N)c1)n1cc[nH+]c1 ZINC000844580030 640773270 /nfs/dbraw/zinc/77/32/70/640773270.db2.gz WPPIXPODNQUNJY-LBPRGKRZSA-N 1 2 285.303 2.342 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]cnc2C)[C@H]1C ZINC000994549235 640929306 /nfs/dbraw/zinc/92/93/06/640929306.db2.gz PRWJTNLFSAFDKS-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]cnc2C)[C@H]1C ZINC000994549235 640929309 /nfs/dbraw/zinc/92/93/09/640929309.db2.gz PRWJTNLFSAFDKS-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO CC(C)(C)C#CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845554978 640998292 /nfs/dbraw/zinc/99/82/92/640998292.db2.gz NGBAEXJLRKGGOY-UHFFFAOYSA-N 1 2 274.364 2.355 20 30 CEEDLO Cc1ccc(NC(=O)CCCCC#N)c(N(C)C)[nH+]1 ZINC000846930502 641487726 /nfs/dbraw/zinc/48/77/26/641487726.db2.gz PXOQPEHQEXYGPS-UHFFFAOYSA-N 1 2 260.341 2.479 20 30 CEEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000846961304 641500562 /nfs/dbraw/zinc/50/05/62/641500562.db2.gz WHNYMNODHLIGQN-UHFFFAOYSA-N 1 2 293.392 2.039 20 30 CEEDLO N#Cc1ccccc1OCCO[NH+]=C(N)Cc1ccccc1 ZINC000181588856 641573490 /nfs/dbraw/zinc/57/34/90/641573490.db2.gz DDKUTTBISLEKJK-UHFFFAOYSA-N 1 2 295.342 2.469 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000182626968 641685541 /nfs/dbraw/zinc/68/55/41/641685541.db2.gz KLSZLYYAEDQXHE-HNNXBMFYSA-N 1 2 266.385 2.263 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000182626968 641685547 /nfs/dbraw/zinc/68/55/47/641685547.db2.gz KLSZLYYAEDQXHE-HNNXBMFYSA-N 1 2 266.385 2.263 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(C)nc1C ZINC000848416578 641984754 /nfs/dbraw/zinc/98/47/54/641984754.db2.gz QCWFGEKYOANKKI-UHFFFAOYSA-N 1 2 271.368 2.299 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000848419055 641987100 /nfs/dbraw/zinc/98/71/00/641987100.db2.gz QFDDNYPNCJMBMY-UHFFFAOYSA-N 1 2 287.323 2.195 20 30 CEEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C#N)C1CCCC1)C2 ZINC000921551546 642231633 /nfs/dbraw/zinc/23/16/33/642231633.db2.gz OLEPLAOQWYMTIG-WFASDCNBSA-N 1 2 286.379 2.022 20 30 CEEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)CC2 ZINC000921551546 642231635 /nfs/dbraw/zinc/23/16/35/642231635.db2.gz OLEPLAOQWYMTIG-WFASDCNBSA-N 1 2 286.379 2.022 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000850136846 642590976 /nfs/dbraw/zinc/59/09/76/642590976.db2.gz GEHONIOTERISGC-UHFFFAOYSA-N 1 2 281.359 2.131 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000921944781 642800472 /nfs/dbraw/zinc/80/04/72/642800472.db2.gz DGPAJKGJQUHWII-MRVPVSSYSA-N 1 2 261.354 2.151 20 30 CEEDLO CCc1nnc([C@H](C)[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000921944782 642800670 /nfs/dbraw/zinc/80/06/70/642800670.db2.gz DGPAJKGJQUHWII-QMMMGPOBSA-N 1 2 261.354 2.151 20 30 CEEDLO C#CCOCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000851978634 643251416 /nfs/dbraw/zinc/25/14/16/643251416.db2.gz NXSKPEFGKZZQHM-UHFFFAOYSA-N 1 2 294.192 2.457 20 30 CEEDLO C#CCOCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000851978634 643251421 /nfs/dbraw/zinc/25/14/21/643251421.db2.gz NXSKPEFGKZZQHM-UHFFFAOYSA-N 1 2 294.192 2.457 20 30 CEEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC000852104254 643308277 /nfs/dbraw/zinc/30/82/77/643308277.db2.gz FRHOBTQHKJYIHH-SECBINFHSA-N 1 2 263.288 2.448 20 30 CEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCO[C@H](C)C1 ZINC000852425723 643421533 /nfs/dbraw/zinc/42/15/33/643421533.db2.gz ZPYSVHLOMGLTDO-KGLIPLIRSA-N 1 2 281.396 2.078 20 30 CEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCO[C@H](C)C1 ZINC000852425723 643421536 /nfs/dbraw/zinc/42/15/36/643421536.db2.gz ZPYSVHLOMGLTDO-KGLIPLIRSA-N 1 2 281.396 2.078 20 30 CEEDLO C#CC[N@@H+](CCCC1CCOCC1)CC(=O)OC(C)(C)C ZINC000852425614 643421908 /nfs/dbraw/zinc/42/19/08/643421908.db2.gz VNRBYYAWXDGBKE-UHFFFAOYSA-N 1 2 295.423 2.470 20 30 CEEDLO C#CC[N@H+](CCCC1CCOCC1)CC(=O)OC(C)(C)C ZINC000852425614 643421913 /nfs/dbraw/zinc/42/19/13/643421913.db2.gz VNRBYYAWXDGBKE-UHFFFAOYSA-N 1 2 295.423 2.470 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H](CCO)CSC ZINC000853366828 643756790 /nfs/dbraw/zinc/75/67/90/643756790.db2.gz RSNIPHBIWIJSRV-CYBMUJFWSA-N 1 2 294.420 2.400 20 30 CEEDLO COC(=O)c1cccc(NN=Cc2c[nH+]c(C)n2C)c1C ZINC000853398097 643763659 /nfs/dbraw/zinc/76/36/59/643763659.db2.gz QEUAFEMNZJPRCX-UHFFFAOYSA-N 1 2 286.335 2.270 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)C(=O)NC ZINC000853453157 643774919 /nfs/dbraw/zinc/77/49/19/643774919.db2.gz OMZRZIFISXIFCY-UHFFFAOYSA-N 1 2 289.379 2.058 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)C)C1)C(=O)OC ZINC000839168747 644177840 /nfs/dbraw/zinc/17/78/40/644177840.db2.gz NWBDQCIEBIJTPR-MCIONIFRSA-N 1 2 251.370 2.356 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194408 644186616 /nfs/dbraw/zinc/18/66/16/644186616.db2.gz OAIYIFDDGDNZRY-DOMZBBRYSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194408 644186619 /nfs/dbraw/zinc/18/66/19/644186619.db2.gz OAIYIFDDGDNZRY-DOMZBBRYSA-N 1 2 260.312 2.308 20 30 CEEDLO C[C@H](C#N)CN(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000754175683 644336037 /nfs/dbraw/zinc/33/60/37/644336037.db2.gz SPXNFKWSJCDXRD-LLVKDONJSA-N 1 2 268.320 2.099 20 30 CEEDLO C[C@H](C#N)C[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000754375755 644364667 /nfs/dbraw/zinc/36/46/67/644364667.db2.gz YTUMLBAUSWPOJD-ABAIWWIYSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000754375755 644364671 /nfs/dbraw/zinc/36/46/71/644364671.db2.gz YTUMLBAUSWPOJD-ABAIWWIYSA-N 1 2 262.328 2.483 20 30 CEEDLO C=CCOc1ccccc1C(=O)OCc1c[nH+]cn1C ZINC000754688173 644416221 /nfs/dbraw/zinc/41/62/21/644416221.db2.gz WXUOYENNQAZZHV-UHFFFAOYSA-N 1 2 272.304 2.342 20 30 CEEDLO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000877831347 650926512 /nfs/dbraw/zinc/92/65/12/650926512.db2.gz WOVJRNBWRJFUNI-LLVKDONJSA-N 1 2 290.338 2.328 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758204416 644899300 /nfs/dbraw/zinc/89/93/00/644899300.db2.gz IYTFPKAMUDTLNS-UHFFFAOYSA-N 1 2 279.343 2.366 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758204416 644899308 /nfs/dbraw/zinc/89/93/08/644899308.db2.gz IYTFPKAMUDTLNS-UHFFFAOYSA-N 1 2 279.343 2.366 20 30 CEEDLO Cc1c[nH+]c2c(c1)N(C(=O)CC(C)(C)C#N)CCN2 ZINC000858000836 645045107 /nfs/dbraw/zinc/04/51/07/645045107.db2.gz NKQWFUMUYKXTHG-UHFFFAOYSA-N 1 2 258.325 2.088 20 30 CEEDLO CC(=[NH+]Nc1cnn(C)c1)c1cccc(N2CCOCC2)c1 ZINC000761869977 645329333 /nfs/dbraw/zinc/32/93/33/645329333.db2.gz OWZKTZBIFNRLFV-UHFFFAOYSA-N 1 2 299.378 2.093 20 30 CEEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccccc1N(C)C ZINC000761881092 645331735 /nfs/dbraw/zinc/33/17/35/645331735.db2.gz JEVMVMQDHPAJQN-UHFFFAOYSA-N 1 2 257.341 2.322 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccncc1Br)[C@@H]1CCCO1 ZINC000859258777 645439200 /nfs/dbraw/zinc/43/92/00/645439200.db2.gz SXJWWMRPTFAQKA-STQMWFEESA-N 1 2 295.180 2.115 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](CC(=O)N(CCC)CC(F)(F)F)C1 ZINC000859336441 645461947 /nfs/dbraw/zinc/46/19/47/645461947.db2.gz PILFEGUIXFBIKI-LBPRGKRZSA-N 1 2 290.329 2.133 20 30 CEEDLO C#C[C@H]1CCC[N@H+](CC(=O)N(CCC)CC(F)(F)F)C1 ZINC000859336441 645461951 /nfs/dbraw/zinc/46/19/51/645461951.db2.gz PILFEGUIXFBIKI-LBPRGKRZSA-N 1 2 290.329 2.133 20 30 CEEDLO C=CC[N@H+](Cc1cc(Cl)n(C)n1)[C@H](C)COC ZINC000859344511 645463514 /nfs/dbraw/zinc/46/35/14/645463514.db2.gz WMHJINWIDUVSHR-SNVBAGLBSA-N 1 2 257.765 2.096 20 30 CEEDLO C=CC[N@@H+](Cc1cc(Cl)n(C)n1)[C@H](C)COC ZINC000859344511 645463519 /nfs/dbraw/zinc/46/35/19/645463519.db2.gz WMHJINWIDUVSHR-SNVBAGLBSA-N 1 2 257.765 2.096 20 30 CEEDLO C[C@@H](C[N@H+](C)C[C@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097318 645699237 /nfs/dbraw/zinc/69/92/37/645699237.db2.gz PBCAIHXBKDXZNV-STQMWFEESA-N 1 2 294.399 2.275 20 30 CEEDLO C[C@@H](C[N@@H+](C)C[C@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097318 645699246 /nfs/dbraw/zinc/69/92/46/645699246.db2.gz PBCAIHXBKDXZNV-STQMWFEESA-N 1 2 294.399 2.275 20 30 CEEDLO COc1cc(C#N)ccc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000766899137 645934719 /nfs/dbraw/zinc/93/47/19/645934719.db2.gz LVHKJAKTRAFGLB-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO COc1cc(C#N)ccc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000766899137 645934721 /nfs/dbraw/zinc/93/47/21/645934721.db2.gz LVHKJAKTRAFGLB-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO CN(C)c1cc(COC(=O)Cc2cccc(C#N)c2)cc[nH+]1 ZINC000767558878 646006350 /nfs/dbraw/zinc/00/63/50/646006350.db2.gz GLVDPIGCSPKXFU-UHFFFAOYSA-N 1 2 295.342 2.305 20 30 CEEDLO CN(C)c1ccc(C=[NH+]NC(=S)Nc2ccccn2)cc1 ZINC000767805695 646042950 /nfs/dbraw/zinc/04/29/50/646042950.db2.gz SVSMWFFOHMNJAV-UHFFFAOYSA-N 1 2 299.403 2.468 20 30 CEEDLO C=CCNC(=S)N[NH+]=C(C)c1ccccc1N(C)C ZINC000769568017 646287799 /nfs/dbraw/zinc/28/77/99/646287799.db2.gz WJSZGSSZWVYZSW-UHFFFAOYSA-N 1 2 276.409 2.127 20 30 CEEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)C1SC=CC1=O ZINC000769798729 646318387 /nfs/dbraw/zinc/31/83/87/646318387.db2.gz DRWPMXGMOPYMDO-NXEZZACHSA-N 1 2 278.381 2.038 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1Cc2c(cccc2OC)C1=O ZINC000863262058 646688665 /nfs/dbraw/zinc/68/86/65/646688665.db2.gz BKJWMGAZOAFQDS-UHFFFAOYSA-N 1 2 260.337 2.116 20 30 CEEDLO C=C(C)C[N@H+](C)CN1Cc2c(cccc2OC)C1=O ZINC000863262058 646688669 /nfs/dbraw/zinc/68/86/69/646688669.db2.gz BKJWMGAZOAFQDS-UHFFFAOYSA-N 1 2 260.337 2.116 20 30 CEEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(F)c(C)c2)s1 ZINC000773177401 646713786 /nfs/dbraw/zinc/71/37/86/646713786.db2.gz KEFBOKXDOXTHOC-UHFFFAOYSA-N 1 2 280.328 2.131 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000773328284 646726657 /nfs/dbraw/zinc/72/66/57/646726657.db2.gz JUKZBXOMQNDUIB-AWEZNQCLSA-N 1 2 259.353 2.240 20 30 CEEDLO C#CCOc1cccc(OC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC000774076107 646800336 /nfs/dbraw/zinc/80/03/36/646800336.db2.gz ITGVHROKALJTTN-MRXNPFEDSA-N 1 2 287.359 2.478 20 30 CEEDLO C#CCOc1cccc(OC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC000774076107 646800338 /nfs/dbraw/zinc/80/03/38/646800338.db2.gz ITGVHROKALJTTN-MRXNPFEDSA-N 1 2 287.359 2.478 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000775789485 646992348 /nfs/dbraw/zinc/99/23/48/646992348.db2.gz CXPDHDUEVQLOGU-LSDHHAIUSA-N 1 2 274.751 2.482 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000775797690 646994393 /nfs/dbraw/zinc/99/43/93/646994393.db2.gz FVYHGOLHMDMYII-IRXDYDNUSA-N 1 2 299.349 2.282 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000775796277 646994568 /nfs/dbraw/zinc/99/45/68/646994568.db2.gz UWTQOCNCDUGJRB-OCCSQVGLSA-N 1 2 278.283 2.004 20 30 CEEDLO N#CC1(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000776096327 647022432 /nfs/dbraw/zinc/02/24/32/647022432.db2.gz JIJSNMWNSNNNQF-UHFFFAOYSA-N 1 2 267.288 2.475 20 30 CEEDLO CN(C(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)cc1 ZINC000776966930 647100261 /nfs/dbraw/zinc/10/02/61/647100261.db2.gz QKWKORULUSYBMD-UHFFFAOYSA-N 1 2 276.299 2.483 20 30 CEEDLO CC(C)C[C@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000777102838 647114288 /nfs/dbraw/zinc/11/42/88/647114288.db2.gz OOMCZRBXXSLFNW-LLVKDONJSA-N 1 2 256.309 2.002 20 30 CEEDLO CCCn1cc(CNc2[nH]c3ccc(C#N)cc3[nH+]2)nn1 ZINC000865295659 647235798 /nfs/dbraw/zinc/23/57/98/647235798.db2.gz JLNMOSRIXCYTEJ-UHFFFAOYSA-N 1 2 281.323 2.048 20 30 CEEDLO COc1ccc(C[NH2+]Cc2ncnn2C(C)C)cc1C#N ZINC000865505749 647329872 /nfs/dbraw/zinc/32/98/72/647329872.db2.gz IPIXMRMAWXVSPU-UHFFFAOYSA-N 1 2 285.351 2.029 20 30 CEEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(-c3ccncc3)cc2F)N1 ZINC000779783232 647349955 /nfs/dbraw/zinc/34/99/55/647349955.db2.gz IJMTYUXUWJKXLK-LLVKDONJSA-N 1 2 297.337 2.159 20 30 CEEDLO COC(=O)c1cccc(N[NH+]=Cc2cnccc2N(C)C)c1 ZINC000779828019 647363056 /nfs/dbraw/zinc/36/30/56/647363056.db2.gz PRIAPWHMWKRENF-UHFFFAOYSA-N 1 2 298.346 2.380 20 30 CEEDLO C[NH+](C)[C@@H](C(=O)OCC1(C#N)CC1)c1ccccc1 ZINC000780089196 647387201 /nfs/dbraw/zinc/38/72/01/647387201.db2.gz MVINQFGJNBSBIS-CYBMUJFWSA-N 1 2 258.321 2.136 20 30 CEEDLO Cc1nsc(N[C@@H]2CCC[N@H+](CCF)C2)c1C#N ZINC000865928458 647539903 /nfs/dbraw/zinc/53/99/03/647539903.db2.gz YJWNWLAHCMZUJV-SNVBAGLBSA-N 1 2 268.361 2.169 20 30 CEEDLO Cc1nsc(N[C@@H]2CCC[N@@H+](CCF)C2)c1C#N ZINC000865928458 647539906 /nfs/dbraw/zinc/53/99/06/647539906.db2.gz YJWNWLAHCMZUJV-SNVBAGLBSA-N 1 2 268.361 2.169 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(C#N)c1O ZINC000866269045 647707388 /nfs/dbraw/zinc/70/73/88/647707388.db2.gz AERWSVKXZYCKHK-SDDRHHMPSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(C#N)c1O ZINC000866272420 647709496 /nfs/dbraw/zinc/70/94/96/647709496.db2.gz WIXDORAMQXSPMA-CORIIIEPSA-N 1 2 274.364 2.466 20 30 CEEDLO CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866280842 647715032 /nfs/dbraw/zinc/71/50/32/647715032.db2.gz DETDHCVFVPRRCE-NWDGAFQWSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@H]([NH2+]CCCNc1ncccn1)c1cccc(C#N)c1O ZINC000866281187 647715144 /nfs/dbraw/zinc/71/51/44/647715144.db2.gz FQVSGIWAMIBNDN-LBPRGKRZSA-N 1 2 297.362 2.207 20 30 CEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000783531703 647726379 /nfs/dbraw/zinc/72/63/79/647726379.db2.gz LDADWTRDXCGKFS-VIFPVBQESA-N 1 2 288.438 2.011 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866311751 647730561 /nfs/dbraw/zinc/73/05/61/647730561.db2.gz NOSWWIDQKCSZSC-MDZLAQPJSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(C#N)c1O ZINC000866350500 647750287 /nfs/dbraw/zinc/75/02/87/647750287.db2.gz CVJPEWXSSQFSFB-SMDDNHRTSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+]CCC1(CO)CC1)c1cccc(C#N)c1O ZINC000866371703 647761470 /nfs/dbraw/zinc/76/14/70/647761470.db2.gz MYGMHELVRXXDDC-NSHDSACASA-N 1 2 260.337 2.077 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000784014954 647787300 /nfs/dbraw/zinc/78/73/00/647787300.db2.gz PDABAOBMACTKAF-HNNXBMFYSA-N 1 2 274.320 2.247 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000784014954 647787306 /nfs/dbraw/zinc/78/73/06/647787306.db2.gz PDABAOBMACTKAF-HNNXBMFYSA-N 1 2 274.320 2.247 20 30 CEEDLO C=CCNc1ncc(C(=O)OCCCn2cc[nH+]c2)s1 ZINC000784258990 647825581 /nfs/dbraw/zinc/82/55/81/647825581.db2.gz IHYVDYMZXKWIEG-UHFFFAOYSA-N 1 2 292.364 2.185 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000784448864 647850942 /nfs/dbraw/zinc/85/09/42/647850942.db2.gz APBJVUSLBUWAOZ-CABCVRRESA-N 1 2 262.328 2.485 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000784448864 647850944 /nfs/dbraw/zinc/85/09/44/647850944.db2.gz APBJVUSLBUWAOZ-CABCVRRESA-N 1 2 262.328 2.485 20 30 CEEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000786805779 648046788 /nfs/dbraw/zinc/04/67/88/648046788.db2.gz RFASISIWLXFXGC-UHFFFAOYSA-N 1 2 275.315 2.173 20 30 CEEDLO c1ccc(N2CCC(N=NCCc3ccncc3)CC2)[nH+]c1 ZINC000789094758 648257940 /nfs/dbraw/zinc/25/79/40/648257940.db2.gz YDYKHZVQUKPQOU-UHFFFAOYSA-N 1 2 295.390 2.265 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(O)cccc2OC)n1 ZINC000789758288 648338267 /nfs/dbraw/zinc/33/82/67/648338267.db2.gz IWBJAXFYPBNLDM-UHFFFAOYSA-N 1 2 299.374 2.253 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(O)cccc2OC)n1 ZINC000789758288 648338272 /nfs/dbraw/zinc/33/82/72/648338272.db2.gz IWBJAXFYPBNLDM-UHFFFAOYSA-N 1 2 299.374 2.253 20 30 CEEDLO C#CC1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000869105981 648351315 /nfs/dbraw/zinc/35/13/15/648351315.db2.gz BLRDASOIDBBFPW-KRWDZBQOSA-N 1 2 297.402 2.228 20 30 CEEDLO C#CC1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000869105981 648351316 /nfs/dbraw/zinc/35/13/16/648351316.db2.gz BLRDASOIDBBFPW-KRWDZBQOSA-N 1 2 297.402 2.228 20 30 CEEDLO CC(=NNc1[nH+]ccn1C)c1ccc2c(c1)OCCO2 ZINC000790301656 648403719 /nfs/dbraw/zinc/40/37/19/648403719.db2.gz HJKAFYQYXNLRNE-UHFFFAOYSA-N 1 2 272.308 2.027 20 30 CEEDLO C=CCOc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790305959 648404631 /nfs/dbraw/zinc/40/46/31/648404631.db2.gz RFTABNQGBBQFDO-UHFFFAOYSA-N 1 2 256.309 2.431 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792052758 648603877 /nfs/dbraw/zinc/60/38/77/648603877.db2.gz DOVARFDBWYQZFV-UHFFFAOYSA-N 1 2 267.288 2.201 20 30 CEEDLO C=C(Cl)CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000793534618 648772214 /nfs/dbraw/zinc/77/22/14/648772214.db2.gz QNSIGRNRBIBINZ-UHFFFAOYSA-N 1 2 299.708 2.492 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+](C)CC2CCCCC2)c1=S ZINC000794616769 648894499 /nfs/dbraw/zinc/89/44/99/648894499.db2.gz 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/nfs/dbraw/zinc/28/99/48/649289948.db2.gz CUDGIOABNFUEBI-BPLDGKMQSA-N 1 2 281.363 2.071 20 30 CEEDLO C=CC(C)(C)CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000872979491 649522698 /nfs/dbraw/zinc/52/26/98/649522698.db2.gz YPWDPOJECNBYLW-CYBMUJFWSA-N 1 2 290.411 2.490 20 30 CEEDLO C=C(C)C[C@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000878564848 651131899 /nfs/dbraw/zinc/13/18/99/651131899.db2.gz FBFYCABMMVVDKR-CYBMUJFWSA-N 1 2 288.351 2.091 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@H]1SCC)C(=O)OC ZINC000878596171 651137317 /nfs/dbraw/zinc/13/73/17/651137317.db2.gz AFULBUNSSRHFNA-SDDRHHMPSA-N 1 2 257.399 2.368 20 30 CEEDLO C#CC1CC[NH+]([C@H](C(=O)OC)c2cccc(OC)c2)CC1 ZINC000878764170 651181394 /nfs/dbraw/zinc/18/13/94/651181394.db2.gz RBXXWTLQXVUVDU-INIZCTEOSA-N 1 2 287.359 2.255 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CC1 ZINC000879226030 651264444 /nfs/dbraw/zinc/26/44/44/651264444.db2.gz IVBYATITIOSQQN-RYUDHWBXSA-N 1 2 279.384 2.278 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(C#N)CC1 ZINC000879226030 651264447 /nfs/dbraw/zinc/26/44/47/651264447.db2.gz IVBYATITIOSQQN-RYUDHWBXSA-N 1 2 279.384 2.278 20 30 CEEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1C ZINC000879599187 651328932 /nfs/dbraw/zinc/32/89/32/651328932.db2.gz KKNMDWGWVMBTSZ-QGZVFWFLSA-N 1 2 287.407 2.361 20 30 CEEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCN1C ZINC000879599187 651328934 /nfs/dbraw/zinc/32/89/34/651328934.db2.gz KKNMDWGWVMBTSZ-QGZVFWFLSA-N 1 2 287.407 2.361 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CF)C1 ZINC000880298177 651418726 /nfs/dbraw/zinc/41/87/26/651418726.db2.gz ZFBJXAPBQRXJOG-OCCSQVGLSA-N 1 2 276.311 2.064 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CF)C1 ZINC000880298177 651418727 /nfs/dbraw/zinc/41/87/27/651418727.db2.gz ZFBJXAPBQRXJOG-OCCSQVGLSA-N 1 2 276.311 2.064 20 30 CEEDLO C=CCC[NH2+][C@@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000880386590 651434262 /nfs/dbraw/zinc/43/42/62/651434262.db2.gz GYDKSHFWNHGILD-HNNXBMFYSA-N 1 2 265.328 2.466 20 30 CEEDLO Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C#N)n1 ZINC000882129803 651974432 /nfs/dbraw/zinc/97/44/32/651974432.db2.gz CTJQUMUWFPWVNF-ZDUSSCGKSA-N 1 2 279.347 2.348 20 30 CEEDLO COCc1cc(C#N)ccc1NCc1c[nH+]cn1C ZINC000882383889 652052804 /nfs/dbraw/zinc/05/28/04/652052804.db2.gz ITFQLNBNHQOJPV-UHFFFAOYSA-N 1 2 256.309 2.050 20 30 CEEDLO N#Cc1ccccc1CO[NH+]=C(N)c1ccccc1 ZINC000028774980 652555704 /nfs/dbraw/zinc/55/57/04/652555704.db2.gz WYQYPMWSBPSWGR-UHFFFAOYSA-N 1 2 251.289 2.395 20 30 CEEDLO CSc1nc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)ccc1C#N ZINC001141941420 805885110 /nfs/dbraw/zinc/88/51/10/805885110.db2.gz IZVUQODKCKOQTG-TXEJJXNPSA-N 1 2 287.388 2.086 20 30 CEEDLO CSc1nc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)ccc1C#N ZINC001141941420 805885121 /nfs/dbraw/zinc/88/51/21/805885121.db2.gz IZVUQODKCKOQTG-TXEJJXNPSA-N 1 2 287.388 2.086 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2occc2C)[C@H]1C ZINC001088843857 806114149 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C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1[nH]ccc1C ZINC001272005268 806239767 /nfs/dbraw/zinc/23/97/67/806239767.db2.gz PIVBXZMTAIOXFQ-UHFFFAOYSA-N 1 2 269.776 2.079 20 30 CEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1[nH]ccc1C ZINC001272005268 806239768 /nfs/dbraw/zinc/23/97/68/806239768.db2.gz PIVBXZMTAIOXFQ-UHFFFAOYSA-N 1 2 269.776 2.079 20 30 CEEDLO C[C@H](Cc1ccc(Cl)cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001168185153 806384819 /nfs/dbraw/zinc/38/48/19/806384819.db2.gz XIMDVKKCQXCIGK-RISCZKNCSA-N 1 2 263.772 2.068 20 30 CEEDLO N=C(Nc1cc2[nH+]c[nH]c2cc1F)c1nccs1 ZINC001168284434 806613584 /nfs/dbraw/zinc/61/35/84/806613584.db2.gz UVDFSWVJQPUCDS-UHFFFAOYSA-N 1 2 261.285 2.196 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001038491407 806722573 /nfs/dbraw/zinc/72/25/73/806722573.db2.gz IYPQLOROFBZEQK-LBPRGKRZSA-N 1 2 276.405 2.138 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001038491407 806722577 /nfs/dbraw/zinc/72/25/77/806722577.db2.gz IYPQLOROFBZEQK-LBPRGKRZSA-N 1 2 276.405 2.138 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001039054542 802439114 /nfs/dbraw/zinc/43/91/14/802439114.db2.gz IVFVEZQKUDUAHF-ZDUSSCGKSA-N 1 2 296.370 2.433 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001039054542 802439119 /nfs/dbraw/zinc/43/91/19/802439119.db2.gz IVFVEZQKUDUAHF-ZDUSSCGKSA-N 1 2 296.370 2.433 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC001140135054 802620056 /nfs/dbraw/zinc/62/00/56/802620056.db2.gz PIMJCYDLZXPLPV-CYBMUJFWSA-N 1 2 293.342 2.097 20 30 CEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)n2)C1 ZINC001140135054 802620060 /nfs/dbraw/zinc/62/00/60/802620060.db2.gz PIMJCYDLZXPLPV-CYBMUJFWSA-N 1 2 293.342 2.097 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001266498850 802634517 /nfs/dbraw/zinc/63/45/17/802634517.db2.gz GLRNTFCODHWGJG-OAGGEKHMSA-N 1 2 276.424 2.367 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001266498850 802634522 /nfs/dbraw/zinc/63/45/22/802634522.db2.gz GLRNTFCODHWGJG-OAGGEKHMSA-N 1 2 276.424 2.367 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109202532 811839183 /nfs/dbraw/zinc/83/91/83/811839183.db2.gz GKDCKUHGOSHUPN-OCCSQVGLSA-N 1 2 290.411 2.328 20 30 CEEDLO C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109202533 811839800 /nfs/dbraw/zinc/83/98/00/811839800.db2.gz GKDCKUHGOSHUPN-TZMCWYRMSA-N 1 2 290.411 2.328 20 30 CEEDLO Cc1ncsc1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721537068 803320786 /nfs/dbraw/zinc/32/07/86/803320786.db2.gz AFMJQMDNBHISIS-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO Cc1ncsc1C[N@H+](C)Cc1cncc(C#N)c1 ZINC000721537068 803320800 /nfs/dbraw/zinc/32/08/00/803320800.db2.gz AFMJQMDNBHISIS-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H](CC)CO1 ZINC000721622540 803537397 /nfs/dbraw/zinc/53/73/97/803537397.db2.gz JAQXBRLOPMPQLU-LSDHHAIUSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@@H](CC)CO1 ZINC000721622540 803537400 /nfs/dbraw/zinc/53/74/00/803537400.db2.gz JAQXBRLOPMPQLU-LSDHHAIUSA-N 1 2 259.353 2.343 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001267666223 803649526 /nfs/dbraw/zinc/64/95/26/803649526.db2.gz CYHFNOFODYEWPP-HNNXBMFYSA-N 1 2 280.387 2.119 20 30 CEEDLO Cc1[nH+]c(N)ccc1CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167786318 804173667 /nfs/dbraw/zinc/17/36/67/804173667.db2.gz BGUNJTXMEIMQGG-UHFFFAOYSA-N 1 2 278.319 2.332 20 30 CEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686894 804462531 /nfs/dbraw/zinc/46/25/31/804462531.db2.gz GPQICBHNVAXIFO-LLVKDONJSA-N 1 2 278.739 2.207 20 30 CEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686894 804462533 /nfs/dbraw/zinc/46/25/33/804462533.db2.gz GPQICBHNVAXIFO-LLVKDONJSA-N 1 2 278.739 2.207 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001038883760 804479885 /nfs/dbraw/zinc/47/98/85/804479885.db2.gz JJRSJTLCBPYQTL-INIZCTEOSA-N 1 2 295.386 2.006 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001038883760 804479890 /nfs/dbraw/zinc/47/98/90/804479890.db2.gz JJRSJTLCBPYQTL-INIZCTEOSA-N 1 2 295.386 2.006 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001268867909 804990874 /nfs/dbraw/zinc/99/08/74/804990874.db2.gz WEYJXXVDRVTFNK-CYBMUJFWSA-N 1 2 291.395 2.133 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001269061523 805037523 /nfs/dbraw/zinc/03/75/23/805037523.db2.gz KCPJJOJSWAFJTI-SWLSCSKDSA-N 1 2 293.436 2.436 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001269061523 805037530 /nfs/dbraw/zinc/03/75/30/805037530.db2.gz KCPJJOJSWAFJTI-SWLSCSKDSA-N 1 2 293.436 2.436 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001269350245 805136555 /nfs/dbraw/zinc/13/65/55/805136555.db2.gz HBXAQMOVYACOOF-HNNXBMFYSA-N 1 2 274.408 2.337 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001269350245 805136559 /nfs/dbraw/zinc/13/65/59/805136559.db2.gz HBXAQMOVYACOOF-HNNXBMFYSA-N 1 2 274.408 2.337 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccoc2)c1 ZINC001038055422 807008989 /nfs/dbraw/zinc/00/89/89/807008989.db2.gz IVCBHNOQICTCQR-MRXNPFEDSA-N 1 2 295.342 2.156 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccoc2)c1 ZINC001038055422 807008997 /nfs/dbraw/zinc/00/89/97/807008997.db2.gz IVCBHNOQICTCQR-MRXNPFEDSA-N 1 2 295.342 2.156 20 30 CEEDLO C=CCC[C@H]([NH2+]CC1(OC)CCC1)C(=O)OCC ZINC001119301869 815086011 /nfs/dbraw/zinc/08/60/11/815086011.db2.gz JVMPTAULRKLYAW-LBPRGKRZSA-N 1 2 255.358 2.043 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3occc3c2)C1 ZINC001030351618 807151432 /nfs/dbraw/zinc/15/14/32/807151432.db2.gz MELZRQVPMNRGIU-UHFFFAOYSA-N 1 2 270.332 2.423 20 30 CEEDLO COCCCC1(C=[NH+]n2nnc(C)c2C)CCC1 ZINC001119357997 815098674 /nfs/dbraw/zinc/09/86/74/815098674.db2.gz NWZXGNXGLCRCGW-UHFFFAOYSA-N 1 2 250.346 2.326 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(CCCC)cc2)C1 ZINC001030638856 807274809 /nfs/dbraw/zinc/27/48/09/807274809.db2.gz ORCVMIWLIMNANW-UHFFFAOYSA-N 1 2 284.403 2.467 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1=S ZINC001119392970 815105264 /nfs/dbraw/zinc/10/52/64/815105264.db2.gz CLOGNCLGMFDSMP-TXEJJXNPSA-N 1 2 296.465 2.161 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1=S ZINC001119392970 815105268 /nfs/dbraw/zinc/10/52/68/815105268.db2.gz CLOGNCLGMFDSMP-TXEJJXNPSA-N 1 2 296.465 2.161 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001030668697 807299993 /nfs/dbraw/zinc/29/99/93/807299993.db2.gz FWXTYYJTCDLFFE-UHFFFAOYSA-N 1 2 280.318 2.153 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001030857781 807435603 /nfs/dbraw/zinc/43/56/03/807435603.db2.gz GMNOTIUKRJXYIM-UHFFFAOYSA-N 1 2 299.418 2.270 20 30 CEEDLO C=C1CC(C)(C(=O)N[C@H](C)CCNc2cc[nH+]c(C)n2)C1 ZINC001106576693 807781284 /nfs/dbraw/zinc/78/12/84/807781284.db2.gz ZZLHJXAASWEHJD-GFCCVEGCSA-N 1 2 288.395 2.448 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031214864 807787559 /nfs/dbraw/zinc/78/75/59/807787559.db2.gz OVBJEUKQZCMFIL-HOCLYGCPSA-N 1 2 294.439 2.204 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OCC)cc2)C1 ZINC001031334759 807919235 /nfs/dbraw/zinc/91/92/35/807919235.db2.gz KLCBUAUNVNGPGW-UHFFFAOYSA-N 1 2 274.364 2.075 20 30 CEEDLO N#CC1(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)CC1 ZINC001119888762 815167753 /nfs/dbraw/zinc/16/77/53/815167753.db2.gz LXBNIRWPBLEHFE-ZDUSSCGKSA-N 1 2 268.364 2.170 20 30 CEEDLO N#CC1(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)CC1 ZINC001119888762 815167756 /nfs/dbraw/zinc/16/77/56/815167756.db2.gz LXBNIRWPBLEHFE-ZDUSSCGKSA-N 1 2 268.364 2.170 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001031781125 808133740 /nfs/dbraw/zinc/13/37/40/808133740.db2.gz KHJWZRXZXIHYAR-MGPQQGTHSA-N 1 2 282.815 2.223 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001032042792 808259464 /nfs/dbraw/zinc/25/94/64/808259464.db2.gz KJROAPNQDFKLLG-UONOGXRCSA-N 1 2 282.815 2.223 20 30 CEEDLO Cc1ccc(CC[C@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001171669606 815210551 /nfs/dbraw/zinc/21/05/51/815210551.db2.gz ANFNMOMJJVTQRM-GOEBONIOSA-N 1 2 257.381 2.114 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000355548335 808604313 /nfs/dbraw/zinc/60/43/13/808604313.db2.gz RKAVBECITFUHNR-SWLSCSKDSA-N 1 2 274.368 2.066 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032421110 808605014 /nfs/dbraw/zinc/60/50/14/808605014.db2.gz NZBKGUVQMMTGQT-YQQAZPJKSA-N 1 2 272.392 2.041 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032421110 808605016 /nfs/dbraw/zinc/60/50/16/808605016.db2.gz NZBKGUVQMMTGQT-YQQAZPJKSA-N 1 2 272.392 2.041 20 30 CEEDLO Cc1coc(Nc2ccc[nH+]c2N2CCOCC2)c1C#N ZINC001212356435 808653849 /nfs/dbraw/zinc/65/38/49/808653849.db2.gz XMJLWLHQWGALOC-UHFFFAOYSA-N 1 2 284.319 2.435 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038522032 808665348 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N#C[C@@H]1C[N@@H+](CCC[C@@H]2CCO2)CCN1Cc1ccccc1 ZINC000602427651 347028233 /nfs/dbraw/zinc/02/82/33/347028233.db2.gz HIRWSTJPOKOCHC-QZTJIDSGSA-N 1 2 299.418 2.265 20 30 CEEDLO CC[N@@H+](Cc1c2c(nn1C)CCCC2)C[C@@H](C)C#N ZINC000602446681 347036774 /nfs/dbraw/zinc/03/67/74/347036774.db2.gz HMZZXCRPFFIEQD-LBPRGKRZSA-N 1 2 260.385 2.280 20 30 CEEDLO CC[N@H+](Cc1c2c(nn1C)CCCC2)C[C@@H](C)C#N ZINC000602446681 347036778 /nfs/dbraw/zinc/03/67/78/347036778.db2.gz HMZZXCRPFFIEQD-LBPRGKRZSA-N 1 2 260.385 2.280 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)o1 ZINC000093687380 344228076 /nfs/dbraw/zinc/22/80/76/344228076.db2.gz KWQRJBHOHXVBAH-UHFFFAOYSA-N 1 2 286.310 2.008 20 30 CEEDLO COC(=O)c1cc(C[N@H+](CCC#N)C(C)C)[nH]c1C ZINC000602448135 347037534 /nfs/dbraw/zinc/03/75/34/347037534.db2.gz LTMBRLIMVBQPOL-UHFFFAOYSA-N 1 2 263.341 2.234 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](CCC#N)C(C)C)[nH]c1C ZINC000602448135 347037536 /nfs/dbraw/zinc/03/75/36/347037536.db2.gz LTMBRLIMVBQPOL-UHFFFAOYSA-N 1 2 263.341 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277.412 2.473 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000143168712 344404731 /nfs/dbraw/zinc/40/47/31/344404731.db2.gz IARNIZFMTKSTDI-KGLIPLIRSA-N 1 2 277.412 2.473 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000161899680 344465834 /nfs/dbraw/zinc/46/58/34/344465834.db2.gz HWJOARYNBKPESI-AWEZNQCLSA-N 1 2 287.363 2.259 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000161899680 344465836 /nfs/dbraw/zinc/46/58/36/344465836.db2.gz HWJOARYNBKPESI-AWEZNQCLSA-N 1 2 287.363 2.259 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1nccn1C ZINC000165477529 344474374 /nfs/dbraw/zinc/47/43/74/344474374.db2.gz WNJQSCVLVJMXOR-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1nccn1C ZINC000165477529 344474375 /nfs/dbraw/zinc/47/43/75/344474375.db2.gz WNJQSCVLVJMXOR-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO N#CCCN(CC(F)(F)F)C(=O)c1ccc2[nH+]ccn2c1 ZINC000177616909 344502023 /nfs/dbraw/zinc/50/20/23/344502023.db2.gz 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/nfs/dbraw/zinc/64/87/60/344648760.db2.gz HPLOAAGSFAQLGV-JTQLQIEISA-N 1 2 256.309 2.370 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000523354707 344928614 /nfs/dbraw/zinc/92/86/14/344928614.db2.gz YUYIYZQGQKWPTR-HNNXBMFYSA-N 1 2 268.320 2.294 20 30 CEEDLO C[C@H](OC1CCCCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580837037 344953178 /nfs/dbraw/zinc/95/31/78/344953178.db2.gz OBMQLPCQSSVXTE-XJKSGUPXSA-N 1 2 295.427 2.074 20 30 CEEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000588202082 345043150 /nfs/dbraw/zinc/04/31/50/345043150.db2.gz VXFXOJOTBLMSIM-HNNXBMFYSA-N 1 2 296.798 2.105 20 30 CEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000588202082 345043151 /nfs/dbraw/zinc/04/31/51/345043151.db2.gz VXFXOJOTBLMSIM-HNNXBMFYSA-N 1 2 296.798 2.105 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3cccc(C#N)n3)ccc2n1C ZINC000589437906 345080607 /nfs/dbraw/zinc/08/06/07/345080607.db2.gz IMXOEBGDMPSTRS-UHFFFAOYSA-N 1 2 291.314 2.401 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)o1 ZINC000589516134 345085902 /nfs/dbraw/zinc/08/59/02/345085902.db2.gz GJNCLWCGAPXSCV-UHFFFAOYSA-N 1 2 291.332 2.074 20 30 CEEDLO CN(CC(C)(C)C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000590119907 345115118 /nfs/dbraw/zinc/11/51/18/345115118.db2.gz QAWWDBWIVZKIAX-UHFFFAOYSA-N 1 2 271.324 2.348 20 30 CEEDLO COc1cc(CNc2cc3cc[nH]c3c[nH+]2)ccc1C#N ZINC000589604127 345088767 /nfs/dbraw/zinc/08/87/67/345088767.db2.gz HFALATWGVVJSMZ-UHFFFAOYSA-N 1 2 278.315 2.477 20 30 CEEDLO Cc1cccn2cc(CCNc3ccc(C#N)c(C)n3)[nH+]c12 ZINC000589864362 345102830 /nfs/dbraw/zinc/10/28/30/345102830.db2.gz WPUQSDARMWKDEP-UHFFFAOYSA-N 1 2 291.358 2.294 20 30 CEEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1C ZINC000591257380 345235333 /nfs/dbraw/zinc/23/53/33/345235333.db2.gz WQUJITXNJCMFOU-UHFFFAOYSA-N 1 2 258.300 2.029 20 30 CEEDLO CC(C)(CC#N)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590949397 345203487 /nfs/dbraw/zinc/20/34/87/345203487.db2.gz UFHGDLDGKNSCFM-ZDUSSCGKSA-N 1 2 289.383 2.169 20 30 CEEDLO Cc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000591987980 345310863 /nfs/dbraw/zinc/31/08/63/345310863.db2.gz NZVJFHLPPOBMNR-BETUJISGSA-N 1 2 259.353 2.442 20 30 CEEDLO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000592399579 345350402 /nfs/dbraw/zinc/35/04/02/345350402.db2.gz NGPWJKIERSNARQ-TUAOUCFPSA-N 1 2 252.358 2.389 20 30 CEEDLO N#CCCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000592133536 345327780 /nfs/dbraw/zinc/32/77/80/345327780.db2.gz XNAFNAATGNMSTQ-UHFFFAOYSA-N 1 2 265.307 2.391 20 30 CEEDLO N#CCCC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000592135900 345328515 /nfs/dbraw/zinc/32/85/15/345328515.db2.gz QVJGCIBUTIBULT-UHFFFAOYSA-N 1 2 296.378 2.178 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000592152783 345330977 /nfs/dbraw/zinc/33/09/77/345330977.db2.gz CYMKZCGAFXKBKK-ZDUSSCGKSA-N 1 2 268.719 2.330 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000592152783 345330978 /nfs/dbraw/zinc/33/09/78/345330978.db2.gz CYMKZCGAFXKBKK-ZDUSSCGKSA-N 1 2 268.719 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C[C@H](C#N)N(CCc1[nH+]c2ccccc2n1C)C1CC1 ZINC000595713754 345858012 /nfs/dbraw/zinc/85/80/12/345858012.db2.gz WAVWDQKJJSTLFM-GFCCVEGCSA-N 1 2 268.364 2.492 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595613902 345827791 /nfs/dbraw/zinc/82/77/91/345827791.db2.gz FQUPKQWJRSCSTM-LBPRGKRZSA-N 1 2 282.347 2.461 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595613902 345827796 /nfs/dbraw/zinc/82/77/96/345827796.db2.gz FQUPKQWJRSCSTM-LBPRGKRZSA-N 1 2 282.347 2.461 20 30 CEEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595623672 345831037 /nfs/dbraw/zinc/83/10/37/345831037.db2.gz WVSWHSJJNKFVAF-NEPJUHHUSA-N 1 2 260.341 2.177 20 30 CEEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595623672 345831040 /nfs/dbraw/zinc/83/10/40/345831040.db2.gz WVSWHSJJNKFVAF-NEPJUHHUSA-N 1 2 260.341 2.177 20 30 CEEDLO C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1[nH+]ccn1C ZINC000595628701 345832475 /nfs/dbraw/zinc/83/24/75/345832475.db2.gz 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/nfs/dbraw/zinc/90/08/70/345900870.db2.gz UIDBESYQCNPZBJ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887009 345906392 /nfs/dbraw/zinc/90/63/92/345906392.db2.gz QRIPYROYPZXWSF-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887009 345906395 /nfs/dbraw/zinc/90/63/95/345906395.db2.gz QRIPYROYPZXWSF-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)C[N@@H+]1C1CC1 ZINC000596157002 345955329 /nfs/dbraw/zinc/95/53/29/345955329.db2.gz WBNAZRUWUAUQGU-JGVFFNPUSA-N 1 2 282.800 2.127 20 30 CEEDLO C[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)C[N@H+]1C1CC1 ZINC000596157002 345955333 /nfs/dbraw/zinc/95/53/33/345955333.db2.gz WBNAZRUWUAUQGU-JGVFFNPUSA-N 1 2 282.800 2.127 20 30 CEEDLO CCc1nc(C#N)cc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000596068194 345932074 /nfs/dbraw/zinc/93/20/74/345932074.db2.gz FQANRNZIABJBNZ-UHFFFAOYSA-N 1 2 294.362 2.071 20 30 CEEDLO C=CCCSCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000596413716 346018476 /nfs/dbraw/zinc/01/84/76/346018476.db2.gz TWXDPCBIEVKHTO-UHFFFAOYSA-N 1 2 295.456 2.204 20 30 CEEDLO C=CCCSCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000596413716 346018479 /nfs/dbraw/zinc/01/84/79/346018479.db2.gz TWXDPCBIEVKHTO-UHFFFAOYSA-N 1 2 295.456 2.204 20 30 CEEDLO Cc1cc(N[C@@H]2COc3cc(F)ccc3C2)c(C#N)c[nH+]1 ZINC000596479611 346034065 /nfs/dbraw/zinc/03/40/65/346034065.db2.gz UBKIYLBOKTUFSO-AWEZNQCLSA-N 1 2 283.306 2.238 20 30 CEEDLO Cc1cc(NCc2c(C3CCC3)cnn2C)c(C#N)c[nH+]1 ZINC000596504747 346041559 /nfs/dbraw/zinc/04/15/59/346041559.db2.gz WBCZQPOLCKUTGA-UHFFFAOYSA-N 1 2 281.363 2.297 20 30 CEEDLO C=CCCSCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000596815592 346092751 /nfs/dbraw/zinc/09/27/51/346092751.db2.gz CIWFAMSHVNXGKH-UHFFFAOYSA-N 1 2 265.382 2.243 20 30 CEEDLO C[C@@H](CC#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000597312228 346170048 /nfs/dbraw/zinc/17/00/48/346170048.db2.gz LAGAVYXCCKGQTL-AWEZNQCLSA-N 1 2 296.374 2.440 20 30 CEEDLO C[C@@H](CC#N)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000597310941 346170052 /nfs/dbraw/zinc/17/00/52/346170052.db2.gz RVWOITOABZTPBX-ZFWWWQNUSA-N 1 2 296.374 2.370 20 30 CEEDLO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000597228269 346155503 /nfs/dbraw/zinc/15/55/03/346155503.db2.gz CSBPNISLFNLWGH-MRXNPFEDSA-N 1 2 281.363 2.218 20 30 CEEDLO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000597228269 346155505 /nfs/dbraw/zinc/15/55/05/346155505.db2.gz CSBPNISLFNLWGH-MRXNPFEDSA-N 1 2 281.363 2.218 20 30 CEEDLO C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1[nH]cc[nH+]1 ZINC000597685097 346215142 /nfs/dbraw/zinc/21/51/42/346215142.db2.gz QQPVHNAYMWRKLD-OCCSQVGLSA-N 1 2 282.347 2.359 20 30 CEEDLO N#CCc1cccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000597751418 346225985 /nfs/dbraw/zinc/22/59/85/346225985.db2.gz MRXOBYGJMLMPGS-GFCCVEGCSA-N 1 2 280.331 2.219 20 30 CEEDLO N#CCc1cccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000597751418 346225987 /nfs/dbraw/zinc/22/59/87/346225987.db2.gz MRXOBYGJMLMPGS-GFCCVEGCSA-N 1 2 280.331 2.219 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC(CC#N)C1 ZINC000598022783 346268553 /nfs/dbraw/zinc/26/85/53/346268553.db2.gz JSCRFTPNCBJLLU-UHFFFAOYSA-N 1 2 282.347 2.107 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@](C)(C#N)C3)ccn12 ZINC000598418657 346353144 /nfs/dbraw/zinc/35/31/44/346353144.db2.gz BVUPHVKROLMZIC-HNNXBMFYSA-N 1 2 268.320 2.019 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000598465125 346360857 /nfs/dbraw/zinc/36/08/57/346360857.db2.gz PGFSAKLZCZRPNY-BYCMXARLSA-N 1 2 294.358 2.273 20 30 CEEDLO C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1[nH+]ccn1C ZINC000598463776 346361157 /nfs/dbraw/zinc/36/11/57/346361157.db2.gz BYRBXUDDEWQXRC-IAQYHMDHSA-N 1 2 272.352 2.071 20 30 CEEDLO CC(C)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000598612093 346384106 /nfs/dbraw/zinc/38/41/06/346384106.db2.gz LFXCOTSSKIHDGS-STQMWFEESA-N 1 2 298.427 2.243 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000598622641 346386924 /nfs/dbraw/zinc/38/69/24/346386924.db2.gz KWCYLNZUYBBVHU-CQSZACIVSA-N 1 2 269.348 2.175 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000598622641 346386927 /nfs/dbraw/zinc/38/69/27/346386927.db2.gz KWCYLNZUYBBVHU-CQSZACIVSA-N 1 2 269.348 2.175 20 30 CEEDLO CCOc1ncccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602594664 347092639 /nfs/dbraw/zinc/09/26/39/347092639.db2.gz ZOWMSFYPNXWZLP-UHFFFAOYSA-N 1 2 268.320 2.037 20 30 CEEDLO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2CC(F)F)cn1 ZINC000599134119 346465029 /nfs/dbraw/zinc/46/50/29/346465029.db2.gz PJNLSAAMXJWVGG-LBPRGKRZSA-N 1 2 266.295 2.095 20 30 CEEDLO N#Cc1ccc(NC[C@@H]2CCC[N@@H+]2CC(F)F)cn1 ZINC000599134119 346465031 /nfs/dbraw/zinc/46/50/31/346465031.db2.gz PJNLSAAMXJWVGG-LBPRGKRZSA-N 1 2 266.295 2.095 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1C#N ZINC000599386743 346511643 /nfs/dbraw/zinc/51/16/43/346511643.db2.gz WVBQSBJQJPKGCO-BUXKBTBVSA-N 1 2 276.405 2.067 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1C#N ZINC000599386743 346511647 /nfs/dbraw/zinc/51/16/47/346511647.db2.gz WVBQSBJQJPKGCO-BUXKBTBVSA-N 1 2 276.405 2.067 20 30 CEEDLO N#Cc1cc(Cl)ccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000599421970 346516367 /nfs/dbraw/zinc/51/63/67/346516367.db2.gz KKVNWZSHURTZJZ-UHFFFAOYSA-N 1 2 272.739 2.493 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599305933 346495404 /nfs/dbraw/zinc/49/54/04/346495404.db2.gz CUOBNKXGOVKJTR-UHFFFAOYSA-N 1 2 258.321 2.004 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599305933 346495405 /nfs/dbraw/zinc/49/54/05/346495405.db2.gz CUOBNKXGOVKJTR-UHFFFAOYSA-N 1 2 258.321 2.004 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602612722 347102577 /nfs/dbraw/zinc/10/25/77/347102577.db2.gz PXKPAMSFHRPLRZ-NSHDSACASA-N 1 2 292.383 2.157 20 30 CEEDLO Cc1nnc([C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)[nH]1 ZINC000599677935 346562363 /nfs/dbraw/zinc/56/23/63/346562363.db2.gz NEDCPFHOEFQAID-NSHDSACASA-N 1 2 281.363 2.299 20 30 CEEDLO Cc1nnc([C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)[nH]1 ZINC000599677935 346562366 /nfs/dbraw/zinc/56/23/66/346562366.db2.gz NEDCPFHOEFQAID-NSHDSACASA-N 1 2 281.363 2.299 20 30 CEEDLO C=CC[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000599529793 346533023 /nfs/dbraw/zinc/53/30/23/346533023.db2.gz PUMZGRHGFGXYNE-LBPRGKRZSA-N 1 2 277.368 2.293 20 30 CEEDLO C=CC[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000599529793 346533026 /nfs/dbraw/zinc/53/30/26/346533026.db2.gz PUMZGRHGFGXYNE-LBPRGKRZSA-N 1 2 277.368 2.293 20 30 CEEDLO CCOC(=O)c1cccc(C[N@H+](CC)C[C@@H](C)C#N)n1 ZINC000600111319 346599197 /nfs/dbraw/zinc/59/91/97/346599197.db2.gz BAYIDZNTGXJXJQ-LBPRGKRZSA-N 1 2 275.352 2.240 20 30 CEEDLO CCOC(=O)c1cccc(C[N@@H+](CC)C[C@@H](C)C#N)n1 ZINC000600111319 346599199 /nfs/dbraw/zinc/59/91/99/346599199.db2.gz BAYIDZNTGXJXJQ-LBPRGKRZSA-N 1 2 275.352 2.240 20 30 CEEDLO Cc1cc(N2CCO[C@H](C(F)F)CC2)c(C#N)c[nH+]1 ZINC000601231688 346796822 /nfs/dbraw/zinc/79/68/22/346796822.db2.gz NUJRRVOMXHPIDI-LBPRGKRZSA-N 1 2 267.279 2.122 20 30 CEEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)CCC#N)c1cccs1 ZINC000602635202 347115507 /nfs/dbraw/zinc/11/55/07/347115507.db2.gz QBSBLDCBVVFEMI-CMPLNLGQSA-N 1 2 266.366 2.492 20 30 CEEDLO Cc1ccncc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602638648 347118083 /nfs/dbraw/zinc/11/80/83/347118083.db2.gz SMXAOYZPXGLKBA-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO Cc1ccncc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602638648 347118088 /nfs/dbraw/zinc/11/80/88/347118088.db2.gz SMXAOYZPXGLKBA-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO C=CCC[C@H](N[C@@H](c1[nH+]ccn1C)C1CC1)C(=O)OCC ZINC000602680854 347141781 /nfs/dbraw/zinc/14/17/81/347141781.db2.gz LYTLQSSTVFUPDA-UONOGXRCSA-N 1 2 291.395 2.359 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CC2(CCC2)O1 ZINC000602702003 347157221 /nfs/dbraw/zinc/15/72/21/347157221.db2.gz HGTBRTPFJSNBJU-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CC2(CCC2)O1 ZINC000602702003 347157225 /nfs/dbraw/zinc/15/72/25/347157225.db2.gz HGTBRTPFJSNBJU-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO COC(=O)c1csc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000602718649 347168253 /nfs/dbraw/zinc/16/82/53/347168253.db2.gz PJRUSXKARFCSRL-ZDUSSCGKSA-N 1 2 264.350 2.270 20 30 CEEDLO COC(=O)c1csc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000602718649 347168256 /nfs/dbraw/zinc/16/82/56/347168256.db2.gz PJRUSXKARFCSRL-ZDUSSCGKSA-N 1 2 264.350 2.270 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccnc(OC)c1)C(=O)OC ZINC000602733025 347176894 /nfs/dbraw/zinc/17/68/94/347176894.db2.gz GYHFHEQKGCGQOF-OCCSQVGLSA-N 1 2 292.379 2.119 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)C(=O)OC ZINC000602738571 347180385 /nfs/dbraw/zinc/18/03/85/347180385.db2.gz MQBQQOJQXDMCMR-UTUOFQBUSA-N 1 2 257.399 2.368 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930101 347250640 /nfs/dbraw/zinc/25/06/40/347250640.db2.gz GJDDLPLEZXGFIZ-YPMHNXCESA-N 1 2 289.335 2.059 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930101 347250641 /nfs/dbraw/zinc/25/06/41/347250641.db2.gz GJDDLPLEZXGFIZ-YPMHNXCESA-N 1 2 289.335 2.059 20 30 CEEDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849959 347224124 /nfs/dbraw/zinc/22/41/24/347224124.db2.gz SDXLJGMDEBOWCJ-WOPDTQHZSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849959 347224128 /nfs/dbraw/zinc/22/41/28/347224128.db2.gz SDXLJGMDEBOWCJ-WOPDTQHZSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000602859666 347227055 /nfs/dbraw/zinc/22/70/55/347227055.db2.gz AAVLMTLELQUVSQ-OLZOCXBDSA-N 1 2 298.390 2.107 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000602860291 347228399 /nfs/dbraw/zinc/22/83/99/347228399.db2.gz CKPLARHHDQBQMB-QWRGUYRKSA-N 1 2 279.771 2.236 20 30 CEEDLO CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C)CC#N ZINC000602860437 347228468 /nfs/dbraw/zinc/22/84/68/347228468.db2.gz BSXHRXWAYVFCAK-CQSZACIVSA-N 1 2 273.380 2.315 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000602861978 347229153 /nfs/dbraw/zinc/22/91/53/347229153.db2.gz KAHAPYOEEMLTCJ-MOKVOYLWSA-N 1 2 277.412 2.448 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1c(F)cccc1F ZINC000602861728 347229182 /nfs/dbraw/zinc/22/91/82/347229182.db2.gz HZOKSKSJVQNFJZ-DTWKUNHWSA-N 1 2 267.279 2.184 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000602862794 347229799 /nfs/dbraw/zinc/22/97/99/347229799.db2.gz KBFWDBDUDMIOND-MCIONIFRSA-N 1 2 273.380 2.187 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000602867503 347230922 /nfs/dbraw/zinc/23/09/22/347230922.db2.gz CWSIVFHFQWAKOC-LRDDRELGSA-N 1 2 271.364 2.146 20 30 CEEDLO Cc1cc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(C)c[nH+]1 ZINC000602921115 347247788 /nfs/dbraw/zinc/24/77/88/347247788.db2.gz CZAYNBJSCGJOCV-TZMCWYRMSA-N 1 2 272.352 2.276 20 30 CEEDLO CC1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602976088 347262033 /nfs/dbraw/zinc/26/20/33/347262033.db2.gz KRJCDLLKYCVWKY-HXSCFSKGSA-N 1 2 277.412 2.305 20 30 CEEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602976088 347262036 /nfs/dbraw/zinc/26/20/36/347262036.db2.gz KRJCDLLKYCVWKY-HXSCFSKGSA-N 1 2 277.412 2.305 20 30 CEEDLO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978961 347263130 /nfs/dbraw/zinc/26/31/30/347263130.db2.gz ZHOHOEHJRKJJJS-QWHCGFSZSA-N 1 2 291.420 2.297 20 30 CEEDLO Cc1ccsc1CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978961 347263134 /nfs/dbraw/zinc/26/31/34/347263134.db2.gz ZHOHOEHJRKJJJS-QWHCGFSZSA-N 1 2 291.420 2.297 20 30 CEEDLO Cc1cc(N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)nc[nH+]1 ZINC000603406350 347361445 /nfs/dbraw/zinc/36/14/45/347361445.db2.gz SPHORCFBNGNHBL-MRXNPFEDSA-N 1 2 293.374 2.372 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000603822030 347388794 /nfs/dbraw/zinc/38/87/94/347388794.db2.gz NWBMMQOOLSXZMY-LSDHHAIUSA-N 1 2 286.379 2.450 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000065603392 362840389 /nfs/dbraw/zinc/84/03/89/362840389.db2.gz AQOZHXFZCJQETQ-GFCCVEGCSA-N 1 2 277.368 2.028 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000065603392 362840394 /nfs/dbraw/zinc/84/03/94/362840394.db2.gz AQOZHXFZCJQETQ-GFCCVEGCSA-N 1 2 277.368 2.028 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000609822834 347651587 /nfs/dbraw/zinc/65/15/87/347651587.db2.gz HQROYVXUDMHBMB-ZDUSSCGKSA-N 1 2 283.375 2.173 20 30 CEEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000610032924 347658350 /nfs/dbraw/zinc/65/83/50/347658350.db2.gz WBTYVTINJBOCMM-UHFFFAOYSA-N 1 2 298.327 2.007 20 30 CEEDLO C[C@H](CC#N)NCc1[nH+]ccn1Cc1ccccc1 ZINC000610366525 347676062 /nfs/dbraw/zinc/67/60/62/347676062.db2.gz HWUJHGVXCRSEFG-CYBMUJFWSA-N 1 2 254.337 2.323 20 30 CEEDLO CN(C(=O)CCCn1cc[nH+]c1)c1ccccc1C#N ZINC000611072498 347736203 /nfs/dbraw/zinc/73/62/03/347736203.db2.gz RWYULIBBRHWORL-UHFFFAOYSA-N 1 2 268.320 2.198 20 30 CEEDLO N#CCCN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000611176313 347748056 /nfs/dbraw/zinc/74/80/56/347748056.db2.gz ZIMPGMOUDUZBAC-UHFFFAOYSA-N 1 2 287.794 2.223 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180166 347749350 /nfs/dbraw/zinc/74/93/50/347749350.db2.gz SXQRTOFDGFHSAT-CHWSQXEVSA-N 1 2 294.301 2.359 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180166 347749353 /nfs/dbraw/zinc/74/93/53/347749353.db2.gz SXQRTOFDGFHSAT-CHWSQXEVSA-N 1 2 294.301 2.359 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501995 347786469 /nfs/dbraw/zinc/78/64/69/347786469.db2.gz LMHONGRUHZENDT-RGCMKSIDSA-N 1 2 283.391 2.109 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501995 347786471 /nfs/dbraw/zinc/78/64/71/347786471.db2.gz LMHONGRUHZENDT-RGCMKSIDSA-N 1 2 283.391 2.109 20 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JMPWYPNVKRJZQT-UHFFFAOYSA-N 1 2 262.272 2.458 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000617783806 348791690 /nfs/dbraw/zinc/79/16/90/348791690.db2.gz HJPFONVDQLLQQK-ZDUSSCGKSA-N 1 2 297.362 2.091 20 30 CEEDLO C=CCOCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000618521579 348965037 /nfs/dbraw/zinc/96/50/37/348965037.db2.gz XXGALWCLMGOBCS-UHFFFAOYSA-N 1 2 299.374 2.254 20 30 CEEDLO CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1c[nH+]c[nH]1 ZINC000618935512 349073923 /nfs/dbraw/zinc/07/39/23/349073923.db2.gz YHJPYUXIZNBAEL-UHFFFAOYSA-N 1 2 272.283 2.337 20 30 CEEDLO CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1c[nH]c[nH+]1 ZINC000618935512 349073925 /nfs/dbraw/zinc/07/39/25/349073925.db2.gz YHJPYUXIZNBAEL-UHFFFAOYSA-N 1 2 272.283 2.337 20 30 CEEDLO COc1cc(Cl)ccc1C[NH+]1CCN(CCC#N)CC1 ZINC000619511146 349191065 /nfs/dbraw/zinc/19/10/65/349191065.db2.gz OBTUZHPIVZFDSF-UHFFFAOYSA-N 1 2 293.798 2.380 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000619699610 349220528 /nfs/dbraw/zinc/22/05/28/349220528.db2.gz BIKMNHIQNRDNDS-UKRRQHHQSA-N 1 2 259.349 2.424 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000619717331 349227222 /nfs/dbraw/zinc/22/72/22/349227222.db2.gz AJSGIWSFJGUAQM-HNNXBMFYSA-N 1 2 275.348 2.171 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000619717331 349227223 /nfs/dbraw/zinc/22/72/23/349227223.db2.gz AJSGIWSFJGUAQM-HNNXBMFYSA-N 1 2 275.348 2.171 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)c(F)c1 ZINC000091084450 180094841 /nfs/dbraw/zinc/09/48/41/180094841.db2.gz UPXZBTQBIYUDDQ-UHFFFAOYSA-N 1 2 297.324 2.470 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)c(F)c1 ZINC000091084450 180094842 /nfs/dbraw/zinc/09/48/42/180094842.db2.gz UPXZBTQBIYUDDQ-UHFFFAOYSA-N 1 2 297.324 2.470 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000624087126 350189589 /nfs/dbraw/zinc/18/95/89/350189589.db2.gz IZIJZTJSQUNUSZ-NSHDSACASA-N 1 2 276.384 2.169 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000624087126 350189592 /nfs/dbraw/zinc/18/95/92/350189592.db2.gz IZIJZTJSQUNUSZ-NSHDSACASA-N 1 2 276.384 2.169 20 30 CEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000625214371 350431021 /nfs/dbraw/zinc/43/10/21/350431021.db2.gz DIJOXFYCTLTHRL-GFCCVEGCSA-N 1 2 263.341 2.056 20 30 CEEDLO C=C(C)CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625496494 350514242 /nfs/dbraw/zinc/51/42/42/350514242.db2.gz QRXLHZCPBAIMMV-OAHLLOKOSA-N 1 2 271.368 2.057 20 30 CEEDLO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625496494 350514244 /nfs/dbraw/zinc/51/42/44/350514244.db2.gz QRXLHZCPBAIMMV-OAHLLOKOSA-N 1 2 271.368 2.057 20 30 CEEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000630564637 351787568 /nfs/dbraw/zinc/78/75/68/351787568.db2.gz KTVAYEAHUZLQPV-UHFFFAOYSA-N 1 2 285.391 2.082 20 30 CEEDLO CCn1cc(NCc2c[nH+]c3ccc(C#N)cn23)cn1 ZINC000121948507 187006766 /nfs/dbraw/zinc/00/67/66/187006766.db2.gz WQAKDPFZBQSWIX-UHFFFAOYSA-N 1 2 266.308 2.034 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cccc(OC)c1 ZINC000072579959 363148150 /nfs/dbraw/zinc/14/81/50/363148150.db2.gz AIDHZJNAJUQMCS-UHFFFAOYSA-N 1 2 275.352 2.259 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cccc(OC)c1 ZINC000072579959 363148156 /nfs/dbraw/zinc/14/81/56/363148156.db2.gz AIDHZJNAJUQMCS-UHFFFAOYSA-N 1 2 275.352 2.259 20 30 CEEDLO C=CCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072800304 363166966 /nfs/dbraw/zinc/16/69/66/363166966.db2.gz BSSCOPPZACRVPV-GFCCVEGCSA-N 1 2 250.367 2.187 20 30 CEEDLO C=CCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072800304 363166969 /nfs/dbraw/zinc/16/69/69/363166969.db2.gz BSSCOPPZACRVPV-GFCCVEGCSA-N 1 2 250.367 2.187 20 30 CEEDLO C#CC[NH+](CC#C)C[C@@H](O)c1ccccc1Br ZINC000154744088 188158343 /nfs/dbraw/zinc/15/83/43/188158343.db2.gz OSBALJVGQCWIFU-CQSZACIVSA-N 1 2 292.176 2.051 20 30 CEEDLO C=CC[N@@H+](Cc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000154987940 188174500 /nfs/dbraw/zinc/17/45/00/188174500.db2.gz ICFNBONDCZPGLF-OAHLLOKOSA-N 1 2 293.432 2.479 20 30 CEEDLO C=CC[N@H+](Cc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000154987940 188174502 /nfs/dbraw/zinc/17/45/02/188174502.db2.gz ICFNBONDCZPGLF-OAHLLOKOSA-N 1 2 293.432 2.479 20 30 CEEDLO CCC[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)N(C)C ZINC000156284156 188252958 /nfs/dbraw/zinc/25/29/58/188252958.db2.gz FZTWMYUUMNYSQW-UHFFFAOYSA-N 1 2 292.810 2.492 20 30 CEEDLO CCC[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)N(C)C ZINC000156284156 188252959 /nfs/dbraw/zinc/25/29/59/188252959.db2.gz FZTWMYUUMNYSQW-UHFFFAOYSA-N 1 2 292.810 2.492 20 30 CEEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000157167293 188301053 /nfs/dbraw/zinc/30/10/53/188301053.db2.gz BUSVMTZYIXOIOX-XJKSGUPXSA-N 1 2 293.794 2.163 20 30 CEEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000157167293 188301054 /nfs/dbraw/zinc/30/10/54/188301054.db2.gz BUSVMTZYIXOIOX-XJKSGUPXSA-N 1 2 293.794 2.163 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000158367865 188372833 /nfs/dbraw/zinc/37/28/33/188372833.db2.gz AXNMSVVIUAMZIK-UHFFFAOYSA-N 1 2 280.755 2.242 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000158367865 188372834 /nfs/dbraw/zinc/37/28/34/188372834.db2.gz AXNMSVVIUAMZIK-UHFFFAOYSA-N 1 2 280.755 2.242 20 30 CEEDLO COCCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OC ZINC000132304136 366133770 /nfs/dbraw/zinc/13/37/70/366133770.db2.gz VVKSGDHNNHRTDQ-ZDUSSCGKSA-N 1 2 292.379 2.454 20 30 CEEDLO COCCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OC ZINC000132304136 366133773 /nfs/dbraw/zinc/13/37/73/366133773.db2.gz VVKSGDHNNHRTDQ-ZDUSSCGKSA-N 1 2 292.379 2.454 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000337319109 366141813 /nfs/dbraw/zinc/14/18/13/366141813.db2.gz NOEMPHOHDCDMIL-KGLIPLIRSA-N 1 2 291.395 2.166 20 30 CEEDLO Cc1cccc2[nH+]c(CN(CCC#N)CCC#N)cn21 ZINC000132797401 366171987 /nfs/dbraw/zinc/17/19/87/366171987.db2.gz WUKKOROZXOODBY-UHFFFAOYSA-N 1 2 267.336 2.272 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132827909 366172581 /nfs/dbraw/zinc/17/25/81/366172581.db2.gz 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N#Cc1ccc(C[N@@H+](Cc2c[nH]cn2)C2CC2)cc1 ZINC000180029351 189232939 /nfs/dbraw/zinc/23/29/39/189232939.db2.gz KZQOWUNJAPUFRE-UHFFFAOYSA-N 1 2 252.321 2.446 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000677047501 540975834 /nfs/dbraw/zinc/97/58/34/540975834.db2.gz CMDBFECEDFFMJC-ZDUSSCGKSA-N 1 2 288.391 2.456 20 30 CEEDLO COCC#CC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000677477912 541018427 /nfs/dbraw/zinc/01/84/27/541018427.db2.gz DIVWVNDPWZWLDC-UHFFFAOYSA-N 1 2 288.391 2.132 20 30 CEEDLO COCC#CC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000677477912 541018431 /nfs/dbraw/zinc/01/84/31/541018431.db2.gz DIVWVNDPWZWLDC-UHFFFAOYSA-N 1 2 288.391 2.132 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(C#N)o3)cn21 ZINC000340135143 366780825 /nfs/dbraw/zinc/78/08/25/366780825.db2.gz ZQYVJGMWZDKOGT-UHFFFAOYSA-N 1 2 280.287 2.037 20 30 CEEDLO CC(C)O[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000581605720 366800306 /nfs/dbraw/zinc/80/03/06/366800306.db2.gz VAHCCKDPRIDJLQ-LLVKDONJSA-N 1 2 251.355 2.014 20 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294.358 2.402 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000334734797 364248655 /nfs/dbraw/zinc/24/86/55/364248655.db2.gz HJTMHANIIILEMH-XHDPSFHLSA-N 1 2 297.362 2.115 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773931 364294072 /nfs/dbraw/zinc/29/40/72/364294072.db2.gz CDCLIVDWQFDYLP-VIFPVBQESA-N 1 2 251.261 2.468 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773931 364294079 /nfs/dbraw/zinc/29/40/79/364294079.db2.gz CDCLIVDWQFDYLP-VIFPVBQESA-N 1 2 251.261 2.468 20 30 CEEDLO Cc1cc(C[N@H+]2CC[S@](=O)CC[C@H]2C)ccc1C#N ZINC000335204171 364619287 /nfs/dbraw/zinc/61/92/87/364619287.db2.gz JIOOEKXRFARYNT-BFUOFWGJSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)ccc1C#N ZINC000335204171 364619289 /nfs/dbraw/zinc/61/92/89/364619289.db2.gz JIOOEKXRFARYNT-BFUOFWGJSA-N 1 2 276.405 2.210 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](C)[S@@]1=O ZINC000335204846 364620264 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C=CCNC(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000112586573 364816285 /nfs/dbraw/zinc/81/62/85/364816285.db2.gz JUXBQSZCIQIERH-KEYYUXOJSA-N 1 2 288.391 2.139 20 30 CEEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(C#N)CC1 ZINC000112978126 364861667 /nfs/dbraw/zinc/86/16/67/364861667.db2.gz MUFGXKYHDKFKBR-LLVKDONJSA-N 1 2 283.335 2.428 20 30 CEEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccnc(C#N)n1 ZINC000572134560 299349228 /nfs/dbraw/zinc/34/92/28/299349228.db2.gz BOIIEVKTTKPIRN-UHFFFAOYSA-N 1 2 279.347 2.422 20 30 CEEDLO COCC#CC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425166 541411832 /nfs/dbraw/zinc/41/18/32/541411832.db2.gz QDWNWSGVDMRXSN-LLVKDONJSA-N 1 2 289.310 2.176 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000116938947 365082117 /nfs/dbraw/zinc/08/21/17/365082117.db2.gz YBRSKXDPMWTCBV-CYBMUJFWSA-N 1 2 288.395 2.446 20 30 CEEDLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1(C#N)CCC1 ZINC000117765778 365124278 /nfs/dbraw/zinc/12/42/78/365124278.db2.gz MCURGNPMSCNYEJ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/21/72/42/367217242.db2.gz SYVPVICNXOABRV-NSHDSACASA-N 1 2 275.377 2.017 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602865994 367218291 /nfs/dbraw/zinc/21/82/91/367218291.db2.gz XXQAFHWCMJBQTP-KBPBESRZSA-N 1 2 273.380 2.315 20 30 CEEDLO C=CC[C@@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631345350 367254747 /nfs/dbraw/zinc/25/47/47/367254747.db2.gz YTSAPFBGRSRAOD-CYBMUJFWSA-N 1 2 269.348 2.496 20 30 CEEDLO N#Cc1cccc(CCNC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000341456065 367342003 /nfs/dbraw/zinc/34/20/03/367342003.db2.gz NNFYYEUCEYYNKB-UHFFFAOYSA-N 1 2 290.326 2.178 20 30 CEEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccon1 ZINC000342776302 367528904 /nfs/dbraw/zinc/52/89/04/367528904.db2.gz KGSBBSJRTRGHNN-SNVBAGLBSA-N 1 2 267.292 2.045 20 30 CEEDLO C=CCOCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000172931176 367843471 /nfs/dbraw/zinc/84/34/71/367843471.db2.gz RZYIBMWSPPRMAL-ZDUSSCGKSA-N 1 2 277.368 2.446 20 30 CEEDLO C=C1CC(C)(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000632851750 367952193 /nfs/dbraw/zinc/95/21/93/367952193.db2.gz XPTPPTNZIYCHDD-UHFFFAOYSA-N 1 2 285.391 2.395 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)NCc1[nH+]ccn1C ZINC000633034178 368031633 /nfs/dbraw/zinc/03/16/33/368031633.db2.gz WBNMVMWUWOEYNS-UHFFFAOYSA-N 1 2 264.373 2.212 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345450270 368281007 /nfs/dbraw/zinc/28/10/07/368281007.db2.gz PWBVQGFRLWJHEQ-HIFRSBDPSA-N 1 2 290.363 2.043 20 30 CEEDLO N#Cc1cc(NCCNc2cccc[nH+]2)nc2ccccc12 ZINC000346379836 368656991 /nfs/dbraw/zinc/65/69/91/368656991.db2.gz ZNQUYWFSWFLUNR-UHFFFAOYSA-N 1 2 289.342 2.447 20 30 CEEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000185957290 368893741 /nfs/dbraw/zinc/89/37/41/368893741.db2.gz OFZPJVGWZFKWTI-QGZVFWFLSA-N 1 2 296.374 2.041 20 30 CEEDLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000185957290 368893750 /nfs/dbraw/zinc/89/37/50/368893750.db2.gz OFZPJVGWZFKWTI-QGZVFWFLSA-N 1 2 296.374 2.041 20 30 CEEDLO CCOCCN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186282006 368950721 /nfs/dbraw/zinc/95/07/21/368950721.db2.gz HCRDKHONDUIUCQ-OAHLLOKOSA-N 1 2 287.407 2.273 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000348407872 369035939 /nfs/dbraw/zinc/03/59/39/369035939.db2.gz NIYBSXARRDRMGR-UHFFFAOYSA-N 1 2 285.278 2.031 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1O ZINC000186908941 369067325 /nfs/dbraw/zinc/06/73/25/369067325.db2.gz FAEOSOWKWZYJPL-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1O ZINC000186908941 369067329 /nfs/dbraw/zinc/06/73/29/369067329.db2.gz FAEOSOWKWZYJPL-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO N#CCC[N@@H+](CC(=O)NC1CCCCCC1)CC1CC1 ZINC000348572616 369092791 /nfs/dbraw/zinc/09/27/91/369092791.db2.gz COLVMSOQZKTYFQ-UHFFFAOYSA-N 1 2 277.412 2.451 20 30 CEEDLO N#CCC[N@H+](CC(=O)NC1CCCCCC1)CC1CC1 ZINC000348572616 369092798 /nfs/dbraw/zinc/09/27/98/369092798.db2.gz COLVMSOQZKTYFQ-UHFFFAOYSA-N 1 2 277.412 2.451 20 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ZINC000192239019 369783364 /nfs/dbraw/zinc/78/33/64/369783364.db2.gz HBMNULHONVCVRN-UHFFFAOYSA-N 1 2 287.388 2.214 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193847770 369985443 /nfs/dbraw/zinc/98/54/43/369985443.db2.gz KRWGRRCBPMACLU-STQMWFEESA-N 1 2 257.341 2.033 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193847770 369985447 /nfs/dbraw/zinc/98/54/47/369985447.db2.gz KRWGRRCBPMACLU-STQMWFEESA-N 1 2 257.341 2.033 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000354011916 370177045 /nfs/dbraw/zinc/17/70/45/370177045.db2.gz WWTSNPPETVGUCY-UHFFFAOYSA-N 1 2 264.325 2.438 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000354011916 370177050 /nfs/dbraw/zinc/17/70/50/370177050.db2.gz WWTSNPPETVGUCY-UHFFFAOYSA-N 1 2 264.325 2.438 20 30 CEEDLO CCn1cc[nH+]c1CN(CCOC)Cc1ccc(C#N)cc1 ZINC000195515394 370135773 /nfs/dbraw/zinc/13/57/73/370135773.db2.gz KTYNZZWHENIYRH-UHFFFAOYSA-N 1 2 298.390 2.423 20 30 CEEDLO CCn1ccnc1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000195515394 370135777 /nfs/dbraw/zinc/13/57/77/370135777.db2.gz KTYNZZWHENIYRH-UHFFFAOYSA-N 1 2 298.390 2.423 20 30 CEEDLO CCn1ccnc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000195515394 370135779 /nfs/dbraw/zinc/13/57/79/370135779.db2.gz KTYNZZWHENIYRH-UHFFFAOYSA-N 1 2 298.390 2.423 20 30 CEEDLO COc1cccc(C(F)(F)C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000353972113 370158306 /nfs/dbraw/zinc/15/83/06/370158306.db2.gz MRACHHSRBTVPBB-WDEREUQCSA-N 1 2 281.306 2.464 20 30 CEEDLO CCn1cnnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000224595475 370281737 /nfs/dbraw/zinc/28/17/37/370281737.db2.gz WWMWDPXQABLNAI-LLVKDONJSA-N 1 2 255.325 2.020 20 30 CEEDLO Cc1ccncc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000361423089 371840382 /nfs/dbraw/zinc/84/03/82/371840382.db2.gz AHCKUPZUCGFOLZ-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000361423089 371840390 /nfs/dbraw/zinc/84/03/90/371840390.db2.gz AHCKUPZUCGFOLZ-UHFFFAOYSA-N 1 2 294.358 2.332 20 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2.232 20 30 CEEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000362966507 372596034 /nfs/dbraw/zinc/59/60/34/372596034.db2.gz LUFTXFZHKGYTPK-UHFFFAOYSA-N 1 2 260.337 2.252 20 30 CEEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000362966507 372596040 /nfs/dbraw/zinc/59/60/40/372596040.db2.gz LUFTXFZHKGYTPK-UHFFFAOYSA-N 1 2 260.337 2.252 20 30 CEEDLO N#Cc1ccc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000364345024 372732921 /nfs/dbraw/zinc/73/29/21/372732921.db2.gz ZPMQRGAZZHEWKU-UHFFFAOYSA-N 1 2 282.318 2.401 20 30 CEEDLO C=CCCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365527439 372882621 /nfs/dbraw/zinc/88/26/21/372882621.db2.gz YJPFHRLLJDZHOF-CYBMUJFWSA-N 1 2 261.369 2.482 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000643415028 373112781 /nfs/dbraw/zinc/11/27/81/373112781.db2.gz QZYCXQMUHIBOFY-INIZCTEOSA-N 1 2 256.349 2.394 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000643415028 373112786 /nfs/dbraw/zinc/11/27/86/373112786.db2.gz QZYCXQMUHIBOFY-INIZCTEOSA-N 1 2 256.349 2.394 20 30 CEEDLO N#Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1F ZINC000353579876 220169139 /nfs/dbraw/zinc/16/91/39/220169139.db2.gz VSMAIDOCLIPLRE-UHFFFAOYSA-N 1 2 287.298 2.106 20 30 CEEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000645078959 373841870 /nfs/dbraw/zinc/84/18/70/373841870.db2.gz MGFBXPBBGQEAKW-LBPRGKRZSA-N 1 2 265.357 2.362 20 30 CEEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000645078959 373841881 /nfs/dbraw/zinc/84/18/81/373841881.db2.gz MGFBXPBBGQEAKW-LBPRGKRZSA-N 1 2 265.357 2.362 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1cccc(CC)c1)C1CC1 ZINC000274217729 373843328 /nfs/dbraw/zinc/84/33/28/373843328.db2.gz URMGUSIGLNSTKQ-UHFFFAOYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cccc(CC)c1)C1CC1 ZINC000274217729 373843333 /nfs/dbraw/zinc/84/33/33/373843333.db2.gz URMGUSIGLNSTKQ-UHFFFAOYSA-N 1 2 256.349 2.285 20 30 CEEDLO CC#CCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000274271828 373862786 /nfs/dbraw/zinc/86/27/86/373862786.db2.gz HSFPTYDXAAVPJP-UHFFFAOYSA-N 1 2 255.321 2.144 20 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374960477 /nfs/dbraw/zinc/96/04/77/374960477.db2.gz JKKKZUVSNCHHHJ-UHFFFAOYSA-N 1 2 272.352 2.143 20 30 CEEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2c(F)cccc2F)C1=O ZINC000280951915 375346283 /nfs/dbraw/zinc/34/62/83/375346283.db2.gz GJKDTSYEWHWIGQ-ZWNOBZJWSA-N 1 2 280.318 2.402 20 30 CEEDLO CCCn1ncnc1C[NH+]1CCC(CCC#N)CC1 ZINC000399364764 375362875 /nfs/dbraw/zinc/36/28/75/375362875.db2.gz HTFHALSLGPRXRZ-UHFFFAOYSA-N 1 2 261.373 2.204 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC=C(Br)C1 ZINC000281559046 375386406 /nfs/dbraw/zinc/38/64/06/375386406.db2.gz CWVJRWQXVIZNKX-UHFFFAOYSA-N 1 2 299.212 2.172 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC=C(Br)C1 ZINC000281559046 375386411 /nfs/dbraw/zinc/38/64/11/375386411.db2.gz CWVJRWQXVIZNKX-UHFFFAOYSA-N 1 2 299.212 2.172 20 30 CEEDLO CC(C)Oc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414144051 375797558 /nfs/dbraw/zinc/79/75/58/375797558.db2.gz JJCCAPCEEVMRGB-AWEZNQCLSA-N 1 2 292.379 2.059 20 30 CEEDLO CC(C)Oc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 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/nfs/dbraw/zinc/48/86/52/377488652.db2.gz LKJYLVYEQGTRHO-UHFFFAOYSA-N 1 2 278.359 2.488 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429700991 377520156 /nfs/dbraw/zinc/52/01/56/377520156.db2.gz STGALNVQEYERCX-VYDXJSESSA-N 1 2 284.407 2.452 20 30 CEEDLO Cc1cc[nH+]cc1CCCN(CCC#N)CCC#N ZINC000429855807 377521391 /nfs/dbraw/zinc/52/13/91/377521391.db2.gz VPWCLFUDHFZSQV-UHFFFAOYSA-N 1 2 256.353 2.452 20 30 CEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C#N)CC1 ZINC000430220673 377528680 /nfs/dbraw/zinc/52/86/80/377528680.db2.gz CLCFDUGJYPWARZ-UHFFFAOYSA-N 1 2 275.308 2.339 20 30 CEEDLO N#CCCC[C@@H]([NH2+]Cc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000433020806 377777618 /nfs/dbraw/zinc/77/76/18/377777618.db2.gz DPTPTQYQELXGLL-GFCCVEGCSA-N 1 2 271.324 2.035 20 30 CEEDLO CCCCN(CC)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433290722 377784189 /nfs/dbraw/zinc/78/41/89/377784189.db2.gz UFJBYJQDEFUCGD-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO CCCCN(CC)C(=O)C[N@@H+](C)CC(C)(C)C#N 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N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](F)C3)n2c1 ZINC000520416516 379466448 /nfs/dbraw/zinc/46/64/48/379466448.db2.gz HCEXHUIOEFTGMD-LBPRGKRZSA-N 1 2 258.300 2.140 20 30 CEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](F)C3)n2c1 ZINC000520416516 379466454 /nfs/dbraw/zinc/46/64/54/379466454.db2.gz HCEXHUIOEFTGMD-LBPRGKRZSA-N 1 2 258.300 2.140 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN3CCC[C@H](F)C3)n2c1 ZINC000520416516 379466463 /nfs/dbraw/zinc/46/64/63/379466463.db2.gz HCEXHUIOEFTGMD-LBPRGKRZSA-N 1 2 258.300 2.140 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000266908152 190289348 /nfs/dbraw/zinc/28/93/48/190289348.db2.gz IGTKPJYBNQLYLU-UHFFFAOYSA-N 1 2 275.739 2.105 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000266908152 190289349 /nfs/dbraw/zinc/28/93/49/190289349.db2.gz IGTKPJYBNQLYLU-UHFFFAOYSA-N 1 2 275.739 2.105 20 30 CEEDLO Cc1ccccc1-n1nccc1C[NH2+]C[C@H](C)C#N ZINC000525993693 379690333 /nfs/dbraw/zinc/69/03/33/379690333.db2.gz NLMQULQTWNACNC-GFCCVEGCSA-N 1 2 254.337 2.430 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000267219525 190312869 /nfs/dbraw/zinc/31/28/69/190312869.db2.gz ALJJSEIOANMSHF-CQSZACIVSA-N 1 2 290.407 2.450 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000267219525 190312870 /nfs/dbraw/zinc/31/28/70/190312870.db2.gz ALJJSEIOANMSHF-CQSZACIVSA-N 1 2 290.407 2.450 20 30 CEEDLO COC(=O)[C@@]1(F)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000267706882 190348692 /nfs/dbraw/zinc/34/86/92/190348692.db2.gz VKYAMCRPHLXHAV-OAHLLOKOSA-N 1 2 295.741 2.279 20 30 CEEDLO COC(=O)[C@@]1(F)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000267706882 190348693 /nfs/dbraw/zinc/34/86/93/190348693.db2.gz VKYAMCRPHLXHAV-OAHLLOKOSA-N 1 2 295.741 2.279 20 30 CEEDLO N#CCC[N@@H+](Cc1cc(CO)ccc1F)CC1CC1 ZINC000528397517 379957984 /nfs/dbraw/zinc/95/79/84/379957984.db2.gz DCJKNKNPUGPNPN-UHFFFAOYSA-N 1 2 262.328 2.444 20 30 CEEDLO N#CCC[N@H+](Cc1cc(CO)ccc1F)CC1CC1 ZINC000528397517 379957991 /nfs/dbraw/zinc/95/79/91/379957991.db2.gz DCJKNKNPUGPNPN-UHFFFAOYSA-N 1 2 262.328 2.444 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000539841669 380248436 /nfs/dbraw/zinc/24/84/36/380248436.db2.gz YHELRXKMOLNKPS-LLVKDONJSA-N 1 2 273.315 2.140 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000539841669 380248442 /nfs/dbraw/zinc/24/84/42/380248442.db2.gz YHELRXKMOLNKPS-LLVKDONJSA-N 1 2 273.315 2.140 20 30 CEEDLO Cc1cc(C(=O)C[NH+]2CCC(C)(C#N)CC2)c(C)n1C ZINC000540952463 380263577 /nfs/dbraw/zinc/26/35/77/380263577.db2.gz TVZNXVGAOFBJHJ-UHFFFAOYSA-N 1 2 273.380 2.450 20 30 CEEDLO COc1cc(C#N)ccc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000547415793 380440574 /nfs/dbraw/zinc/44/05/74/380440574.db2.gz GIASVXDDWIWUPX-UHFFFAOYSA-N 1 2 292.298 2.467 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2CF)c1C#N ZINC000555696977 380844647 /nfs/dbraw/zinc/84/46/47/380844647.db2.gz IMUQDRVOPCTEMH-GFCCVEGCSA-N 1 2 276.311 2.279 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2CF)c1C#N ZINC000555696977 380844653 /nfs/dbraw/zinc/84/46/53/380844653.db2.gz IMUQDRVOPCTEMH-GFCCVEGCSA-N 1 2 276.311 2.279 20 30 CEEDLO CC(C)n1cc(C[N@H+](C)Cc2ccc(C#N)cc2)nn1 ZINC000288951027 197199167 /nfs/dbraw/zinc/19/91/67/197199167.db2.gz ADJLTEWOSJWBHB-UHFFFAOYSA-N 1 2 269.352 2.363 20 30 CEEDLO CC(C)n1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)nn1 ZINC000288951027 197199169 /nfs/dbraw/zinc/19/91/69/197199169.db2.gz ADJLTEWOSJWBHB-UHFFFAOYSA-N 1 2 269.352 2.363 20 30 CEEDLO COCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000352096530 533235193 /nfs/dbraw/zinc/23/51/93/533235193.db2.gz HIGJDHYUEGQINN-ZDUSSCGKSA-N 1 2 292.379 2.312 20 30 CEEDLO COCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000352096530 533235196 /nfs/dbraw/zinc/23/51/96/533235196.db2.gz HIGJDHYUEGQINN-ZDUSSCGKSA-N 1 2 292.379 2.312 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000157153781 533269089 /nfs/dbraw/zinc/26/90/89/533269089.db2.gz AWVKIJLEFGNSKS-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000157153781 533269092 /nfs/dbraw/zinc/26/90/92/533269092.db2.gz AWVKIJLEFGNSKS-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO Cc1cc(C[NH+]2CC(O)(CC#N)C2)cc2cccnc12 ZINC000354981531 533590887 /nfs/dbraw/zinc/59/08/87/533590887.db2.gz OMMTVCFNDPDXGY-UHFFFAOYSA-N 1 2 267.332 2.004 20 30 CEEDLO Cc1cc(Nc2ccc(C#N)nn2)ccc1[NH+](C)C ZINC000301940008 394468284 /nfs/dbraw/zinc/46/82/84/394468284.db2.gz TZVJROOBWPTFEG-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO CCCN(CC#N)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000355615791 394478111 /nfs/dbraw/zinc/47/81/11/394478111.db2.gz AREOHLATEFMSHM-UHFFFAOYSA-N 1 2 284.363 2.497 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@@H](C)CC#N)C2 ZINC000355667942 394495049 /nfs/dbraw/zinc/49/50/49/394495049.db2.gz FDQJYIDSTQYNLM-RYUDHWBXSA-N 1 2 288.395 2.399 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H](C)CC#N)CC2 ZINC000355667942 394495052 /nfs/dbraw/zinc/49/50/52/394495052.db2.gz FDQJYIDSTQYNLM-RYUDHWBXSA-N 1 2 288.395 2.399 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)[C@H](C)CC#N)C2 ZINC000355667929 394495205 /nfs/dbraw/zinc/49/52/05/394495205.db2.gz FDQJYIDSTQYNLM-NEPJUHHUSA-N 1 2 288.395 2.399 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)[C@H](C)CC#N)CC2 ZINC000355667929 394495209 /nfs/dbraw/zinc/49/52/09/394495209.db2.gz FDQJYIDSTQYNLM-NEPJUHHUSA-N 1 2 288.395 2.399 20 30 CEEDLO C=CCCC[C@@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413229647 394508479 /nfs/dbraw/zinc/50/84/79/394508479.db2.gz RJKGXZDZIPSVBW-NEPJUHHUSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CCCC[C@@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413229647 394508482 /nfs/dbraw/zinc/50/84/82/394508482.db2.gz RJKGXZDZIPSVBW-NEPJUHHUSA-N 1 2 264.373 2.426 20 30 CEEDLO CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)O1 ZINC000328958237 394557767 /nfs/dbraw/zinc/55/77/67/394557767.db2.gz POXMJUJVEHBACQ-OPQQBVKSSA-N 1 2 263.341 2.181 20 30 CEEDLO CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)O1 ZINC000328958237 394557770 /nfs/dbraw/zinc/55/77/70/394557770.db2.gz POXMJUJVEHBACQ-OPQQBVKSSA-N 1 2 263.341 2.181 20 30 CEEDLO Cc1ccc(NC(=O)N2CCOCC3(CC3)C2)c(C)[nH+]1 ZINC000329445603 394564267 /nfs/dbraw/zinc/56/42/67/394564267.db2.gz LAGRZPCOADBPEX-UHFFFAOYSA-N 1 2 275.352 2.356 20 30 CEEDLO Cc1ccc(NC(=O)[C@H]2CCCCS2(=O)=O)c(C)[nH+]1 ZINC000329559504 394572234 /nfs/dbraw/zinc/57/22/34/394572234.db2.gz FOQOFVZULGVOBB-GFCCVEGCSA-N 1 2 282.365 2.254 20 30 CEEDLO Cn1c[nH+]cc1Cc1noc(C2(C#N)CCCCC2)n1 ZINC000329605712 394576452 /nfs/dbraw/zinc/57/64/52/394576452.db2.gz MFJKMKVGVDLGGA-UHFFFAOYSA-N 1 2 271.324 2.119 20 30 CEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@]12CCOC2 ZINC000329605716 394576510 /nfs/dbraw/zinc/57/65/10/394576510.db2.gz MFKJUMJXSIIRKZ-WFASDCNBSA-N 1 2 275.352 2.103 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)CCC1CCOCC1 ZINC000329602974 394576798 /nfs/dbraw/zinc/57/67/98/394576798.db2.gz GBONYGDSLSVMAM-UHFFFAOYSA-N 1 2 251.330 2.083 20 30 CEEDLO N#Cc1cnc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000328622895 394553517 /nfs/dbraw/zinc/55/35/17/394553517.db2.gz ITDXVPVNXSZXEH-AWEZNQCLSA-N 1 2 294.362 2.292 20 30 CEEDLO CC(C)(C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000266131738 394659878 /nfs/dbraw/zinc/65/98/78/394659878.db2.gz ZDYKYVDOMXNBGS-UHFFFAOYSA-N 1 2 282.347 2.313 20 30 CEEDLO Cc1nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)oc1C ZINC000266200412 394660461 /nfs/dbraw/zinc/66/04/61/394660461.db2.gz LBKHRCUQUKQXST-NSHDSACASA-N 1 2 269.345 2.141 20 30 CEEDLO Cc1noc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000266340539 394664369 /nfs/dbraw/zinc/66/43/69/394664369.db2.gz VNKMXDNUBGOEHJ-UHFFFAOYSA-N 1 2 280.715 2.063 20 30 CEEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329951591 394596881 /nfs/dbraw/zinc/59/68/81/394596881.db2.gz MNICHFPRNDAZAS-RJZRQDKASA-N 1 2 296.411 2.010 20 30 CEEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329951591 394596885 /nfs/dbraw/zinc/59/68/85/394596885.db2.gz MNICHFPRNDAZAS-RJZRQDKASA-N 1 2 296.411 2.010 20 30 CEEDLO CC(C)(C)c1nnsc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000330074766 394598875 /nfs/dbraw/zinc/59/88/75/394598875.db2.gz FWNPAQXGBIHYGO-UHFFFAOYSA-N 1 2 294.424 2.402 20 30 CEEDLO CC(C)(C)c1nnsc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000330074766 394598878 /nfs/dbraw/zinc/59/88/78/394598878.db2.gz FWNPAQXGBIHYGO-UHFFFAOYSA-N 1 2 294.424 2.402 20 30 CEEDLO CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000330156965 394599669 /nfs/dbraw/zinc/59/96/69/394599669.db2.gz YZRYTQIDZMGGMV-LBPRGKRZSA-N 1 2 276.384 2.376 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)C ZINC000330416433 394607057 /nfs/dbraw/zinc/60/70/57/394607057.db2.gz OHHCRUXGCAVYHE-LLVKDONJSA-N 1 2 252.362 2.164 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N(C)CC(C)(C)C ZINC000330416433 394607059 /nfs/dbraw/zinc/60/70/59/394607059.db2.gz OHHCRUXGCAVYHE-LLVKDONJSA-N 1 2 252.362 2.164 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000330416190 394607206 /nfs/dbraw/zinc/60/72/06/394607206.db2.gz DHSMBSZSNOFNSK-WOPDTQHZSA-N 1 2 278.356 2.291 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000330416190 394607208 /nfs/dbraw/zinc/60/72/08/394607208.db2.gz DHSMBSZSNOFNSK-WOPDTQHZSA-N 1 2 278.356 2.291 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000330416188 394607384 /nfs/dbraw/zinc/60/73/84/394607384.db2.gz DHSMBSZSNOFNSK-IJLUTSLNSA-N 1 2 278.356 2.291 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000330416188 394607385 /nfs/dbraw/zinc/60/73/85/394607385.db2.gz DHSMBSZSNOFNSK-IJLUTSLNSA-N 1 2 278.356 2.291 20 30 CEEDLO COC(=O)C1(NC(=O)c2c[nH+]c(C)[nH]2)CCC(C)CC1 ZINC000330463382 394613105 /nfs/dbraw/zinc/61/31/05/394613105.db2.gz UOFFSDHUQLDJIV-UHFFFAOYSA-N 1 2 279.340 2.145 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCc2noc(C(C)C)n2)ccc1F ZINC000109062355 394732987 /nfs/dbraw/zinc/73/29/87/394732987.db2.gz JIFSTVLPVRFIST-UHFFFAOYSA-N 1 2 292.314 2.478 20 30 CEEDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)[nH]1 ZINC000270748214 394739198 /nfs/dbraw/zinc/73/91/98/394739198.db2.gz XDINCDACNHXWBQ-JTQLQIEISA-N 1 2 285.351 2.098 20 30 CEEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC#N ZINC000267059482 394672926 /nfs/dbraw/zinc/67/29/26/394672926.db2.gz SOSNDRKFTRQKFH-DIFFPNOSSA-N 1 2 250.367 2.330 20 30 CEEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC#N ZINC000267059482 394672930 /nfs/dbraw/zinc/67/29/30/394672930.db2.gz SOSNDRKFTRQKFH-DIFFPNOSSA-N 1 2 250.367 2.330 20 30 CEEDLO COCCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000271112563 394747213 /nfs/dbraw/zinc/74/72/13/394747213.db2.gz CDUCTRIAIAYUKA-CYBMUJFWSA-N 1 2 262.353 2.303 20 30 CEEDLO COCCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000271112563 394747217 /nfs/dbraw/zinc/74/72/17/394747217.db2.gz CDUCTRIAIAYUKA-CYBMUJFWSA-N 1 2 262.353 2.303 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000271110321 394747705 /nfs/dbraw/zinc/74/77/05/394747705.db2.gz AZNXPQMKECPRBG-LLVKDONJSA-N 1 2 298.346 2.397 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000271110321 394747707 /nfs/dbraw/zinc/74/77/07/394747707.db2.gz AZNXPQMKECPRBG-LLVKDONJSA-N 1 2 298.346 2.397 20 30 CEEDLO Oc1cccc(/C=N/[C@@H]2CCN(c3cccc[nH+]3)C2)c1O ZINC000269982647 394725114 /nfs/dbraw/zinc/72/51/14/394725114.db2.gz PCJSKQRMNNNDHN-HVOBPNNYSA-N 1 2 283.331 2.191 20 30 CEEDLO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000274058140 394791039 /nfs/dbraw/zinc/79/10/39/394791039.db2.gz CZPAIEMTYMJKFP-UHFFFAOYSA-N 1 2 290.319 2.210 20 30 CEEDLO C#CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000274058140 394791043 /nfs/dbraw/zinc/79/10/43/394791043.db2.gz CZPAIEMTYMJKFP-UHFFFAOYSA-N 1 2 290.319 2.210 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000362185569 394848998 /nfs/dbraw/zinc/84/89/98/394848998.db2.gz LYBVXXXERFINGR-UHFFFAOYSA-N 1 2 278.400 2.010 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000362185569 394849000 /nfs/dbraw/zinc/84/90/00/394849000.db2.gz LYBVXXXERFINGR-UHFFFAOYSA-N 1 2 278.400 2.010 20 30 CEEDLO CN(CC#N)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338193546 394908490 /nfs/dbraw/zinc/90/84/90/394908490.db2.gz MARXVODUWIJAJD-UHFFFAOYSA-N 1 2 267.288 2.469 20 30 CEEDLO C=CCOCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000339031940 394937359 /nfs/dbraw/zinc/93/73/59/394937359.db2.gz TWLLFTTYWGBNEC-UHFFFAOYSA-N 1 2 284.306 2.038 20 30 CEEDLO C=CCOCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000339031940 394937363 /nfs/dbraw/zinc/93/73/63/394937363.db2.gz TWLLFTTYWGBNEC-UHFFFAOYSA-N 1 2 284.306 2.038 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057408 394956470 /nfs/dbraw/zinc/95/64/70/394956470.db2.gz JILYBMBIKARSPY-HNNXBMFYSA-N 1 2 293.374 2.382 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](CC)C(=O)OC ZINC000285115568 394953108 /nfs/dbraw/zinc/95/31/08/394953108.db2.gz MWKXACJTUAJMPI-HUUCEWRRSA-N 1 2 259.349 2.162 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000155222337 395026887 /nfs/dbraw/zinc/02/68/87/395026887.db2.gz AXIZLFOUJWZQBI-CZUORRHYSA-N 1 2 296.374 2.145 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000155222337 395026891 /nfs/dbraw/zinc/02/68/91/395026891.db2.gz AXIZLFOUJWZQBI-CZUORRHYSA-N 1 2 296.374 2.145 20 30 CEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000368126288 394979377 /nfs/dbraw/zinc/97/93/77/394979377.db2.gz RRVGZGIQXYPYHZ-HNNXBMFYSA-N 1 2 279.343 2.297 20 30 CEEDLO Cc1cc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(C#N)c[nH+]1 ZINC000425235290 395053452 /nfs/dbraw/zinc/05/34/52/395053452.db2.gz IIWRRKLGYYOZDG-USXIJHARSA-N 1 2 261.328 2.434 20 30 CEEDLO C#C[C@@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000373449038 395061028 /nfs/dbraw/zinc/06/10/28/395061028.db2.gz SGONLOFBLHJWAT-UKRRQHHQSA-N 1 2 293.370 2.250 20 30 CEEDLO Cc1cc(C(=O)NC2CC[NH+](CCC#N)CC2)c(C)o1 ZINC000373981903 395068795 /nfs/dbraw/zinc/06/87/95/395068795.db2.gz GOWKJXFQDUYDNO-UHFFFAOYSA-N 1 2 275.352 2.004 20 30 CEEDLO C#CCCCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000289121599 395070485 /nfs/dbraw/zinc/07/04/85/395070485.db2.gz WZPFIWLIUMWXQA-UHFFFAOYSA-N 1 2 266.304 2.264 20 30 CEEDLO C#CCCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372379767 395041361 /nfs/dbraw/zinc/04/13/61/395041361.db2.gz IIVBSIUJGFPNGI-LBPRGKRZSA-N 1 2 273.380 2.168 20 30 CEEDLO C#CCCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372379767 395041368 /nfs/dbraw/zinc/04/13/68/395041368.db2.gz IIVBSIUJGFPNGI-LBPRGKRZSA-N 1 2 273.380 2.168 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1[nH]c[nH+]c1C ZINC000287423572 395041461 /nfs/dbraw/zinc/04/14/61/395041461.db2.gz QIBQQMYQAGUDMT-HNNXBMFYSA-N 1 2 281.359 2.011 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1[nH+]c[nH]c1C ZINC000287423572 395041464 /nfs/dbraw/zinc/04/14/64/395041464.db2.gz QIBQQMYQAGUDMT-HNNXBMFYSA-N 1 2 281.359 2.011 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCc2ccn(C(C)C)n2)c1 ZINC000174216333 395121540 /nfs/dbraw/zinc/12/15/40/395121540.db2.gz JGVCLBDCZLYJOB-UHFFFAOYSA-N 1 2 288.351 2.310 20 30 CEEDLO N#CCC[N@@H+](CCn1cnc2ccccc2c1=O)CC1CC1 ZINC000174694926 395127584 /nfs/dbraw/zinc/12/75/84/395127584.db2.gz KAMXWPSVGXVYEI-UHFFFAOYSA-N 1 2 296.374 2.022 20 30 CEEDLO N#CCC[N@H+](CCn1cnc2ccccc2c1=O)CC1CC1 ZINC000174694926 395127590 /nfs/dbraw/zinc/12/75/90/395127590.db2.gz KAMXWPSVGXVYEI-UHFFFAOYSA-N 1 2 296.374 2.022 20 30 CEEDLO C=CCC1(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CCC1 ZINC000376193920 395112636 /nfs/dbraw/zinc/11/26/36/395112636.db2.gz FBXRTAQNSWODIQ-GJZGRUSLSA-N 1 2 292.423 2.054 20 30 CEEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccon1 ZINC000349235009 395162603 /nfs/dbraw/zinc/16/26/03/395162603.db2.gz FODZPVHYKFABOY-LBPRGKRZSA-N 1 2 290.367 2.010 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CNc3cnn(CC4CC4)c3)n2c1 ZINC000179078908 395177986 /nfs/dbraw/zinc/17/79/86/395177986.db2.gz OTODAXGALBTHAL-UHFFFAOYSA-N 1 2 292.346 2.425 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+][C@@H](CC)CC#N)nc1 ZINC000519654719 395203402 /nfs/dbraw/zinc/20/34/02/395203402.db2.gz URXSYEZTAVHAGR-LBPRGKRZSA-N 1 2 261.325 2.040 20 30 CEEDLO C=CCC(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000293870181 395254976 /nfs/dbraw/zinc/25/49/76/395254976.db2.gz ZPMOQYYEHKGORO-ZDUSSCGKSA-N 1 2 271.368 2.481 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352469434 395257176 /nfs/dbraw/zinc/25/71/76/395257176.db2.gz XLZHVKIZDSJZHB-NSHDSACASA-N 1 2 269.364 2.007 20 30 CEEDLO COC(=O)[C@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411677383 395336379 /nfs/dbraw/zinc/33/63/79/395336379.db2.gz KYFHDYBTGONQMV-LBPRGKRZSA-N 1 2 252.358 2.344 20 30 CEEDLO COC(=O)[C@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411677383 395336385 /nfs/dbraw/zinc/33/63/85/395336385.db2.gz KYFHDYBTGONQMV-LBPRGKRZSA-N 1 2 252.358 2.344 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000411750100 395337570 /nfs/dbraw/zinc/33/75/70/395337570.db2.gz XPNQJRNRBWENRO-NSHDSACASA-N 1 2 275.308 2.481 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000411750100 395337575 /nfs/dbraw/zinc/33/75/75/395337575.db2.gz XPNQJRNRBWENRO-NSHDSACASA-N 1 2 275.308 2.481 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnnn1C1CC1 ZINC000190611019 395340511 /nfs/dbraw/zinc/34/05/11/395340511.db2.gz SSFUGWIXOLFBLH-WDEREUQCSA-N 1 2 282.351 2.291 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872169 395340846 /nfs/dbraw/zinc/34/08/46/395340846.db2.gz JAKGRGCJEIVROR-GDBMZVCRSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411872169 395340851 /nfs/dbraw/zinc/34/08/51/395340851.db2.gz JAKGRGCJEIVROR-GDBMZVCRSA-N 1 2 292.423 2.076 20 30 CEEDLO CCN1CCN(c2ccc(C#N)cc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530533678 395456645 /nfs/dbraw/zinc/45/66/45/395456645.db2.gz QRULJUMUZCNTSX-OAHLLOKOSA-N 1 2 299.353 2.304 20 30 CEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000533447194 395461741 /nfs/dbraw/zinc/46/17/41/395461741.db2.gz ZZODSJBXMICJAK-UHFFFAOYSA-N 1 2 295.342 2.334 20 30 CEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000533447194 395461743 /nfs/dbraw/zinc/46/17/43/395461743.db2.gz ZZODSJBXMICJAK-UHFFFAOYSA-N 1 2 295.342 2.334 20 30 CEEDLO C=C1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000534472124 395462988 /nfs/dbraw/zinc/46/29/88/395462988.db2.gz IQACUQYVAXVOAN-UHFFFAOYSA-N 1 2 270.332 2.497 20 30 CEEDLO C[C@H](C#N)CN(C(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000355315503 395408186 /nfs/dbraw/zinc/40/81/86/395408186.db2.gz JKNPQTQZEBIYBT-LLVKDONJSA-N 1 2 299.365 2.114 20 30 CEEDLO C=CCCCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000573814338 395619764 /nfs/dbraw/zinc/61/97/64/395619764.db2.gz QJUJCJFJEKCFEE-UHFFFAOYSA-N 1 2 297.443 2.143 20 30 CEEDLO Cc1ccc2nc(C[NH2+]C[C@@H](C#N)CCC#N)cn2c1 ZINC000569961092 395581018 /nfs/dbraw/zinc/58/10/18/395581018.db2.gz WTBWDNNFXFLTEH-CYBMUJFWSA-N 1 2 267.336 2.176 20 30 CEEDLO Cc1ccc2[nH+]c(CNC[C@@H](C#N)CCC#N)cn2c1 ZINC000569961092 395581021 /nfs/dbraw/zinc/58/10/21/395581021.db2.gz WTBWDNNFXFLTEH-CYBMUJFWSA-N 1 2 267.336 2.176 20 30 CEEDLO Cc1noc(C2CC[NH+](CC3(C#N)CCC3)CC2)n1 ZINC000572591382 395586779 /nfs/dbraw/zinc/58/67/79/395586779.db2.gz UREZPZJMGLTENG-UHFFFAOYSA-N 1 2 260.341 2.251 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(C#N)cc1OC(F)F ZINC000490761574 395668972 /nfs/dbraw/zinc/66/89/72/395668972.db2.gz AJHJWCLYIAOXTG-UHFFFAOYSA-N 1 2 274.270 2.228 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000493562401 395671533 /nfs/dbraw/zinc/67/15/33/395671533.db2.gz VHRIKFCYDDJZGC-WAYWQWQTSA-N 1 2 293.326 2.291 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000649353983 396127085 /nfs/dbraw/zinc/12/70/85/396127085.db2.gz JTUYHGHORCFBGF-CQSZACIVSA-N 1 2 253.292 2.260 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000649353983 396127087 /nfs/dbraw/zinc/12/70/87/396127087.db2.gz JTUYHGHORCFBGF-CQSZACIVSA-N 1 2 253.292 2.260 20 30 CEEDLO CC(C)CC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000360705140 155355170 /nfs/dbraw/zinc/35/51/70/155355170.db2.gz VDAWHSKOGRXKRK-HNNXBMFYSA-N 1 2 288.391 2.418 20 30 CEEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1C#N ZINC000191428905 153172318 /nfs/dbraw/zinc/17/23/18/153172318.db2.gz YZPCZBORBPVWTK-OAHLLOKOSA-N 1 2 271.320 2.063 20 30 CEEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1C#N ZINC000191428905 153172323 /nfs/dbraw/zinc/17/23/23/153172323.db2.gz YZPCZBORBPVWTK-OAHLLOKOSA-N 1 2 271.320 2.063 20 30 CEEDLO C[C@@]([NH2+]Cc1ccc(C#N)c(F)c1)(C(N)=O)c1ccccc1 ZINC000192094592 153203518 /nfs/dbraw/zinc/20/35/18/153203518.db2.gz QLCOBOVYMHKRFS-KRWDZBQOSA-N 1 2 297.333 2.188 20 30 CEEDLO C[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000268303891 154144078 /nfs/dbraw/zinc/14/40/78/154144078.db2.gz YTWFLMIGIMDZSC-GXTWGEPZSA-N 1 2 267.336 2.237 20 30 CEEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCCCNC1=O ZINC000368406901 156335446 /nfs/dbraw/zinc/33/54/46/156335446.db2.gz ILLSBUVAVJTERE-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCCCNC1=O ZINC000368406901 156335450 /nfs/dbraw/zinc/33/54/50/156335450.db2.gz ILLSBUVAVJTERE-CQSZACIVSA-N 1 2 291.782 2.312 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)s1 ZINC000375467296 157103128 /nfs/dbraw/zinc/10/31/28/157103128.db2.gz HZIRQLIISPMJQM-KGLIPLIRSA-N 1 2 290.388 2.190 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)s1 ZINC000375467296 157103130 /nfs/dbraw/zinc/10/31/30/157103130.db2.gz HZIRQLIISPMJQM-KGLIPLIRSA-N 1 2 290.388 2.190 20 30 CEEDLO Cc1ccnc(NCc2ccc(-n3cc[nH+]c3)nc2)c1C#N ZINC000376351710 157211141 /nfs/dbraw/zinc/21/11/41/157211141.db2.gz NPZMOQXIXAXRIX-UHFFFAOYSA-N 1 2 290.330 2.455 20 30 CEEDLO N#Cc1ccnc(N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000376445911 157225141 /nfs/dbraw/zinc/22/51/41/157225141.db2.gz DUTZBBNTXXWJPJ-AWEZNQCLSA-N 1 2 279.347 2.429 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000285230150 196227731 /nfs/dbraw/zinc/22/77/31/196227731.db2.gz BCVBDSJNUKVUPW-HNNXBMFYSA-N 1 2 299.378 2.182 20 30 CEEDLO N#Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000285393817 196271425 /nfs/dbraw/zinc/27/14/25/196271425.db2.gz SPMHHCZRXBYDNG-GFCCVEGCSA-N 1 2 298.321 2.440 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(OC)cc2)nn1 ZINC000653489235 415012177 /nfs/dbraw/zinc/01/21/77/415012177.db2.gz WZNIPVIURCFPDN-UHFFFAOYSA-N 1 2 286.379 2.495 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(OC)cc2)nn1 ZINC000653489235 415012178 /nfs/dbraw/zinc/01/21/78/415012178.db2.gz WZNIPVIURCFPDN-UHFFFAOYSA-N 1 2 286.379 2.495 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)nn1 ZINC000657468885 414953643 /nfs/dbraw/zinc/95/36/43/414953643.db2.gz OYVUJZGWSORJJU-BLLLJJGKSA-N 1 2 284.363 2.466 20 30 CEEDLO C=CC[N@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)COC ZINC000661242191 415154350 /nfs/dbraw/zinc/15/43/50/415154350.db2.gz IHQSEDBQOJBVKK-NSHDSACASA-N 1 2 291.317 2.468 20 30 CEEDLO C=CC[N@@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)COC ZINC000661242191 415154355 /nfs/dbraw/zinc/15/43/55/415154355.db2.gz IHQSEDBQOJBVKK-NSHDSACASA-N 1 2 291.317 2.468 20 30 CEEDLO C=CC[N@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)COC ZINC000661243955 415154438 /nfs/dbraw/zinc/15/44/38/415154438.db2.gz OMWSYNDWOTVCTA-LLVKDONJSA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)COC ZINC000661243955 415154441 /nfs/dbraw/zinc/15/44/41/415154441.db2.gz OMWSYNDWOTVCTA-LLVKDONJSA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@H](C)COC ZINC000661243017 415154636 /nfs/dbraw/zinc/15/46/36/415154636.db2.gz ICQCYZHGPGNBQQ-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@H](C)COC ZINC000661243017 415154639 /nfs/dbraw/zinc/15/46/39/415154639.db2.gz ICQCYZHGPGNBQQ-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C)c1C)[C@H](C)COC ZINC000661243413 415154931 /nfs/dbraw/zinc/15/49/31/415154931.db2.gz KQBZNMZMATZUGP-CYBMUJFWSA-N 1 2 278.396 2.348 20 30 CEEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)[C@H](C)COC ZINC000661243413 415154934 /nfs/dbraw/zinc/15/49/34/415154934.db2.gz KQBZNMZMATZUGP-CYBMUJFWSA-N 1 2 278.396 2.348 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1F)[C@H](C)COC ZINC000661243403 415155789 /nfs/dbraw/zinc/15/57/89/415155789.db2.gz KLOZVYPYZQMUQO-GFCCVEGCSA-N 1 2 280.343 2.287 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1F)[C@H](C)COC ZINC000661243403 415155798 /nfs/dbraw/zinc/15/57/98/415155798.db2.gz KLOZVYPYZQMUQO-GFCCVEGCSA-N 1 2 280.343 2.287 20 30 CEEDLO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000661114445 415101652 /nfs/dbraw/zinc/10/16/52/415101652.db2.gz HRIJXSTXVLXASN-JSGCOSHPSA-N 1 2 286.379 2.247 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661123525 415104910 /nfs/dbraw/zinc/10/49/10/415104910.db2.gz PZRVFORCATXEOS-GHMZBOCLSA-N 1 2 250.346 2.135 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661425433 415257198 /nfs/dbraw/zinc/25/71/98/415257198.db2.gz STYUMRRDLSAMCE-NSHDSACASA-N 1 2 267.398 2.218 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833459 415491047 /nfs/dbraw/zinc/49/10/47/415491047.db2.gz SHRJZVZRVDYXIP-TZMCWYRMSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833459 415491050 /nfs/dbraw/zinc/49/10/50/415491050.db2.gz SHRJZVZRVDYXIP-TZMCWYRMSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000664713996 415459816 /nfs/dbraw/zinc/45/98/16/415459816.db2.gz HMEBJVHBCJOYRE-LBPRGKRZSA-N 1 2 276.384 2.242 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(S(C)(=O)=O)o1 ZINC000662088217 415620242 /nfs/dbraw/zinc/62/02/42/415620242.db2.gz AGMASYUNLGOBRJ-TXEJJXNPSA-N 1 2 281.377 2.366 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(S(C)(=O)=O)o1 ZINC000662088217 415620248 /nfs/dbraw/zinc/62/02/48/415620248.db2.gz AGMASYUNLGOBRJ-TXEJJXNPSA-N 1 2 281.377 2.366 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000656538300 415750599 /nfs/dbraw/zinc/75/05/99/415750599.db2.gz UZAKACJGOVDCRZ-KGLIPLIRSA-N 1 2 276.384 2.317 20 30 CEEDLO C=CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]c[nH+]1 ZINC000078752377 177381484 /nfs/dbraw/zinc/38/14/84/177381484.db2.gz JEEUTBDKGGNMMG-ZDUSSCGKSA-N 1 2 254.293 2.162 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000566800683 299023278 /nfs/dbraw/zinc/02/32/78/299023278.db2.gz VVHCWENWVGVEOF-LLVKDONJSA-N 1 2 289.335 2.466 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000566800683 299023281 /nfs/dbraw/zinc/02/32/81/299023281.db2.gz VVHCWENWVGVEOF-LLVKDONJSA-N 1 2 289.335 2.466 20 30 CEEDLO N#CCN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000347790153 226375901 /nfs/dbraw/zinc/37/59/01/226375901.db2.gz SOKUSWDVLKUSKA-UPHRSURJSA-N 1 2 277.318 2.119 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC[S@@]1=O ZINC000336591023 227144189 /nfs/dbraw/zinc/14/41/89/227144189.db2.gz WXQSPDVAUKCDDB-XCLFUZPHSA-N 1 2 290.432 2.441 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[S@@]1=O ZINC000336591023 227144193 /nfs/dbraw/zinc/14/41/93/227144193.db2.gz WXQSPDVAUKCDDB-XCLFUZPHSA-N 1 2 290.432 2.441 20 30 CEEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329007696 227256571 /nfs/dbraw/zinc/25/65/71/227256571.db2.gz YKUDOEXKKBWJPD-DYEKYZERSA-N 1 2 277.368 2.360 20 30 CEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cncc2ccccc21 ZINC000329076390 227285247 /nfs/dbraw/zinc/28/52/47/227285247.db2.gz AVEIBFGXLBQEIQ-ZDUSSCGKSA-N 1 2 299.374 2.260 20 30 CEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cncc2ccccc21 ZINC000329076390 227285253 /nfs/dbraw/zinc/28/52/53/227285253.db2.gz AVEIBFGXLBQEIQ-ZDUSSCGKSA-N 1 2 299.374 2.260 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncnn1-c1ccccc1 ZINC000331577947 228112801 /nfs/dbraw/zinc/11/28/01/228112801.db2.gz RUBSCKVMJZVOMF-JSGCOSHPSA-N 1 2 267.336 2.049 20 30 CEEDLO N#CC[C@H](CC(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000356000119 228081491 /nfs/dbraw/zinc/08/14/91/228081491.db2.gz NDHNZIPPRNYWGC-CYBMUJFWSA-N 1 2 268.320 2.113 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000332200961 228152182 /nfs/dbraw/zinc/15/21/82/228152182.db2.gz ROFRGOOELMNFGF-JQWIXIFHSA-N 1 2 285.376 2.382 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nnnn1C1CC1 ZINC000298892280 260168916 /nfs/dbraw/zinc/16/89/16/260168916.db2.gz LKIQDYMOICGBSD-GFCCVEGCSA-N 1 2 287.367 2.393 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nnnn1C1CC1 ZINC000298892280 260168917 /nfs/dbraw/zinc/16/89/17/260168917.db2.gz LKIQDYMOICGBSD-GFCCVEGCSA-N 1 2 287.367 2.393 20 30 CEEDLO C#CC[NH+](CC#C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000299184430 260174234 /nfs/dbraw/zinc/17/42/34/260174234.db2.gz BRYWFASXIFRNNJ-WMLDXEAASA-N 1 2 298.361 2.056 20 30 CEEDLO CCc1nc(CO[NH+]=C(N)Cc2ccccc2Cl)no1 ZINC000067098741 260250860 /nfs/dbraw/zinc/25/08/60/260250860.db2.gz KCKRXFWMBQUOTM-UHFFFAOYSA-N 1 2 294.742 2.317 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000068481660 260256554 /nfs/dbraw/zinc/25/65/54/260256554.db2.gz AYASAKMNDGITRK-QWRGUYRKSA-N 1 2 266.366 2.043 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccccc1Cl ZINC000078670481 260302268 /nfs/dbraw/zinc/30/22/68/260302268.db2.gz 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261263834 /nfs/dbraw/zinc/26/38/34/261263834.db2.gz NOISAIFSKOLEJX-LLVKDONJSA-N 1 2 293.323 2.216 20 30 CEEDLO N#CCN1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000194373639 262236616 /nfs/dbraw/zinc/23/66/16/262236616.db2.gz KXKMQJAKMLRTMG-UHFFFAOYSA-N 1 2 288.376 2.044 20 30 CEEDLO C#CCCCC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365402882 262364398 /nfs/dbraw/zinc/36/43/98/262364398.db2.gz BYRONBBKGHWULJ-UHFFFAOYSA-N 1 2 291.420 2.027 20 30 CEEDLO Cc1ccc(Cc2noc(-c3ccc(C#N)[nH]3)n2)c[nH+]1 ZINC000356123759 262542496 /nfs/dbraw/zinc/54/24/96/262542496.db2.gz ILCTYFWHHUEIAA-UHFFFAOYSA-N 1 2 265.276 2.231 20 30 CEEDLO COCC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccco1 ZINC000272537924 263006237 /nfs/dbraw/zinc/00/62/37/263006237.db2.gz ZUFWEOQBBNUVGO-OLZOCXBDSA-N 1 2 261.325 2.390 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CC[C@H]2CCO[C@H](C)C2)c1O ZINC000273331066 263015630 /nfs/dbraw/zinc/01/56/30/263015630.db2.gz JLHNLMPEOSIALQ-FMBJEWMDSA-N 1 2 292.379 2.212 20 30 CEEDLO C[NH2+]Cc1noc([C@@H](C#N)CCc2ccccc2)n1 ZINC000414638805 263019033 /nfs/dbraw/zinc/01/90/33/263019033.db2.gz FPTJJEBZJCNUQZ-GFCCVEGCSA-N 1 2 256.309 2.029 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000274334086 263023174 /nfs/dbraw/zinc/02/31/74/263023174.db2.gz ZUORXHKOSYWNQX-CQSZACIVSA-N 1 2 273.380 2.115 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000274334086 263023175 /nfs/dbraw/zinc/02/31/75/263023175.db2.gz ZUORXHKOSYWNQX-CQSZACIVSA-N 1 2 273.380 2.115 20 30 CEEDLO C#CCCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000275482576 263033507 /nfs/dbraw/zinc/03/35/07/263033507.db2.gz NLDWWLDHGDYGNL-UHFFFAOYSA-N 1 2 268.263 2.046 20 30 CEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OC3CCC3)cn2)n1 ZINC000278493937 263048378 /nfs/dbraw/zinc/04/83/78/263048378.db2.gz HSOGNDKREYQQFS-UHFFFAOYSA-N 1 2 285.351 2.074 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278566639 263049215 /nfs/dbraw/zinc/04/92/15/263049215.db2.gz WCICDDAIDAAWNQ-GFCCVEGCSA-N 1 2 288.347 2.265 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278566639 263049216 /nfs/dbraw/zinc/04/92/16/263049216.db2.gz WCICDDAIDAAWNQ-GFCCVEGCSA-N 1 2 288.347 2.265 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)CC(C)(C)C#N)cn2c1 ZINC000279375446 263054967 /nfs/dbraw/zinc/05/49/67/263054967.db2.gz XKYCSTFEYCCKTR-UHFFFAOYSA-N 1 2 270.336 2.199 20 30 CEEDLO Cc1ccc(C)c(OCCO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283877573 263084667 /nfs/dbraw/zinc/08/46/67/263084667.db2.gz CRAQPFMKLSLPPQ-ZDUSSCGKSA-N 1 2 278.352 2.150 20 30 CEEDLO Cc1cc(CO[NH+]=C(N)[C@H]2CCCO2)c(C)s1 ZINC000284104737 263085956 /nfs/dbraw/zinc/08/59/56/263085956.db2.gz LIGUGPGSMHVRRK-LLVKDONJSA-N 1 2 254.355 2.333 20 30 CEEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000286318039 263098145 /nfs/dbraw/zinc/09/81/45/263098145.db2.gz FHZRBFYFYMUGPF-CYBMUJFWSA-N 1 2 296.317 2.445 20 30 CEEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000286318039 263098146 /nfs/dbraw/zinc/09/81/46/263098146.db2.gz FHZRBFYFYMUGPF-CYBMUJFWSA-N 1 2 296.317 2.445 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccnc(Br)c1 ZINC000292693808 263133867 /nfs/dbraw/zinc/13/38/67/263133867.db2.gz AACZYOUQLWUOLR-VIFPVBQESA-N 1 2 268.158 2.436 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccnc(Br)c1 ZINC000292693808 263133868 /nfs/dbraw/zinc/13/38/68/263133868.db2.gz AACZYOUQLWUOLR-VIFPVBQESA-N 1 2 268.158 2.436 20 30 CEEDLO N#CCCOCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000293487175 263141827 /nfs/dbraw/zinc/14/18/27/263141827.db2.gz MTCPBJUTOVKAOG-XBXARRHUSA-N 1 2 299.418 2.248 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120155327 263280938 /nfs/dbraw/zinc/28/09/38/263280938.db2.gz NGBJDFZBZGMFTL-QWHCGFSZSA-N 1 2 277.368 2.445 20 30 CEEDLO C=C1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000341989856 263381992 /nfs/dbraw/zinc/38/19/92/263381992.db2.gz BCYVDQWOEHRSCL-KBPBESRZSA-N 1 2 250.386 2.333 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](C)C1 ZINC000330370869 263916340 /nfs/dbraw/zinc/91/63/40/263916340.db2.gz GXHFUEFDBDGLOA-LBPRGKRZSA-N 1 2 264.373 2.295 20 30 CEEDLO C=C[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330418149 263934379 /nfs/dbraw/zinc/93/43/79/263934379.db2.gz XYKBALALNABNLV-CMPLNLGQSA-N 1 2 262.357 2.147 20 30 CEEDLO C#C[C@H]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000874860974 649857392 /nfs/dbraw/zinc/85/73/92/649857392.db2.gz ASSGGNNRSNDUQM-HDJSIYSDSA-N 1 2 294.358 2.189 20 30 CEEDLO CC[C@H](C)[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000330711886 264021552 /nfs/dbraw/zinc/02/15/52/264021552.db2.gz VLSVXRYJYIZDNP-QWRGUYRKSA-N 1 2 252.362 2.201 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000330784316 264052919 /nfs/dbraw/zinc/05/29/19/264052919.db2.gz RPULVMVDFDBUMP-UHFFFAOYSA-N 1 2 289.354 2.068 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000330868224 264058096 /nfs/dbraw/zinc/05/80/96/264058096.db2.gz YJLLOHVUXBLXKB-HOSYDEDBSA-N 1 2 292.770 2.344 20 30 CEEDLO CC(C)c1nnc([C@H]2C[N@H+](CCCCC#N)CCO2)o1 ZINC000330972294 264092464 /nfs/dbraw/zinc/09/24/64/264092464.db2.gz GPHCHWGHOYIRMJ-GFCCVEGCSA-N 1 2 278.356 2.260 20 30 CEEDLO CC(C)c1nnc([C@H]2C[N@@H+](CCCCC#N)CCO2)o1 ZINC000330972294 264092465 /nfs/dbraw/zinc/09/24/65/264092465.db2.gz GPHCHWGHOYIRMJ-GFCCVEGCSA-N 1 2 278.356 2.260 20 30 CEEDLO CCCN(CC#N)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331060673 264110101 /nfs/dbraw/zinc/11/01/01/264110101.db2.gz NVPYQTRNSHKPOA-UHFFFAOYSA-N 1 2 270.336 2.258 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)[C@H](C)CO)c(C)[nH+]1 ZINC000331230655 264152490 /nfs/dbraw/zinc/15/24/90/264152490.db2.gz HHYLCICMMKOIPE-MWLCHTKSSA-N 1 2 265.357 2.350 20 30 CEEDLO CCc1nc(C)c(NC(=O)NCc2[nH+]ccn2C)s1 ZINC000331209529 264162613 /nfs/dbraw/zinc/16/26/13/264162613.db2.gz WSYITMKGVFAGKV-UHFFFAOYSA-N 1 2 279.369 2.274 20 30 CEEDLO CO[C@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331242363 264176920 /nfs/dbraw/zinc/17/69/20/264176920.db2.gz QWVFTIRSQKETFP-SNVBAGLBSA-N 1 2 251.330 2.368 20 30 CEEDLO Cc1cc(C)c(NC(=O)N(CCO)CC(F)F)c(C)[nH+]1 ZINC000331298911 264198861 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C=C[C@@H]1OCC[C@H]1Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000514653723 266028746 /nfs/dbraw/zinc/02/87/46/266028746.db2.gz AZPPXIADJUMPJI-KGLIPLIRSA-N 1 2 284.363 2.451 20 30 CEEDLO C=C[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356368075 266103088 /nfs/dbraw/zinc/10/30/88/266103088.db2.gz NAVZRWCWWHFEHR-QWRGUYRKSA-N 1 2 261.369 2.329 20 30 CEEDLO C=C[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356368075 266103091 /nfs/dbraw/zinc/10/30/91/266103091.db2.gz NAVZRWCWWHFEHR-QWRGUYRKSA-N 1 2 261.369 2.329 20 30 CEEDLO CN(C)c1ncc(C[N@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000356436023 266113060 /nfs/dbraw/zinc/11/30/60/266113060.db2.gz QRPCUTXJMDYFKB-UHFFFAOYSA-N 1 2 298.365 2.165 20 30 CEEDLO CN(C)c1ncc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000356436023 266113064 /nfs/dbraw/zinc/11/30/64/266113064.db2.gz QRPCUTXJMDYFKB-UHFFFAOYSA-N 1 2 298.365 2.165 20 30 CEEDLO C=C[C@H](CO)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000356847237 266189098 /nfs/dbraw/zinc/18/90/98/266189098.db2.gz KEHBNXSUYRRJSC-CQSZACIVSA-N 1 2 298.342 2.459 20 30 CEEDLO C[C@H](C#N)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000357785819 266361477 /nfs/dbraw/zinc/36/14/77/266361477.db2.gz DFPUWNGTJCMOKG-GFCCVEGCSA-N 1 2 284.319 2.060 20 30 CEEDLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000421374116 266852567 /nfs/dbraw/zinc/85/25/67/266852567.db2.gz BAGQKLTVJJQXOZ-UHFFFAOYSA-N 1 2 290.338 2.471 20 30 CEEDLO C=C(Cl)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000363303485 267086133 /nfs/dbraw/zinc/08/61/33/267086133.db2.gz QLIANOJVMPHYOP-CYBMUJFWSA-N 1 2 264.756 2.130 20 30 CEEDLO C=C(Cl)CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000363303485 267086135 /nfs/dbraw/zinc/08/61/35/267086135.db2.gz QLIANOJVMPHYOP-CYBMUJFWSA-N 1 2 264.756 2.130 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661992 267195071 /nfs/dbraw/zinc/19/50/71/267195071.db2.gz GMBXPCYAOVMNDW-UONOGXRCSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661992 267195072 /nfs/dbraw/zinc/19/50/72/267195072.db2.gz GMBXPCYAOVMNDW-UONOGXRCSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC000368661992 267195073 /nfs/dbraw/zinc/19/50/73/267195073.db2.gz GMBXPCYAOVMNDW-UONOGXRCSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC000368661992 267195074 /nfs/dbraw/zinc/19/50/74/267195074.db2.gz GMBXPCYAOVMNDW-UONOGXRCSA-N 1 2 271.368 2.341 20 30 CEEDLO CC(C)(C)C(=O)N1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000369243067 267229377 /nfs/dbraw/zinc/22/93/77/267229377.db2.gz KPPSPWFRVHLVEO-CQSZACIVSA-N 1 2 290.411 2.010 20 30 CEEDLO CC(C)(C)C(=O)N1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000369243067 267229378 /nfs/dbraw/zinc/22/93/78/267229378.db2.gz KPPSPWFRVHLVEO-CQSZACIVSA-N 1 2 290.411 2.010 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369430609 267241847 /nfs/dbraw/zinc/24/18/47/267241847.db2.gz BPVUXRSBSCTJIJ-GFCCVEGCSA-N 1 2 285.351 2.031 20 30 CEEDLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCC#N)CC1 ZINC000369509088 267248193 /nfs/dbraw/zinc/24/81/93/267248193.db2.gz GUFDFYZJIVFBAS-INIZCTEOSA-N 1 2 277.412 2.403 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C#N)ccc1NC ZINC000493182882 267255061 /nfs/dbraw/zinc/25/50/61/267255061.db2.gz BUSCNKGLJVXYCN-SREVYHEPSA-N 1 2 295.346 2.468 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C#N)ccc1NC ZINC000493182883 267255166 /nfs/dbraw/zinc/25/51/66/267255166.db2.gz BUSCNKGLJVXYCN-VOTSOKGWSA-N 1 2 295.346 2.468 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C#N)ccc1OC ZINC000492445815 267256374 /nfs/dbraw/zinc/25/63/74/267256374.db2.gz IFXOOLJVJIZADO-SREVYHEPSA-N 1 2 296.330 2.435 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(C#N)cc1OC ZINC000492643902 267257419 /nfs/dbraw/zinc/25/74/19/267257419.db2.gz JZFYVWGEOPGFJM-SREVYHEPSA-N 1 2 296.330 2.435 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000452574280 267257812 /nfs/dbraw/zinc/25/78/12/267257812.db2.gz ZGQVREUDWLCPIR-UHFFFAOYSA-N 1 2 294.358 2.123 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000369804399 267267374 /nfs/dbraw/zinc/26/73/74/267267374.db2.gz UECQBCMUWXSMOB-HZPDHXFCSA-N 1 2 283.375 2.037 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000369804399 267267377 /nfs/dbraw/zinc/26/73/77/267267377.db2.gz UECQBCMUWXSMOB-HZPDHXFCSA-N 1 2 283.375 2.037 20 30 CEEDLO C#CC[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000370202802 267298158 /nfs/dbraw/zinc/29/81/58/267298158.db2.gz CSSKWSOYSQVAEC-NEPJUHHUSA-N 1 2 260.341 2.058 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000459382782 267311546 /nfs/dbraw/zinc/31/15/46/267311546.db2.gz XBZLUQIQLGGDQN-LLVKDONJSA-N 1 2 277.349 2.404 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000459382782 267311545 /nfs/dbraw/zinc/31/15/45/267311545.db2.gz XBZLUQIQLGGDQN-LLVKDONJSA-N 1 2 277.349 2.404 20 30 CEEDLO CN(Cc1c[nH+]cn1C)Cc1cc(C#N)ccc1F ZINC000434837341 267323803 /nfs/dbraw/zinc/32/38/03/267323803.db2.gz SXJDZHNAAIBWOA-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO Cc1cc(N[C@H](C)CC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000425228710 267951992 /nfs/dbraw/zinc/95/19/92/267951992.db2.gz PJHZETIKOIQVCC-LLVKDONJSA-N 1 2 275.352 2.216 20 30 CEEDLO CC[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@H](C)C#N ZINC000376719014 268011179 /nfs/dbraw/zinc/01/11/79/268011179.db2.gz BNCPPCRHANPRTK-GFCCVEGCSA-N 1 2 269.352 2.453 20 30 CEEDLO CC[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@H](C)C#N ZINC000376719014 268011181 /nfs/dbraw/zinc/01/11/81/268011181.db2.gz BNCPPCRHANPRTK-GFCCVEGCSA-N 1 2 269.352 2.453 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C)ncc1C#N)CCC2 ZINC000425245770 268069531 /nfs/dbraw/zinc/06/95/31/268069531.db2.gz KFHZDKPYJLWPKL-ZDUSSCGKSA-N 1 2 281.363 2.178 20 30 CEEDLO Cc1[nH]c2ccc(Cn3c(C)nc(C#N)c3C#N)cc2[nH+]1 ZINC000442908710 268080330 /nfs/dbraw/zinc/08/03/30/268080330.db2.gz OHKDXBBXPWANAA-UHFFFAOYSA-N 1 2 276.303 2.168 20 30 CEEDLO Cc1[nH]c2cc(Cn3c(C)nc(C#N)c3C#N)ccc2[nH+]1 ZINC000442908710 268080332 /nfs/dbraw/zinc/08/03/32/268080332.db2.gz OHKDXBBXPWANAA-UHFFFAOYSA-N 1 2 276.303 2.168 20 30 CEEDLO N#Cc1cccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000530674549 268272452 /nfs/dbraw/zinc/27/24/52/268272452.db2.gz BJSIYHVDWXKUFS-OAHLLOKOSA-N 1 2 294.358 2.230 20 30 CEEDLO N#Cc1cncc(NCCCCNc2cccc[nH+]2)n1 ZINC000420579683 270540051 /nfs/dbraw/zinc/54/00/51/270540051.db2.gz DDFBNKSOHNLWIP-UHFFFAOYSA-N 1 2 268.324 2.047 20 30 CEEDLO Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000425253597 271147594 /nfs/dbraw/zinc/14/75/94/271147594.db2.gz LIYDXAQNKOYGIK-NEPJUHHUSA-N 1 2 299.296 2.259 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425505934 271165463 /nfs/dbraw/zinc/16/54/63/271165463.db2.gz ZOAJHGXZYVUQPB-OAHLLOKOSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425505934 271165469 /nfs/dbraw/zinc/16/54/69/271165469.db2.gz ZOAJHGXZYVUQPB-OAHLLOKOSA-N 1 2 285.326 2.126 20 30 CEEDLO Cc1nc2[nH]ccc2c(NCc2cccc(C#N)c2)[nH+]1 ZINC000433781537 271554338 /nfs/dbraw/zinc/55/43/38/271554338.db2.gz XNCQIVIKHWWQRR-UHFFFAOYSA-N 1 2 263.304 2.172 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246385532 290219812 /nfs/dbraw/zinc/21/98/12/290219812.db2.gz NOMLKWABNXQNLP-SOUVJXGZSA-N 1 2 287.407 2.006 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246385532 290219815 /nfs/dbraw/zinc/21/98/15/290219815.db2.gz NOMLKWABNXQNLP-SOUVJXGZSA-N 1 2 287.407 2.006 20 30 CEEDLO [O-]C(=[NH+]C1CCC(F)(F)CC1)N1CCn2c[nH+]cc2C1 ZINC000329546510 295376681 /nfs/dbraw/zinc/37/66/81/295376681.db2.gz HDQYQZSJVPHXDK-UHFFFAOYSA-N 1 2 284.310 2.191 20 30 CEEDLO O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000329814124 295386136 /nfs/dbraw/zinc/38/61/36/295386136.db2.gz DPHBEEBMXCGHRB-ZIAGYGMSSA-N 1 2 282.347 2.169 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CCO)CC1 ZINC000566663964 299012922 /nfs/dbraw/zinc/01/29/22/299012922.db2.gz KDDHTKVOXJVROH-UHFFFAOYSA-N 1 2 289.335 2.061 20 30 CEEDLO COc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC000563217164 313724634 /nfs/dbraw/zinc/72/46/34/313724634.db2.gz IFOGNBLKEFGMAH-GFCCVEGCSA-N 1 2 298.346 2.031 20 30 CEEDLO C[C@H]1C[NH+](CCSc2cccnc2C#N)C[C@H](C)O1 ZINC000570584049 314046818 /nfs/dbraw/zinc/04/68/18/314046818.db2.gz RJYXQTNAQXVMNS-RYUDHWBXSA-N 1 2 277.393 2.155 20 30 CEEDLO Cc1n[nH]cc1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000570736358 314055376 /nfs/dbraw/zinc/05/53/76/314055376.db2.gz PAKXVDIGDGKOQC-UHFFFAOYSA-N 1 2 287.392 2.426 20 30 CEEDLO CC[C@@H]1C[NH+](Cc2ccc(C#N)cn2)C[C@@H](CC)O1 ZINC000573015938 314136642 /nfs/dbraw/zinc/13/66/42/314136642.db2.gz CGIZJZGSQPIVAT-HUUCEWRRSA-N 1 2 259.353 2.343 20 30 CEEDLO Cc1ccc(Cn2cc3c(c(C#N)c2=O)CCC3)c(C)[nH+]1 ZINC000573288867 314150704 /nfs/dbraw/zinc/15/07/04/314150704.db2.gz KSLODZIBGZZWOZ-UHFFFAOYSA-N 1 2 279.343 2.269 20 30 CEEDLO CC#CCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891754 649865071 /nfs/dbraw/zinc/86/50/71/649865071.db2.gz TYRHYTNZKHPTLS-INIZCTEOSA-N 1 2 288.366 2.492 20 30 CEEDLO COC(=O)c1cc(C[N@H+](CCC#N)C(C)C)oc1C ZINC000534342055 328049842 /nfs/dbraw/zinc/04/98/42/328049842.db2.gz AYRSNCZRILOZKS-UHFFFAOYSA-N 1 2 264.325 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](CCC#N)C(C)C)oc1C ZINC000534342055 328049843 /nfs/dbraw/zinc/04/98/43/328049843.db2.gz AYRSNCZRILOZKS-UHFFFAOYSA-N 1 2 264.325 2.499 20 30 CEEDLO CCc1cccc(NC(=O)C[NH2+][C@H](CC)CC#N)c1 ZINC000563363771 328059285 /nfs/dbraw/zinc/05/92/85/328059285.db2.gz BQVGATPGAAFSNH-CYBMUJFWSA-N 1 2 259.353 2.469 20 30 CEEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000563591713 328075352 /nfs/dbraw/zinc/07/53/52/328075352.db2.gz WDIGKOCFLBIJHR-WFASDCNBSA-N 1 2 299.353 2.247 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366575410 328115964 /nfs/dbraw/zinc/11/59/64/328115964.db2.gz QJHHQURSLNPERN-VXGBXAGGSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366575410 328115966 /nfs/dbraw/zinc/11/59/66/328115966.db2.gz QJHHQURSLNPERN-VXGBXAGGSA-N 1 2 290.201 2.165 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000266231005 328168301 /nfs/dbraw/zinc/16/83/01/328168301.db2.gz UPIINIOMMMAZNY-NSHDSACASA-N 1 2 295.339 2.445 20 30 CEEDLO C[N@H+](Cc1nccn1C(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000278612352 328228343 /nfs/dbraw/zinc/22/83/43/328228343.db2.gz MQGDAZIAGWSRMP-UWVGGRQHSA-N 1 2 254.284 2.402 20 30 CEEDLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000278612352 328228344 /nfs/dbraw/zinc/22/83/44/328228344.db2.gz MQGDAZIAGWSRMP-UWVGGRQHSA-N 1 2 254.284 2.402 20 30 CEEDLO C[C@H](O)c1ncc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000289255987 328254257 /nfs/dbraw/zinc/25/42/57/328254257.db2.gz CTDIBMOCVNLXGF-JTQLQIEISA-N 1 2 265.382 2.322 20 30 CEEDLO C[C@H](O)c1ncc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000289255987 328254258 /nfs/dbraw/zinc/25/42/58/328254258.db2.gz CTDIBMOCVNLXGF-JTQLQIEISA-N 1 2 265.382 2.322 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1O ZINC000291858044 328266862 /nfs/dbraw/zinc/26/68/62/328266862.db2.gz IKGZUDGQCCVAQO-UHFFFAOYSA-N 1 2 276.336 2.311 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1O ZINC000291858044 328266864 /nfs/dbraw/zinc/26/68/64/328266864.db2.gz IKGZUDGQCCVAQO-UHFFFAOYSA-N 1 2 276.336 2.311 20 30 CEEDLO Cc1nocc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000295062378 328284843 /nfs/dbraw/zinc/28/48/43/328284843.db2.gz ZZTSHYXPPWIMRF-QGZVFWFLSA-N 1 2 296.374 2.366 20 30 CEEDLO CCc1ccc(C#CC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000293213558 328544232 /nfs/dbraw/zinc/54/42/32/328544232.db2.gz CWCVMKAXQIPYSJ-UHFFFAOYSA-N 1 2 295.386 2.346 20 30 CEEDLO CCOc1ncccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000558506719 327099659 /nfs/dbraw/zinc/09/96/59/327099659.db2.gz JVUDJEQMPZKTHF-GFCCVEGCSA-N 1 2 258.325 2.013 20 30 CEEDLO COc1ccc2c(c1)nc(C[NH2+]C[C@@H](C#N)CCC#N)n2C ZINC000558704840 327116148 /nfs/dbraw/zinc/11/61/48/327116148.db2.gz NYLJWXYYNCHEPF-GFCCVEGCSA-N 1 2 297.362 2.115 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152180740 327251130 /nfs/dbraw/zinc/25/11/30/327251130.db2.gz TZBVPVADSDERBZ-AWEZNQCLSA-N 1 2 288.395 2.234 20 30 CEEDLO N#CCC1(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000559843267 327264550 /nfs/dbraw/zinc/26/45/50/327264550.db2.gz SXDPHDHZKGHSBV-NSHDSACASA-N 1 2 273.365 2.239 20 30 CEEDLO Cc1ccccc1[C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309883 327299884 /nfs/dbraw/zinc/29/98/84/327299884.db2.gz WLOOGTNYUSGVNR-YOEHRIQHSA-N 1 2 287.407 2.449 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCC(C)(C)C ZINC000583384051 327336981 /nfs/dbraw/zinc/33/69/81/327336981.db2.gz DJPNMQRFUIAMKS-AWEZNQCLSA-N 1 2 253.390 2.163 20 30 CEEDLO CCN(CC)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000173538200 329148760 /nfs/dbraw/zinc/14/87/60/329148760.db2.gz XZGMUDCRPVHPTH-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO CCN(CC)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000173538200 329148762 /nfs/dbraw/zinc/14/87/62/329148762.db2.gz XZGMUDCRPVHPTH-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO C=CCN(CC=C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177784531 329186912 /nfs/dbraw/zinc/18/69/12/329186912.db2.gz PIEQGBBWQDQTHU-UHFFFAOYSA-N 1 2 270.336 2.218 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000183940688 329254706 /nfs/dbraw/zinc/25/47/06/329254706.db2.gz OCBMHRGTKVASDR-ZDUSSCGKSA-N 1 2 268.320 2.294 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000582973316 329296838 /nfs/dbraw/zinc/29/68/38/329296838.db2.gz VLVKYEHVGSXYLC-NEPJUHHUSA-N 1 2 275.352 2.304 20 30 CEEDLO Cc1ccnc2c(OC[C@H](O)C[N@H+](C)CCC#N)cccc12 ZINC000583131230 329318207 /nfs/dbraw/zinc/31/82/07/329318207.db2.gz ZEXSFEHRSHVCFL-CQSZACIVSA-N 1 2 299.374 2.128 20 30 CEEDLO Cc1ccnc2c(OC[C@H](O)C[N@@H+](C)CCC#N)cccc12 ZINC000583131230 329318208 /nfs/dbraw/zinc/31/82/08/329318208.db2.gz ZEXSFEHRSHVCFL-CQSZACIVSA-N 1 2 299.374 2.128 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000185877143 329334142 /nfs/dbraw/zinc/33/41/42/329334142.db2.gz JEIDAMHXCVMGNU-AWEZNQCLSA-N 1 2 287.407 2.251 20 30 CEEDLO C=CCn1nnnc1SCc1ccc(C)[nH+]c1C ZINC000186594902 329345825 /nfs/dbraw/zinc/34/58/25/329345825.db2.gz SFXDDKXYDPYQNX-UHFFFAOYSA-N 1 2 261.354 2.163 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573372 329848161 /nfs/dbraw/zinc/84/81/61/329848161.db2.gz AKFXDPAZQAKLLH-CYBMUJFWSA-N 1 2 262.353 2.296 20 30 CEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC2(F)CC2)CC1 ZINC000527510288 330255357 /nfs/dbraw/zinc/25/53/57/330255357.db2.gz OJVVQTSEHKUKCI-HNNXBMFYSA-N 1 2 273.355 2.371 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)nn1 ZINC000424292862 330335164 /nfs/dbraw/zinc/33/51/64/330335164.db2.gz HSSVDIWFNOOFKR-OAHLLOKOSA-N 1 2 284.363 2.337 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000424589404 330392163 /nfs/dbraw/zinc/39/21/63/330392163.db2.gz ZAFKTSCBUVFYGZ-UHFFFAOYSA-N 1 2 261.369 2.366 20 30 CEEDLO N#CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000431100510 330579087 /nfs/dbraw/zinc/57/90/87/330579087.db2.gz VJTDDZAUNYQZHP-UHFFFAOYSA-N 1 2 280.331 2.296 20 30 CEEDLO C=CCCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000447961256 330881410 /nfs/dbraw/zinc/88/14/10/330881410.db2.gz GJQYWQNDGCANDR-UHFFFAOYSA-N 1 2 272.352 2.408 20 30 CEEDLO C=CCC[C@H]([NH2+]C1CC(OCC)C1)C(=O)OCC ZINC000449660522 330942682 /nfs/dbraw/zinc/94/26/82/330942682.db2.gz XYJFANBCVLNDTE-BPCQOVAHSA-N 1 2 255.358 2.041 20 30 CEEDLO C=CCC[C@H](CO)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000450901044 331005942 /nfs/dbraw/zinc/00/59/42/331005942.db2.gz VJMYJWGZQVZSQB-CQSZACIVSA-N 1 2 284.363 2.008 20 30 CEEDLO C=C(CC)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459073446 331269186 /nfs/dbraw/zinc/26/91/86/331269186.db2.gz JKXPVJREAOXWDE-UHFFFAOYSA-N 1 2 262.357 2.196 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000459459623 331282443 /nfs/dbraw/zinc/28/24/43/331282443.db2.gz GRURKAZUGIXXJH-ZFWWWQNUSA-N 1 2 285.347 2.110 20 30 CEEDLO C#CC(C)(C)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000490657699 332100950 /nfs/dbraw/zinc/10/09/50/332100950.db2.gz ZMLYUSYPRDOEMT-JXMROGBWSA-N 1 2 279.343 2.414 20 30 CEEDLO C#CCN(CC#CC)Cc1c[nH+]c2cccc(C)n12 ZINC000490915808 332128616 /nfs/dbraw/zinc/12/86/16/332128616.db2.gz QBBFWLDXPGKYPT-UHFFFAOYSA-N 1 2 251.333 2.101 20 30 CEEDLO C#CCNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000490915831 332128666 /nfs/dbraw/zinc/12/86/66/332128666.db2.gz QHHVPVLGBYWPMP-UHFFFAOYSA-N 1 2 269.348 2.128 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C(C)=O)cc1 ZINC000490937226 332131244 /nfs/dbraw/zinc/13/12/44/332131244.db2.gz SPPYNYNQQINITN-INIZCTEOSA-N 1 2 285.343 2.144 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(C(C)=O)cc1 ZINC000490937226 332131245 /nfs/dbraw/zinc/13/12/45/332131245.db2.gz SPPYNYNQQINITN-INIZCTEOSA-N 1 2 285.343 2.144 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000491414394 332207504 /nfs/dbraw/zinc/20/75/04/332207504.db2.gz CKMFODUDKLRLSS-CMPLNLGQSA-N 1 2 250.367 2.448 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000491414394 332207505 /nfs/dbraw/zinc/20/75/05/332207505.db2.gz CKMFODUDKLRLSS-CMPLNLGQSA-N 1 2 250.367 2.448 20 30 CEEDLO C#CC[N@@H+](Cc1nc(C2CC2)nn1C)C1CCCC1 ZINC000491473673 332217973 /nfs/dbraw/zinc/21/79/73/332217973.db2.gz GROCUSRBAOYABV-UHFFFAOYSA-N 1 2 258.369 2.070 20 30 CEEDLO C#CC[N@H+](Cc1nc(C2CC2)nn1C)C1CCCC1 ZINC000491473673 332217974 /nfs/dbraw/zinc/21/79/74/332217974.db2.gz GROCUSRBAOYABV-UHFFFAOYSA-N 1 2 258.369 2.070 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000491626812 332250061 /nfs/dbraw/zinc/25/00/61/332250061.db2.gz JCCACIAHBDBUNZ-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000491626812 332250062 /nfs/dbraw/zinc/25/00/62/332250062.db2.gz JCCACIAHBDBUNZ-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000491638089 332258771 /nfs/dbraw/zinc/25/87/71/332258771.db2.gz XWQIUONESQFWAN-PBHICJAKSA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000491638089 332258772 /nfs/dbraw/zinc/25/87/72/332258772.db2.gz XWQIUONESQFWAN-PBHICJAKSA-N 1 2 270.376 2.088 20 30 CEEDLO C#CC[N@@H+](Cc1nc(C(F)F)no1)C1CCCC1 ZINC000491670537 332277799 /nfs/dbraw/zinc/27/77/99/332277799.db2.gz PAPNRUJMFMCKGE-UHFFFAOYSA-N 1 2 255.268 2.385 20 30 CEEDLO C#CC[N@H+](Cc1nc(C(F)F)no1)C1CCCC1 ZINC000491670537 332277800 /nfs/dbraw/zinc/27/78/00/332277800.db2.gz PAPNRUJMFMCKGE-UHFFFAOYSA-N 1 2 255.268 2.385 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000491709739 332301852 /nfs/dbraw/zinc/30/18/52/332301852.db2.gz XBTRQRVGLGRSPM-SNVBAGLBSA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000491709739 332301854 /nfs/dbraw/zinc/30/18/54/332301854.db2.gz XBTRQRVGLGRSPM-SNVBAGLBSA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000491718737 332307493 /nfs/dbraw/zinc/30/74/93/332307493.db2.gz WAINBWKGCQREFZ-ZIAGYGMSSA-N 1 2 270.376 2.308 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000491718737 332307494 /nfs/dbraw/zinc/30/74/94/332307494.db2.gz WAINBWKGCQREFZ-ZIAGYGMSSA-N 1 2 270.376 2.308 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000491752744 332328489 /nfs/dbraw/zinc/32/84/89/332328489.db2.gz ZDOUCFRPXPFZJO-VIFPVBQESA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000491752744 332328491 /nfs/dbraw/zinc/32/84/91/332328491.db2.gz ZDOUCFRPXPFZJO-VIFPVBQESA-N 1 2 268.719 2.371 20 30 CEEDLO C[C@H](C[N@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000492258306 332389606 /nfs/dbraw/zinc/38/96/06/332389606.db2.gz LNWMGUFTYBSLAL-MNOVXSKESA-N 1 2 255.362 2.134 20 30 CEEDLO C[C@H](C[N@@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000492258306 332389608 /nfs/dbraw/zinc/38/96/08/332389608.db2.gz LNWMGUFTYBSLAL-MNOVXSKESA-N 1 2 255.362 2.134 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000493104450 332426451 /nfs/dbraw/zinc/42/64/51/332426451.db2.gz JVGANBWWENMITJ-WUKHSURWSA-N 1 2 291.782 2.313 20 30 CEEDLO Cc1cccc2c(C(=O)N[C@](C)(C#N)C[NH+](C)C)coc21 ZINC000568986435 334849728 /nfs/dbraw/zinc/84/97/28/334849728.db2.gz CHCYZLVMUPEXSN-MRXNPFEDSA-N 1 2 285.347 2.315 20 30 CEEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000516637783 333080004 /nfs/dbraw/zinc/08/00/04/333080004.db2.gz ASKUHSWMYRGFKQ-LLVKDONJSA-N 1 2 288.307 2.137 20 30 CEEDLO COc1cccc(CNc2cc(CC#N)cc[nH+]2)n1 ZINC000516830015 333083410 /nfs/dbraw/zinc/08/34/10/333083410.db2.gz SZHMYVCOZXOJAM-UHFFFAOYSA-N 1 2 254.293 2.163 20 30 CEEDLO N#CCC1(O)C[NH+](Cc2csc3ccccc23)C1 ZINC000191915876 333188529 /nfs/dbraw/zinc/18/85/29/333188529.db2.gz IXDCHJPNJRNRSY-UHFFFAOYSA-N 1 2 258.346 2.362 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](CCC)c1ccccc1 ZINC000192227287 333233126 /nfs/dbraw/zinc/23/31/26/333233126.db2.gz ZETRLFMWSZNVFX-OAHLLOKOSA-N 1 2 258.365 2.209 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@H](CCC)c1ccccc1 ZINC000192227287 333233127 /nfs/dbraw/zinc/23/31/27/333233127.db2.gz ZETRLFMWSZNVFX-OAHLLOKOSA-N 1 2 258.365 2.209 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000192234808 333233560 /nfs/dbraw/zinc/23/35/60/333233560.db2.gz HHMCQHWDTFBINM-KRWDZBQOSA-N 1 2 288.391 2.074 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000192234808 333233561 /nfs/dbraw/zinc/23/35/61/333233561.db2.gz HHMCQHWDTFBINM-KRWDZBQOSA-N 1 2 288.391 2.074 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000524676367 333370923 /nfs/dbraw/zinc/37/09/23/333370923.db2.gz RGAKGEWZLQOEHW-UHFFFAOYSA-N 1 2 288.347 2.048 20 30 CEEDLO C=CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000547953384 334131278 /nfs/dbraw/zinc/13/12/78/334131278.db2.gz UQRGWXXXYSNOJX-CQSZACIVSA-N 1 2 284.363 2.337 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1F ZINC000245786956 334219451 /nfs/dbraw/zinc/21/94/51/334219451.db2.gz NAIDWYHDWDHONW-CHWSQXEVSA-N 1 2 291.370 2.312 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1F ZINC000245786956 334219452 /nfs/dbraw/zinc/21/94/52/334219452.db2.gz NAIDWYHDWDHONW-CHWSQXEVSA-N 1 2 291.370 2.312 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000550490732 334223319 /nfs/dbraw/zinc/22/33/19/334223319.db2.gz AJNYFAKNAWOFBK-UHFFFAOYSA-N 1 2 286.419 2.424 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000550490732 334223320 /nfs/dbraw/zinc/22/33/20/334223320.db2.gz AJNYFAKNAWOFBK-UHFFFAOYSA-N 1 2 286.419 2.424 20 30 CEEDLO C[C@@H](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000567991221 334782029 /nfs/dbraw/zinc/78/20/29/334782029.db2.gz MHJIKZJPBYQLOF-VNHYZAJKSA-N 1 2 274.368 2.423 20 30 CEEDLO Cc1cccn2cc(CC(=O)N[C@H]3CC[C@@H](CC#N)C3)[nH+]c12 ZINC000569071558 334854011 /nfs/dbraw/zinc/85/40/11/334854011.db2.gz MAOSEZSKORKWKX-KBPBESRZSA-N 1 2 296.374 2.384 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000576409330 335200453 /nfs/dbraw/zinc/20/04/53/335200453.db2.gz PRPUZQZUCISLGH-WCQYABFASA-N 1 2 270.336 2.167 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2sccc2c1 ZINC000576586962 335223010 /nfs/dbraw/zinc/22/30/10/335223010.db2.gz CKYQPOBBXROQNC-OAHLLOKOSA-N 1 2 287.388 2.475 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CCC#N)CC1 ZINC000576647449 335230963 /nfs/dbraw/zinc/23/09/63/335230963.db2.gz FAQZIBCOQWMOJR-GFCCVEGCSA-N 1 2 274.368 2.131 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CCC#N)CC1 ZINC000576647449 335230965 /nfs/dbraw/zinc/23/09/65/335230965.db2.gz FAQZIBCOQWMOJR-GFCCVEGCSA-N 1 2 274.368 2.131 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000577972395 335444416 /nfs/dbraw/zinc/44/44/16/335444416.db2.gz IYUUCTVEPBPWEG-LBPRGKRZSA-N 1 2 293.798 2.426 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC/C=C\c1ccccc1 ZINC000578326954 335610772 /nfs/dbraw/zinc/61/07/72/335610772.db2.gz LPIWROQHYFNVHZ-CGICMKJESA-N 1 2 285.391 2.440 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCC(C)(C)C#N ZINC000355858937 534678202 /nfs/dbraw/zinc/67/82/02/534678202.db2.gz FDHMWAMTJBYHTJ-UHFFFAOYSA-N 1 2 284.363 2.401 20 30 CEEDLO C=CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246384395 534848962 /nfs/dbraw/zinc/84/89/62/534848962.db2.gz JGAPUICOGVXCTE-NWDGAFQWSA-N 1 2 253.367 2.058 20 30 CEEDLO C=CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246384395 534848965 /nfs/dbraw/zinc/84/89/65/534848965.db2.gz JGAPUICOGVXCTE-NWDGAFQWSA-N 1 2 253.367 2.058 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1c([N+](=O)[O-])ncn1C ZINC000352701288 526325099 /nfs/dbraw/zinc/32/50/99/526325099.db2.gz HNWPGHHPVUAANR-UHFFFAOYSA-N 1 2 290.323 2.152 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1c([N+](=O)[O-])ncn1C ZINC000352701288 526325106 /nfs/dbraw/zinc/32/51/06/526325106.db2.gz HNWPGHHPVUAANR-UHFFFAOYSA-N 1 2 290.323 2.152 20 30 CEEDLO C=C(C)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347252184 526490043 /nfs/dbraw/zinc/49/00/43/526490043.db2.gz CAOIPTJTCCLXFS-GFCCVEGCSA-N 1 2 262.357 2.089 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCC ZINC000352804727 526561855 /nfs/dbraw/zinc/56/18/55/526561855.db2.gz QIDJWKUTMQRDLZ-CYBMUJFWSA-N 1 2 294.395 2.065 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCCC ZINC000352804727 526561861 /nfs/dbraw/zinc/56/18/61/526561861.db2.gz QIDJWKUTMQRDLZ-CYBMUJFWSA-N 1 2 294.395 2.065 20 30 CEEDLO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000370772280 526727214 /nfs/dbraw/zinc/72/72/14/526727214.db2.gz ISEDGQLNIUURSV-CQSZACIVSA-N 1 2 284.319 2.157 20 30 CEEDLO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000370772280 526727215 /nfs/dbraw/zinc/72/72/15/526727215.db2.gz ISEDGQLNIUURSV-CQSZACIVSA-N 1 2 284.319 2.157 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)C#N ZINC000055116228 527167795 /nfs/dbraw/zinc/16/77/95/527167795.db2.gz WHUZXPJQIZYQRV-UHFFFAOYSA-N 1 2 270.336 2.011 20 30 CEEDLO C=C[C@@H](C)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000354833883 527400813 /nfs/dbraw/zinc/40/08/13/527400813.db2.gz YJEKSVZYTNRMKN-LLVKDONJSA-N 1 2 257.337 2.426 20 30 CEEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330236737 527914534 /nfs/dbraw/zinc/91/45/34/527914534.db2.gz AJHFMYKIDOQVAE-GZBFAFLISA-N 1 2 291.395 2.463 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(C#N)CCC1)C2 ZINC000336072221 528322911 /nfs/dbraw/zinc/32/29/11/528322911.db2.gz UZYDZQYMNOIJTN-NSHDSACASA-N 1 2 286.379 2.200 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(C#N)CCC1)CC2 ZINC000336072221 528322917 /nfs/dbraw/zinc/32/29/17/528322917.db2.gz UZYDZQYMNOIJTN-NSHDSACASA-N 1 2 286.379 2.200 20 30 CEEDLO CC1(C)CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)O1 ZINC000330245029 529039003 /nfs/dbraw/zinc/03/90/03/529039003.db2.gz KNLXDLAJCUINNZ-DGCLKSJQSA-N 1 2 277.368 2.360 20 30 CEEDLO CC[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330196068 529308773 /nfs/dbraw/zinc/30/87/73/529308773.db2.gz PREMZCLZAZNDCZ-AGIUHOORSA-N 1 2 276.384 2.280 20 30 CEEDLO CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330196068 529308775 /nfs/dbraw/zinc/30/87/75/529308775.db2.gz PREMZCLZAZNDCZ-AGIUHOORSA-N 1 2 276.384 2.280 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)C(C)C ZINC000726691400 574429076 /nfs/dbraw/zinc/42/90/76/574429076.db2.gz CXWWMPCAAJASRF-UHFFFAOYSA-N 1 2 297.420 2.365 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)C(C)C ZINC000726691400 574429077 /nfs/dbraw/zinc/42/90/77/574429077.db2.gz CXWWMPCAAJASRF-UHFFFAOYSA-N 1 2 297.420 2.365 20 30 CEEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787174 575234132 /nfs/dbraw/zinc/23/41/32/575234132.db2.gz FRUDZYNNTGBNJV-SNVBAGLBSA-N 1 2 297.786 2.282 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C)c1C ZINC000730094824 574501244 /nfs/dbraw/zinc/50/12/44/574501244.db2.gz RJPDFTPETNFQDW-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C)c1C ZINC000730094824 574501245 /nfs/dbraw/zinc/50/12/45/574501245.db2.gz RJPDFTPETNFQDW-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000746663202 574509418 /nfs/dbraw/zinc/50/94/18/574509418.db2.gz OPUVUMOPXKIYLN-YGRLFVJLSA-N 1 2 250.317 2.259 20 30 CEEDLO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000746663202 574509419 /nfs/dbraw/zinc/50/94/19/574509419.db2.gz OPUVUMOPXKIYLN-YGRLFVJLSA-N 1 2 250.317 2.259 20 30 CEEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2ccc(F)cc2)no1 ZINC000731445703 574596535 /nfs/dbraw/zinc/59/65/35/574596535.db2.gz UPCFLAWCNIRJHU-UHFFFAOYSA-N 1 2 292.314 2.343 20 30 CEEDLO Cc1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)ncn1 ZINC000731934470 574607287 /nfs/dbraw/zinc/60/72/87/574607287.db2.gz BHWPBRQWKVMGDQ-UHFFFAOYSA-N 1 2 297.362 2.068 20 30 CEEDLO CN(C)c1ccc(C=[NH+]Nc2cccnn2)cc1F ZINC000735974731 574772851 /nfs/dbraw/zinc/77/28/51/574772851.db2.gz MWEVULVSJKHWPS-UHFFFAOYSA-N 1 2 259.288 2.128 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN=Nc3nccnc3Cl)n2c1 ZINC000736431237 574787824 /nfs/dbraw/zinc/78/78/24/574787824.db2.gz ZGGMZRAFISMTQX-UHFFFAOYSA-N 1 2 297.709 2.095 20 30 CEEDLO Cc1cccn2cc(COC(=O)C3(C#N)CCC3)[nH+]c12 ZINC000736841780 574798210 /nfs/dbraw/zinc/79/82/10/574798210.db2.gz LTURWSCULNLINH-UHFFFAOYSA-N 1 2 269.304 2.380 20 30 CEEDLO C=CCc1cc(OCC)cc(C[NH+]2CC(OC)C2)c1O ZINC000738224730 574854578 /nfs/dbraw/zinc/85/45/78/574854578.db2.gz JCJDWFFBMIKOTJ-UHFFFAOYSA-N 1 2 277.364 2.350 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC)cc1 ZINC000739772377 574933109 /nfs/dbraw/zinc/93/31/09/574933109.db2.gz WKROPTONSADOFF-INIZCTEOSA-N 1 2 286.375 2.146 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC)cc1 ZINC000739772377 574933111 /nfs/dbraw/zinc/93/31/11/574933111.db2.gz WKROPTONSADOFF-INIZCTEOSA-N 1 2 286.375 2.146 20 30 CEEDLO COC(=O)/C(C)=C\C[N@H+](CCC#N)CC(C)(C)C ZINC000746505699 575157944 /nfs/dbraw/zinc/15/79/44/575157944.db2.gz OKTNUPPWCAPRTK-GHXNOFRVSA-N 1 2 252.358 2.367 20 30 CEEDLO COC(=O)/C(C)=C\C[N@@H+](CCC#N)CC(C)(C)C ZINC000746505699 575157945 /nfs/dbraw/zinc/15/79/45/575157945.db2.gz OKTNUPPWCAPRTK-GHXNOFRVSA-N 1 2 252.358 2.367 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000747621907 575172584 /nfs/dbraw/zinc/17/25/84/575172584.db2.gz GKQQFJICEXQXJE-LLVKDONJSA-N 1 2 257.293 2.255 20 30 CEEDLO COc1cc(C)nc(N=NCc2c(C)[nH+]c3ccccn32)n1 ZINC000747635007 575172868 /nfs/dbraw/zinc/17/28/68/575172868.db2.gz QTZBJARNMPDZFH-UHFFFAOYSA-N 1 2 296.334 2.196 20 30 CEEDLO Oc1ccc(/C=[NH+]\C[C@@H]2COc3ccccc3C2)c(O)c1O ZINC000747713199 575173994 /nfs/dbraw/zinc/17/39/94/575173994.db2.gz QCCXOKUZMQYSHX-RGVUVNHFSA-N 1 2 299.326 2.474 20 30 CEEDLO Cc1ccc(NC(=O)N(C)C[C@@H](C)C#N)c(N(C)C)[nH+]1 ZINC000750410097 575261888 /nfs/dbraw/zinc/26/18/88/575261888.db2.gz AVNLMTNQKGPEED-JTQLQIEISA-N 1 2 275.356 2.079 20 30 CEEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccc(C#N)cn23)no1 ZINC000752875520 575315999 /nfs/dbraw/zinc/31/59/99/575315999.db2.gz HOJMLTXZDYPSED-ARJAWSKDSA-N 1 2 278.271 2.399 20 30 CEEDLO CC[C@](O)(C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000931474434 628621468 /nfs/dbraw/zinc/62/14/68/628621468.db2.gz FWIMNDCSSGMHCQ-VWYCJHECSA-N 1 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/nfs/dbraw/zinc/27/98/52/613279852.db2.gz BQGWYENMIUJVGU-SFHVURJKSA-N 1 2 294.398 2.301 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000948966451 613279997 /nfs/dbraw/zinc/27/99/97/613279997.db2.gz ZOXMTFCTXQTDER-OLMNPRSZSA-N 1 2 296.414 2.381 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000948966451 613279999 /nfs/dbraw/zinc/27/99/99/613279999.db2.gz ZOXMTFCTXQTDER-OLMNPRSZSA-N 1 2 296.414 2.381 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC000957059245 613294941 /nfs/dbraw/zinc/29/49/41/613294941.db2.gz PMAPRDYUYVVIBF-LSDHHAIUSA-N 1 2 264.413 2.387 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC000950595186 613295050 /nfs/dbraw/zinc/29/50/50/613295050.db2.gz JDTCDQUVWYVAHM-GFCCVEGCSA-N 1 2 272.339 2.141 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000948601817 613320385 /nfs/dbraw/zinc/32/03/85/613320385.db2.gz SEMOHARPANRQSX-UHFFFAOYSA-N 1 2 273.336 2.095 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000957095404 613322247 /nfs/dbraw/zinc/32/22/47/613322247.db2.gz WNGJRNYCAXERRF-UHFFFAOYSA-N 1 2 277.368 2.132 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C)nc2)C1 ZINC000969301438 613371685 /nfs/dbraw/zinc/37/16/85/613371685.db2.gz GZMZYBSEJLKIEU-GFCCVEGCSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C)n2C)C1 ZINC000969298675 613371740 /nfs/dbraw/zinc/37/17/40/613371740.db2.gz QYBNQGSWZKUUHF-GFCCVEGCSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncccc2F)C1 ZINC000970644639 613372542 /nfs/dbraw/zinc/37/25/42/613372542.db2.gz DOEJIYPTDKRYGJ-JTQLQIEISA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000981056589 613373748 /nfs/dbraw/zinc/37/37/48/613373748.db2.gz VPVHJKWTOQWBGR-QWRGUYRKSA-N 1 2 292.757 2.174 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000981056589 613373749 /nfs/dbraw/zinc/37/37/49/613373749.db2.gz VPVHJKWTOQWBGR-QWRGUYRKSA-N 1 2 292.757 2.174 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)C)C1 ZINC000965243478 613377648 /nfs/dbraw/zinc/37/76/48/613377648.db2.gz GHFMJAHQRVQKAQ-JQWIXIFHSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)C)C1 ZINC000965243478 613377649 /nfs/dbraw/zinc/37/76/49/613377649.db2.gz GHFMJAHQRVQKAQ-JQWIXIFHSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C[C@@H](C(=O)N1CC[NH+](CC#CC)CC1)c1ccccc1 ZINC000957744160 613440882 /nfs/dbraw/zinc/44/08/82/613440882.db2.gz LMGCALXODGSIPJ-QGZVFWFLSA-N 1 2 282.387 2.124 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC000949201071 613561658 /nfs/dbraw/zinc/56/16/58/613561658.db2.gz DMAPGPHXRXJVRG-UHFFFAOYSA-N 1 2 284.403 2.095 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000957545921 613562617 /nfs/dbraw/zinc/56/26/17/613562617.db2.gz LJUSIFMWWDXUKC-MRXNPFEDSA-N 1 2 284.403 2.348 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000949185368 613566857 /nfs/dbraw/zinc/56/68/57/613566857.db2.gz BALUXXVPOJQWDZ-UHFFFAOYSA-N 1 2 295.386 2.257 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC000951383380 613654770 /nfs/dbraw/zinc/65/47/70/613654770.db2.gz PZBQTQRBXMPCCE-MRXNPFEDSA-N 1 2 288.366 2.184 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000949670804 613707117 /nfs/dbraw/zinc/70/71/17/613707117.db2.gz YOHNOWHXKFHZQJ-UHFFFAOYSA-N 1 2 252.402 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2nc3ccccc3o2)CC1 ZINC000957623764 613708354 /nfs/dbraw/zinc/70/83/54/613708354.db2.gz QUSZVRJARSBFAZ-UHFFFAOYSA-N 1 2 299.374 2.091 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC000957744331 613712409 /nfs/dbraw/zinc/71/24/09/613712409.db2.gz QZXYDWHEXUYMLI-MRXNPFEDSA-N 1 2 270.376 2.286 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000950099372 613712565 /nfs/dbraw/zinc/71/25/65/613712565.db2.gz MVCXWOJVFXNWIS-KBPBESRZSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cnccc3c2)CC1 ZINC000957088622 613716447 /nfs/dbraw/zinc/71/64/47/613716447.db2.gz PDKCYEWUACLZNE-UHFFFAOYSA-N 1 2 281.359 2.179 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc3ccncc32)CC1 ZINC000957028908 613717021 /nfs/dbraw/zinc/71/70/21/613717021.db2.gz KIOIBANATDGFBB-UHFFFAOYSA-N 1 2 281.359 2.179 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C)c2C)CC1 ZINC000957521115 613717081 /nfs/dbraw/zinc/71/70/81/613717081.db2.gz DZMYEJOVPQIPLS-UHFFFAOYSA-N 1 2 258.365 2.247 20 30 CEEDLO CC1(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000949348114 614878487 /nfs/dbraw/zinc/87/84/87/614878487.db2.gz SECIONVAXDXURD-UHFFFAOYSA-N 1 2 297.402 2.393 20 30 CEEDLO CN(C)c1cc(N(C)Cc2ccc(C#N)cc2)nc[nH+]1 ZINC000891743938 623938828 /nfs/dbraw/zinc/93/88/28/623938828.db2.gz MHFRYIQMEGZKCF-UHFFFAOYSA-N 1 2 267.336 2.051 20 30 CEEDLO CN(C)c1cc(N(C)Cc2ccc(C#N)cc2)[nH+]cn1 ZINC000891743938 623938831 /nfs/dbraw/zinc/93/88/31/623938831.db2.gz MHFRYIQMEGZKCF-UHFFFAOYSA-N 1 2 267.336 2.051 20 30 CEEDLO C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776265 624002225 /nfs/dbraw/zinc/00/22/25/624002225.db2.gz WPBCOCIYXCBODH-LBPRGKRZSA-N 1 2 291.420 2.453 20 30 CEEDLO C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776265 624002231 /nfs/dbraw/zinc/00/22/31/624002231.db2.gz WPBCOCIYXCBODH-LBPRGKRZSA-N 1 2 291.420 2.453 20 30 CEEDLO C=CC(C)(C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000891990130 624233966 /nfs/dbraw/zinc/23/39/66/624233966.db2.gz ORVDRBARKFRWBU-UHFFFAOYSA-N 1 2 276.384 2.026 20 30 CEEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000892230073 624440136 /nfs/dbraw/zinc/44/01/36/624440136.db2.gz YFSFCWPWOCNGBR-GFCCVEGCSA-N 1 2 287.392 2.426 20 30 CEEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000892230073 624440137 /nfs/dbraw/zinc/44/01/37/624440137.db2.gz YFSFCWPWOCNGBR-GFCCVEGCSA-N 1 2 287.392 2.426 20 30 CEEDLO Cc1[nH]c(CNC(=O)c2cc(C#N)ccc2C)[nH+]c1C ZINC000934426691 624491834 /nfs/dbraw/zinc/49/18/34/624491834.db2.gz XLPNEDCXJKDEHY-UHFFFAOYSA-N 1 2 268.320 2.137 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000934511028 624550120 /nfs/dbraw/zinc/55/01/20/624550120.db2.gz HHBSMYZESITXMM-AWEZNQCLSA-N 1 2 272.348 2.121 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(OC)c1 ZINC000934511028 624550123 /nfs/dbraw/zinc/55/01/23/624550123.db2.gz HHBSMYZESITXMM-AWEZNQCLSA-N 1 2 272.348 2.121 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001017583713 627332975 /nfs/dbraw/zinc/33/29/75/627332975.db2.gz QQKVYJBZKVSFSY-GASCZTMLSA-N 1 2 276.424 2.367 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001017583713 627332978 /nfs/dbraw/zinc/33/29/78/627332978.db2.gz QQKVYJBZKVSFSY-GASCZTMLSA-N 1 2 276.424 2.367 20 30 CEEDLO Cc1cc(C#N)nc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000892964072 627903708 /nfs/dbraw/zinc/90/37/08/627903708.db2.gz YFRVAEIZXAVZNP-ZDUSSCGKSA-N 1 2 279.347 2.348 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001009837298 628701001 /nfs/dbraw/zinc/70/10/01/628701001.db2.gz BIGLWKKPICVJPS-QGZVFWFLSA-N 1 2 297.402 2.439 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001009837298 628701004 /nfs/dbraw/zinc/70/10/04/628701004.db2.gz BIGLWKKPICVJPS-QGZVFWFLSA-N 1 2 297.402 2.439 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]CC(C)(C)C#N)c(F)c1 ZINC000893552218 628734547 /nfs/dbraw/zinc/73/45/47/628734547.db2.gz SCVRLTUXLSZBIA-UHFFFAOYSA-N 1 2 264.300 2.252 20 30 CEEDLO C[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980656572 628795786 /nfs/dbraw/zinc/79/57/86/628795786.db2.gz KWWBDLHULQDYIM-SJLPKXTDSA-N 1 2 296.414 2.228 20 30 CEEDLO C[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980656572 628795789 /nfs/dbraw/zinc/79/57/89/628795789.db2.gz KWWBDLHULQDYIM-SJLPKXTDSA-N 1 2 296.414 2.228 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000932165772 628981914 /nfs/dbraw/zinc/98/19/14/628981914.db2.gz PXXDOXNOSUQNAM-STQMWFEESA-N 1 2 294.782 2.315 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000932165772 628981915 /nfs/dbraw/zinc/98/19/15/628981915.db2.gz PXXDOXNOSUQNAM-STQMWFEESA-N 1 2 294.782 2.315 20 30 CEEDLO CCC#CCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000893840720 629014504 /nfs/dbraw/zinc/01/45/04/629014504.db2.gz UWLORUJXHKUUMK-UHFFFAOYSA-N 1 2 282.343 2.431 20 30 CEEDLO COc1cc(CNc2cc(N(C)C)nc[nH+]2)ccc1C#N ZINC000893910069 629042501 /nfs/dbraw/zinc/04/25/01/629042501.db2.gz CHXYDHMGCIRZQZ-UHFFFAOYSA-N 1 2 283.335 2.035 20 30 CEEDLO COc1cc(CNc2cc(N(C)C)[nH+]cn2)ccc1C#N ZINC000893910069 629042503 /nfs/dbraw/zinc/04/25/03/629042503.db2.gz CHXYDHMGCIRZQZ-UHFFFAOYSA-N 1 2 283.335 2.035 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000894309167 629335347 /nfs/dbraw/zinc/33/53/47/629335347.db2.gz OGRJAFSVUUFTHH-CYBMUJFWSA-N 1 2 276.384 2.196 20 30 CEEDLO Cc1cc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000894370680 629399949 /nfs/dbraw/zinc/39/99/49/629399949.db2.gz ZMVYWLKVRAIMJZ-KBPBESRZSA-N 1 2 299.422 2.475 20 30 CEEDLO CC[C@@H]([NH2+]CC1(C)COC1)c1cccc(C#N)c1O ZINC000925050019 629410833 /nfs/dbraw/zinc/41/08/33/629410833.db2.gz VLJZJXOZEKPQJZ-CYBMUJFWSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894446255 629466026 /nfs/dbraw/zinc/46/60/26/629466026.db2.gz UIDXSGRXFDOSRD-OAHLLOKOSA-N 1 2 270.336 2.394 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894446255 629466031 /nfs/dbraw/zinc/46/60/31/629466031.db2.gz UIDXSGRXFDOSRD-OAHLLOKOSA-N 1 2 270.336 2.394 20 30 CEEDLO C#C[C@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccc(F)cc1 ZINC000894575695 629540680 /nfs/dbraw/zinc/54/06/80/629540680.db2.gz UULUKQSGNIWNHK-HNNXBMFYSA-N 1 2 299.349 2.096 20 30 CEEDLO COC(=O)c1c(C[NH2+]CCC#N)c2cc(F)ccc2n1C ZINC000894580249 629544017 /nfs/dbraw/zinc/54/40/17/629544017.db2.gz SBYJZLYAMOLRCY-UHFFFAOYSA-N 1 2 289.310 2.107 20 30 CEEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000894681609 629585771 /nfs/dbraw/zinc/58/57/71/629585771.db2.gz MCRAVMXAAKYMMQ-LBPRGKRZSA-N 1 2 293.392 2.282 20 30 CEEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894681609 629585774 /nfs/dbraw/zinc/58/57/74/629585774.db2.gz MCRAVMXAAKYMMQ-LBPRGKRZSA-N 1 2 293.392 2.282 20 30 CEEDLO C#CCCC[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796087719 629768463 /nfs/dbraw/zinc/76/84/63/629768463.db2.gz UNTBTIZIWBHAKY-UHFFFAOYSA-N 1 2 256.349 2.057 20 30 CEEDLO C#CCCC[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796087719 629768470 /nfs/dbraw/zinc/76/84/70/629768470.db2.gz UNTBTIZIWBHAKY-UHFFFAOYSA-N 1 2 256.349 2.057 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1 ZINC000796639368 629953701 /nfs/dbraw/zinc/95/37/01/629953701.db2.gz KQUOOFLVKSWGGP-HNNXBMFYSA-N 1 2 272.392 2.283 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1 ZINC000796639368 629953708 /nfs/dbraw/zinc/95/37/08/629953708.db2.gz KQUOOFLVKSWGGP-HNNXBMFYSA-N 1 2 272.392 2.283 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@@H](C)C#N ZINC000796777870 630000558 /nfs/dbraw/zinc/00/05/58/630000558.db2.gz QWYQHDOPPKITCL-QMMMGPOBSA-N 1 2 293.273 2.326 20 30 CEEDLO COc1nccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC000895313312 630104380 /nfs/dbraw/zinc/10/43/80/630104380.db2.gz FVQDHZNYXLTZOU-NSHDSACASA-N 1 2 263.316 2.355 20 30 CEEDLO COc1nccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC000895313312 630104384 /nfs/dbraw/zinc/10/43/84/630104384.db2.gz FVQDHZNYXLTZOU-NSHDSACASA-N 1 2 263.316 2.355 20 30 CEEDLO N#Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000895353038 630133262 /nfs/dbraw/zinc/13/32/62/630133262.db2.gz REMRPMJTJZKTPH-UHFFFAOYSA-N 1 2 279.347 2.429 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@@H]1SC)C(=O)OCC ZINC000895592055 630268508 /nfs/dbraw/zinc/26/85/08/630268508.db2.gz KTZASCRZDPPAGA-WOPDTQHZSA-N 1 2 257.399 2.368 20 30 CEEDLO C#CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CC1 ZINC000821960549 634830283 /nfs/dbraw/zinc/83/02/83/634830283.db2.gz JDDJVYNEZHWGKS-AWEZNQCLSA-N 1 2 259.353 2.095 20 30 CEEDLO Cc1cnc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)o1 ZINC000896650730 630624657 /nfs/dbraw/zinc/62/46/57/630624657.db2.gz MAVFAOLHAMMQTO-AWEZNQCLSA-N 1 2 297.362 2.326 20 30 CEEDLO Cc1cnc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)o1 ZINC000896650730 630624660 /nfs/dbraw/zinc/62/46/60/630624660.db2.gz MAVFAOLHAMMQTO-AWEZNQCLSA-N 1 2 297.362 2.326 20 30 CEEDLO Cc1[nH]c(CNC(=O)C(C)(C)c2ccc(C#N)cc2)[nH+]c1C ZINC000896905270 630783973 /nfs/dbraw/zinc/78/39/73/630783973.db2.gz DIOWJCFIRWRXGT-UHFFFAOYSA-N 1 2 296.374 2.492 20 30 CEEDLO CC#CC[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000897167355 630968263 /nfs/dbraw/zinc/96/82/63/630968263.db2.gz ZINJABFKQUALSK-UHFFFAOYSA-N 1 2 278.308 2.067 20 30 CEEDLO CC#CC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000897167355 630968266 /nfs/dbraw/zinc/96/82/66/630968266.db2.gz ZINJABFKQUALSK-UHFFFAOYSA-N 1 2 278.308 2.067 20 30 CEEDLO CC#CC[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000897167282 630968486 /nfs/dbraw/zinc/96/84/86/630968486.db2.gz JFLDJFMWLSNSHC-GFCCVEGCSA-N 1 2 250.367 2.450 20 30 CEEDLO CC#CC[N@@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000897167282 630968489 /nfs/dbraw/zinc/96/84/89/630968489.db2.gz JFLDJFMWLSNSHC-GFCCVEGCSA-N 1 2 250.367 2.450 20 30 CEEDLO Cc1cccc(F)c1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000799484849 631032269 /nfs/dbraw/zinc/03/22/69/631032269.db2.gz JGGLSLGDQOUKCK-GFCCVEGCSA-N 1 2 261.300 2.297 20 30 CEEDLO CCn1c[nH+]c2c1CCN(Cc1ccc(C#N)c(OC)c1)C2 ZINC000897334622 631135662 /nfs/dbraw/zinc/13/56/62/631135662.db2.gz XVUVLYMVKYNBCW-UHFFFAOYSA-N 1 2 296.374 2.342 20 30 CEEDLO C[C@H](C#N)OCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000801911945 631351777 /nfs/dbraw/zinc/35/17/77/631351777.db2.gz FDUSNPFITRLVTE-CTEOGUNLSA-N 1 2 299.418 2.246 20 30 CEEDLO C=CCOc1ccccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240470 631411325 /nfs/dbraw/zinc/41/13/25/631411325.db2.gz AOSJUOHKKUASFE-CYBMUJFWSA-N 1 2 293.338 2.452 20 30 CEEDLO C=CCOc1ccccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802240470 631411328 /nfs/dbraw/zinc/41/13/28/631411328.db2.gz AOSJUOHKKUASFE-CYBMUJFWSA-N 1 2 293.338 2.452 20 30 CEEDLO C=CCC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000321536122 631415805 /nfs/dbraw/zinc/41/58/05/631415805.db2.gz ZKNIZGZDFYTQQE-NSHDSACASA-N 1 2 255.745 2.462 20 30 CEEDLO Cn1cc[nH+]c1CCCOC(=O)c1cccc(CC#N)c1 ZINC000802785014 631459303 /nfs/dbraw/zinc/45/93/03/631459303.db2.gz WMHGUDQGVSGBDZ-UHFFFAOYSA-N 1 2 283.331 2.276 20 30 CEEDLO C[C@@H]1CCN(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000840039261 631662658 /nfs/dbraw/zinc/66/26/58/631662658.db2.gz TYLHHHYOTFFYTL-CQSZACIVSA-N 1 2 295.386 2.473 20 30 CEEDLO C[C@@H]1CCN(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000840039261 631662662 /nfs/dbraw/zinc/66/26/62/631662662.db2.gz TYLHHHYOTFFYTL-CQSZACIVSA-N 1 2 295.386 2.473 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(OCC#N)cc1 ZINC000148706162 631851841 /nfs/dbraw/zinc/85/18/41/631851841.db2.gz LUYZXEGXWNNVCH-LLVKDONJSA-N 1 2 257.293 2.428 20 30 CEEDLO Cc1cc([N+](=O)[O-])ccc1N[NH2+]C1=CC(=O)N2CCC[C@@H]12 ZINC000807991004 631898349 /nfs/dbraw/zinc/89/83/49/631898349.db2.gz QHSIQKGJAYUAEN-ZDUSSCGKSA-N 1 2 288.307 2.066 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230825 631938798 /nfs/dbraw/zinc/93/87/98/631938798.db2.gz QUYVQQIHBTUGFY-GFCCVEGCSA-N 1 2 291.424 2.097 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1=S ZINC000808230825 631938803 /nfs/dbraw/zinc/93/88/03/631938803.db2.gz QUYVQQIHBTUGFY-GFCCVEGCSA-N 1 2 291.424 2.097 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc(OC)c1O ZINC000898193952 632108365 /nfs/dbraw/zinc/10/83/65/632108365.db2.gz TWHWPIFCZYFRDM-KGLIPLIRSA-N 1 2 295.354 2.034 20 30 CEEDLO C=CCc1cc(C[N@H+]2CC[C@H](O)[C@H](F)C2)cc(OC)c1O ZINC000898193952 632108369 /nfs/dbraw/zinc/10/83/69/632108369.db2.gz TWHWPIFCZYFRDM-KGLIPLIRSA-N 1 2 295.354 2.034 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000989609332 632211292 /nfs/dbraw/zinc/21/12/92/632211292.db2.gz XEEAMDIULANOMF-UHFFFAOYSA-N 1 2 288.416 2.018 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000989609332 632211295 /nfs/dbraw/zinc/21/12/95/632211295.db2.gz XEEAMDIULANOMF-UHFFFAOYSA-N 1 2 288.416 2.018 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCc2cc(C)n(C)n2)c1O ZINC000899226771 632743175 /nfs/dbraw/zinc/74/31/75/632743175.db2.gz YNVHGQVGOVHAPY-GZTJUZNOSA-N 1 2 287.363 2.494 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCc2cc(C)n(C)n2)c(O)c1 ZINC000899226680 632743544 /nfs/dbraw/zinc/74/35/44/632743544.db2.gz WVOSWFWSNWIOAL-BOPFTXTBSA-N 1 2 287.363 2.494 20 30 CEEDLO C#CCOc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814179257 632800854 /nfs/dbraw/zinc/80/08/54/632800854.db2.gz BCQRFOHCABCGAJ-HNNXBMFYSA-N 1 2 287.359 2.225 20 30 CEEDLO C#CCOc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814179257 632800856 /nfs/dbraw/zinc/80/08/56/632800856.db2.gz BCQRFOHCABCGAJ-HNNXBMFYSA-N 1 2 287.359 2.225 20 30 CEEDLO C#CC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000826714560 635825893 /nfs/dbraw/zinc/82/58/93/635825893.db2.gz CZOCHQPMIPHXAR-UHFFFAOYSA-N 1 2 252.321 2.062 20 30 CEEDLO Cc1ccc(F)c(N[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814872659 632911409 /nfs/dbraw/zinc/91/14/09/632911409.db2.gz UKJLWNHDZVTBIM-UHFFFAOYSA-N 1 2 273.315 2.436 20 30 CEEDLO COCCCO[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814931270 632933455 /nfs/dbraw/zinc/93/34/55/632933455.db2.gz AEZNZKZPYFEFHB-UHFFFAOYSA-N 1 2 283.397 2.455 20 30 CEEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2cnnn2C)cc1 ZINC000814980630 632946089 /nfs/dbraw/zinc/94/60/89/632946089.db2.gz GOOMXIJYVVCYDP-UHFFFAOYSA-N 1 2 272.356 2.107 20 30 CEEDLO C=C1C[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000899900371 633084462 /nfs/dbraw/zinc/08/44/62/633084462.db2.gz OZURUPOCYKAOFZ-LBPRGKRZSA-N 1 2 287.281 2.317 20 30 CEEDLO C=CC[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)C(=O)OC ZINC000901632642 634217564 /nfs/dbraw/zinc/21/75/64/634217564.db2.gz YIBRIOOGADZOIT-HZPDHXFCSA-N 1 2 289.375 2.398 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)[O-] ZINC000901689854 634250701 /nfs/dbraw/zinc/25/07/01/634250701.db2.gz HGVWVHBXZZWOFW-ZDUSSCGKSA-N 1 2 291.376 2.443 20 30 CEEDLO 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C#CCn1ccc(C[N@H+](CC)Cc2ccnc(C)c2)n1 ZINC000856739865 644707566 /nfs/dbraw/zinc/70/75/66/644707566.db2.gz JXXGBKLBLUASOT-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)c(C)cc2F)CC1 ZINC000758154709 644889715 /nfs/dbraw/zinc/88/97/15/644889715.db2.gz JGKHEEKUQHIDOY-UHFFFAOYSA-N 1 2 292.329 2.054 20 30 CEEDLO Cc1ccc(C[N@H+](C)Cn2cccc(C#N)c2=O)s1 ZINC000758218775 644902142 /nfs/dbraw/zinc/90/21/42/644902142.db2.gz CNVQMGLLVOAIGH-UHFFFAOYSA-N 1 2 273.361 2.179 20 30 CEEDLO Cc1ccc(C[N@@H+](C)Cn2cccc(C#N)c2=O)s1 ZINC000758218775 644902144 /nfs/dbraw/zinc/90/21/44/644902144.db2.gz CNVQMGLLVOAIGH-UHFFFAOYSA-N 1 2 273.361 2.179 20 30 CEEDLO C#CC[N@@H+](CCN(C#N)CC)Cc1ccc(F)cc1 ZINC000878000631 650970975 /nfs/dbraw/zinc/97/09/75/650970975.db2.gz CXDGBFTYJSNPEW-UHFFFAOYSA-N 1 2 259.328 2.064 20 30 CEEDLO C#CC[N@H+](CCN(C#N)CC)Cc1ccc(F)cc1 ZINC000878000631 650970977 /nfs/dbraw/zinc/97/09/77/650970977.db2.gz CXDGBFTYJSNPEW-UHFFFAOYSA-N 1 2 259.328 2.064 20 30 CEEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857977248 645029344 /nfs/dbraw/zinc/02/93/44/645029344.db2.gz TUEJAZNBVYSXPV-OAHLLOKOSA-N 1 2 295.342 2.160 20 30 CEEDLO N#C[C@H](CCc1ccccc1)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981634 645034160 /nfs/dbraw/zinc/03/41/60/645034160.db2.gz HSPXXQJCGJPSPI-LSDHHAIUSA-N 1 2 294.358 2.217 20 30 CEEDLO N#Cc1ccc(SCC(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857986731 645037877 /nfs/dbraw/zinc/03/78/77/645037877.db2.gz PVEQDCKXPDLVKL-CYBMUJFWSA-N 1 2 298.371 2.108 20 30 CEEDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccncc3C#N)C2)nc1 ZINC000858044516 645051786 /nfs/dbraw/zinc/05/17/86/645051786.db2.gz IEGDMUHZSYKBRY-INIZCTEOSA-N 1 2 294.358 2.310 20 30 CEEDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)nc1 ZINC000858044516 645051790 /nfs/dbraw/zinc/05/17/90/645051790.db2.gz IEGDMUHZSYKBRY-INIZCTEOSA-N 1 2 294.358 2.310 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000760219755 645121749 /nfs/dbraw/zinc/12/17/49/645121749.db2.gz VSRDFNPBRIGTSJ-UHFFFAOYSA-N 1 2 282.796 2.183 20 30 CEEDLO C#CCCOC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000858925548 645296802 /nfs/dbraw/zinc/29/68/02/645296802.db2.gz JEVBSZTUSIUHMR-UHFFFAOYSA-N 1 2 276.336 2.299 20 30 CEEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000761881999 645333337 /nfs/dbraw/zinc/33/33/37/645333337.db2.gz UQZQIKUDSBJUED-UHFFFAOYSA-N 1 2 257.341 2.322 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccncc1Br)[C@H]1CCCO1 ZINC000859258774 645439357 /nfs/dbraw/zinc/43/93/57/645439357.db2.gz SXJWWMRPTFAQKA-CHWSQXEVSA-N 1 2 295.180 2.115 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000859589186 645529677 /nfs/dbraw/zinc/52/96/77/645529677.db2.gz PAGCGUCBINOEGI-INIZCTEOSA-N 1 2 299.399 2.498 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000859589186 645529680 /nfs/dbraw/zinc/52/96/80/645529680.db2.gz PAGCGUCBINOEGI-INIZCTEOSA-N 1 2 299.399 2.498 20 30 CEEDLO FC(F)(F)CO[NH+]=Cc1ccccc1N1CCOCC1 ZINC000764844215 645697976 /nfs/dbraw/zinc/69/79/76/645697976.db2.gz ITXMOHUQRVMQII-UHFFFAOYSA-N 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IGSORDOBOLKHEC-ZDUSSCGKSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cccc(C#N)c1F ZINC000774959446 646911351 /nfs/dbraw/zinc/91/13/51/646911351.db2.gz IGSORDOBOLKHEC-ZDUSSCGKSA-N 1 2 276.311 2.225 20 30 CEEDLO COCC#CCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000775680534 646980235 /nfs/dbraw/zinc/98/02/35/646980235.db2.gz GORNYBKVTGZOMF-UHFFFAOYSA-N 1 2 266.728 2.031 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)[C@H]1CCCO1 ZINC000775796237 646994444 /nfs/dbraw/zinc/99/44/44/646994444.db2.gz UEQPCEATTYRODP-IAGOWNOFSA-N 1 2 299.349 2.282 20 30 CEEDLO C#CCOc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000775940664 647009599 /nfs/dbraw/zinc/00/95/99/647009599.db2.gz SBZZZICQWBZFDT-UHFFFAOYSA-N 1 2 283.331 2.314 20 30 CEEDLO CCCCCC[N@H+](C)CC(=O)[C@H](C#N)c1ccncn1 ZINC000778724195 647256983 /nfs/dbraw/zinc/25/69/83/647256983.db2.gz PFQXLHBCJIJYRC-CYBMUJFWSA-N 1 2 274.368 2.165 20 30 CEEDLO CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)c1ccncn1 ZINC000778724195 647256989 /nfs/dbraw/zinc/25/69/89/647256989.db2.gz PFQXLHBCJIJYRC-CYBMUJFWSA-N 1 2 274.368 2.165 20 30 CEEDLO CC(=NN[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000780258590 647406322 /nfs/dbraw/zinc/40/63/22/647406322.db2.gz SDHWFGMMJRVJFY-OAHLLOKOSA-N 1 2 284.363 2.365 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2cn3cccc(F)c3n2)nc1 ZINC000780557077 647444646 /nfs/dbraw/zinc/44/46/46/647444646.db2.gz TVIJEHUWOONONS-UHFFFAOYSA-N 1 2 281.294 2.030 20 30 CEEDLO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866272042 647709362 /nfs/dbraw/zinc/70/93/62/647709362.db2.gz ISMPEZUPBVIQOI-SGMGOOAPSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000784014956 647787894 /nfs/dbraw/zinc/78/78/94/647787894.db2.gz PDABAOBMACTKAF-OAHLLOKOSA-N 1 2 274.320 2.247 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000784014956 647787903 /nfs/dbraw/zinc/78/79/03/647787903.db2.gz PDABAOBMACTKAF-OAHLLOKOSA-N 1 2 274.320 2.247 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000784448867 647851032 /nfs/dbraw/zinc/85/10/32/647851032.db2.gz APBJVUSLBUWAOZ-LSDHHAIUSA-N 1 2 262.328 2.485 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000784448867 647851036 /nfs/dbraw/zinc/85/10/36/647851036.db2.gz APBJVUSLBUWAOZ-LSDHHAIUSA-N 1 2 262.328 2.485 20 30 CEEDLO CN(C)c1cc(COC(=O)CC(C)(C)C#N)cc[nH+]1 ZINC000785077632 647906423 /nfs/dbraw/zinc/90/64/23/647906423.db2.gz GFHKCHGYXNYERR-UHFFFAOYSA-N 1 2 261.325 2.131 20 30 CEEDLO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000785410305 647925419 /nfs/dbraw/zinc/92/54/19/647925419.db2.gz WKEHTIBCPDMFNG-UHFFFAOYSA-N 1 2 298.346 2.014 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC000786985556 648064118 /nfs/dbraw/zinc/06/41/18/648064118.db2.gz WXDBBOCUQFXNJW-LSDHHAIUSA-N 1 2 296.374 2.274 20 30 CEEDLO Cn1cc[nH+]c1NN=C1CCCc2ccc([N+](=O)[O-])cc21 ZINC000790300881 648403542 /nfs/dbraw/zinc/40/35/42/648403542.db2.gz BOAMWMWBKJOJDC-UHFFFAOYSA-N 1 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AVACHHBORQMUPO-WBVHZDCISA-N 1 2 287.359 2.236 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000878441202 651097013 /nfs/dbraw/zinc/09/70/13/651097013.db2.gz AVACHHBORQMUPO-WBVHZDCISA-N 1 2 287.359 2.236 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2ccccc2O)o1 ZINC000878503135 651114947 /nfs/dbraw/zinc/11/49/47/651114947.db2.gz OBCUBWBGQAJTHQ-UHFFFAOYSA-N 1 2 289.335 2.077 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2ccccc2O)o1 ZINC000878503135 651114949 /nfs/dbraw/zinc/11/49/49/651114949.db2.gz OBCUBWBGQAJTHQ-UHFFFAOYSA-N 1 2 289.335 2.077 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ncccc1C ZINC000878524530 651121118 /nfs/dbraw/zinc/12/11/18/651121118.db2.gz QEFCHZJLEWKFPF-CYBMUJFWSA-N 1 2 259.353 2.369 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ncccc1C ZINC000878524530 651121119 /nfs/dbraw/zinc/12/11/19/651121119.db2.gz QEFCHZJLEWKFPF-CYBMUJFWSA-N 1 2 259.353 2.369 20 30 CEEDLO C#CC[N@@H+](Cc1cnn(C(C)(C)C)c1)C1CSC1 ZINC000878909831 651207858 /nfs/dbraw/zinc/20/78/58/651207858.db2.gz CUNMDQDBTNJLLB-UHFFFAOYSA-N 1 2 263.410 2.189 20 30 CEEDLO C#CC[N@H+](Cc1cnn(C(C)(C)C)c1)C1CSC1 ZINC000878909831 651207861 /nfs/dbraw/zinc/20/78/61/651207861.db2.gz CUNMDQDBTNJLLB-UHFFFAOYSA-N 1 2 263.410 2.189 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879636103 651334460 /nfs/dbraw/zinc/33/44/60/651334460.db2.gz HEMKJGIVQHXJSA-INIZCTEOSA-N 1 2 277.364 2.271 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879636103 651334462 /nfs/dbraw/zinc/33/44/62/651334462.db2.gz HEMKJGIVQHXJSA-INIZCTEOSA-N 1 2 277.364 2.271 20 30 CEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(F)CC2)C1=O ZINC000880239843 651407212 /nfs/dbraw/zinc/40/72/12/651407212.db2.gz GKUBHEHKWOEWOQ-LBPRGKRZSA-N 1 2 293.367 2.159 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000128422435 651440818 /nfs/dbraw/zinc/44/08/18/651440818.db2.gz AOYWVDZYUVNHCQ-VMPITWQZSA-N 1 2 288.778 2.131 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445754 651442680 /nfs/dbraw/zinc/44/26/80/651442680.db2.gz OSTBRDSUXLMRTD-CQSZACIVSA-N 1 2 253.292 2.260 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445754 651442681 /nfs/dbraw/zinc/44/26/81/651442681.db2.gz OSTBRDSUXLMRTD-CQSZACIVSA-N 1 2 253.292 2.260 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000880483582 651448637 /nfs/dbraw/zinc/44/86/37/651448637.db2.gz FJIATUZHJHHIGN-UHFFFAOYSA-N 1 2 276.380 2.322 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC=C[C@@H]2CO)c(Br)c1 ZINC000880488751 651449360 /nfs/dbraw/zinc/44/93/60/651449360.db2.gz LJXPGCVCRJDMAL-GFCCVEGCSA-N 1 2 293.164 2.053 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC=C[C@@H]2CO)c(Br)c1 ZINC000880488751 651449362 /nfs/dbraw/zinc/44/93/62/651449362.db2.gz LJXPGCVCRJDMAL-GFCCVEGCSA-N 1 2 293.164 2.053 20 30 CEEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000880589627 651466879 /nfs/dbraw/zinc/46/68/79/651466879.db2.gz ATJXHOGNEYFTPW-HNNXBMFYSA-N 1 2 276.355 2.009 20 30 CEEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000880589627 651466881 /nfs/dbraw/zinc/46/68/81/651466881.db2.gz ATJXHOGNEYFTPW-HNNXBMFYSA-N 1 2 276.355 2.009 20 30 CEEDLO C#CC1([NH2+]Cc2nn(C)c(C)c2Cl)CCCC1 ZINC000883361759 652443946 /nfs/dbraw/zinc/44/39/46/652443946.db2.gz KZXVASOQODNLPU-UHFFFAOYSA-N 1 2 251.761 2.418 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C2CC2)CC1=O ZINC000134745697 652871627 /nfs/dbraw/zinc/87/16/27/652871627.db2.gz KUQJFIXHRLKVLR-INIZCTEOSA-N 1 2 283.375 2.206 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C2CC2)CC1=O ZINC000134745697 652871631 /nfs/dbraw/zinc/87/16/31/652871631.db2.gz KUQJFIXHRLKVLR-INIZCTEOSA-N 1 2 283.375 2.206 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C)c(Cl)c1 ZINC000885669616 653037037 /nfs/dbraw/zinc/03/70/37/653037037.db2.gz JYQQDXXAGFRSIC-CYBMUJFWSA-N 1 2 262.740 2.354 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)c(Cl)c1 ZINC000885669616 653037040 /nfs/dbraw/zinc/03/70/40/653037040.db2.gz JYQQDXXAGFRSIC-CYBMUJFWSA-N 1 2 262.740 2.354 20 30 CEEDLO C=C(C)C(=O)OCCNc1nc(C2CC2)[nH+]c2c1CCC2 ZINC001168070444 806047784 /nfs/dbraw/zinc/04/77/84/806047784.db2.gz DEANHGCQDNKNGW-UHFFFAOYSA-N 1 2 287.363 2.374 20 30 CEEDLO CC(C)[NH+]1CC(Nc2nc(C#N)ccc2Cl)C1 ZINC001168317654 806650461 /nfs/dbraw/zinc/65/04/61/806650461.db2.gz QMTWMVGDZVKXGD-UHFFFAOYSA-N 1 2 250.733 2.111 20 30 CEEDLO C=C(C)CCC(=O)NCC[N@@H+](C)Cc1cc(OC)ns1 ZINC001266278658 802352168 /nfs/dbraw/zinc/35/21/68/802352168.db2.gz NEIJLIDWVGUYPK-UHFFFAOYSA-N 1 2 297.424 2.056 20 30 CEEDLO C=C(C)CCC(=O)NCC[N@H+](C)Cc1cc(OC)ns1 ZINC001266278658 802352176 /nfs/dbraw/zinc/35/21/76/802352176.db2.gz NEIJLIDWVGUYPK-UHFFFAOYSA-N 1 2 297.424 2.056 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(C)C ZINC001266496303 802631483 /nfs/dbraw/zinc/63/14/83/802631483.db2.gz IIFVRJZAONCCFO-GASCZTMLSA-N 1 2 262.397 2.121 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(C)C ZINC001266496303 802631488 /nfs/dbraw/zinc/63/14/88/802631488.db2.gz 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ZINC001038287674 803410376 /nfs/dbraw/zinc/41/03/76/803410376.db2.gz QMHKVAJTXCHTKI-CYBMUJFWSA-N 1 2 276.405 2.192 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001038287674 803410382 /nfs/dbraw/zinc/41/03/82/803410382.db2.gz QMHKVAJTXCHTKI-CYBMUJFWSA-N 1 2 276.405 2.192 20 30 CEEDLO CCN(C)c1cc(NCCc2ccc(C#N)cc2)[nH+]cn1 ZINC001167677408 803438374 /nfs/dbraw/zinc/43/83/74/803438374.db2.gz ZUBJPXGIXWDKGH-UHFFFAOYSA-N 1 2 281.363 2.459 20 30 CEEDLO CCN(C)c1cc(NCCc2ccc(C#N)cc2)nc[nH+]1 ZINC001167677408 803438377 /nfs/dbraw/zinc/43/83/77/803438377.db2.gz ZUBJPXGIXWDKGH-UHFFFAOYSA-N 1 2 281.363 2.459 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001267689226 803659580 /nfs/dbraw/zinc/65/95/80/803659580.db2.gz GYDFGFCLFOGHCS-GFCCVEGCSA-N 1 2 270.804 2.389 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001038344751 803666475 /nfs/dbraw/zinc/66/64/75/803666475.db2.gz KBSBHTCHXNCBGQ-LVDDQXARSA-N 1 2 293.798 2.231 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001038344751 803666481 /nfs/dbraw/zinc/66/64/81/803666481.db2.gz KBSBHTCHXNCBGQ-LVDDQXARSA-N 1 2 293.798 2.231 20 30 CEEDLO C=CCCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105134471 803795452 /nfs/dbraw/zinc/79/54/52/803795452.db2.gz BJYHYEREWPJDMT-CYBMUJFWSA-N 1 2 276.384 2.304 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)SC)[C@@H]2C1 ZINC001075562919 804018748 /nfs/dbraw/zinc/01/87/48/804018748.db2.gz DCHZKHNWKBJSLX-SDDRHHMPSA-N 1 2 288.844 2.023 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)SC)[C@@H]2C1 ZINC001075562919 804018754 /nfs/dbraw/zinc/01/87/54/804018754.db2.gz DCHZKHNWKBJSLX-SDDRHHMPSA-N 1 2 288.844 2.023 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038753467 804134511 /nfs/dbraw/zinc/13/45/11/804134511.db2.gz IJPUVOCRCSZLLN-MRXNPFEDSA-N 1 2 293.370 2.062 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038753467 804134517 /nfs/dbraw/zinc/13/45/17/804134517.db2.gz IJPUVOCRCSZLLN-MRXNPFEDSA-N 1 2 293.370 2.062 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001027743323 804232971 /nfs/dbraw/zinc/23/29/71/804232971.db2.gz GDPYHIKRBWMJQK-CYBMUJFWSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001027743323 804232977 /nfs/dbraw/zinc/23/29/77/804232977.db2.gz GDPYHIKRBWMJQK-CYBMUJFWSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cscn1 ZINC001027781400 804253347 /nfs/dbraw/zinc/25/33/47/804253347.db2.gz HMGJAXHJEHWLRV-JTQLQIEISA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cscn1 ZINC001027781400 804253353 /nfs/dbraw/zinc/25/33/53/804253353.db2.gz HMGJAXHJEHWLRV-JTQLQIEISA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csnc1C ZINC001027835584 804286186 /nfs/dbraw/zinc/28/61/86/804286186.db2.gz GCTSKBCYIBODDA-NSHDSACASA-N 1 2 299.827 2.398 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csnc1C ZINC001027835584 804286190 /nfs/dbraw/zinc/28/61/90/804286190.db2.gz GCTSKBCYIBODDA-NSHDSACASA-N 1 2 299.827 2.398 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001027960244 804363693 /nfs/dbraw/zinc/36/36/93/804363693.db2.gz WJOHFZIYHFPSNA-GHMZBOCLSA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001027960244 804363700 /nfs/dbraw/zinc/36/37/00/804363700.db2.gz WJOHFZIYHFPSNA-GHMZBOCLSA-N 1 2 292.757 2.365 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001038956847 804601585 /nfs/dbraw/zinc/60/15/85/804601585.db2.gz DNEBIFYWGMASDR-SNVBAGLBSA-N 1 2 282.796 2.147 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001038956847 804601589 /nfs/dbraw/zinc/60/15/89/804601589.db2.gz DNEBIFYWGMASDR-SNVBAGLBSA-N 1 2 282.796 2.147 20 30 CEEDLO Cc1cnc(C[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)C)s1 ZINC001268730331 804947268 /nfs/dbraw/zinc/94/72/68/804947268.db2.gz NYIZAZHGLHBKAT-LBPRGKRZSA-N 1 2 293.436 2.047 20 30 CEEDLO Cc1cnc(C[N@H+](C)C[C@H](C)NC(=O)C#CC(C)C)s1 ZINC001268730331 804947275 /nfs/dbraw/zinc/94/72/75/804947275.db2.gz NYIZAZHGLHBKAT-LBPRGKRZSA-N 1 2 293.436 2.047 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001268985656 805018709 /nfs/dbraw/zinc/01/87/09/805018709.db2.gz WWRPGUCLNYBSAP-UHFFFAOYSA-N 1 2 287.407 2.261 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001269135126 805058842 /nfs/dbraw/zinc/05/88/42/805058842.db2.gz ZZDVGYRSJUUHHE-GFCCVEGCSA-N 1 2 256.777 2.286 20 30 CEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001269135126 805058849 /nfs/dbraw/zinc/05/88/49/805058849.db2.gz ZZDVGYRSJUUHHE-GFCCVEGCSA-N 1 2 256.777 2.286 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001269278157 805111360 /nfs/dbraw/zinc/11/13/60/805111360.db2.gz CVSDYHJCARDQDY-KBPBESRZSA-N 1 2 291.395 2.276 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001269278157 805111365 /nfs/dbraw/zinc/11/13/65/805111365.db2.gz CVSDYHJCARDQDY-KBPBESRZSA-N 1 2 291.395 2.276 20 30 CEEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1=S ZINC001119077045 815069183 /nfs/dbraw/zinc/06/91/83/815069183.db2.gz ZDEDYLUYOCGSKA-VXGBXAGGSA-N 1 2 296.465 2.242 20 30 CEEDLO C=CCn1cnn(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1=S ZINC001119077045 815069186 /nfs/dbraw/zinc/06/91/86/815069186.db2.gz ZDEDYLUYOCGSKA-VXGBXAGGSA-N 1 2 296.465 2.242 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001270638813 805501637 /nfs/dbraw/zinc/50/16/37/805501637.db2.gz RPBKIZXBVGJOMX-CQSZACIVSA-N 1 2 296.386 2.177 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001270638813 805501643 /nfs/dbraw/zinc/50/16/43/805501643.db2.gz RPBKIZXBVGJOMX-CQSZACIVSA-N 1 2 296.386 2.177 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cccs2)C1 ZINC001042419135 807087052 /nfs/dbraw/zinc/08/70/52/807087052.db2.gz CFLIFFUZGIRYPY-UHFFFAOYSA-N 1 2 264.394 2.009 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001030511703 807213104 /nfs/dbraw/zinc/21/31/04/807213104.db2.gz AKTUMNDUXLORJT-UHFFFAOYSA-N 1 2 278.783 2.177 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001030512015 807214371 /nfs/dbraw/zinc/21/43/71/807214371.db2.gz JNAKEAXSORRUAV-AWEZNQCLSA-N 1 2 262.397 2.499 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H]1C ZINC001088933554 807283012 /nfs/dbraw/zinc/28/30/12/807283012.db2.gz IKTCMPVCSCFCSL-YPMHNXCESA-N 1 2 282.771 2.154 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H]1C ZINC001088933554 807283018 /nfs/dbraw/zinc/28/30/18/807283018.db2.gz IKTCMPVCSCFCSL-YPMHNXCESA-N 1 2 282.771 2.154 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038565704 807331753 /nfs/dbraw/zinc/33/17/53/807331753.db2.gz KBBYZVTUDOSCEV-HNNXBMFYSA-N 1 2 297.402 2.095 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038565704 807331761 /nfs/dbraw/zinc/33/17/61/807331761.db2.gz KBBYZVTUDOSCEV-HNNXBMFYSA-N 1 2 297.402 2.095 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001030865615 807441454 /nfs/dbraw/zinc/44/14/54/807441454.db2.gz SPGDVKOAIXBVEJ-QWHCGFSZSA-N 1 2 250.386 2.189 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001030872077 807447627 /nfs/dbraw/zinc/44/76/27/807447627.db2.gz LGDPMJVUMJKUFH-UHFFFAOYSA-N 1 2 282.746 2.469 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001030945062 807531385 /nfs/dbraw/zinc/53/13/85/807531385.db2.gz DBDFGHIYOIMQDN-UHFFFAOYSA-N 1 2 282.387 2.175 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001031230282 807816109 /nfs/dbraw/zinc/81/61/09/807816109.db2.gz GKZLFFYGVCWYHA-LBPRGKRZSA-N 1 2 290.411 2.153 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001031452328 807963939 /nfs/dbraw/zinc/96/39/39/807963939.db2.gz RPHQPEVPYOHHIO-GOSISDBHSA-N 1 2 296.414 2.320 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001031469082 807968835 /nfs/dbraw/zinc/96/88/35/807968835.db2.gz HDONPBHXYSQEAZ-UHFFFAOYSA-N 1 2 288.391 2.003 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccccc2)C1 ZINC001031518856 807986256 /nfs/dbraw/zinc/98/62/56/807986256.db2.gz HGPFPCMEPJSADO-UHFFFAOYSA-N 1 2 264.756 2.101 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2C=CC=CC=C2)C1 ZINC001031702629 808069185 /nfs/dbraw/zinc/06/91/85/808069185.db2.gz ODROSVZKDYBFQK-UHFFFAOYSA-N 1 2 278.783 2.085 20 30 CEEDLO C=C1CCC(C(=O)NCCCNc2cc[nH+]c(C)n2)CC1 ZINC001094770849 815173672 /nfs/dbraw/zinc/17/36/72/815173672.db2.gz HXURNPGYUVFUFW-UHFFFAOYSA-N 1 2 288.395 2.450 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001031781126 808133990 /nfs/dbraw/zinc/13/39/90/808133990.db2.gz KHJWZRXZXIHYAR-MJBXVCDLSA-N 1 2 282.815 2.223 20 30 CEEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001119962488 815177500 /nfs/dbraw/zinc/17/75/00/815177500.db2.gz NCSISSDRYYTHAL-GOEBONIOSA-N 1 2 298.386 2.114 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001119962488 815177502 /nfs/dbraw/zinc/17/75/02/815177502.db2.gz 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C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1)C1CC1 ZINC000530723674 344930607 /nfs/dbraw/zinc/93/06/07/344930607.db2.gz UIFLUXFXLLGDGS-RDJZCZTQSA-N 1 2 298.390 2.027 20 30 CEEDLO Cc1cc(NC(=O)N2CCC(CC#N)CC2)c(C)c[nH+]1 ZINC000541963089 344934115 /nfs/dbraw/zinc/93/41/15/344934115.db2.gz VPVVAEHMUUWBSS-UHFFFAOYSA-N 1 2 272.352 2.278 20 30 CEEDLO CC(C)(CO)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccnc1 ZINC000570163028 344945718 /nfs/dbraw/zinc/94/57/18/344945718.db2.gz YQOIBENCQULWTI-UKRRQHHQSA-N 1 2 286.379 2.174 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000584848627 344993950 /nfs/dbraw/zinc/99/39/50/344993950.db2.gz CCOHWZPLFPXWLC-GFCCVEGCSA-N 1 2 282.347 2.119 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000584848627 344993951 /nfs/dbraw/zinc/99/39/51/344993951.db2.gz CCOHWZPLFPXWLC-GFCCVEGCSA-N 1 2 282.347 2.119 20 30 CEEDLO CC(C)([NH2+]Cc1cnc2ccc(C#N)cn12)C(F)F ZINC000585767456 345013813 /nfs/dbraw/zinc/01/38/13/345013813.db2.gz DRZMIXCRPLGRCK-UHFFFAOYSA-N 1 2 264.279 2.339 20 30 CEEDLO CC(C)(NCc1c[nH+]c2ccc(C#N)cn12)C(F)F ZINC000585767456 345013817 /nfs/dbraw/zinc/01/38/17/345013817.db2.gz DRZMIXCRPLGRCK-UHFFFAOYSA-N 1 2 264.279 2.339 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000586778752 345020801 /nfs/dbraw/zinc/02/08/01/345020801.db2.gz SBHSYQHRSUDGBN-SJORKVTESA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000586778752 345020805 /nfs/dbraw/zinc/02/08/05/345020805.db2.gz SBHSYQHRSUDGBN-SJORKVTESA-N 1 2 286.375 2.247 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000586806719 345024302 /nfs/dbraw/zinc/02/43/02/345024302.db2.gz HJBAQAJIYNZVFN-UHFFFAOYSA-N 1 2 284.294 2.411 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000588973979 345062787 /nfs/dbraw/zinc/06/27/87/345062787.db2.gz QLLAAMYWFYGDRA-CQSZACIVSA-N 1 2 297.362 2.070 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000588973979 345062789 /nfs/dbraw/zinc/06/27/89/345062789.db2.gz QLLAAMYWFYGDRA-CQSZACIVSA-N 1 2 297.362 2.070 20 30 CEEDLO Cc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000589861313 345102315 /nfs/dbraw/zinc/10/23/15/345102315.db2.gz CEQKYPKVDLUREM-AWEZNQCLSA-N 1 2 267.336 2.300 20 30 CEEDLO C=C[C@@H]([NH2+]CC[C@H]1CCc2ccccc21)C(=O)OC ZINC000591374102 345246463 /nfs/dbraw/zinc/24/64/63/345246463.db2.gz ZBTLLOYVLQJDDK-UKRRQHHQSA-N 1 2 259.349 2.424 20 30 CEEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000592121670 345324932 /nfs/dbraw/zinc/32/49/32/345324932.db2.gz ADXDFSJQLHDUFP-GJZGRUSLSA-N 1 2 271.364 2.343 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000592121670 345324935 /nfs/dbraw/zinc/32/49/35/345324935.db2.gz ADXDFSJQLHDUFP-GJZGRUSLSA-N 1 2 271.364 2.343 20 30 CEEDLO N#Cc1c2c(cnc1N1CCC[C@H](n3cc[nH+]c3)C1)CCC2 ZINC000591820848 345284690 /nfs/dbraw/zinc/28/46/90/345284690.db2.gz GCXXQGUUNZXXDA-AWEZNQCLSA-N 1 2 293.374 2.480 20 30 CEEDLO Cc1cc(N2CCC(O[C@@H]3CCOC3)CC2)c(C#N)c[nH+]1 ZINC000591821207 345284805 /nfs/dbraw/zinc/28/48/05/345284805.db2.gz SCPZFXMTFGQXBW-OAHLLOKOSA-N 1 2 287.363 2.036 20 30 CEEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000592103137 345322582 /nfs/dbraw/zinc/32/25/82/345322582.db2.gz COPLXYRQEGOJIB-VIFPVBQESA-N 1 2 256.309 2.409 20 30 CEEDLO CCc1nnc(C2CC[NH+](Cc3ccncc3C#N)CC2)[nH]1 ZINC000592112230 345323792 /nfs/dbraw/zinc/32/37/92/345323792.db2.gz JLWDDWNUAMFMQX-UHFFFAOYSA-N 1 2 296.378 2.013 20 30 CEEDLO CCc1n[nH]c(C2CC[NH+](Cc3ccncc3C#N)CC2)n1 ZINC000592112230 345323796 /nfs/dbraw/zinc/32/37/96/345323796.db2.gz JLWDDWNUAMFMQX-UHFFFAOYSA-N 1 2 296.378 2.013 20 30 CEEDLO CCc1nc(C2CC[NH+](Cc3ccncc3C#N)CC2)n[nH]1 ZINC000592112230 345323799 /nfs/dbraw/zinc/32/37/99/345323799.db2.gz JLWDDWNUAMFMQX-UHFFFAOYSA-N 1 2 296.378 2.013 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1F ZINC000592130286 345327425 /nfs/dbraw/zinc/32/74/25/345327425.db2.gz FZIQECYBSHCMQJ-ZDUSSCGKSA-N 1 2 295.308 2.223 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1F ZINC000592130286 345327426 /nfs/dbraw/zinc/32/74/26/345327426.db2.gz FZIQECYBSHCMQJ-ZDUSSCGKSA-N 1 2 295.308 2.223 20 30 CEEDLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147568 345328951 /nfs/dbraw/zinc/32/89/51/345328951.db2.gz QDAGIFWCECDJIJ-WBMJQRKESA-N 1 2 298.346 2.148 20 30 CEEDLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147568 345328952 /nfs/dbraw/zinc/32/89/52/345328952.db2.gz QDAGIFWCECDJIJ-WBMJQRKESA-N 1 2 298.346 2.148 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000592152537 345331117 /nfs/dbraw/zinc/33/11/17/345331117.db2.gz YWLRSXFCFSGWFU-CYBMUJFWSA-N 1 2 268.719 2.330 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000592152537 345331118 /nfs/dbraw/zinc/33/11/18/345331118.db2.gz YWLRSXFCFSGWFU-CYBMUJFWSA-N 1 2 268.719 2.330 20 30 CEEDLO Cc1ccc2c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)coc2c1 ZINC000593155744 345447925 /nfs/dbraw/zinc/44/79/25/345447925.db2.gz YMIDQTWXOYOZNH-KRWDZBQOSA-N 1 2 299.374 2.244 20 30 CEEDLO Cc1cc(N[C@H](C2CC2)C2CCOCC2)c(C#N)c[nH+]1 ZINC000593492757 345497930 /nfs/dbraw/zinc/49/79/30/345497930.db2.gz ZOMFXKAJIQRYDN-MRXNPFEDSA-N 1 2 271.364 2.301 20 30 CEEDLO CC[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000593690045 345521674 /nfs/dbraw/zinc/52/16/74/345521674.db2.gz KVHFEIZGAQPPNB-RISCZKNCSA-N 1 2 291.782 2.363 20 30 CEEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000593690046 345521683 /nfs/dbraw/zinc/52/16/83/345521683.db2.gz KVHFEIZGAQPPNB-SMDDNHRTSA-N 1 2 291.782 2.363 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccc(C#N)c1 ZINC000593973717 345558805 /nfs/dbraw/zinc/55/88/05/345558805.db2.gz VDRBDBKKSYWZIA-QWRGUYRKSA-N 1 2 267.336 2.173 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000594007895 345565015 /nfs/dbraw/zinc/56/50/15/345565015.db2.gz DQMJJTLMBDVJSG-SECBINFHSA-N 1 2 260.263 2.227 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2F)nc1 ZINC000594014888 345567135 /nfs/dbraw/zinc/56/71/35/345567135.db2.gz AYCNZQCSAWUHHC-INIZCTEOSA-N 1 2 285.322 2.306 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C)C3(C#N)CCC3)ccn12 ZINC000594257020 345605765 /nfs/dbraw/zinc/60/57/65/345605765.db2.gz KTHOSVKURLUXSW-UHFFFAOYSA-N 1 2 268.320 2.161 20 30 CEEDLO C[C@H]1CCN(C(=O)CCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000594311268 345611402 /nfs/dbraw/zinc/61/14/02/345611402.db2.gz PJMAHGBJLSAWIK-UONOGXRCSA-N 1 2 274.368 2.377 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594322155 345611766 /nfs/dbraw/zinc/61/17/66/345611766.db2.gz RUVGTQFJTDJBFI-SNVBAGLBSA-N 1 2 268.320 2.407 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594322155 345611769 /nfs/dbraw/zinc/61/17/69/345611769.db2.gz RUVGTQFJTDJBFI-SNVBAGLBSA-N 1 2 268.320 2.407 20 30 CEEDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1 ZINC000594514666 345641532 /nfs/dbraw/zinc/64/15/32/345641532.db2.gz YVGYVQDKQROEAG-RISCZKNCSA-N 1 2 297.362 2.379 20 30 CEEDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ncnn21 ZINC000594958253 345716304 /nfs/dbraw/zinc/71/63/04/345716304.db2.gz ZVIYYXFVVQHRRN-RNCFNFMXSA-N 1 2 271.299 2.084 20 30 CEEDLO N#C[C@H](N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000595452702 345785949 /nfs/dbraw/zinc/78/59/49/345785949.db2.gz BTKHZFPPUIKOGL-OKZBNKHCSA-N 1 2 299.418 2.484 20 30 CEEDLO Cc1cc(C#N)ccc1CN1CCn2c[nH+]cc2C1 ZINC000595489891 345794293 /nfs/dbraw/zinc/79/42/93/345794293.db2.gz JVLGEJCFNSLQSD-UHFFFAOYSA-N 1 2 252.321 2.079 20 30 CEEDLO COC[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(OC)c1 ZINC000595685045 345848033 /nfs/dbraw/zinc/84/80/33/345848033.db2.gz SZOIYCFPOGFLPR-KRWDZBQOSA-N 1 2 297.358 2.439 20 30 CEEDLO Cc1noc(C[N@@H+]2CCC[C@H](CC#N)C2)c1[N+](=O)[O-] ZINC000595618695 345828862 /nfs/dbraw/zinc/82/88/62/345828862.db2.gz ZMPRADUFSAPRJY-SNVBAGLBSA-N 1 2 264.285 2.017 20 30 CEEDLO Cc1noc(C[N@H+]2CCC[C@H](CC#N)C2)c1[N+](=O)[O-] ZINC000595618695 345828863 /nfs/dbraw/zinc/82/88/63/345828863.db2.gz ZMPRADUFSAPRJY-SNVBAGLBSA-N 1 2 264.285 2.017 20 30 CEEDLO C=CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595639316 345834495 /nfs/dbraw/zinc/83/44/95/345834495.db2.gz SQPASSPQQZXZIQ-LBPRGKRZSA-N 1 2 289.335 2.489 20 30 CEEDLO C=CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595639316 345834498 /nfs/dbraw/zinc/83/44/98/345834498.db2.gz SQPASSPQQZXZIQ-LBPRGKRZSA-N 1 2 289.335 2.489 20 30 CEEDLO C=CCCSCCNC(=O)NCc1[nH+]ccn1CC ZINC000595648179 345837475 /nfs/dbraw/zinc/83/74/75/345837475.db2.gz VQTYJPUKYJRXKR-UHFFFAOYSA-N 1 2 282.413 2.012 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835858 345892330 /nfs/dbraw/zinc/89/23/30/345892330.db2.gz VAUIIYXFWPYIID-CRAIPNDOSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835858 345892331 /nfs/dbraw/zinc/89/23/31/345892331.db2.gz VAUIIYXFWPYIID-CRAIPNDOSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835864 345892449 /nfs/dbraw/zinc/89/24/49/345892449.db2.gz VAUIIYXFWPYIID-YJBOKZPZSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835864 345892451 /nfs/dbraw/zinc/89/24/51/345892451.db2.gz VAUIIYXFWPYIID-YJBOKZPZSA-N 1 2 299.418 2.278 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595840012 345894761 /nfs/dbraw/zinc/89/47/61/345894761.db2.gz NNYMYXPTKZIKLY-AWEZNQCLSA-N 1 2 275.308 2.209 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595840012 345894764 /nfs/dbraw/zinc/89/47/64/345894764.db2.gz NNYMYXPTKZIKLY-AWEZNQCLSA-N 1 2 275.308 2.209 20 30 CEEDLO COC(=O)c1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842697 345896475 /nfs/dbraw/zinc/89/64/75/345896475.db2.gz GUKYJNPIXKLRCE-OAHLLOKOSA-N 1 2 258.321 2.209 20 30 CEEDLO COC(=O)c1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842697 345896478 /nfs/dbraw/zinc/89/64/78/345896478.db2.gz 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/nfs/dbraw/zinc/05/26/64/346052664.db2.gz JWJQABDIZICPEU-GDBMZVCRSA-N 1 2 287.363 2.217 20 30 CEEDLO C[C@H](CC#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000596705615 346077692 /nfs/dbraw/zinc/07/76/92/346077692.db2.gz LZFSHGVKDRJJCO-SECBINFHSA-N 1 2 276.727 2.154 20 30 CEEDLO C[C@H](CC#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000596826969 346094278 /nfs/dbraw/zinc/09/42/78/346094278.db2.gz GNZYHHHMPPHIPO-CYBMUJFWSA-N 1 2 286.379 2.238 20 30 CEEDLO Cc1cc[nH+]cc1Cc1noc(C2(C#N)CCC2)n1 ZINC000596616863 346065854 /nfs/dbraw/zinc/06/58/54/346065854.db2.gz LZJFZAFNEVOXTD-UHFFFAOYSA-N 1 2 254.293 2.309 20 30 CEEDLO CN(C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000596931136 346107969 /nfs/dbraw/zinc/10/79/69/346107969.db2.gz MPHLSDBRXHIALM-GFCCVEGCSA-N 1 2 280.331 2.049 20 30 CEEDLO CN(C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000596931136 346107972 /nfs/dbraw/zinc/10/79/72/346107972.db2.gz MPHLSDBRXHIALM-GFCCVEGCSA-N 1 2 280.331 2.049 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 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CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000599292030 346492568 /nfs/dbraw/zinc/49/25/68/346492568.db2.gz DNDWVVMXKCQTJI-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000599292030 346492569 /nfs/dbraw/zinc/49/25/69/346492569.db2.gz DNDWVVMXKCQTJI-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678190 346562692 /nfs/dbraw/zinc/56/26/92/346562692.db2.gz JEUIGYDSUOJXLB-OCCSQVGLSA-N 1 2 293.338 2.351 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000599678190 346562693 /nfs/dbraw/zinc/56/26/93/346562693.db2.gz JEUIGYDSUOJXLB-OCCSQVGLSA-N 1 2 293.338 2.351 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(C)C(C)C)Cc1cccc(C#N)c1 ZINC000063388328 362766042 /nfs/dbraw/zinc/76/60/42/362766042.db2.gz OLCUDVXDCOYSNY-UHFFFAOYSA-N 1 2 285.391 2.413 20 30 CEEDLO C=CC[N@H+](CC(=O)N(C)C(C)C)Cc1cccc(C#N)c1 ZINC000063388328 362766048 /nfs/dbraw/zinc/76/60/48/362766048.db2.gz OLCUDVXDCOYSNY-UHFFFAOYSA-N 1 2 285.391 2.413 20 30 CEEDLO CC#CCC[N@@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599548722 346535404 /nfs/dbraw/zinc/53/54/04/346535404.db2.gz CWMCZJLSBOAWOG-UHFFFAOYSA-N 1 2 275.323 2.384 20 30 CEEDLO CC#CCC[N@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599548722 346535409 /nfs/dbraw/zinc/53/54/09/346535409.db2.gz CWMCZJLSBOAWOG-UHFFFAOYSA-N 1 2 275.323 2.384 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)s1 ZINC000599635359 346550418 /nfs/dbraw/zinc/55/04/18/346550418.db2.gz QCNKUCNQGVLMKZ-JTQLQIEISA-N 1 2 254.330 2.180 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)s1 ZINC000599635359 346550419 /nfs/dbraw/zinc/55/04/19/346550419.db2.gz QCNKUCNQGVLMKZ-JTQLQIEISA-N 1 2 254.330 2.180 20 30 CEEDLO CC(C)N1CCC[C@H]([N@H+](C[C@H](C)C#N)C2CC2)C1=O ZINC000336801561 365833367 /nfs/dbraw/zinc/83/33/67/365833367.db2.gz QNTQCEVTWCKHIP-OCCSQVGLSA-N 1 2 263.385 2.010 20 30 CEEDLO CC(C)N1CCC[C@H]([N@@H+](C[C@H](C)C#N)C2CC2)C1=O ZINC000336801561 365833372 /nfs/dbraw/zinc/83/33/72/365833372.db2.gz QNTQCEVTWCKHIP-OCCSQVGLSA-N 1 2 263.385 2.010 20 30 CEEDLO Cc1c[nH]c(CN2CCN(c3cccc(F)c3C#N)CC2)[nH+]1 ZINC000600111437 346599180 /nfs/dbraw/zinc/59/91/80/346599180.db2.gz NHFNXCYXCYLXLK-UHFFFAOYSA-N 1 2 299.353 2.051 20 30 CEEDLO Cc1cc(C[NH2+]C[C@H](C)C#N)ncc1Br ZINC000600145431 346605844 /nfs/dbraw/zinc/60/58/44/346605844.db2.gz QELVCVTVTWTCSS-MRVPVSSYSA-N 1 2 268.158 2.402 20 30 CEEDLO Cc1c[nH]nc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212885 346624696 /nfs/dbraw/zinc/62/46/96/346624696.db2.gz KOTBMIYZRRJMIU-UHFFFAOYSA-N 1 2 266.348 2.343 20 30 CEEDLO Cc1c[nH]nc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212885 346624698 /nfs/dbraw/zinc/62/46/98/346624698.db2.gz KOTBMIYZRRJMIU-UHFFFAOYSA-N 1 2 266.348 2.343 20 30 CEEDLO Cc1cn[nH]c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212885 346624700 /nfs/dbraw/zinc/62/47/00/346624700.db2.gz KOTBMIYZRRJMIU-UHFFFAOYSA-N 1 2 266.348 2.343 20 30 CEEDLO Cc1cn[nH]c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212885 346624702 /nfs/dbraw/zinc/62/47/02/346624702.db2.gz KOTBMIYZRRJMIU-UHFFFAOYSA-N 1 2 266.348 2.343 20 30 CEEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000184497678 136573679 /nfs/dbraw/zinc/57/36/79/136573679.db2.gz VXCFJELFRVTHQO-CQSZACIVSA-N 1 2 293.374 2.231 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000356298243 370648294 /nfs/dbraw/zinc/64/82/94/370648294.db2.gz GMCFYFPBEJAHQO-ONGXEEELSA-N 1 2 251.355 2.014 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000356298243 370648300 /nfs/dbraw/zinc/64/83/00/370648300.db2.gz GMCFYFPBEJAHQO-ONGXEEELSA-N 1 2 251.355 2.014 20 30 CEEDLO N#CC1(C[C@@H](O)C[NH2+]CC(F)(F)c2ccccc2)CC1 ZINC000600736248 346681649 /nfs/dbraw/zinc/68/16/49/346681649.db2.gz WVCTUHARSMOREC-CYBMUJFWSA-N 1 2 280.318 2.423 20 30 CEEDLO CCOC(=O)c1cc(C[NH2+]CC2(C#N)CCCC2)on1 ZINC000602699789 347155884 /nfs/dbraw/zinc/15/58/84/347155884.db2.gz OOPKXJSHFZHCTI-UHFFFAOYSA-N 1 2 277.324 2.025 20 30 CEEDLO CO[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CCOCC1 ZINC000602704181 347159468 /nfs/dbraw/zinc/15/94/68/347159468.db2.gz GHXYNGPOJTWSKK-QGZVFWFLSA-N 1 2 286.375 2.315 20 30 CEEDLO CO[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CCOCC1 ZINC000602704181 347159469 /nfs/dbraw/zinc/15/94/69/347159469.db2.gz GHXYNGPOJTWSKK-QGZVFWFLSA-N 1 2 286.375 2.315 20 30 CEEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(F)c3)CC2)n1 ZINC000602752262 347185311 /nfs/dbraw/zinc/18/53/11/347185311.db2.gz PXQFTRGRYQJRLC-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C[C@H]1C[NH+](Cc2csc(C3CC3)n2)C[C@H](C)N1CC#N ZINC000602852985 347225247 /nfs/dbraw/zinc/22/52/47/347225247.db2.gz FOFNHLXCAVMNTG-RYUDHWBXSA-N 1 2 290.436 2.439 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccncc2Cl)C[C@@H](C)N1CC#N ZINC000602852521 347225449 /nfs/dbraw/zinc/22/54/49/347225449.db2.gz BRJHECINGHUMIL-VXGBXAGGSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H](C)N1CC#N ZINC000602856014 347226065 /nfs/dbraw/zinc/22/60/65/347226065.db2.gz XUMJQBSVBVPHNK-GJZGRUSLSA-N 1 2 285.366 2.095 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H](C)N1CC#N ZINC000602855769 347226350 /nfs/dbraw/zinc/22/63/50/347226350.db2.gz WSSSECKAQBQHDV-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H](C)N1CC#N ZINC000602855769 347226352 /nfs/dbraw/zinc/22/63/52/347226352.db2.gz WSSSECKAQBQHDV-TXEJJXNPSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H]1C[NH+](Cc2csc([N+](=O)[O-])c2)C[C@@H](C)N1CC#N ZINC000602858921 347227038 /nfs/dbraw/zinc/22/70/38/347227038.db2.gz WANMARPFCNCLJJ-GHMZBOCLSA-N 1 2 294.380 2.074 20 30 CEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602860367 347228314 /nfs/dbraw/zinc/22/83/14/347228314.db2.gz CTZMIIGNAAPTGB-AGIUHOORSA-N 1 2 289.379 2.153 20 30 CEEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)CC#N)c(C#N)c1C ZINC000602868663 347231149 /nfs/dbraw/zinc/23/11/49/347231149.db2.gz KDCJQTUHTLZELY-MRVPVSSYSA-N 1 2 276.365 2.067 20 30 CEEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602869890 347232203 /nfs/dbraw/zinc/23/22/03/347232203.db2.gz 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/nfs/dbraw/zinc/26/11/28/347261128.db2.gz WNUPONBYMHVMPR-PWSUYJOCSA-N 1 2 262.309 2.190 20 30 CEEDLO CC(C)N(C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C(C)C ZINC000602974590 347261506 /nfs/dbraw/zinc/26/15/06/347261506.db2.gz QJUVUAAHIOVAHD-KGLIPLIRSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)N(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)C(C)C ZINC000602974590 347261509 /nfs/dbraw/zinc/26/15/09/347261509.db2.gz QJUVUAAHIOVAHD-KGLIPLIRSA-N 1 2 265.401 2.256 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602978429 347263202 /nfs/dbraw/zinc/26/32/02/347263202.db2.gz QRDJKONVXFKQNW-HUUCEWRRSA-N 1 2 271.364 2.170 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602978429 347263204 /nfs/dbraw/zinc/26/32/04/347263204.db2.gz QRDJKONVXFKQNW-HUUCEWRRSA-N 1 2 271.364 2.170 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980516 347263841 /nfs/dbraw/zinc/26/38/41/347263841.db2.gz QTRYERIXMAIVFU-ZIAGYGMSSA-N 1 2 286.441 2.215 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980516 347263842 /nfs/dbraw/zinc/26/38/42/347263842.db2.gz QTRYERIXMAIVFU-ZIAGYGMSSA-N 1 2 286.441 2.215 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000129853832 365899952 /nfs/dbraw/zinc/89/99/52/365899952.db2.gz WFLKQMGQEHTQBT-CYBMUJFWSA-N 1 2 290.363 2.209 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000129853832 365899958 /nfs/dbraw/zinc/89/99/58/365899958.db2.gz WFLKQMGQEHTQBT-CYBMUJFWSA-N 1 2 290.363 2.209 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2ccccc2n1CC#N ZINC000610494359 347685223 /nfs/dbraw/zinc/68/52/23/347685223.db2.gz XPTNNDPDQWAGSU-UHFFFAOYSA-N 1 2 293.330 2.126 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(C#N)c1 ZINC000610580289 347693378 /nfs/dbraw/zinc/69/33/78/347693378.db2.gz ORWQGAFOXODDEP-ABAIWWIYSA-N 1 2 272.348 2.408 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611347502 347769213 /nfs/dbraw/zinc/76/92/13/347769213.db2.gz FEBVNVQEDLYTTI-HNNXBMFYSA-N 1 2 296.374 2.273 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611347502 347769215 /nfs/dbraw/zinc/76/92/15/347769215.db2.gz FEBVNVQEDLYTTI-HNNXBMFYSA-N 1 2 296.374 2.273 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000611347717 347769603 /nfs/dbraw/zinc/76/96/03/347769603.db2.gz JDYKVMBAIOUNSG-QGZVFWFLSA-N 1 2 296.374 2.009 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000611347717 347769605 /nfs/dbraw/zinc/76/96/05/347769605.db2.gz JDYKVMBAIOUNSG-QGZVFWFLSA-N 1 2 296.374 2.009 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccn1 ZINC000610991390 347728064 /nfs/dbraw/zinc/72/80/64/347728064.db2.gz HSSDJBMJVFWVFY-CYBMUJFWSA-N 1 2 267.336 2.056 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccn1 ZINC000610991390 347728068 /nfs/dbraw/zinc/72/80/68/347728068.db2.gz HSSDJBMJVFWVFY-CYBMUJFWSA-N 1 2 267.336 2.056 20 30 CEEDLO N#Cc1c(N2CCC[C@H](n3cc[nH+]c3)C2)nc2ccccn12 ZINC000611751754 347813639 /nfs/dbraw/zinc/81/36/39/347813639.db2.gz VGEOZFOPNLNZSC-ZDUSSCGKSA-N 1 2 292.346 2.244 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501646 347786524 /nfs/dbraw/zinc/78/65/24/347786524.db2.gz GEDRZCPMBQLZAF-MCIONIFRSA-N 1 2 295.402 2.397 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501646 347786526 /nfs/dbraw/zinc/78/65/26/347786526.db2.gz GEDRZCPMBQLZAF-MCIONIFRSA-N 1 2 295.402 2.397 20 30 CEEDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(CC#N)cc1 ZINC000612086940 347842252 /nfs/dbraw/zinc/84/22/52/347842252.db2.gz DMMCNDDGLCGQJR-UHFFFAOYSA-N 1 2 291.358 2.427 20 30 CEEDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(CC#N)cc1 ZINC000612086940 347842254 /nfs/dbraw/zinc/84/22/54/347842254.db2.gz DMMCNDDGLCGQJR-UHFFFAOYSA-N 1 2 291.358 2.427 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000612161240 347851136 /nfs/dbraw/zinc/85/11/36/347851136.db2.gz PWBCDUZZHBBQOA-ZBFHGGJFSA-N 1 2 274.364 2.052 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000612161240 347851137 /nfs/dbraw/zinc/85/11/37/347851137.db2.gz PWBCDUZZHBBQOA-ZBFHGGJFSA-N 1 2 274.364 2.052 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164394 347852078 /nfs/dbraw/zinc/85/20/78/347852078.db2.gz BMVWIKNIGWIBKZ-DOMZBBRYSA-N 1 2 265.401 2.305 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164394 347852082 /nfs/dbraw/zinc/85/20/82/347852082.db2.gz BMVWIKNIGWIBKZ-DOMZBBRYSA-N 1 2 265.401 2.305 20 30 CEEDLO CNC(=O)c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162569 347852235 /nfs/dbraw/zinc/85/22/35/347852235.db2.gz IIPYFZMKKZFHQZ-MRXNPFEDSA-N 1 2 271.364 2.172 20 30 CEEDLO CNC(=O)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162569 347852238 /nfs/dbraw/zinc/85/22/38/347852238.db2.gz IIPYFZMKKZFHQZ-MRXNPFEDSA-N 1 2 271.364 2.172 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164665 347852252 /nfs/dbraw/zinc/85/22/52/347852252.db2.gz HIKQZYKXVRIMMU-HOCLYGCPSA-N 1 2 275.396 2.201 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164665 347852256 /nfs/dbraw/zinc/85/22/56/347852256.db2.gz HIKQZYKXVRIMMU-HOCLYGCPSA-N 1 2 275.396 2.201 20 30 CEEDLO C[C@]1(C#N)CCCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000612406474 347880826 /nfs/dbraw/zinc/88/08/26/347880826.db2.gz NBJXDNZIAVEQQM-MRXNPFEDSA-N 1 2 279.347 2.332 20 30 CEEDLO COC[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(C)o1 ZINC000612477977 347891865 /nfs/dbraw/zinc/89/18/65/347891865.db2.gz RSFNMYYUQWQRLI-AWEZNQCLSA-N 1 2 271.320 2.332 20 30 CEEDLO Cc1ccnc(NCc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000273316770 192109598 /nfs/dbraw/zinc/10/95/98/192109598.db2.gz JKXQMUMBHCPXBH-UHFFFAOYSA-N 1 2 267.336 2.335 20 30 CEEDLO C=C[C@@H](O)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000613353401 348030970 /nfs/dbraw/zinc/03/09/70/348030970.db2.gz OHTYFQVHVYKYPI-GXTWGEPZSA-N 1 2 289.379 2.254 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000613855210 348114441 /nfs/dbraw/zinc/11/44/41/348114441.db2.gz UHMYVIUBVADFKO-JTQLQIEISA-N 1 2 257.297 2.148 20 30 CEEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c(C)n1 ZINC000614177003 348154958 /nfs/dbraw/zinc/15/49/58/348154958.db2.gz DXBROKQQQYLGLR-QGZVFWFLSA-N 1 2 286.423 2.364 20 30 CEEDLO C=C[C@@H](O)C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000614551271 348213434 /nfs/dbraw/zinc/21/34/34/348213434.db2.gz JKBQJMCVTDPVHV-OAHLLOKOSA-N 1 2 299.374 2.097 20 30 CEEDLO N#C[C@]1(F)CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000615642499 348365362 /nfs/dbraw/zinc/36/53/62/348365362.db2.gz BRICNPRLDPROQL-MRXNPFEDSA-N 1 2 284.338 2.369 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000617777198 348788832 /nfs/dbraw/zinc/78/88/32/348788832.db2.gz KGQYZXWMWMCPJS-ZIAGYGMSSA-N 1 2 273.380 2.260 20 30 CEEDLO COC1(CO)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000618551252 348973774 /nfs/dbraw/zinc/97/37/74/348973774.db2.gz QWDASAHMKRBJMR-UHFFFAOYSA-N 1 2 294.782 2.185 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618762692 349039191 /nfs/dbraw/zinc/03/91/91/349039191.db2.gz UNSIOCHFWHFBPT-MRXNPFEDSA-N 1 2 292.342 2.493 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000619716036 349226141 /nfs/dbraw/zinc/22/61/41/349226141.db2.gz KWNAICGSIIJETK-CYBMUJFWSA-N 1 2 293.363 2.253 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000619716036 349226144 /nfs/dbraw/zinc/22/61/44/349226144.db2.gz KWNAICGSIIJETK-CYBMUJFWSA-N 1 2 293.363 2.253 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCCC(C)C)CC1 ZINC000619716247 349226422 /nfs/dbraw/zinc/22/64/22/349226422.db2.gz CKRZLSNCLISIQM-CQSZACIVSA-N 1 2 269.385 2.241 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000619718406 349227038 /nfs/dbraw/zinc/22/70/38/349227038.db2.gz LKYBXJPPPQXHJN-MRXNPFEDSA-N 1 2 288.391 2.315 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000619719269 349228012 /nfs/dbraw/zinc/22/80/12/349228012.db2.gz GQSMBRBOKCDFEF-HNNXBMFYSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000620301841 349337642 /nfs/dbraw/zinc/33/76/42/349337642.db2.gz LDSAVWHNQIYLAU-MCIONIFRSA-N 1 2 271.364 2.155 20 30 CEEDLO CC(C)(C)c1ccc(CN2CC[NH2+]C[C@@H]2C#N)cc1 ZINC000091748829 180246120 /nfs/dbraw/zinc/24/61/20/180246120.db2.gz ZPJXWRSVYXISGF-HNNXBMFYSA-N 1 2 257.381 2.281 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+](Cc2nnc(OCC)s2)C1 ZINC000625699975 350549053 /nfs/dbraw/zinc/54/90/53/350549053.db2.gz FZQAYOXHCCWFHM-SNVBAGLBSA-N 1 2 253.371 2.335 20 30 CEEDLO C=CC[C@@H]1CC[N@H+](Cc2nnc(OCC)s2)C1 ZINC000625699975 350549055 /nfs/dbraw/zinc/54/90/55/350549055.db2.gz FZQAYOXHCCWFHM-SNVBAGLBSA-N 1 2 253.371 2.335 20 30 CEEDLO CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)C[C@@H](C)C#N ZINC000108975270 186238609 /nfs/dbraw/zinc/23/86/09/186238609.db2.gz PEQVPRRVDMNMAJ-JTQLQIEISA-N 1 2 290.392 2.046 20 30 CEEDLO CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)C[C@@H](C)C#N ZINC000108975270 186238611 /nfs/dbraw/zinc/23/86/11/186238611.db2.gz PEQVPRRVDMNMAJ-JTQLQIEISA-N 1 2 290.392 2.046 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000129854061 187456827 /nfs/dbraw/zinc/45/68/27/187456827.db2.gz WFLKQMGQEHTQBT-ZDUSSCGKSA-N 1 2 290.363 2.209 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000129854061 187456829 /nfs/dbraw/zinc/45/68/29/187456829.db2.gz WFLKQMGQEHTQBT-ZDUSSCGKSA-N 1 2 290.363 2.209 20 30 CEEDLO CCC[C@](C)([NH2+]Cc1ccc(C#N)cc1)C(=O)OC ZINC000109803339 186273834 /nfs/dbraw/zinc/27/38/34/186273834.db2.gz BHXPMCGUQODLOC-HNNXBMFYSA-N 1 2 260.337 2.380 20 30 CEEDLO N#Cc1cccc(OC2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000111226365 186371541 /nfs/dbraw/zinc/37/15/41/186371541.db2.gz VZUJNOMAWIMQQV-UHFFFAOYSA-N 1 2 282.347 2.325 20 30 CEEDLO N#Cc1cccc(OC2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000111226365 186371543 /nfs/dbraw/zinc/37/15/43/186371543.db2.gz VZUJNOMAWIMQQV-UHFFFAOYSA-N 1 2 282.347 2.325 20 30 CEEDLO CC#CC[NH2+]Cc1cn(-c2ccc(C(F)(F)F)cc2)nn1 ZINC000630605282 351804116 /nfs/dbraw/zinc/80/41/16/351804116.db2.gz XWZRIUCXLVYXAI-UHFFFAOYSA-N 1 2 294.280 2.399 20 30 CEEDLO C=CCOCCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000124189858 187126319 /nfs/dbraw/zinc/12/63/19/187126319.db2.gz NRFYWGAHNLMHHS-GJZGRUSLSA-N 1 2 291.395 2.275 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](C3CCCCC3)C2)C1=O ZINC000337214405 366081973 /nfs/dbraw/zinc/08/19/73/366081973.db2.gz XLCDAUDFTOEUDP-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](C3CCCCC3)C2)C1=O ZINC000337214405 366081979 /nfs/dbraw/zinc/08/19/79/366081979.db2.gz XLCDAUDFTOEUDP-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000150957892 187935658 /nfs/dbraw/zinc/93/56/58/187935658.db2.gz PQDUBBFRFARXPR-MRXNPFEDSA-N 1 2 292.423 2.078 20 30 CEEDLO COCCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OC ZINC000132304342 366133166 /nfs/dbraw/zinc/13/31/66/366133166.db2.gz VVKSGDHNNHRTDQ-CYBMUJFWSA-N 1 2 292.379 2.454 20 30 CEEDLO 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N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)o1 ZINC000372415469 374124318 /nfs/dbraw/zinc/12/43/18/374124318.db2.gz GXYDYLDEIQAPCA-HNNXBMFYSA-N 1 2 287.363 2.128 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277186550 374430961 /nfs/dbraw/zinc/43/09/61/374430961.db2.gz LRGGQQZIFNXLQB-XEKQOVJPSA-N 1 2 276.405 2.462 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277186550 374430966 /nfs/dbraw/zinc/43/09/66/374430966.db2.gz LRGGQQZIFNXLQB-XEKQOVJPSA-N 1 2 276.405 2.462 20 30 CEEDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000374214400 374514843 /nfs/dbraw/zinc/51/48/43/374514843.db2.gz ZQDFECKWBGSTJA-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C=C(C)CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375433416 374657986 /nfs/dbraw/zinc/65/79/86/374657986.db2.gz PLSCXJVZPMMZIC-ZIAGYGMSSA-N 1 2 273.380 2.188 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000375526606 374662001 /nfs/dbraw/zinc/66/20/01/374662001.db2.gz RQHRYDVREJFYTH-HNNXBMFYSA-N 1 2 294.358 2.312 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000279680971 374953509 /nfs/dbraw/zinc/95/35/09/374953509.db2.gz GUVPNMCJVYTKGF-UHFFFAOYSA-N 1 2 279.405 2.252 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000279680971 374953516 /nfs/dbraw/zinc/95/35/16/374953516.db2.gz GUVPNMCJVYTKGF-UHFFFAOYSA-N 1 2 279.405 2.252 20 30 CEEDLO Cc1cc(C#N)nc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000280673337 375279058 /nfs/dbraw/zinc/27/90/58/375279058.db2.gz CQGNEHMDIHBMID-UHFFFAOYSA-N 1 2 280.335 2.396 20 30 CEEDLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000408360799 375461559 /nfs/dbraw/zinc/46/15/59/375461559.db2.gz ZIILGDZRHKQEMF-CVEARBPZSA-N 1 2 283.375 2.110 20 30 CEEDLO Cc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000408360799 375461562 /nfs/dbraw/zinc/46/15/62/375461562.db2.gz ZIILGDZRHKQEMF-CVEARBPZSA-N 1 2 283.375 2.110 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375954683 296232296 /nfs/dbraw/zinc/23/22/96/296232296.db2.gz NVJNJNGEUUGQLO-NQCMUKECSA-N 1 2 276.405 2.320 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375954683 296232297 /nfs/dbraw/zinc/23/22/97/296232297.db2.gz NVJNJNGEUUGQLO-NQCMUKECSA-N 1 2 276.405 2.320 20 30 CEEDLO Cc1nsc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1C#N ZINC000286255201 375888545 /nfs/dbraw/zinc/88/85/45/375888545.db2.gz PMLQWXRIQUZSCC-NSHDSACASA-N 1 2 285.376 2.409 20 30 CEEDLO N#Cc1c(C[N@H+]2CCC[C@@](F)(CO)C2)cn2ccccc12 ZINC000287078836 376145258 /nfs/dbraw/zinc/14/52/58/376145258.db2.gz VJOJRENWJVGGPD-INIZCTEOSA-N 1 2 287.338 2.107 20 30 CEEDLO N#Cc1c(C[N@@H+]2CCC[C@@](F)(CO)C2)cn2ccccc12 ZINC000287078836 376145263 /nfs/dbraw/zinc/14/52/63/376145263.db2.gz VJOJRENWJVGGPD-INIZCTEOSA-N 1 2 287.338 2.107 20 30 CEEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000289819569 376518055 /nfs/dbraw/zinc/51/80/55/376518055.db2.gz NNIBPUVCEZAVDH-UHFFFAOYSA-N 1 2 276.340 2.401 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000263950469 190086509 /nfs/dbraw/zinc/08/65/09/190086509.db2.gz OPJSLIOHJJGCNN-AWEZNQCLSA-N 1 2 280.331 2.301 20 30 CEEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000264227022 190097859 /nfs/dbraw/zinc/09/78/59/190097859.db2.gz HWFOOWVBUAQCIT-KBPBESRZSA-N 1 2 288.395 2.091 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000289998221 376596256 /nfs/dbraw/zinc/59/62/56/376596256.db2.gz KYGYJLYNDNJUQT-VFVRVIDISA-N 1 2 261.390 2.009 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000289998221 376596260 /nfs/dbraw/zinc/59/62/60/376596260.db2.gz KYGYJLYNDNJUQT-VFVRVIDISA-N 1 2 261.390 2.009 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334326874 206374568 /nfs/dbraw/zinc/37/45/68/206374568.db2.gz HAJOFIRACSECCS-CQSZACIVSA-N 1 2 294.358 2.230 20 30 CEEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H]1C ZINC000328604239 376858056 /nfs/dbraw/zinc/85/80/56/376858056.db2.gz IKDJRSRLFWHQEK-AGIUHOORSA-N 1 2 276.384 2.405 20 30 CEEDLO CC1(C)C[C@@H]1CNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328611958 376861266 /nfs/dbraw/zinc/86/12/66/376861266.db2.gz OXTBSROZVWCJBS-VXGBXAGGSA-N 1 2 276.384 2.310 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2cccc(CN3CCOCC3)[nH+]2)C1 ZINC000562463595 376902330 /nfs/dbraw/zinc/90/23/30/376902330.db2.gz WJWUQDONKRUTQV-KGLIPLIRSA-N 1 2 286.379 2.018 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000328814233 376903138 /nfs/dbraw/zinc/90/31/38/376903138.db2.gz GFVUIPQCNWJNQH-VXGBXAGGSA-N 1 2 292.383 2.218 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000328814233 376903142 /nfs/dbraw/zinc/90/31/42/376903142.db2.gz GFVUIPQCNWJNQH-VXGBXAGGSA-N 1 2 292.383 2.218 20 30 CEEDLO CCN(C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000328710786 376883331 /nfs/dbraw/zinc/88/33/31/376883331.db2.gz MWNCFBPYGKZNAF-LBPRGKRZSA-N 1 2 276.384 2.467 20 30 CEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000328897538 376918395 /nfs/dbraw/zinc/91/83/95/376918395.db2.gz XLLIACBGFTZQPT-GXFFZTMASA-N 1 2 294.399 2.124 20 30 CEEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000328897538 376918401 /nfs/dbraw/zinc/91/84/01/376918401.db2.gz XLLIACBGFTZQPT-GXFFZTMASA-N 1 2 294.399 2.124 20 30 CEEDLO CCC[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000329399285 376959835 /nfs/dbraw/zinc/95/98/35/376959835.db2.gz VMHVMMXUVVWPJJ-DOMZBBRYSA-N 1 2 277.368 2.361 20 30 CEEDLO C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000329664544 376985362 /nfs/dbraw/zinc/98/53/62/376985362.db2.gz QLNMJQZITFECNM-HZMBPMFUSA-N 1 2 259.309 2.206 20 30 CEEDLO CC[C@H](NC(=O)Nc1cc[nH+]cc1C)C1CCOCC1 ZINC000330593934 377195427 /nfs/dbraw/zinc/19/54/27/377195427.db2.gz SREOMLGEHJRWHI-ZDUSSCGKSA-N 1 2 277.368 2.343 20 30 CEEDLO CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2C)C1 ZINC000330999130 377230589 /nfs/dbraw/zinc/23/05/89/377230589.db2.gz ZDTQUJVKROMALJ-NWDGAFQWSA-N 1 2 296.440 2.440 20 30 CEEDLO CC#CC[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000292976780 377379729 /nfs/dbraw/zinc/37/97/29/377379729.db2.gz AZWUQQMFDCLWSG-INIZCTEOSA-N 1 2 281.359 2.009 20 30 CEEDLO CC#CC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000292976780 377379736 /nfs/dbraw/zinc/37/97/36/377379736.db2.gz AZWUQQMFDCLWSG-INIZCTEOSA-N 1 2 281.359 2.009 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1c(Br)cnn1C ZINC000426154914 377394442 /nfs/dbraw/zinc/39/44/42/377394442.db2.gz XHINBGPDELSKFV-UHFFFAOYSA-N 1 2 258.163 2.191 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1c(Br)cnn1C ZINC000426154914 377394453 /nfs/dbraw/zinc/39/44/53/377394453.db2.gz XHINBGPDELSKFV-UHFFFAOYSA-N 1 2 258.163 2.191 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(C)cn1 ZINC000428857985 377501703 /nfs/dbraw/zinc/50/17/03/377501703.db2.gz WFQMEUPYIAZSPI-UHFFFAOYSA-N 1 2 272.352 2.120 20 30 CEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(C)cn1 ZINC000428857985 377501709 /nfs/dbraw/zinc/50/17/09/377501709.db2.gz WFQMEUPYIAZSPI-UHFFFAOYSA-N 1 2 272.352 2.120 20 30 CEEDLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(C#N)cc1F ZINC000427864314 377459516 /nfs/dbraw/zinc/45/95/16/377459516.db2.gz DXYADNIZJHXHRS-SECBINFHSA-N 1 2 287.294 2.240 20 30 CEEDLO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331550076 377470400 /nfs/dbraw/zinc/47/04/00/377470400.db2.gz IDEFFGPANAFBMT-KRWDZBQOSA-N 1 2 296.374 2.472 20 30 CEEDLO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331550076 377470407 /nfs/dbraw/zinc/47/04/07/377470407.db2.gz IDEFFGPANAFBMT-KRWDZBQOSA-N 1 2 296.374 2.472 20 30 CEEDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000565166614 377582641 /nfs/dbraw/zinc/58/26/41/377582641.db2.gz SCQAXTXCMNHXDL-UHFFFAOYSA-N 1 2 281.363 2.499 20 30 CEEDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000565166614 377582646 /nfs/dbraw/zinc/58/26/46/377582646.db2.gz SCQAXTXCMNHXDL-UHFFFAOYSA-N 1 2 281.363 2.499 20 30 CEEDLO N#Cc1cccc(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000265479330 190185535 /nfs/dbraw/zinc/18/55/35/190185535.db2.gz CFKJQMRUHUQIBN-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1cccc(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000265479330 190185536 /nfs/dbraw/zinc/18/55/36/190185536.db2.gz CFKJQMRUHUQIBN-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO COc1cc[nH+]cc1CNc1nccc(C)c1C#N ZINC000431424274 377641452 /nfs/dbraw/zinc/64/14/52/377641452.db2.gz ZIZZTQSUTKUGME-UHFFFAOYSA-N 1 2 254.293 2.277 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433301905 377784312 /nfs/dbraw/zinc/78/43/12/377784312.db2.gz HBFINUZPRVRAKM-CYBMUJFWSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433301905 377784321 /nfs/dbraw/zinc/78/43/21/377784321.db2.gz HBFINUZPRVRAKM-CYBMUJFWSA-N 1 2 265.401 2.259 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-n2cccc2)c1 ZINC000567276593 377817059 /nfs/dbraw/zinc/81/70/59/377817059.db2.gz OPIVJIKGEFLDAP-QGZVFWFLSA-N 1 2 296.374 2.051 20 30 CEEDLO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433305406 377787665 /nfs/dbraw/zinc/78/76/65/377787665.db2.gz PYAAVTGHHXQANN-LBPRGKRZSA-N 1 2 291.370 2.484 20 30 CEEDLO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433305406 377787667 /nfs/dbraw/zinc/78/76/67/377787667.db2.gz PYAAVTGHHXQANN-LBPRGKRZSA-N 1 2 291.370 2.484 20 30 CEEDLO C=CCOc1ccc(CC(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000294435784 377987375 /nfs/dbraw/zinc/98/73/75/377987375.db2.gz NZPKCXHMMVEBFV-UHFFFAOYSA-N 1 2 299.374 2.186 20 30 CEEDLO C=CC(C)(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000294524985 377994811 /nfs/dbraw/zinc/99/48/11/377994811.db2.gz LTLNWHXGIUHPMO-UHFFFAOYSA-N 1 2 257.337 2.471 20 30 CEEDLO CCN(CC)c1ccc(CNC(=O)[C@]2(C#N)C[C@H]2C)c[nH+]1 ZINC000448715198 378180716 /nfs/dbraw/zinc/18/07/16/378180716.db2.gz CWQIMVBSMVMKGQ-WBMJQRKESA-N 1 2 286.379 2.094 20 30 CEEDLO Cc1cccc(CCCNc2nccc(C#N)n2)[nH+]1 ZINC000295646109 378249696 /nfs/dbraw/zinc/24/96/96/378249696.db2.gz FRPHDCCMRGGPKZ-UHFFFAOYSA-N 1 2 253.309 2.096 20 30 CEEDLO C=CCCC[N@@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450422330 378407666 /nfs/dbraw/zinc/40/76/66/378407666.db2.gz MYVBIMXVHKGQTI-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C=CCCC[N@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450422330 378407668 /nfs/dbraw/zinc/40/76/68/378407668.db2.gz MYVBIMXVHKGQTI-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC2(C#N)CCC2)CC1 ZINC000450435137 378414488 /nfs/dbraw/zinc/41/44/88/378414488.db2.gz OHYCLUDNNOPUBQ-OAHLLOKOSA-N 1 2 284.407 2.454 20 30 CEEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450583532 378485730 /nfs/dbraw/zinc/48/57/30/378485730.db2.gz MLYBZJNQQLXVEL-CYBMUJFWSA-N 1 2 271.364 2.229 20 30 CEEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC1(C#N)CCC1 ZINC000450583532 378485736 /nfs/dbraw/zinc/48/57/36/378485736.db2.gz MLYBZJNQQLXVEL-CYBMUJFWSA-N 1 2 271.364 2.229 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000450722999 378548263 /nfs/dbraw/zinc/54/82/63/378548263.db2.gz FVENIBXBYZFIGX-CYBMUJFWSA-N 1 2 290.411 2.309 20 30 CEEDLO C=CC(C)(C)CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000450722999 378548265 /nfs/dbraw/zinc/54/82/65/378548265.db2.gz FVENIBXBYZFIGX-CYBMUJFWSA-N 1 2 290.411 2.309 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000347005015 218089928 /nfs/dbraw/zinc/08/99/28/218089928.db2.gz KZSIAZHAWOUACF-TVQRCGJNSA-N 1 2 295.180 2.133 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000347005015 218089929 /nfs/dbraw/zinc/08/99/29/218089929.db2.gz KZSIAZHAWOUACF-TVQRCGJNSA-N 1 2 295.180 2.133 20 30 CEEDLO CC(C)CN1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)CC1=O ZINC000299336792 378966752 /nfs/dbraw/zinc/96/67/52/378966752.db2.gz OOMBCKZMLUGUHE-CQSZACIVSA-N 1 2 285.391 2.419 20 30 CEEDLO CC(C)CN1CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1=O ZINC000299336792 378966756 /nfs/dbraw/zinc/96/67/56/378966756.db2.gz OOMBCKZMLUGUHE-CQSZACIVSA-N 1 2 285.391 2.419 20 30 CEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000454708115 379035226 /nfs/dbraw/zinc/03/52/26/379035226.db2.gz MFGYXBHAVVNJKX-UHFFFAOYSA-N 1 2 296.374 2.140 20 30 CEEDLO N#Cc1cccc(NCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000301298310 379250922 /nfs/dbraw/zinc/25/09/22/379250922.db2.gz ZDTGWZWEIMQDOU-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000303039002 379481232 /nfs/dbraw/zinc/48/12/32/379481232.db2.gz KQJHJSJEZSJYQQ-HNNXBMFYSA-N 1 2 296.374 2.009 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](O)C2)c1C#N ZINC000303039002 379481244 /nfs/dbraw/zinc/48/12/44/379481244.db2.gz KQJHJSJEZSJYQQ-HNNXBMFYSA-N 1 2 296.374 2.009 20 30 CEEDLO C=C(Cl)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266897192 190288862 /nfs/dbraw/zinc/28/88/62/190288862.db2.gz OKZYOVIJIVOBLP-UHFFFAOYSA-N 1 2 294.782 2.001 20 30 CEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000267014483 190297434 /nfs/dbraw/zinc/29/74/34/190297434.db2.gz ATGCQVKLNJHYKG-CQSZACIVSA-N 1 2 297.402 2.249 20 30 CEEDLO C=CCC1(NC(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000457476129 379813763 /nfs/dbraw/zinc/81/37/63/379813763.db2.gz VFVRSZVHVRTUIJ-UHFFFAOYSA-N 1 2 276.384 2.461 20 30 CEEDLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412676 380062987 /nfs/dbraw/zinc/06/29/87/380062987.db2.gz NJPLONZMYWQNFC-QWRGUYRKSA-N 1 2 289.335 2.200 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528767177 380085822 /nfs/dbraw/zinc/08/58/22/380085822.db2.gz LMLKFSNRNBZOLT-WCQYABFASA-N 1 2 287.354 2.160 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528767177 380085827 /nfs/dbraw/zinc/08/58/27/380085827.db2.gz LMLKFSNRNBZOLT-WCQYABFASA-N 1 2 287.354 2.160 20 30 CEEDLO C/C=C/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000490605634 380253342 /nfs/dbraw/zinc/25/33/42/380253342.db2.gz KURLZPQBHOJOPD-IAROGAJJSA-N 1 2 295.386 2.335 20 30 CEEDLO Cc1nn2c(nc(C)c2CNc2cc(CC#N)cc[nH+]2)s1 ZINC000545219255 380375580 /nfs/dbraw/zinc/37/55/80/380375580.db2.gz SLLUPSVBWVFUPV-UHFFFAOYSA-N 1 2 298.375 2.481 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000544058960 380348569 /nfs/dbraw/zinc/34/85/69/380348569.db2.gz MMPRHYBUXZSOAK-AWEZNQCLSA-N 1 2 268.320 2.473 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000544058960 380348574 /nfs/dbraw/zinc/34/85/74/380348574.db2.gz MMPRHYBUXZSOAK-AWEZNQCLSA-N 1 2 268.320 2.473 20 30 CEEDLO N#Cc1cscc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334444053 380421451 /nfs/dbraw/zinc/42/14/51/380421451.db2.gz DMPSQUOLKRAEBO-SNVBAGLBSA-N 1 2 286.360 2.363 20 30 CEEDLO COC(=O)c1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000548425115 380514364 /nfs/dbraw/zinc/51/43/64/380514364.db2.gz OOQIVBDPWPBIJN-GHMZBOCLSA-N 1 2 258.321 2.328 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548098013 380484217 /nfs/dbraw/zinc/48/42/17/380484217.db2.gz BOBIMFRISNNYKA-UHIISALHSA-N 1 2 258.321 2.255 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548098013 380484220 /nfs/dbraw/zinc/48/42/20/380484220.db2.gz BOBIMFRISNNYKA-UHIISALHSA-N 1 2 258.321 2.255 20 30 CEEDLO N#Cc1cccc(C[NH+]2CCC(O)(C(F)F)CC2)c1F ZINC000334573299 380620005 /nfs/dbraw/zinc/62/00/05/380620005.db2.gz XZDSWNQKWPGVSI-UHFFFAOYSA-N 1 2 284.281 2.289 20 30 CEEDLO N#Cc1cscc1C(=O)NCCCCn1cc[nH+]c1 ZINC000550713752 380628629 /nfs/dbraw/zinc/62/86/29/380628629.db2.gz IYLZSBXRLWZFKS-UHFFFAOYSA-N 1 2 274.349 2.026 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C1CC1)C1(C#N)CCC1 ZINC000492873491 380716291 /nfs/dbraw/zinc/71/62/91/380716291.db2.gz YCIDKHXWLMVRKB-VOTSOKGWSA-N 1 2 284.363 2.353 20 30 CEEDLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC000492905243 380726089 /nfs/dbraw/zinc/72/60/89/380726089.db2.gz ZHQFOKXHQSJZRB-JMEBYUIHSA-N 1 2 266.304 2.172 20 30 CEEDLO N#Cc1nc(N2CC(n3cc[nH+]c3)C2)ccc1C(F)(F)F ZINC000554523522 380778748 /nfs/dbraw/zinc/77/87/48/380778748.db2.gz CALOTKHTWHUANW-UHFFFAOYSA-N 1 2 293.252 2.230 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000493608963 381085441 /nfs/dbraw/zinc/08/54/41/381085441.db2.gz GLECUBRBJRLMNM-FWWRYZNZSA-N 1 2 286.379 2.457 20 30 CEEDLO CCc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000493794754 381146437 /nfs/dbraw/zinc/14/64/37/381146437.db2.gz RLAHGDXNPOAJOB-QXPKXGMISA-N 1 2 285.391 2.222 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000494685893 381162292 /nfs/dbraw/zinc/16/22/92/381162292.db2.gz MAMOEQYDKURMLK-UHFFFAOYSA-N 1 2 292.364 2.163 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000494685893 381162300 /nfs/dbraw/zinc/16/23/00/381162300.db2.gz MAMOEQYDKURMLK-UHFFFAOYSA-N 1 2 292.364 2.163 20 30 CEEDLO N#CCN1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000092936196 184635862 /nfs/dbraw/zinc/63/58/62/184635862.db2.gz ZUVGTNMLKJFELS-UHFFFAOYSA-N 1 2 267.735 2.120 20 30 CEEDLO COC[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000330012216 532957319 /nfs/dbraw/zinc/95/73/19/532957319.db2.gz KFGCVWJDBMMEFR-LSDHHAIUSA-N 1 2 296.411 2.011 20 30 CEEDLO COC[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000330012216 532957324 /nfs/dbraw/zinc/95/73/24/532957324.db2.gz KFGCVWJDBMMEFR-LSDHHAIUSA-N 1 2 296.411 2.011 20 30 CEEDLO C[C@H]1[N@H+](Cc2cnc3ccc(C#N)cn23)CCOC1(C)C ZINC000353880648 220384181 /nfs/dbraw/zinc/38/41/81/220384181.db2.gz JTYXKGOETHHSEJ-GFCCVEGCSA-N 1 2 284.363 2.205 20 30 CEEDLO C[C@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CCOC1(C)C ZINC000353880648 220384183 /nfs/dbraw/zinc/38/41/83/220384183.db2.gz JTYXKGOETHHSEJ-GFCCVEGCSA-N 1 2 284.363 2.205 20 30 CEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)s1 ZINC000281426854 195236170 /nfs/dbraw/zinc/23/61/70/195236170.db2.gz ZEVFEKIMAXFLMN-SNVBAGLBSA-N 1 2 266.366 2.393 20 30 CEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)s1 ZINC000281426854 195236173 /nfs/dbraw/zinc/23/61/73/195236173.db2.gz ZEVFEKIMAXFLMN-SNVBAGLBSA-N 1 2 266.366 2.393 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000353414857 533394845 /nfs/dbraw/zinc/39/48/45/533394845.db2.gz CLQCLFJTNXGSIG-VIFPVBQESA-N 1 2 260.263 2.179 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000353414857 533394853 /nfs/dbraw/zinc/39/48/53/533394853.db2.gz CLQCLFJTNXGSIG-VIFPVBQESA-N 1 2 260.263 2.179 20 30 CEEDLO N#Cc1ccc(OCCNc2cc(NC3CC3)nc[nH+]2)cc1 ZINC000413168359 394496634 /nfs/dbraw/zinc/49/66/34/394496634.db2.gz KKZMZRIAKCNRPE-UHFFFAOYSA-N 1 2 295.346 2.413 20 30 CEEDLO N#Cc1ccc(OCCNc2cc(NC3CC3)[nH+]cn2)cc1 ZINC000413168359 394496638 /nfs/dbraw/zinc/49/66/38/394496638.db2.gz KKZMZRIAKCNRPE-UHFFFAOYSA-N 1 2 295.346 2.413 20 30 CEEDLO C=CCCC[C@H](C)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413229652 394508265 /nfs/dbraw/zinc/50/82/65/394508265.db2.gz RJKGXZDZIPSVBW-RYUDHWBXSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CCCC[C@H](C)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413229652 394508268 /nfs/dbraw/zinc/50/82/68/394508268.db2.gz RJKGXZDZIPSVBW-RYUDHWBXSA-N 1 2 264.373 2.426 20 30 CEEDLO C[C@H](CC1CC1)[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329901098 394593318 /nfs/dbraw/zinc/59/33/18/394593318.db2.gz OHRZQWDQMUYXCP-DGCLKSJQSA-N 1 2 276.384 2.138 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(C2CC2)CCOCC1 ZINC000329637687 394578301 /nfs/dbraw/zinc/57/83/01/394578301.db2.gz VSMDZJOZEVJVPJ-UHFFFAOYSA-N 1 2 263.341 2.381 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(C(F)F)CC1 ZINC000329741546 394583097 /nfs/dbraw/zinc/58/30/97/394583097.db2.gz OTMCNEFDYLMAFQ-SNVBAGLBSA-N 1 2 298.337 2.158 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(C(F)F)CC1 ZINC000329741546 394583099 /nfs/dbraw/zinc/58/30/99/394583099.db2.gz OTMCNEFDYLMAFQ-SNVBAGLBSA-N 1 2 298.337 2.158 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413278456 394517759 /nfs/dbraw/zinc/51/77/59/394517759.db2.gz YWONKUIGTIPLLR-WDEREUQCSA-N 1 2 250.346 2.036 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413278456 394517762 /nfs/dbraw/zinc/51/77/62/394517762.db2.gz YWONKUIGTIPLLR-WDEREUQCSA-N 1 2 250.346 2.036 20 30 CEEDLO C[C@H](C(=O)N[C@H]1CCc2cn[nH]c2C1)[NH+]1CCCCCC1 ZINC000329841559 394589100 /nfs/dbraw/zinc/58/91/00/394589100.db2.gz KDLFPFIKRBOOAY-OCCSQVGLSA-N 1 2 290.411 2.488 20 30 CEEDLO Cc1ccc(Cc2noc(-c3ccc(C#N)nc3)n2)c[nH+]1 ZINC000356154899 394549271 /nfs/dbraw/zinc/54/92/71/394549271.db2.gz UIIDZDCLDUUSKR-UHFFFAOYSA-N 1 2 277.287 2.298 20 30 CEEDLO CCN(CC)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330393235 394604178 /nfs/dbraw/zinc/60/41/78/394604178.db2.gz HUTYBLVFMFYNOS-UHFFFAOYSA-N 1 2 264.373 2.018 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000330616403 394621822 /nfs/dbraw/zinc/62/18/22/394621822.db2.gz VDSSGAPRQNUTKU-QWHCGFSZSA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000330616403 394621823 /nfs/dbraw/zinc/62/18/23/394621823.db2.gz VDSSGAPRQNUTKU-QWHCGFSZSA-N 1 2 265.401 2.163 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)C1 ZINC000331243603 394629417 /nfs/dbraw/zinc/62/94/17/394629417.db2.gz OKJXQTSONKABRK-BXUZGUMPSA-N 1 2 258.321 2.114 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C1 ZINC000331243603 394629419 /nfs/dbraw/zinc/62/94/19/394629419.db2.gz OKJXQTSONKABRK-BXUZGUMPSA-N 1 2 258.321 2.114 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2ncc(C3CC3)o2)cc1 ZINC000270458221 394734920 /nfs/dbraw/zinc/73/49/20/394734920.db2.gz QGQOONXYUHRLTP-UHFFFAOYSA-N 1 2 287.319 2.398 20 30 CEEDLO C=CCCCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000359195129 394744005 /nfs/dbraw/zinc/74/40/05/394744005.db2.gz XSNNDNLJCVOZTK-UHFFFAOYSA-N 1 2 275.274 2.418 20 30 CEEDLO N#CCC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000334305482 394672920 /nfs/dbraw/zinc/67/29/20/394672920.db2.gz FGSHMCZXALALSI-UHFFFAOYSA-N 1 2 283.335 2.492 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000269614806 394719400 /nfs/dbraw/zinc/71/94/00/394719400.db2.gz NPWTXWMZFGQAPY-CQSZACIVSA-N 1 2 297.362 2.264 20 30 CEEDLO C=CCN(CCC#N)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000359440264 394755365 /nfs/dbraw/zinc/75/53/65/394755365.db2.gz MSTKKVJTGWMVKX-HUUCEWRRSA-N 1 2 298.390 2.082 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000335909877 394811001 /nfs/dbraw/zinc/81/10/01/394811001.db2.gz SIAMGCYKXQZAMQ-LLVKDONJSA-N 1 2 262.275 2.069 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000335909877 394811004 /nfs/dbraw/zinc/81/10/04/394811004.db2.gz SIAMGCYKXQZAMQ-LLVKDONJSA-N 1 2 262.275 2.069 20 30 CEEDLO C=CCN(CCOC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000361092614 394815992 /nfs/dbraw/zinc/81/59/92/394815992.db2.gz LSNOGOVFTKGANJ-UHFFFAOYSA-N 1 2 299.374 2.206 20 30 CEEDLO Cc1cccn2cc(CC(=O)N3CCC(CC#N)CC3)[nH+]c12 ZINC000336337720 394845360 /nfs/dbraw/zinc/84/53/60/394845360.db2.gz KNKSJQMKRDYNIF-UHFFFAOYSA-N 1 2 296.374 2.338 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364951027 394916893 /nfs/dbraw/zinc/91/68/93/394916893.db2.gz POUUEUJCUYYIIC-CHWSQXEVSA-N 1 2 261.369 2.307 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339058607 394939383 /nfs/dbraw/zinc/93/93/83/394939383.db2.gz XRIASRVHBNYFTE-INIZCTEOSA-N 1 2 272.348 2.134 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339058607 394939387 /nfs/dbraw/zinc/93/93/87/394939387.db2.gz XRIASRVHBNYFTE-INIZCTEOSA-N 1 2 272.348 2.134 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](Nc1ncccc1C#N)C1CCOCC1 ZINC000284466002 394945322 /nfs/dbraw/zinc/94/53/22/394945322.db2.gz DEWJARMZKBIAQP-AWEZNQCLSA-N 1 2 297.362 2.267 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2ncccc2C1 ZINC000366436057 394945420 /nfs/dbraw/zinc/94/54/20/394945420.db2.gz IXWOKIHRWSJUMS-CQSZACIVSA-N 1 2 285.391 2.029 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2ncccc2C1 ZINC000366436057 394945423 /nfs/dbraw/zinc/94/54/23/394945423.db2.gz IXWOKIHRWSJUMS-CQSZACIVSA-N 1 2 285.391 2.029 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2ncccc2C1 ZINC000366436055 394945668 /nfs/dbraw/zinc/94/56/68/394945668.db2.gz IXWOKIHRWSJUMS-AWEZNQCLSA-N 1 2 285.391 2.029 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2ncccc2C1 ZINC000366436055 394945669 /nfs/dbraw/zinc/94/56/69/394945669.db2.gz IXWOKIHRWSJUMS-AWEZNQCLSA-N 1 2 285.391 2.029 20 30 CEEDLO N#Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1F ZINC000152124604 394988106 /nfs/dbraw/zinc/98/81/06/394988106.db2.gz OVALWNBBXJLYKO-JTQLQIEISA-N 1 2 284.294 2.095 20 30 CEEDLO NC(=[NH+]OCCCCCCO)c1ccc(F)c(F)c1 ZINC000134584985 394958234 /nfs/dbraw/zinc/95/82/34/394958234.db2.gz BFMALPFPEHEQNC-UHFFFAOYSA-N 1 2 272.295 2.154 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000134925550 394960537 /nfs/dbraw/zinc/96/05/37/394960537.db2.gz XZJAZSJDGOSQMU-INIZCTEOSA-N 1 2 284.363 2.486 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000339757348 394969486 /nfs/dbraw/zinc/96/94/86/394969486.db2.gz PXPACLDJQPZQLL-UHFFFAOYSA-N 1 2 274.364 2.034 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000339757348 394969491 /nfs/dbraw/zinc/96/94/91/394969491.db2.gz PXPACLDJQPZQLL-UHFFFAOYSA-N 1 2 274.364 2.034 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000339758054 394969711 /nfs/dbraw/zinc/96/97/11/394969711.db2.gz ZSFUNOYIOHFIQE-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000339758054 394969714 /nfs/dbraw/zinc/96/97/14/394969714.db2.gz ZSFUNOYIOHFIQE-UHFFFAOYSA-N 1 2 250.729 2.234 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339771467 394970517 /nfs/dbraw/zinc/97/05/17/394970517.db2.gz LNKYAHZUWWTRBT-MRXNPFEDSA-N 1 2 292.423 2.078 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339771467 394970519 /nfs/dbraw/zinc/97/05/19/394970519.db2.gz LNKYAHZUWWTRBT-MRXNPFEDSA-N 1 2 292.423 2.078 20 30 CEEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)c3ccccc3)C2)cc1 ZINC000158579542 395048713 /nfs/dbraw/zinc/04/87/13/395048713.db2.gz VDGPKLBIMZSABT-SFHVURJKSA-N 1 2 294.354 2.355 20 30 CEEDLO Cc1cc(NCCc2ccc3c(c2)CCO3)c(C#N)c[nH+]1 ZINC000425221662 395051939 /nfs/dbraw/zinc/05/19/39/395051939.db2.gz FHVGFKLMEGKLHN-UHFFFAOYSA-N 1 2 279.343 2.273 20 30 CEEDLO Cc1cc(NCc2ccc(OCC3CC3)nc2)c(C#N)c[nH+]1 ZINC000425227722 395052994 /nfs/dbraw/zinc/05/29/94/395052994.db2.gz SCMROCLYCJGHGZ-UHFFFAOYSA-N 1 2 294.358 2.480 20 30 CEEDLO C#CCCCCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373141410 395055220 /nfs/dbraw/zinc/05/52/20/395055220.db2.gz VGAAOAZDGFGXOC-OAHLLOKOSA-N 1 2 285.391 2.360 20 30 CEEDLO C=C(C)CC[NH2+]c1ccc(OC)c(-n2nnnc2C)c1 ZINC000288763340 395065828 /nfs/dbraw/zinc/06/58/28/395065828.db2.gz SUAAIYZNQLCLTQ-UHFFFAOYSA-N 1 2 273.340 2.357 20 30 CEEDLO C=CC[C@H](CC)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000374155996 395075007 /nfs/dbraw/zinc/07/50/07/395075007.db2.gz DOMTWICYNXWZAV-HNNXBMFYSA-N 1 2 293.455 2.018 20 30 CEEDLO C[C@H](C#N)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000345821828 395079289 /nfs/dbraw/zinc/07/92/89/395079289.db2.gz WKAGVGIQFYPGKB-SNVBAGLBSA-N 1 2 278.381 2.227 20 30 CEEDLO C=C(C)C[N@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000289927690 395091580 /nfs/dbraw/zinc/09/15/80/395091580.db2.gz VAASLVUFGYAEKZ-NSHDSACASA-N 1 2 250.346 2.054 20 30 CEEDLO C=C(C)C[N@@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000289927690 395091583 /nfs/dbraw/zinc/09/15/83/395091583.db2.gz VAASLVUFGYAEKZ-NSHDSACASA-N 1 2 250.346 2.054 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1 ZINC000375935378 395104183 /nfs/dbraw/zinc/10/41/83/395104183.db2.gz ZZRGMQCVIRBGAL-XOBRGWDASA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1 ZINC000375935378 395104185 /nfs/dbraw/zinc/10/41/85/395104185.db2.gz ZZRGMQCVIRBGAL-XOBRGWDASA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376198403 395112384 /nfs/dbraw/zinc/11/23/84/395112384.db2.gz JPTQVDHFGSYSDB-INIZCTEOSA-N 1 2 293.370 2.108 20 30 CEEDLO CCOC(=O)[C@@H](C)C/[NH+]=C/c1cc(OCC)ccc1O ZINC000175900196 395135314 /nfs/dbraw/zinc/13/53/14/395135314.db2.gz CYQHVHZQNLETGV-YAFRSCOQSA-N 1 2 279.336 2.409 20 30 CEEDLO COc1cccc2c1CC[N@H+](C[C@@H](C#N)CCC#N)C2 ZINC000182685026 395246295 /nfs/dbraw/zinc/24/62/95/395246295.db2.gz PLOVZRAYCUZRTO-CYBMUJFWSA-N 1 2 269.348 2.497 20 30 CEEDLO COc1cccc2c1CC[N@@H+](C[C@@H](C#N)CCC#N)C2 ZINC000182685026 395246301 /nfs/dbraw/zinc/24/63/01/395246301.db2.gz PLOVZRAYCUZRTO-CYBMUJFWSA-N 1 2 269.348 2.497 20 30 CEEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352442787 395254311 /nfs/dbraw/zinc/25/43/11/395254311.db2.gz XIHZUSXPUBCJBT-CQSZACIVSA-N 1 2 289.354 2.144 20 30 CEEDLO N#Cc1nc(N2CCn3cc[nH+]c3C2)ccc1C(F)(F)F ZINC000516844721 395183863 /nfs/dbraw/zinc/18/38/63/395183863.db2.gz HRERASZWRMEMQT-UHFFFAOYSA-N 1 2 293.252 2.189 20 30 CEEDLO CCOC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000528725630 395294286 /nfs/dbraw/zinc/29/42/86/395294286.db2.gz RSNRPDVOSUOFJK-CJNGLKHVSA-N 1 2 274.364 2.357 20 30 CEEDLO CCOC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000528725630 395294291 /nfs/dbraw/zinc/29/42/91/395294291.db2.gz RSNRPDVOSUOFJK-CJNGLKHVSA-N 1 2 274.364 2.357 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+](C(C)C)C1COC1 ZINC000295410229 395294422 /nfs/dbraw/zinc/29/44/22/395294422.db2.gz MTVNODGDRDRHTF-UHFFFAOYSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+](C(C)C)C1COC1 ZINC000295410229 395294428 /nfs/dbraw/zinc/29/44/28/395294428.db2.gz MTVNODGDRDRHTF-UHFFFAOYSA-N 1 2 260.337 2.176 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000411316980 395327413 /nfs/dbraw/zinc/32/74/13/395327413.db2.gz NJWUYTKTEWJLSH-OLZOCXBDSA-N 1 2 294.420 2.382 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000411316980 395327416 /nfs/dbraw/zinc/32/74/16/395327416.db2.gz NJWUYTKTEWJLSH-OLZOCXBDSA-N 1 2 294.420 2.382 20 30 CEEDLO COC(=O)c1oc(C[NH+]2CCC(F)(C#N)CC2)cc1C ZINC000352480480 395258784 /nfs/dbraw/zinc/25/87/84/395258784.db2.gz CNBSYQODYWSDDC-UHFFFAOYSA-N 1 2 280.299 2.202 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(C)C ZINC000352922150 395276730 /nfs/dbraw/zinc/27/67/30/395276730.db2.gz OFSGWZPBBFLMCC-CQSZACIVSA-N 1 2 292.427 2.319 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N(C)C ZINC000352922150 395276734 /nfs/dbraw/zinc/27/67/34/395276734.db2.gz OFSGWZPBBFLMCC-CQSZACIVSA-N 1 2 292.427 2.319 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000354343533 395328765 /nfs/dbraw/zinc/32/87/65/395328765.db2.gz NUALTPIJEJCVSH-IUODEOHRSA-N 1 2 274.368 2.125 20 30 CEEDLO COc1cc(C[NH2+][C@@H](C)c2ccon2)ccc1C#N ZINC000440619004 395335890 /nfs/dbraw/zinc/33/58/90/395335890.db2.gz ZXEGMXWSXIETSI-JTQLQIEISA-N 1 2 257.293 2.406 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000194764251 395448349 /nfs/dbraw/zinc/44/83/49/395448349.db2.gz GDDIHFWNNYEIEP-UHFFFAOYSA-N 1 2 267.288 2.143 20 30 CEEDLO N#Cc1csc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000530741821 395457431 /nfs/dbraw/zinc/45/74/31/395457431.db2.gz UTVOZMKHPNLWPI-UHFFFAOYSA-N 1 2 274.349 2.026 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000566299074 395511018 /nfs/dbraw/zinc/51/10/18/395511018.db2.gz OUPSQCNTUBYUNS-HNNXBMFYSA-N 1 2 287.319 2.077 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000566299074 395511021 /nfs/dbraw/zinc/51/10/21/395511021.db2.gz OUPSQCNTUBYUNS-HNNXBMFYSA-N 1 2 287.319 2.077 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)c1ccccc1 ZINC000568181317 395549984 /nfs/dbraw/zinc/54/99/84/395549984.db2.gz POLLMPKXQUZOSH-QWHCGFSZSA-N 1 2 259.353 2.320 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C)S(C)(=O)=O ZINC000450276706 395570467 /nfs/dbraw/zinc/57/04/67/395570467.db2.gz JPACWVJFNCVKMY-CYBMUJFWSA-N 1 2 297.420 2.116 20 30 CEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C)S(C)(=O)=O ZINC000450276706 395570469 /nfs/dbraw/zinc/57/04/69/395570469.db2.gz JPACWVJFNCVKMY-CYBMUJFWSA-N 1 2 297.420 2.116 20 30 CEEDLO N#CCCNC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000569096053 395573400 /nfs/dbraw/zinc/57/34/00/395573400.db2.gz SHPNILLUMHTRJS-HNNXBMFYSA-N 1 2 275.421 2.107 20 30 CEEDLO N#CCCNC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000569096053 395573402 /nfs/dbraw/zinc/57/34/02/395573402.db2.gz SHPNILLUMHTRJS-HNNXBMFYSA-N 1 2 275.421 2.107 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CCOCC1 ZINC000569112129 395573693 /nfs/dbraw/zinc/57/36/93/395573693.db2.gz OBIVIPAMXATPDR-CHWSQXEVSA-N 1 2 289.379 2.378 20 30 CEEDLO CCn1c2ccccc2[nH+]c1CCNc1ccncc1C#N ZINC000572906392 395593574 /nfs/dbraw/zinc/59/35/74/395593574.db2.gz CEKSTMPDNLDUBC-UHFFFAOYSA-N 1 2 291.358 2.399 20 30 CEEDLO COCC[N@H+](Cc1ccnn1C)Cc1ccc(C#N)c(C)c1 ZINC000489855407 395668822 /nfs/dbraw/zinc/66/88/22/395668822.db2.gz VJNRGFYVJCKQGH-UHFFFAOYSA-N 1 2 298.390 2.249 20 30 CEEDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(C#N)c(C)c1 ZINC000489855407 395668823 /nfs/dbraw/zinc/66/88/23/395668823.db2.gz VJNRGFYVJCKQGH-UHFFFAOYSA-N 1 2 298.390 2.249 20 30 CEEDLO C#CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CC1 ZINC000491545558 395670068 /nfs/dbraw/zinc/67/00/68/395670068.db2.gz QYWSDMICVIUKEM-UHFFFAOYSA-N 1 2 286.404 2.488 20 30 CEEDLO C#CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CC1 ZINC000491545558 395670069 /nfs/dbraw/zinc/67/00/69/395670069.db2.gz QYWSDMICVIUKEM-UHFFFAOYSA-N 1 2 286.404 2.488 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000649192032 396087575 /nfs/dbraw/zinc/08/75/75/396087575.db2.gz SJZHGZWJCYUOHW-CYBMUJFWSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000649192032 396087578 /nfs/dbraw/zinc/08/75/78/396087578.db2.gz SJZHGZWJCYUOHW-CYBMUJFWSA-N 1 2 291.395 2.228 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000360138798 155226694 /nfs/dbraw/zinc/22/66/94/155226694.db2.gz HWCYLKVEABNPOK-ZANVPECISA-N 1 2 250.729 2.024 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000360138798 155226698 /nfs/dbraw/zinc/22/66/98/155226698.db2.gz HWCYLKVEABNPOK-ZANVPECISA-N 1 2 250.729 2.024 20 30 CEEDLO Cc1cn2c([nH+]1)CN(CCCOc1cccc(C#N)c1)CC2 ZINC000360689042 155352976 /nfs/dbraw/zinc/35/29/76/155352976.db2.gz DRKYSPKSYKMYAK-UHFFFAOYSA-N 1 2 296.374 2.348 20 30 CEEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000189035771 153079601 /nfs/dbraw/zinc/07/96/01/153079601.db2.gz CPRHOAYOFXTBON-AWEZNQCLSA-N 1 2 277.393 2.110 20 30 CEEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000189035771 153079604 /nfs/dbraw/zinc/07/96/04/153079604.db2.gz CPRHOAYOFXTBON-AWEZNQCLSA-N 1 2 277.393 2.110 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(C#N)cc1)CC2 ZINC000374769465 157012925 /nfs/dbraw/zinc/01/29/25/157012925.db2.gz WRXKSMFLFGQTTP-UHFFFAOYSA-N 1 2 281.319 2.111 20 30 CEEDLO CC(C)[C@H](NC(=O)Cc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000549752085 298445730 /nfs/dbraw/zinc/44/57/30/298445730.db2.gz FSUPBDUZBSUPAY-HNNXBMFYSA-N 1 2 282.347 2.337 20 30 CEEDLO N#Cc1ccsc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178061996 165221269 /nfs/dbraw/zinc/22/12/69/165221269.db2.gz PFXYTJZKXWLCEB-UHFFFAOYSA-N 1 2 282.328 2.197 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000179897385 165292936 /nfs/dbraw/zinc/29/29/36/165292936.db2.gz OXRBQIVRGJTPJX-CYBMUJFWSA-N 1 2 296.374 2.179 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000179897385 165292938 /nfs/dbraw/zinc/29/29/38/165292938.db2.gz OXRBQIVRGJTPJX-CYBMUJFWSA-N 1 2 296.374 2.179 20 30 CEEDLO Cc1nsc(N2CC[NH+](Cc3ccncc3)CC2)c1C#N ZINC000285691786 196368461 /nfs/dbraw/zinc/36/84/61/196368461.db2.gz QPSLDMQWVJHKGY-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660681640 414933888 /nfs/dbraw/zinc/93/38/88/414933888.db2.gz SJJZYIBUKCTWRJ-CYBMUJFWSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cnc(C)cc2C)nn1 ZINC000657483944 414964530 /nfs/dbraw/zinc/96/45/30/414964530.db2.gz GJZVMMWPWOOVRP-UHFFFAOYSA-N 1 2 271.368 2.156 20 30 CEEDLO C=CC[N@H+](Cc1nccc(OC)c1OC)[C@H](C)COC ZINC000661239435 415151165 /nfs/dbraw/zinc/15/11/65/415151165.db2.gz GIAMQZDXCLSXHR-GFCCVEGCSA-N 1 2 280.368 2.122 20 30 CEEDLO C=CC[N@@H+](Cc1nccc(OC)c1OC)[C@H](C)COC ZINC000661239435 415151171 /nfs/dbraw/zinc/15/11/71/415151171.db2.gz GIAMQZDXCLSXHR-GFCCVEGCSA-N 1 2 280.368 2.122 20 30 CEEDLO C=CC[N@H+](Cc1nnc(C(C)C)o1)[C@@H](C)COC ZINC000661243655 415154690 /nfs/dbraw/zinc/15/46/90/415154690.db2.gz MDIIKRLCOJGLKZ-NSHDSACASA-N 1 2 253.346 2.216 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(C(C)C)o1)[C@@H](C)COC ZINC000661243655 415154695 /nfs/dbraw/zinc/15/46/95/415154695.db2.gz MDIIKRLCOJGLKZ-NSHDSACASA-N 1 2 253.346 2.216 20 30 CEEDLO C=CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@@H](C)COC ZINC000661243726 415155329 /nfs/dbraw/zinc/15/53/29/415155329.db2.gz MZJZYXTZKDFIGS-AWEZNQCLSA-N 1 2 286.379 2.290 20 30 CEEDLO C=CC[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@@H](C)COC ZINC000661243726 415155347 /nfs/dbraw/zinc/15/53/47/415155347.db2.gz MZJZYXTZKDFIGS-AWEZNQCLSA-N 1 2 286.379 2.290 20 30 CEEDLO C=CC[N@H+](Cc1nc(-c2ccco2)no1)[C@@H](C)COC ZINC000661248711 415158918 /nfs/dbraw/zinc/15/89/18/415158918.db2.gz WVZYVZNDEQNVHH-NSHDSACASA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@@H+](Cc1nc(-c2ccco2)no1)[C@@H](C)COC ZINC000661248711 415158922 /nfs/dbraw/zinc/15/89/22/415158922.db2.gz WVZYVZNDEQNVHH-NSHDSACASA-N 1 2 277.324 2.353 20 30 CEEDLO C=C(CC)CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661291850 415186282 /nfs/dbraw/zinc/18/62/82/415186282.db2.gz KYSOJIMNZWKNSQ-UHFFFAOYSA-N 1 2 288.395 2.447 20 30 CEEDLO C=CC[C@H]1CCCC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664143895 415191118 /nfs/dbraw/zinc/19/11/18/415191118.db2.gz CJMUZQNUTUVXNX-CMPLNLGQSA-N 1 2 286.383 2.492 20 30 CEEDLO C=CCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000664227512 415234464 /nfs/dbraw/zinc/23/44/64/415234464.db2.gz HJEZZCYPLMPQAR-UHFFFAOYSA-N 1 2 258.325 2.022 20 30 CEEDLO C[C@@H]1C[NH+](CCOc2cccc(C#N)c2)C[C@@H](C)C1=O ZINC000661552575 415324874 /nfs/dbraw/zinc/32/48/74/415324874.db2.gz SVFQCEZDCZTRQW-CHWSQXEVSA-N 1 2 272.348 2.094 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664589630 415413800 /nfs/dbraw/zinc/41/38/00/415413800.db2.gz LDZQWPLWIAUBHG-SOUVJXGZSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664589630 415413804 /nfs/dbraw/zinc/41/38/04/415413804.db2.gz LDZQWPLWIAUBHG-SOUVJXGZSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CC[N@H+](Cc1nnn(CC(F)(F)F)n1)C(C)(C)C ZINC000661759886 415448816 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2.486 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC000287169474 264611304 /nfs/dbraw/zinc/61/13/04/264611304.db2.gz GXFGQHFOKMPDAS-INIZCTEOSA-N 1 2 281.359 2.024 20 30 CEEDLO C=C[C@@H](CO)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000289822863 264741564 /nfs/dbraw/zinc/74/15/64/264741564.db2.gz MDXKOLQLEYRDEJ-LBPRGKRZSA-N 1 2 290.388 2.359 20 30 CEEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000391895254 265024429 /nfs/dbraw/zinc/02/44/29/265024429.db2.gz GRNMVKCGEDZWKO-LBPRGKRZSA-N 1 2 272.352 2.231 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000519294693 265387716 /nfs/dbraw/zinc/38/77/16/265387716.db2.gz VZLXROQSMYGAHU-GXFFZTMASA-N 1 2 285.326 2.393 20 30 CEEDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000514659259 266030867 /nfs/dbraw/zinc/03/08/67/266030867.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000514659259 266030869 /nfs/dbraw/zinc/03/08/69/266030869.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000514659259 266030871 /nfs/dbraw/zinc/03/08/71/266030871.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000514659259 266030873 /nfs/dbraw/zinc/03/08/73/266030873.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)n[nH]1 ZINC000514659259 266030875 /nfs/dbraw/zinc/03/08/75/266030875.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)n[nH]1 ZINC000514659259 266030878 /nfs/dbraw/zinc/03/08/78/266030878.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO C=CCN(CC=C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357803613 266367534 /nfs/dbraw/zinc/36/75/34/266367534.db2.gz PNMFGEFHDDODFT-CYBMUJFWSA-N 1 2 274.368 2.255 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357940893 266387608 /nfs/dbraw/zinc/38/76/08/266387608.db2.gz XIZKFSYKUHBSRF-NWDGAFQWSA-N 1 2 276.384 2.311 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357940893 266387610 /nfs/dbraw/zinc/38/76/10/266387610.db2.gz XIZKFSYKUHBSRF-NWDGAFQWSA-N 1 2 276.384 2.311 20 30 CEEDLO C=C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362615625 267023929 /nfs/dbraw/zinc/02/39/29/267023929.db2.gz SLOADJNGKYXJQP-SNVBAGLBSA-N 1 2 286.291 2.085 20 30 CEEDLO CCCNC(=O)C[N@H+](CCC)Cc1cccc(F)c1C#N ZINC000428463167 267024476 /nfs/dbraw/zinc/02/44/76/267024476.db2.gz RMNAKCINSRFQBY-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1cccc(F)c1C#N ZINC000428463167 267024477 /nfs/dbraw/zinc/02/44/77/267024477.db2.gz RMNAKCINSRFQBY-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000363173690 267078503 /nfs/dbraw/zinc/07/85/03/267078503.db2.gz KALWQDSLPZOREL-HZPDHXFCSA-N 1 2 285.391 2.236 20 30 CEEDLO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000363173690 267078507 /nfs/dbraw/zinc/07/85/07/267078507.db2.gz KALWQDSLPZOREL-HZPDHXFCSA-N 1 2 285.391 2.236 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368129046 267146549 /nfs/dbraw/zinc/14/65/49/267146549.db2.gz MKLJHZGQFHKBNU-KBPBESRZSA-N 1 2 286.379 2.106 20 30 CEEDLO CC[C@@H](NC(=O)c1ccc(C#N)cc1C)c1[nH]cc[nH+]1 ZINC000442789986 267193966 /nfs/dbraw/zinc/19/39/66/267193966.db2.gz FPZLMQGYXNEGFY-CYBMUJFWSA-N 1 2 268.320 2.471 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(C#N)cc1 ZINC000492280747 267257789 /nfs/dbraw/zinc/25/77/89/267257789.db2.gz ZACYWZOQDCPUGO-FPLPWBNLSA-N 1 2 266.304 2.427 20 30 CEEDLO CN(C)c1[nH+]cccc1CNc1nccc(C#N)c1Cl ZINC000429215588 267295582 /nfs/dbraw/zinc/29/55/82/267295582.db2.gz PXTAQPBLBWFRDR-UHFFFAOYSA-N 1 2 287.754 2.102 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000459371563 267309853 /nfs/dbraw/zinc/30/98/53/267309853.db2.gz IJLZKPDRXDCNHR-WFASDCNBSA-N 1 2 289.335 2.059 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000459371563 267309858 /nfs/dbraw/zinc/30/98/58/267309858.db2.gz IJLZKPDRXDCNHR-WFASDCNBSA-N 1 2 289.335 2.059 20 30 CEEDLO C#CC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000371373855 267396264 /nfs/dbraw/zinc/39/62/64/267396264.db2.gz BRHFFVYHCIXGPL-ZDUSSCGKSA-N 1 2 267.275 2.295 20 30 CEEDLO C#CC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000371373855 267396268 /nfs/dbraw/zinc/39/62/68/267396268.db2.gz BRHFFVYHCIXGPL-ZDUSSCGKSA-N 1 2 267.275 2.295 20 30 CEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCCCC#N ZINC000371388400 267397229 /nfs/dbraw/zinc/39/72/29/267397229.db2.gz MVOJCCNOUPPHOA-AWEZNQCLSA-N 1 2 276.384 2.104 20 30 CEEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCCCC#N ZINC000371388400 267397232 /nfs/dbraw/zinc/39/72/32/267397232.db2.gz MVOJCCNOUPPHOA-AWEZNQCLSA-N 1 2 276.384 2.104 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OC)c1OC ZINC000123263791 268019647 /nfs/dbraw/zinc/01/96/47/268019647.db2.gz QSWBYTZCWSHXGF-UHFFFAOYSA-N 1 2 278.352 2.448 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OC)c1OC ZINC000123263791 268019649 /nfs/dbraw/zinc/01/96/49/268019649.db2.gz QSWBYTZCWSHXGF-UHFFFAOYSA-N 1 2 278.352 2.448 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)ncc1C#N)CCC2 ZINC000425245769 268069397 /nfs/dbraw/zinc/06/93/97/268069397.db2.gz KFHZDKPYJLWPKL-CYBMUJFWSA-N 1 2 281.363 2.178 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425506743 268163201 /nfs/dbraw/zinc/16/32/01/268163201.db2.gz LPBXKFYOBQNBNO-CYBMUJFWSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425506743 268163203 /nfs/dbraw/zinc/16/32/03/268163203.db2.gz LPBXKFYOBQNBNO-CYBMUJFWSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)OC3CCC3)CC2)cc1 ZINC000496970205 268220426 /nfs/dbraw/zinc/22/04/26/268220426.db2.gz WBLRFJRNDOLGOD-UHFFFAOYSA-N 1 2 299.374 2.365 20 30 CEEDLO Cc1cc(C)c(CNc2ccc(C#N)c(C)n2)c[nH+]1 ZINC000397053730 270351589 /nfs/dbraw/zinc/35/15/89/270351589.db2.gz SKVIAMTZRXKWCE-UHFFFAOYSA-N 1 2 252.321 2.308 20 30 CEEDLO Cc1cc(C#N)cc(NCc2c[nH+]c(C)cc2C)n1 ZINC000397057345 270351768 /nfs/dbraw/zinc/35/17/68/270351768.db2.gz UTKPTYTZSRDIDV-UHFFFAOYSA-N 1 2 252.321 2.308 20 30 CEEDLO CCC1(CC)CN(c2cc(C)[nH+]cc2C#N)CC[S@@]1=O ZINC000425238214 271143903 /nfs/dbraw/zinc/14/39/03/271143903.db2.gz IMQDLLINFACTGM-FQEVSTJZSA-N 1 2 291.420 2.389 20 30 CEEDLO COCC[C@H](Cc1ccco1)Nc1cc(C)[nH+]cc1C#N ZINC000425251499 271147557 /nfs/dbraw/zinc/14/75/57/271147557.db2.gz XVLLMCUGVUXSKG-CQSZACIVSA-N 1 2 285.347 2.336 20 30 CEEDLO CC1(C)CC[N@H+](CC#Cc2ccccc2)CC[S@@]1=O ZINC000336305506 276113178 /nfs/dbraw/zinc/11/31/78/276113178.db2.gz PZKCOSNHTHZXCN-LJQANCHMSA-N 1 2 275.417 2.271 20 30 CEEDLO CC1(C)CC[N@@H+](CC#Cc2ccccc2)CC[S@@]1=O ZINC000336305506 276113179 /nfs/dbraw/zinc/11/31/79/276113179.db2.gz PZKCOSNHTHZXCN-LJQANCHMSA-N 1 2 275.417 2.271 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000335843781 278059799 /nfs/dbraw/zinc/05/97/99/278059799.db2.gz MKNJEVYDMKLFGY-WMLDXEAASA-N 1 2 289.350 2.057 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000335843781 278059802 /nfs/dbraw/zinc/05/98/02/278059802.db2.gz MKNJEVYDMKLFGY-WMLDXEAASA-N 1 2 289.350 2.057 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000352492427 279477839 /nfs/dbraw/zinc/47/78/39/279477839.db2.gz XWKPNWQWTANNKT-UHFFFAOYSA-N 1 2 263.272 2.422 20 30 CEEDLO CN(C)c1ccc(NCc2cnc3ccc(C#N)cn23)[nH+]c1 ZINC000150912568 280084008 /nfs/dbraw/zinc/08/40/08/280084008.db2.gz AAVLGKBIWUBLCV-UHFFFAOYSA-N 1 2 292.346 2.279 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364210397 280759750 /nfs/dbraw/zinc/75/97/50/280759750.db2.gz DEJZPZLKXXIXOC-CYBMUJFWSA-N 1 2 280.331 2.264 20 30 CEEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484585 298101464 /nfs/dbraw/zinc/10/14/64/298101464.db2.gz RDSLHUAESHTROA-MGPQQGTHSA-N 1 2 295.402 2.207 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000537583056 298212919 /nfs/dbraw/zinc/21/29/19/298212919.db2.gz BGPKUSZNJFKUEF-UHFFFAOYSA-N 1 2 288.738 2.217 20 30 CEEDLO N#Cc1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000301572810 303193042 /nfs/dbraw/zinc/19/30/42/303193042.db2.gz LINBBHIQLBXAHL-LBPRGKRZSA-N 1 2 253.309 2.408 20 30 CEEDLO CCn1c[nH+]cc1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000563584803 328074947 /nfs/dbraw/zinc/07/49/47/328074947.db2.gz YTHBZGFIGZOAGR-JKSUJKDBSA-N 1 2 288.395 2.330 20 30 CEEDLO C[C@H](O)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1F ZINC000571284128 328097622 /nfs/dbraw/zinc/09/76/22/328097622.db2.gz LRWADXFOLLLVQZ-YWPYICTPSA-N 1 2 275.327 2.281 20 30 CEEDLO C=CCCCCCN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413149019 328141492 /nfs/dbraw/zinc/14/14/92/328141492.db2.gz BDDGWRIMPAOGMR-ZDUSSCGKSA-N 1 2 278.400 2.452 20 30 CEEDLO C=CCCCCCN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413149019 328141494 /nfs/dbraw/zinc/14/14/94/328141494.db2.gz BDDGWRIMPAOGMR-ZDUSSCGKSA-N 1 2 278.400 2.452 20 30 CEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1[nH+]ccn1C ZINC000413231706 328142846 /nfs/dbraw/zinc/14/28/46/328142846.db2.gz NQTSLSQKPZRBOD-OAHLLOKOSA-N 1 2 298.390 2.407 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000414467200 328183426 /nfs/dbraw/zinc/18/34/26/328183426.db2.gz CRDSQYFPALSCTP-CQSZACIVSA-N 1 2 265.328 2.422 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000414467200 328183428 /nfs/dbraw/zinc/18/34/28/328183428.db2.gz CRDSQYFPALSCTP-CQSZACIVSA-N 1 2 265.328 2.422 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000581703173 322417610 /nfs/dbraw/zinc/41/76/10/322417610.db2.gz NZOKBGKHWYRIMY-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO C[C@H](CC(=O)NC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000583503257 328586286 /nfs/dbraw/zinc/58/62/86/328586286.db2.gz VQEUHVWWCRATNA-GFCCVEGCSA-N 1 2 260.341 2.177 20 30 CEEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1nccs1 ZINC000297990728 326886789 /nfs/dbraw/zinc/88/67/89/326886789.db2.gz WZGMXQIYKPUMDA-SNVBAGLBSA-N 1 2 251.355 2.144 20 30 CEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000298890658 326924484 /nfs/dbraw/zinc/92/44/84/326924484.db2.gz VZWGJRNTMMTPQZ-ZJUUUORDSA-N 1 2 268.307 2.306 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000580037382 326937969 /nfs/dbraw/zinc/93/79/69/326937969.db2.gz OTVHOCPZGTXONG-KGLIPLIRSA-N 1 2 282.347 2.024 20 30 CEEDLO CC#CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255899054 327026451 /nfs/dbraw/zinc/02/64/51/327026451.db2.gz IZGRTZQVQZLYFW-TWGQIWQCSA-N 1 2 265.316 2.025 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c(Cl)c1 ZINC000558903124 327130982 /nfs/dbraw/zinc/13/09/82/327130982.db2.gz XVFNTKRAQQBLCE-CYBMUJFWSA-N 1 2 283.734 2.053 20 30 CEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)cc1F ZINC000569368026 327166967 /nfs/dbraw/zinc/16/69/67/327166967.db2.gz XCTOWZUIAQTOHC-AWEZNQCLSA-N 1 2 297.761 2.361 20 30 CEEDLO N#CCN1CCC(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000151634703 327216269 /nfs/dbraw/zinc/21/62/69/327216269.db2.gz NCQNQUWKOTURCW-UHFFFAOYSA-N 1 2 271.368 2.001 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000560412564 327306076 /nfs/dbraw/zinc/30/60/76/327306076.db2.gz LTJNHNQIEDUTSV-HNNXBMFYSA-N 1 2 291.420 2.332 20 30 CEEDLO C=CCN(C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C1CC1 ZINC000574836112 327385838 /nfs/dbraw/zinc/38/58/38/327385838.db2.gz QIIGSEBWDCIGEX-CYBMUJFWSA-N 1 2 274.368 2.231 20 30 CEEDLO N#C[C@H]1CC[C@H](Nc2cccc(CN3CCOCC3)[nH+]2)C1 ZINC000562463594 327482856 /nfs/dbraw/zinc/48/28/56/327482856.db2.gz WJWUQDONKRUTQV-KBPBESRZSA-N 1 2 286.379 2.018 20 30 CEEDLO N#CCC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000530244045 328718641 /nfs/dbraw/zinc/71/86/41/328718641.db2.gz UWANPGNMGJNWMZ-LLVKDONJSA-N 1 2 281.718 2.088 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000526990902 328818956 /nfs/dbraw/zinc/81/89/56/328818956.db2.gz QBCYWVGHHULHER-HNNXBMFYSA-N 1 2 270.336 2.304 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000357897837 328878797 /nfs/dbraw/zinc/87/87/97/328878797.db2.gz QYZUCKHQUDBCTC-ZDUSSCGKSA-N 1 2 284.363 2.305 20 30 CEEDLO C[C@H](CC#N)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363095230 328931714 /nfs/dbraw/zinc/93/17/14/328931714.db2.gz XFMFEJGFNUBZKS-KGLIPLIRSA-N 1 2 286.379 2.059 20 30 CEEDLO N#CCCC[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377631416 329022249 /nfs/dbraw/zinc/02/22/49/329022249.db2.gz YXGWJRWAENLHFE-LBPRGKRZSA-N 1 2 298.350 2.357 20 30 CEEDLO N#CCCC[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377631416 329022250 /nfs/dbraw/zinc/02/22/50/329022250.db2.gz YXGWJRWAENLHFE-LBPRGKRZSA-N 1 2 298.350 2.357 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000174936834 329161654 /nfs/dbraw/zinc/16/16/54/329161654.db2.gz YUYDJITWCJOVOK-CQSZACIVSA-N 1 2 265.316 2.381 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000185520072 329326085 /nfs/dbraw/zinc/32/60/85/329326085.db2.gz UCLNMJYKMIWZDV-CVEARBPZSA-N 1 2 294.439 2.302 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000124983756 329576026 /nfs/dbraw/zinc/57/60/26/329576026.db2.gz VCHNLGPXKMLNCA-UHFFFAOYSA-N 1 2 277.393 2.244 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000532959724 330323013 /nfs/dbraw/zinc/32/30/13/330323013.db2.gz LMGMWNLARAOZMX-UHFFFAOYSA-N 1 2 274.320 2.006 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC)c(O)c2)nn1 ZINC000424290722 330334701 /nfs/dbraw/zinc/33/47/01/330334701.db2.gz BZOXIRBSZGFWBZ-LLVKDONJSA-N 1 2 288.351 2.029 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC1(CC#N)CC1 ZINC000431151143 330580355 /nfs/dbraw/zinc/58/03/55/330580355.db2.gz NNFHMQQGCNXSJJ-UHFFFAOYSA-N 1 2 282.347 2.155 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC000435603478 330658813 /nfs/dbraw/zinc/65/88/13/330658813.db2.gz IVTMWJKWEPKTHQ-CZUORRHYSA-N 1 2 287.407 2.479 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000155448988 330681769 /nfs/dbraw/zinc/68/17/69/330681769.db2.gz AZEDTGAVTNROGF-CXAGYDPISA-N 1 2 285.391 2.445 20 30 CEEDLO CCCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000446766949 330853944 /nfs/dbraw/zinc/85/39/44/330853944.db2.gz TYJURKMYGGKTKZ-UPJWGTAASA-N 1 2 252.358 2.390 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C(=O)OC ZINC000449297018 330912633 /nfs/dbraw/zinc/91/26/33/330912633.db2.gz BCAVVBUPCGSDDE-NWDGAFQWSA-N 1 2 257.374 2.145 20 30 CEEDLO CNc1nc(NCC2CCC(C#N)CC2)[nH+]c2ccccc21 ZINC000450501147 330984077 /nfs/dbraw/zinc/98/40/77/330984077.db2.gz PLRXDDLOWNMMNH-UHFFFAOYSA-N 1 2 295.390 2.257 20 30 CEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](F)C1 ZINC000451185102 331019284 /nfs/dbraw/zinc/01/92/84/331019284.db2.gz AAKCMBLCWLSHOB-UONOGXRCSA-N 1 2 289.354 2.366 20 30 CEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](F)C1 ZINC000451185102 331019285 /nfs/dbraw/zinc/01/92/85/331019285.db2.gz AAKCMBLCWLSHOB-UONOGXRCSA-N 1 2 289.354 2.366 20 30 CEEDLO C=C(C)CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000455331173 331166512 /nfs/dbraw/zinc/16/65/12/331166512.db2.gz WJTXKJGSVXZVFR-CQSZACIVSA-N 1 2 275.352 2.211 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(CC#N)cc1 ZINC000456352291 331190589 /nfs/dbraw/zinc/19/05/89/331190589.db2.gz LLXPRBCYIYOWBR-GFCCVEGCSA-N 1 2 282.347 2.460 20 30 CEEDLO C=CCC1(CNC(=O)NCCc2cn(C)c[nH+]2)CCCC1 ZINC000459099824 331270285 /nfs/dbraw/zinc/27/02/85/331270285.db2.gz KZRPXAJMVVOHDZ-UHFFFAOYSA-N 1 2 290.411 2.398 20 30 CEEDLO CC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C[C@H](C)C#N ZINC000459327069 331276464 /nfs/dbraw/zinc/27/64/64/331276464.db2.gz NUHXPSTVBQFVNR-SNVBAGLBSA-N 1 2 260.341 2.041 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)C1=O ZINC000459693495 331294729 /nfs/dbraw/zinc/29/47/29/331294729.db2.gz WNOPFNRDRNALSS-OAHLLOKOSA-N 1 2 290.794 2.485 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1=O ZINC000459693495 331294730 /nfs/dbraw/zinc/29/47/30/331294730.db2.gz WNOPFNRDRNALSS-OAHLLOKOSA-N 1 2 290.794 2.485 20 30 CEEDLO C#CCN(CC)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000490556195 332091585 /nfs/dbraw/zinc/09/15/85/332091585.db2.gz QKQDEIAVBUZYHN-UHFFFAOYSA-N 1 2 288.395 2.093 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccnn1-c1ccc(F)cc1 ZINC000490722052 332109355 /nfs/dbraw/zinc/10/93/55/332109355.db2.gz ZSLSCEAFIBQYAO-UHFFFAOYSA-N 1 2 267.307 2.080 20 30 CEEDLO C#CC[N@@H+](CC)Cc1csc(-c2ncccn2)n1 ZINC000490759840 332113073 /nfs/dbraw/zinc/11/30/73/332113073.db2.gz GJYHMEVTKIZJDN-UHFFFAOYSA-N 1 2 258.350 2.055 20 30 CEEDLO C#CC[N@H+](CC)Cc1csc(-c2ncccn2)n1 ZINC000490759840 332113075 /nfs/dbraw/zinc/11/30/75/332113075.db2.gz GJYHMEVTKIZJDN-UHFFFAOYSA-N 1 2 258.350 2.055 20 30 CEEDLO C#CCN(CC#CC)Cc1cn2c(cccc2C)[nH+]1 ZINC000490841377 332119737 /nfs/dbraw/zinc/11/97/37/332119737.db2.gz UBMWLSYHPDLSSA-UHFFFAOYSA-N 1 2 251.333 2.101 20 30 CEEDLO CN(C[C@@H]1CCC[N@H+](CCC#N)C1)C(=O)OC(C)(C)C ZINC000490991638 332136759 /nfs/dbraw/zinc/13/67/59/332136759.db2.gz UJSSIINHSIZPCI-ZDUSSCGKSA-N 1 2 281.400 2.479 20 30 CEEDLO CN(C[C@@H]1CCC[N@@H+](CCC#N)C1)C(=O)OC(C)(C)C ZINC000490991638 332136761 /nfs/dbraw/zinc/13/67/61/332136761.db2.gz UJSSIINHSIZPCI-ZDUSSCGKSA-N 1 2 281.400 2.479 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000491179109 332160967 /nfs/dbraw/zinc/16/09/67/332160967.db2.gz DJAZMLVVAIJIPM-UHFFFAOYSA-N 1 2 296.374 2.100 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000491179109 332160968 /nfs/dbraw/zinc/16/09/68/332160968.db2.gz DJAZMLVVAIJIPM-UHFFFAOYSA-N 1 2 296.374 2.100 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc(Cl)ccc2oc1=O ZINC000491617457 332244393 /nfs/dbraw/zinc/24/43/93/332244393.db2.gz BBSGXHJOTSRRSL-VIFPVBQESA-N 1 2 264.712 2.159 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=O ZINC000491617457 332244394 /nfs/dbraw/zinc/24/43/94/332244394.db2.gz BBSGXHJOTSRRSL-VIFPVBQESA-N 1 2 264.712 2.159 20 30 CEEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)C ZINC000491623680 332248215 /nfs/dbraw/zinc/24/82/15/332248215.db2.gz HNNAMBLKFMCZST-KRWDZBQOSA-N 1 2 295.386 2.248 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000491654660 332266978 /nfs/dbraw/zinc/26/69/78/332266978.db2.gz GGNJVNRYWPMEPZ-SNVBAGLBSA-N 1 2 251.330 2.011 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000491654660 332266979 /nfs/dbraw/zinc/26/69/79/332266979.db2.gz GGNJVNRYWPMEPZ-SNVBAGLBSA-N 1 2 251.330 2.011 20 30 CEEDLO C#C[C@H](CC)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000491670916 332277975 /nfs/dbraw/zinc/27/79/75/332277975.db2.gz WADBJBDDMMQOPN-CYBMUJFWSA-N 1 2 252.321 2.093 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(F)cc1 ZINC000491693848 332290014 /nfs/dbraw/zinc/29/00/14/332290014.db2.gz DUASTJLSEMYOAQ-INIZCTEOSA-N 1 2 282.318 2.389 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491723207 332307872 /nfs/dbraw/zinc/30/78/72/332307872.db2.gz APZCDFPVIIFKRI-HIFRSBDPSA-N 1 2 296.374 2.173 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491723206 332307895 /nfs/dbraw/zinc/30/78/95/332307895.db2.gz APZCDFPVIIFKRI-DZGCQCFKSA-N 1 2 296.374 2.173 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)c1ncc(Br)cn1 ZINC000491723969 332308682 /nfs/dbraw/zinc/30/86/82/332308682.db2.gz AGUGDAYFZPUOGY-SECBINFHSA-N 1 2 268.158 2.255 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)c1ncc(Br)cn1 ZINC000491723969 332308684 /nfs/dbraw/zinc/30/86/84/332308684.db2.gz AGUGDAYFZPUOGY-SECBINFHSA-N 1 2 268.158 2.255 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc[nH+]c(C(C)C)n2)n1 ZINC000491777892 332343115 /nfs/dbraw/zinc/34/31/15/332343115.db2.gz XSPHPDOSHZDBJR-UHFFFAOYSA-N 1 2 283.379 2.456 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)CC(C)C ZINC000492408829 332396033 /nfs/dbraw/zinc/39/60/33/332396033.db2.gz ONHXWFZGYAFNDI-IDTUSYRASA-N 1 2 274.368 2.361 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC(C)(C#N)CC1 ZINC000492451099 332398007 /nfs/dbraw/zinc/39/80/07/332398007.db2.gz WAIWPYSUPHFBBM-SNAWJCMRSA-N 1 2 272.352 2.068 20 30 CEEDLO C[C@](C#N)(NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCC1 ZINC000493329702 332435801 /nfs/dbraw/zinc/43/58/01/332435801.db2.gz YDYQIIIFDWVJOK-MVGZEHJDSA-N 1 2 272.352 2.402 20 30 CEEDLO N#C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCC1 ZINC000493493655 332442462 /nfs/dbraw/zinc/44/24/62/332442462.db2.gz ZVKKFOCKZWFSCH-SYTKJHMZSA-N 1 2 258.325 2.012 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccccc1Cl ZINC000517033454 333090491 /nfs/dbraw/zinc/09/04/91/333090491.db2.gz KDRQKUCCGHYBLU-OAHLLOKOSA-N 1 2 293.798 2.233 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000517392226 333098761 /nfs/dbraw/zinc/09/87/61/333098761.db2.gz VZGMWJFKBURUKO-GXTWGEPZSA-N 1 2 275.327 2.213 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000192233640 333233012 /nfs/dbraw/zinc/23/30/12/333233012.db2.gz QKQMHZDWTPDMLQ-UHFFFAOYSA-N 1 2 259.284 2.249 20 30 CEEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000192233640 333233013 /nfs/dbraw/zinc/23/30/13/333233013.db2.gz QKQMHZDWTPDMLQ-UHFFFAOYSA-N 1 2 259.284 2.249 20 30 CEEDLO COc1cccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000227352847 333281263 /nfs/dbraw/zinc/28/12/63/333281263.db2.gz IJFGHBVWLJJQTO-UHFFFAOYSA-N 1 2 287.363 2.259 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000522587089 333291633 /nfs/dbraw/zinc/29/16/33/333291633.db2.gz FKFCJIGBNYRVMZ-ZDUSSCGKSA-N 1 2 268.320 2.294 20 30 CEEDLO COc1cc(Br)c(C[NH2+]C[C@@H](C)C#N)cc1O ZINC000541763234 333790595 /nfs/dbraw/zinc/79/05/95/333790595.db2.gz DGODXEZNGZVLQK-QMMMGPOBSA-N 1 2 299.168 2.413 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000546681773 334045533 /nfs/dbraw/zinc/04/55/33/334045533.db2.gz IEETXEWUCZQALS-NSHDSACASA-N 1 2 285.351 2.199 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000546681773 334045534 /nfs/dbraw/zinc/04/55/34/334045534.db2.gz IEETXEWUCZQALS-NSHDSACASA-N 1 2 285.351 2.199 20 30 CEEDLO CC#CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548506352 334161233 /nfs/dbraw/zinc/16/12/33/334161233.db2.gz QCWMRRJMRPPVKN-OAHLLOKOSA-N 1 2 296.374 2.222 20 30 CEEDLO CC[N@H+](CC(=O)NC1(C#N)CC1)Cc1ccccc1Cl ZINC000549767495 334204344 /nfs/dbraw/zinc/20/43/44/334204344.db2.gz AGVZANSODUWUKU-UHFFFAOYSA-N 1 2 291.782 2.334 20 30 CEEDLO CC[N@@H+](CC(=O)NC1(C#N)CC1)Cc1ccccc1Cl ZINC000549767495 334204345 /nfs/dbraw/zinc/20/43/45/334204345.db2.gz AGVZANSODUWUKU-UHFFFAOYSA-N 1 2 291.782 2.334 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000245742221 334216446 /nfs/dbraw/zinc/21/64/46/334216446.db2.gz FFOAWICAWUWPIC-QWHCGFSZSA-N 1 2 291.399 2.273 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000245742221 334216447 /nfs/dbraw/zinc/21/64/47/334216447.db2.gz FFOAWICAWUWPIC-QWHCGFSZSA-N 1 2 291.399 2.273 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C#N)CC1 ZINC000142091892 334319256 /nfs/dbraw/zinc/31/92/56/334319256.db2.gz HMUJSIVWMJSPNW-ZDUSSCGKSA-N 1 2 283.375 2.200 20 30 CEEDLO CC1(C)C[NH+](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000566436436 334648983 /nfs/dbraw/zinc/64/89/83/334648983.db2.gz JMGUVPDVEXRYIA-ZDUSSCGKSA-N 1 2 291.782 2.363 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000567121677 334682851 /nfs/dbraw/zinc/68/28/51/334682851.db2.gz MEMGYTSTFXGJJX-LLVKDONJSA-N 1 2 263.297 2.385 20 30 CEEDLO Cc1ccc(Cc2noc([C@@]3(C#N)C[C@H]3C)n2)c[nH+]1 ZINC000351072662 335563625 /nfs/dbraw/zinc/56/36/25/335563625.db2.gz DVJJHRIWDHWGBZ-YMTOWFKASA-N 1 2 254.293 2.165 20 30 CEEDLO COc1ccc(-n2cc(C[NH2+]C[C@H](C)C#N)cn2)cc1 ZINC000581290855 336037838 /nfs/dbraw/zinc/03/78/38/336037838.db2.gz KBXMSNBJCHEBBT-GFCCVEGCSA-N 1 2 270.336 2.130 20 30 CEEDLO Cn1c2ccccc2nc1C[NH+]1CCC(C#N)CC1 ZINC000195121762 336046227 /nfs/dbraw/zinc/04/62/27/336046227.db2.gz BIVZATJDZRCOGS-UHFFFAOYSA-N 1 2 254.337 2.309 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000581953706 336178765 /nfs/dbraw/zinc/17/87/65/336178765.db2.gz WNMOOWVFVFNZLJ-CYBMUJFWSA-N 1 2 261.369 2.308 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000874903182 649866172 /nfs/dbraw/zinc/86/61/72/649866172.db2.gz GTOAFLCFVJBOLM-VXGBXAGGSA-N 1 2 298.321 2.482 20 30 CEEDLO N#CC1(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000336006750 534550210 /nfs/dbraw/zinc/55/02/10/534550210.db2.gz YBSCBGWTXGPOED-LLVKDONJSA-N 1 2 250.733 2.087 20 30 CEEDLO N#CC1(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000336006750 534550213 /nfs/dbraw/zinc/55/02/13/534550213.db2.gz YBSCBGWTXGPOED-LLVKDONJSA-N 1 2 250.733 2.087 20 30 CEEDLO N#CCN(Cc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000352739489 534664887 /nfs/dbraw/zinc/66/48/87/534664887.db2.gz ZAHIDBXLUBOCPV-UHFFFAOYSA-N 1 2 266.348 2.419 20 30 CEEDLO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366533770 526739203 /nfs/dbraw/zinc/73/92/03/526739203.db2.gz UCQJSBPJOJDOFY-ZWKOTPCHSA-N 1 2 293.370 2.381 20 30 CEEDLO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366533770 526739210 /nfs/dbraw/zinc/73/92/10/526739210.db2.gz UCQJSBPJOJDOFY-ZWKOTPCHSA-N 1 2 293.370 2.381 20 30 CEEDLO C=CCCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296686461 527216370 /nfs/dbraw/zinc/21/63/70/527216370.db2.gz BSPDPPHCRQIFSO-LBPRGKRZSA-N 1 2 276.384 2.479 20 30 CEEDLO CC[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330196069 529308652 /nfs/dbraw/zinc/30/86/52/529308652.db2.gz PREMZCLZAZNDCZ-UPJWGTAASA-N 1 2 276.384 2.280 20 30 CEEDLO CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330196069 529308655 /nfs/dbraw/zinc/30/86/55/529308655.db2.gz PREMZCLZAZNDCZ-UPJWGTAASA-N 1 2 276.384 2.280 20 30 CEEDLO CC(C)C[N@H+](CCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739914267 574431852 /nfs/dbraw/zinc/43/18/52/574431852.db2.gz GMGPLZOZBLTOTM-LLVKDONJSA-N 1 2 291.317 2.021 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739914267 574431853 /nfs/dbraw/zinc/43/18/53/574431853.db2.gz GMGPLZOZBLTOTM-LLVKDONJSA-N 1 2 291.317 2.021 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2ccc(N(C)CCO)cc2)nc1 ZINC000727259601 574449729 /nfs/dbraw/zinc/44/97/29/574449729.db2.gz HRPUORBNQSNWIR-UHFFFAOYSA-N 1 2 284.363 2.265 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)nc1 ZINC000727259453 574449746 /nfs/dbraw/zinc/44/97/46/574449746.db2.gz FICLUHCFSPPJRA-UHFFFAOYSA-N 1 2 282.351 2.226 20 30 CEEDLO C#Cc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)nc1 ZINC000728819857 574471092 /nfs/dbraw/zinc/47/10/92/574471092.db2.gz MGPWIPDMUODBOU-UHFFFAOYSA-N 1 2 295.342 2.013 20 30 CEEDLO COc1cccc(O)c1/C=[NH+]/CC1CCN(C(C)=O)CC1 ZINC000729641827 574490169 /nfs/dbraw/zinc/49/01/69/574490169.db2.gz YWIDEPOENMNYMF-GZTJUZNOSA-N 1 2 290.363 2.078 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)nn1 ZINC000729935980 574496716 /nfs/dbraw/zinc/49/67/16/574496716.db2.gz ZZWSHWGXHZIMST-UHFFFAOYSA-N 1 2 297.362 2.068 20 30 CEEDLO C=CCOC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000740981539 574512282 /nfs/dbraw/zinc/51/22/82/574512282.db2.gz FBQKWDNTKPXXCJ-ZDUSSCGKSA-N 1 2 292.354 2.065 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000730275824 574513158 /nfs/dbraw/zinc/51/31/58/574513158.db2.gz ZYTDPGAIEVYJHA-INIZCTEOSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000730275824 574513159 /nfs/dbraw/zinc/51/31/59/574513159.db2.gz ZYTDPGAIEVYJHA-INIZCTEOSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C)s1 ZINC000730279998 574513228 /nfs/dbraw/zinc/51/32/28/574513228.db2.gz WNPGESKERZZDSI-OLZOCXBDSA-N 1 2 276.405 2.331 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C)s1 ZINC000730279998 574513229 /nfs/dbraw/zinc/51/32/29/574513229.db2.gz WNPGESKERZZDSI-OLZOCXBDSA-N 1 2 276.405 2.331 20 30 CEEDLO Fc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)nc1 ZINC000731317762 574593791 /nfs/dbraw/zinc/59/37/91/574593791.db2.gz FLOZWXUSMCZCTK-UHFFFAOYSA-N 1 2 286.314 2.057 20 30 CEEDLO CC(C)CN(CCC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000731617940 574599951 /nfs/dbraw/zinc/59/99/51/574599951.db2.gz KCLFEPXRJWBJSX-UHFFFAOYSA-N 1 2 270.336 2.346 20 30 CEEDLO N#Cc1cccnc1NCCNc1cc[nH+]c(C2CC2)n1 ZINC000732920432 574635835 /nfs/dbraw/zinc/63/58/35/574635835.db2.gz SBKULJPBISNKPB-UHFFFAOYSA-N 1 2 280.335 2.145 20 30 CEEDLO Cc1cc(NCCNc2ncccc2C#N)nc(C2CC2)[nH+]1 ZINC000734835358 574732770 /nfs/dbraw/zinc/73/27/70/574732770.db2.gz TXGCXPJTYHTSHG-UHFFFAOYSA-N 1 2 294.362 2.453 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CSc2ccccc21 ZINC000735482428 574760522 /nfs/dbraw/zinc/76/05/22/574760522.db2.gz HWNFDVXCEQANPO-KGLIPLIRSA-N 1 2 286.400 2.047 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CSc2ccccc21 ZINC000735482428 574760523 /nfs/dbraw/zinc/76/05/23/574760523.db2.gz HWNFDVXCEQANPO-KGLIPLIRSA-N 1 2 286.400 2.047 20 30 CEEDLO C=C(Cl)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738950822 574886737 /nfs/dbraw/zinc/88/67/37/574886737.db2.gz TUMPPPRJQJREMY-UHFFFAOYSA-N 1 2 250.689 2.208 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H](C)C(C)C)c1O ZINC000739427348 574918112 /nfs/dbraw/zinc/91/81/12/574918112.db2.gz UAJZTGORYGIRCP-XVBMGZJVSA-N 1 2 250.342 2.299 20 30 CEEDLO N#Cc1cccc(OCC(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000741969653 575004421 /nfs/dbraw/zinc/00/44/21/575004421.db2.gz HCBGBFHKEYOMKO-UHFFFAOYSA-N 1 2 292.298 2.223 20 30 CEEDLO Cn1c(C[NH2+]Cc2ccc(C#N)o2)nc2cc(F)ccc21 ZINC000742372051 575018096 /nfs/dbraw/zinc/01/80/96/575018096.db2.gz PGYYOTPRYZDFSP-UHFFFAOYSA-N 1 2 284.294 2.467 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000746456673 575156433 /nfs/dbraw/zinc/15/64/33/575156433.db2.gz DXRSKKZHLQOGGD-CQSZACIVSA-N 1 2 270.376 2.309 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000746456673 575156435 /nfs/dbraw/zinc/15/64/35/575156435.db2.gz DXRSKKZHLQOGGD-CQSZACIVSA-N 1 2 270.376 2.309 20 30 CEEDLO CCCCCC[C@@H](C)N[NH+]=Cc1c(N)ncnc1OC ZINC000747632596 575172820 /nfs/dbraw/zinc/17/28/20/575172820.db2.gz NSNNCRWSWRZIQT-LLVKDONJSA-N 1 2 279.388 2.350 20 30 CEEDLO Cn1c[nH+]cc1COC(=O)/C=C/c1ccccc1C#N ZINC000747780091 575174935 /nfs/dbraw/zinc/17/49/35/575174935.db2.gz BMQMKPVDDVXBEB-VOTSOKGWSA-N 1 2 267.288 2.048 20 30 CEEDLO CCCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787303 575234528 /nfs/dbraw/zinc/23/45/28/575234528.db2.gz JRAQDNWHVYITMP-NSHDSACASA-N 1 2 295.358 2.158 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC)C1 ZINC000964526720 613235610 /nfs/dbraw/zinc/23/56/10/613235610.db2.gz HBUUAMGFSXALLE-MWLCHTKSSA-N 1 2 289.217 2.132 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC)C1 ZINC000964526720 613235612 /nfs/dbraw/zinc/23/56/12/613235612.db2.gz HBUUAMGFSXALLE-MWLCHTKSSA-N 1 2 289.217 2.132 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)cccc2F)C1 ZINC000957459876 612991281 /nfs/dbraw/zinc/99/12/81/612991281.db2.gz ZXXZIEKGHZWDRK-UHFFFAOYSA-N 1 2 288.366 2.304 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000948965142 613279854 /nfs/dbraw/zinc/27/98/54/613279854.db2.gz GISGOIMELNVSIL-IRXDYDNUSA-N 1 2 294.398 2.135 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000948965142 613279855 /nfs/dbraw/zinc/27/98/55/613279855.db2.gz GISGOIMELNVSIL-IRXDYDNUSA-N 1 2 294.398 2.135 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC000952372196 613296106 /nfs/dbraw/zinc/29/61/06/613296106.db2.gz HJUNKHZPYBDRMI-UHFFFAOYSA-N 1 2 275.396 2.354 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC000949386890 613319405 /nfs/dbraw/zinc/31/94/05/613319405.db2.gz GXRWVNLIGVFZAY-UHFFFAOYSA-N 1 2 287.407 2.341 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC000969430852 613371467 /nfs/dbraw/zinc/37/14/67/613371467.db2.gz NBQMBAYGYZPOMQ-LLVKDONJSA-N 1 2 268.788 2.142 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2conc2CC)C1 ZINC000970387867 613372069 /nfs/dbraw/zinc/37/20/69/613372069.db2.gz KBHIVWZMWAZAMV-SNVBAGLBSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ocnc2CC)C1 ZINC000970396811 613372073 /nfs/dbraw/zinc/37/20/73/613372073.db2.gz XGTAPGJBPHDRQY-SNVBAGLBSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)ccn2C)C1 ZINC000969553506 613372293 /nfs/dbraw/zinc/37/22/93/613372293.db2.gz HDOYBBKLTWDKPE-LBPRGKRZSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2O)C1 ZINC000969308640 613372460 /nfs/dbraw/zinc/37/24/60/613372460.db2.gz SOHNXVOEXUSLAI-NSHDSACASA-N 1 2 294.782 2.195 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC000980863236 613373290 /nfs/dbraw/zinc/37/32/90/613373290.db2.gz DBJPWVIXZFPTLA-UHFFFAOYSA-N 1 2 270.804 2.463 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC000980863236 613373291 /nfs/dbraw/zinc/37/32/91/613373291.db2.gz DBJPWVIXZFPTLA-UHFFFAOYSA-N 1 2 270.804 2.463 20 30 CEEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000970045307 613385388 /nfs/dbraw/zinc/38/53/88/613385388.db2.gz GBKPWCKZKGMVRC-LLVKDONJSA-N 1 2 296.802 2.090 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CC=C(C)C)C1 ZINC000951785168 613461936 /nfs/dbraw/zinc/46/19/36/613461936.db2.gz ATAADNFHHGDABU-CVEARBPZSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC000951186941 613653519 /nfs/dbraw/zinc/65/35/19/613653519.db2.gz ZJYGUHMGQRNOTA-ZDUSSCGKSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000952422549 613655929 /nfs/dbraw/zinc/65/59/29/613655929.db2.gz HLLHFHPQYIBPMA-FGTMMUONSA-N 1 2 296.414 2.291 20 30 CEEDLO C=CC[N@H+]1CCCN(C(=O)c2sc(Cl)nc2C)CC1 ZINC000981246761 613700353 /nfs/dbraw/zinc/70/03/53/613700353.db2.gz HOSSZTVWRJCCQU-UHFFFAOYSA-N 1 2 299.827 2.439 20 30 CEEDLO C=CC[N@@H+]1CCCN(C(=O)c2sc(Cl)nc2C)CC1 ZINC000981246761 613700354 /nfs/dbraw/zinc/70/03/54/613700354.db2.gz HOSSZTVWRJCCQU-UHFFFAOYSA-N 1 2 299.827 2.439 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000957817554 613707341 /nfs/dbraw/zinc/70/73/41/613707341.db2.gz MYGFRYFZFYLHTR-KBPBESRZSA-N 1 2 264.413 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2c[nH]c3cccc(C)c23)CC1 ZINC000957365370 613709488 /nfs/dbraw/zinc/70/94/88/613709488.db2.gz IKDCPLXAQYIZJZ-UHFFFAOYSA-N 1 2 297.402 2.349 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc3ncccc23)CC1 ZINC000949266063 613709806 /nfs/dbraw/zinc/70/98/06/613709806.db2.gz OPRGITXBVHFERQ-UHFFFAOYSA-N 1 2 295.386 2.108 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000957454115 613714482 /nfs/dbraw/zinc/71/44/82/613714482.db2.gz ONMZPLPWOAIXJT-UHFFFAOYSA-N 1 2 258.365 2.247 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000957870692 613716777 /nfs/dbraw/zinc/71/67/77/613716777.db2.gz NOJLORATSGUXGG-UHFFFAOYSA-N 1 2 270.376 2.119 20 30 CEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000972436429 613725358 /nfs/dbraw/zinc/72/53/58/613725358.db2.gz XKIZIECCELSMFJ-RHSMWYFYSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000972436429 613725359 /nfs/dbraw/zinc/72/53/59/613725359.db2.gz XKIZIECCELSMFJ-RHSMWYFYSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000890810957 622996572 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644452942 /nfs/dbraw/zinc/45/29/42/644452942.db2.gz PDRRWJHYLNAKCS-UHFFFAOYSA-N 1 2 281.315 2.187 20 30 CEEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c3ccc(C)cn23)o1 ZINC000755660998 644542139 /nfs/dbraw/zinc/54/21/39/644542139.db2.gz LWLCDPFBEQSDSY-UHFFFAOYSA-N 1 2 280.291 2.257 20 30 CEEDLO Cc1ccn(C[N@H+]2CCc3c(C)cccc3C2)c(=O)c1C#N ZINC000758221716 644902041 /nfs/dbraw/zinc/90/20/41/644902041.db2.gz YBBKJZNCFJQATC-UHFFFAOYSA-N 1 2 293.370 2.353 20 30 CEEDLO Cc1ccn(C[N@@H+]2CCc3c(C)cccc3C2)c(=O)c1C#N ZINC000758221716 644902046 /nfs/dbraw/zinc/90/20/46/644902046.db2.gz YBBKJZNCFJQATC-UHFFFAOYSA-N 1 2 293.370 2.353 20 30 CEEDLO C#CCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000758637221 644947978 /nfs/dbraw/zinc/94/79/78/644947978.db2.gz ZXQVINISAWAAGZ-UHFFFAOYSA-N 1 2 269.348 2.105 20 30 CEEDLO N#CC1(c2ccc(C(=O)N[C@H]3CCn4c[nH+]cc43)cc2)CC1 ZINC000857982036 645034089 /nfs/dbraw/zinc/03/40/89/645034089.db2.gz LUYSHUZLRGILDI-AWEZNQCLSA-N 1 2 292.342 2.313 20 30 CEEDLO C#CCN(c1nc2ccccc2n2c[nH+]cc12)C1CC1 ZINC000858483802 645177601 /nfs/dbraw/zinc/17/76/01/645177601.db2.gz AOJOPJGAJYOCSL-UHFFFAOYSA-N 1 2 262.316 2.485 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCc2ccn(C)n2)c(O)c1 ZINC000761015588 645223135 /nfs/dbraw/zinc/22/31/35/645223135.db2.gz NZHGKZMPMPQFFM-WJDWOHSUSA-N 1 2 273.336 2.186 20 30 CEEDLO C[N@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761184990 645255115 /nfs/dbraw/zinc/25/51/15/645255115.db2.gz RSXSTRVFWOKYHA-UHFFFAOYSA-N 1 2 255.362 2.135 20 30 CEEDLO C[N@@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761184990 645255119 /nfs/dbraw/zinc/25/51/19/645255119.db2.gz RSXSTRVFWOKYHA-UHFFFAOYSA-N 1 2 255.362 2.135 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@H](OC)C1 ZINC000858837244 645266902 /nfs/dbraw/zinc/26/69/02/645266902.db2.gz MADDZCRWUIZHQC-JOCQHMNTSA-N 1 2 260.337 2.463 20 30 CEEDLO Oc1cccc(/C=N/Cc2ccn3cc[nH+]c3c2)c1O ZINC000761785801 645316760 /nfs/dbraw/zinc/31/67/60/645316760.db2.gz LBGBJGPIJUGFGA-MHWRWJLKSA-N 1 2 267.288 2.365 20 30 CEEDLO C#CCCc1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000762013866 645350238 /nfs/dbraw/zinc/35/02/38/645350238.db2.gz KJHOMFXDYKLQPV-OAHLLOKOSA-N 1 2 297.358 2.209 20 30 CEEDLO C#CCCc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000762013866 645350247 /nfs/dbraw/zinc/35/02/47/645350247.db2.gz KJHOMFXDYKLQPV-OAHLLOKOSA-N 1 2 297.358 2.209 20 30 CEEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](C#N)CCC#N ZINC000859529140 645509354 /nfs/dbraw/zinc/50/93/54/645509354.db2.gz LCOPGFMNINOWDA-ZDUSSCGKSA-N 1 2 294.399 2.277 20 30 CEEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](C#N)CCC#N ZINC000859529140 645509356 /nfs/dbraw/zinc/50/93/56/645509356.db2.gz LCOPGFMNINOWDA-ZDUSSCGKSA-N 1 2 294.399 2.277 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCCc1c(C)cc(C)cc1C)C1CC1 ZINC000763958369 645594517 /nfs/dbraw/zinc/59/45/17/645594517.db2.gz VJITZLFTEMZWAS-UHFFFAOYSA-N 1 2 298.430 2.368 20 30 CEEDLO C#CC[N@H+](CC(=O)NCCc1c(C)cc(C)cc1C)C1CC1 ZINC000763958369 645594521 /nfs/dbraw/zinc/59/45/21/645594521.db2.gz VJITZLFTEMZWAS-UHFFFAOYSA-N 1 2 298.430 2.368 20 30 CEEDLO Cc1cc(NC(=O)NCc2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000767949829 646060113 /nfs/dbraw/zinc/06/01/13/646060113.db2.gz ZZRXDFZTRFQVMK-UHFFFAOYSA-N 1 2 280.331 2.314 20 30 CEEDLO C#C[C@H](CC)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000768055133 646077140 /nfs/dbraw/zinc/07/71/40/646077140.db2.gz HEJKLWJAXFAXLW-XJKSGUPXSA-N 1 2 271.360 2.388 20 30 CEEDLO C#C[C@H](CC)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000768055133 646077148 /nfs/dbraw/zinc/07/71/48/646077148.db2.gz HEJKLWJAXFAXLW-XJKSGUPXSA-N 1 2 271.360 2.388 20 30 CEEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000768946684 646184682 /nfs/dbraw/zinc/18/46/82/646184682.db2.gz QJDSBKXYPLBMFM-CQSZACIVSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000768946684 646184685 /nfs/dbraw/zinc/18/46/85/646184685.db2.gz QJDSBKXYPLBMFM-CQSZACIVSA-N 1 2 291.395 2.372 20 30 CEEDLO CC(C)C[N@H+](CCC#N)Cc1cc(-c2cnn(C)c2)no1 ZINC000769213579 646225080 /nfs/dbraw/zinc/22/50/80/646225080.db2.gz QLLDNVPZEUMKQO-UHFFFAOYSA-N 1 2 287.367 2.447 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(-c2cnn(C)c2)no1 ZINC000769213579 646225085 /nfs/dbraw/zinc/22/50/85/646225085.db2.gz QLLDNVPZEUMKQO-UHFFFAOYSA-N 1 2 287.367 2.447 20 30 CEEDLO C#CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1CC)C(=O)OC ZINC000862392224 646434006 /nfs/dbraw/zinc/43/40/06/646434006.db2.gz KJEPEACDIBXMBP-MCIONIFRSA-N 1 2 251.370 2.357 20 30 CEEDLO N#Cc1ccc(CNN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771095791 646490098 /nfs/dbraw/zinc/49/00/98/646490098.db2.gz BSAWNSKZXCYFKZ-UHFFFAOYSA-N 1 2 275.315 2.330 20 30 CEEDLO CC[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000119187216 646602097 /nfs/dbraw/zinc/60/20/97/646602097.db2.gz KZPBVWYXLJBABQ-CYBMUJFWSA-N 1 2 271.364 2.206 20 30 CEEDLO CC[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000119187216 646602105 /nfs/dbraw/zinc/60/21/05/646602105.db2.gz KZPBVWYXLJBABQ-CYBMUJFWSA-N 1 2 271.364 2.206 20 30 CEEDLO CN(CCc1cccc(C#N)c1)C(=O)CCCn1cc[nH+]c1 ZINC000863434471 646723544 /nfs/dbraw/zinc/72/35/44/646723544.db2.gz OYPBMQSCYRVHOL-UHFFFAOYSA-N 1 2 296.374 2.236 20 30 CEEDLO C#CC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774033047 646796753 /nfs/dbraw/zinc/79/67/53/646796753.db2.gz OUKOSONQWXMUBY-UKRRQHHQSA-N 1 2 294.757 2.364 20 30 CEEDLO C#CC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774033047 646796756 /nfs/dbraw/zinc/79/67/56/646796756.db2.gz OUKOSONQWXMUBY-UKRRQHHQSA-N 1 2 294.757 2.364 20 30 CEEDLO CCOCCON=C1CCN(c2cccc[nH+]2)CC1 ZINC000774415849 646844244 /nfs/dbraw/zinc/84/42/44/646844244.db2.gz VUXCFDSGAPXGPB-UHFFFAOYSA-N 1 2 263.341 2.091 20 30 CEEDLO Cc1noc(C)c1CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000774723273 646885573 /nfs/dbraw/zinc/88/55/73/646885573.db2.gz OLGCDAXGNOSHTI-UHFFFAOYSA-N 1 2 277.299 2.310 20 30 CEEDLO C[C@H]([NH2+]CC(=O)NCCC#N)c1c(F)cccc1Cl ZINC000775549986 646965127 /nfs/dbraw/zinc/96/51/27/646965127.db2.gz VXVWMBJLBBKPLJ-VIFPVBQESA-N 1 2 283.734 2.160 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)c1csc(C)n1)[C@@H]1CCCO1 ZINC000775573577 646967938 /nfs/dbraw/zinc/96/79/38/646967938.db2.gz HWWUVAMQZBNJPW-CDMKHQONSA-N 1 2 250.367 2.283 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000775791799 646993040 /nfs/dbraw/zinc/99/30/40/646993040.db2.gz XDUYKFYBIVPSQP-CVEARBPZSA-N 1 2 273.380 2.269 20 30 CEEDLO C=CC[C@H](CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000776255377 647043073 /nfs/dbraw/zinc/04/30/73/647043073.db2.gz COFIAEJJGMZXRP-JTQLQIEISA-N 1 2 255.745 2.320 20 30 CEEDLO C=CC[C@@H](CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000776255378 647043541 /nfs/dbraw/zinc/04/35/41/647043541.db2.gz COFIAEJJGMZXRP-SNVBAGLBSA-N 1 2 255.745 2.320 20 30 CEEDLO C#CC[N@H+](CC#CC)CCC(=O)c1ccc(F)cc1 ZINC000777591555 647154780 /nfs/dbraw/zinc/15/47/80/647154780.db2.gz ZHJMKVGTTPUIAC-UHFFFAOYSA-N 1 2 257.308 2.357 20 30 CEEDLO C#CC[N@@H+](CC#CC)CCC(=O)c1ccc(F)cc1 ZINC000777591555 647154783 /nfs/dbraw/zinc/15/47/83/647154783.db2.gz ZHJMKVGTTPUIAC-UHFFFAOYSA-N 1 2 257.308 2.357 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780449796 647429992 /nfs/dbraw/zinc/42/99/92/647429992.db2.gz KRDUBZPUJWMMNG-HNNXBMFYSA-N 1 2 250.386 2.491 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780449796 647429996 /nfs/dbraw/zinc/42/99/96/647429996.db2.gz KRDUBZPUJWMMNG-HNNXBMFYSA-N 1 2 250.386 2.491 20 30 CEEDLO CC#CC[C@H](CO)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865902787 647529838 /nfs/dbraw/zinc/52/98/38/647529838.db2.gz GXPQTIITSVVCNR-OAHLLOKOSA-N 1 2 296.374 2.275 20 30 CEEDLO CC#CC[C@H](CO)Nc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865902787 647529841 /nfs/dbraw/zinc/52/98/41/647529841.db2.gz GXPQTIITSVVCNR-OAHLLOKOSA-N 1 2 296.374 2.275 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000782543531 647636345 /nfs/dbraw/zinc/63/63/45/647636345.db2.gz LTUJOBDGOXHTKA-NVXWUHKLSA-N 1 2 299.349 2.282 20 30 CEEDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)[nH]1 ZINC000866363914 647756338 /nfs/dbraw/zinc/75/63/38/647756338.db2.gz NNFZVJPTHNVHAK-JTQLQIEISA-N 1 2 285.351 2.356 20 30 CEEDLO C[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(C#N)c1O ZINC000866365420 647758416 /nfs/dbraw/zinc/75/84/16/647758416.db2.gz GNUXOIKLHDPSRF-NWDGAFQWSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C#N)c1O ZINC000866369721 647760641 /nfs/dbraw/zinc/76/06/41/647760641.db2.gz NDSYXRQLMGMXIY-VHRBIJSZSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccn(C)n1 ZINC000866373873 647761901 /nfs/dbraw/zinc/76/19/01/647761901.db2.gz WKUDSADAZZVNCI-GHMZBOCLSA-N 1 2 270.336 2.409 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc(C#N)c1O ZINC000866375795 647763378 /nfs/dbraw/zinc/76/33/78/647763378.db2.gz FNVDROFWYSOAHC-SGMGOOAPSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000784454349 647851759 /nfs/dbraw/zinc/85/17/59/647851759.db2.gz PRNYIZAGHXAQPA-CVEARBPZSA-N 1 2 269.348 2.217 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000784454349 647851761 /nfs/dbraw/zinc/85/17/61/647851761.db2.gz PRNYIZAGHXAQPA-CVEARBPZSA-N 1 2 269.348 2.217 20 30 CEEDLO C=CCOc1cccnc1C(=O)OCCCn1cc[nH+]c1 ZINC000784537303 647860364 /nfs/dbraw/zinc/86/03/64/647860364.db2.gz JYAWXBZNSVIWBL-UHFFFAOYSA-N 1 2 287.319 2.090 20 30 CEEDLO C=CCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000789821128 648346513 /nfs/dbraw/zinc/34/65/13/648346513.db2.gz PCGGPNOEXQQXRP-TWGQIWQCSA-N 1 2 285.391 2.213 20 30 CEEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(Cl)c1O ZINC000790301479 648403660 /nfs/dbraw/zinc/40/36/60/648403660.db2.gz DNQKOATZZXQQPL-UHFFFAOYSA-N 1 2 280.715 2.234 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc(O)c(Br)c1 ZINC000790300050 648403682 /nfs/dbraw/zinc/40/36/82/648403682.db2.gz ONKHFGPACVKGIQ-UHFFFAOYSA-N 1 2 295.140 2.334 20 30 CEEDLO CCCC[N@H+](Cn1nc(CC#N)n(C)c1=S)C1CC1 ZINC000794621700 648894064 /nfs/dbraw/zinc/89/40/64/648894064.db2.gz XSECGVJXFYZBFV-UHFFFAOYSA-N 1 2 279.413 2.239 20 30 CEEDLO CCCC[N@@H+](Cn1nc(CC#N)n(C)c1=S)C1CC1 ZINC000794621700 648894066 /nfs/dbraw/zinc/89/40/66/648894066.db2.gz 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ZINC001043604933 811390226 /nfs/dbraw/zinc/39/02/26/811390226.db2.gz PMYYEGOGNAOAMI-UHFFFAOYSA-N 1 2 275.396 2.320 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(OC)c2C)C1 ZINC001043975672 811420821 /nfs/dbraw/zinc/42/08/21/811420821.db2.gz YVWQHSVNAAKQQB-UHFFFAOYSA-N 1 2 288.391 2.336 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CC=C(C)C)C1 ZINC001044037810 811430434 /nfs/dbraw/zinc/43/04/34/811430434.db2.gz OJNMRYNAHQDHIJ-HOTGVXAUSA-N 1 2 292.423 2.076 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001044032978 811430549 /nfs/dbraw/zinc/43/05/49/811430549.db2.gz DFXOEGHHTVNOAY-MJGOQNOKSA-N 1 2 296.414 2.346 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001044069614 811435293 /nfs/dbraw/zinc/43/52/93/811435293.db2.gz SWKLQTLGIQKLBZ-LBPRGKRZSA-N 1 2 276.355 2.258 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001044210926 811453729 /nfs/dbraw/zinc/45/37/29/811453729.db2.gz XPCYXVITZAJDAB-UHFFFAOYSA-N 1 2 279.771 2.067 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C)cc2)C1 ZINC001044222324 811456918 /nfs/dbraw/zinc/45/69/18/811456918.db2.gz DVVDKKPOMYZZDB-UHFFFAOYSA-N 1 2 258.365 2.327 20 30 CEEDLO Cc1ccc(C(=NO)Nc2cccn3cc[nH+]c23)nc1 ZINC001169408029 811500452 /nfs/dbraw/zinc/50/04/52/811500452.db2.gz CKBATPYOWIWLEC-UHFFFAOYSA-N 1 2 267.292 2.286 20 30 CEEDLO COc1cc2[nH+]ccn2cc1NC=CC(=O)C(F)(F)F ZINC001169480777 811526196 /nfs/dbraw/zinc/52/61/96/811526196.db2.gz SRUZPANJWIHEAI-NSCUHMNNSA-N 1 2 285.225 2.400 20 30 CEEDLO C=CCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001122950809 815458242 /nfs/dbraw/zinc/45/82/42/815458242.db2.gz ORFYKZWHBKPABN-WCQYABFASA-N 1 2 274.368 2.153 20 30 CEEDLO COC(=O)n1ncc(C#N)c1Nc1c[nH+]cc(C)c1C ZINC001169968012 811720884 /nfs/dbraw/zinc/72/08/84/811720884.db2.gz JRROLSWJNIVNRA-UHFFFAOYSA-N 1 2 271.280 2.125 20 30 CEEDLO N#C[C@@H]1CCCC[N@@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169954502 811724624 /nfs/dbraw/zinc/72/46/24/811724624.db2.gz BKIHNRKIVXMIJD-STQMWFEESA-N 1 2 250.342 2.050 20 30 CEEDLO N#C[C@@H]1CCCC[N@H+]1[C@H]1CCCC2(C1)OCCO2 ZINC001169954502 811724629 /nfs/dbraw/zinc/72/46/29/811724629.db2.gz BKIHNRKIVXMIJD-STQMWFEESA-N 1 2 250.342 2.050 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046266678 811725827 /nfs/dbraw/zinc/72/58/27/811725827.db2.gz OMYDTSHACVPZDG-HNNXBMFYSA-N 1 2 295.814 2.280 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046266678 811725835 /nfs/dbraw/zinc/72/58/35/811725835.db2.gz OMYDTSHACVPZDG-HNNXBMFYSA-N 1 2 295.814 2.280 20 30 CEEDLO Cc1cc(-c2c[nH+]c3c(c2)CCCN3)cnc1C#N ZINC001242357115 811773446 /nfs/dbraw/zinc/77/34/46/811773446.db2.gz HCYUKRMJAXFJJS-UHFFFAOYSA-N 1 2 250.305 2.325 20 30 CEEDLO N#Cc1cc(-c2c[nH+]c3c(c2)CCCN3)ccc1O ZINC001242566068 811906678 /nfs/dbraw/zinc/90/66/78/811906678.db2.gz HPDQHKAWADEHPJ-UHFFFAOYSA-N 1 2 251.289 2.327 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CC1)C2 ZINC001109708205 811930045 /nfs/dbraw/zinc/93/00/45/811930045.db2.gz SODJJNQLSLRLCC-WOPDTQHZSA-N 1 2 286.778 2.210 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CC1)C2 ZINC001109708205 811930049 /nfs/dbraw/zinc/93/00/49/811930049.db2.gz SODJJNQLSLRLCC-WOPDTQHZSA-N 1 2 286.778 2.210 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109947749 811973689 /nfs/dbraw/zinc/97/36/89/811973689.db2.gz PCJHBFGEBCPEOQ-ZDUSSCGKSA-N 1 2 288.395 2.304 20 30 CEEDLO C=CCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109962694 811975492 /nfs/dbraw/zinc/97/54/92/811975492.db2.gz YEOCYQSARAGEJG-AWEZNQCLSA-N 1 2 288.395 2.448 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(CCCCC)n[nH]2)CC1 ZINC001113422530 812237883 /nfs/dbraw/zinc/23/78/83/812237883.db2.gz QKQKEEATEHZEOE-UHFFFAOYSA-N 1 2 290.411 2.086 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)OCc1c[nH+]cn1CC ZINC001123375393 815511378 /nfs/dbraw/zinc/51/13/78/815511378.db2.gz KVZDKKABWSMAGM-CQSZACIVSA-N 1 2 266.341 2.175 20 30 CEEDLO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113727772 812309689 /nfs/dbraw/zinc/30/96/89/812309689.db2.gz GGWOLCHWUBZYDX-LBPRGKRZSA-N 1 2 290.411 2.328 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097244208 812345751 /nfs/dbraw/zinc/34/57/51/812345751.db2.gz XWZQWKXBQVHSDG-TXEJJXNPSA-N 1 2 274.368 2.056 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098195454 812367744 /nfs/dbraw/zinc/36/77/44/812367744.db2.gz GIVAGYOODOOAMY-NEPJUHHUSA-N 1 2 276.384 2.304 20 30 CEEDLO CC[C@](C)(C#N)[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172789713 815523253 /nfs/dbraw/zinc/52/32/53/815523253.db2.gz GDIRBIVPWDRVNR-SGMGOOAPSA-N 1 2 252.358 2.390 20 30 CEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C(C)(C)C)CCO2 ZINC001053309397 812498085 /nfs/dbraw/zinc/49/80/85/812498085.db2.gz GYLFFJBAIKISPN-AWEZNQCLSA-N 1 2 294.439 2.158 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCCC1)O2 ZINC001053561355 812506657 /nfs/dbraw/zinc/50/66/57/812506657.db2.gz MEQPWUHMEIFNQU-HNNXBMFYSA-N 1 2 292.423 2.102 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)=C1CCC1)CO2 ZINC001053796235 812515302 /nfs/dbraw/zinc/51/53/02/812515302.db2.gz DYFGZJRNQTUSQQ-OAHLLOKOSA-N 1 2 290.407 2.022 20 30 CEEDLO C=CCCN(C)C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001123622222 815538480 /nfs/dbraw/zinc/53/84/80/815538480.db2.gz QKUOVBBIRVAEJW-UHFFFAOYSA-N 1 2 262.357 2.231 20 30 CEEDLO C[C@H](Cc1ccc(F)cc1Cl)N1CC[NH2+]C[C@@H]1C#N ZINC001172863982 815538782 /nfs/dbraw/zinc/53/87/82/815538782.db2.gz NDDXPLQBBLHESK-MFKMUULPSA-N 1 2 281.762 2.207 20 30 CEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1 ZINC001050812677 812868750 /nfs/dbraw/zinc/86/87/50/812868750.db2.gz NPBCCUFJLPCHHN-AWEZNQCLSA-N 1 2 294.420 2.145 20 30 CEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1 ZINC001050812677 812868755 /nfs/dbraw/zinc/86/87/55/812868755.db2.gz NPBCCUFJLPCHHN-AWEZNQCLSA-N 1 2 294.420 2.145 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001051218474 812885238 /nfs/dbraw/zinc/88/52/38/812885238.db2.gz DAIHSRJZBABGDP-MRXNPFEDSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001051218474 812885246 /nfs/dbraw/zinc/88/52/46/812885246.db2.gz DAIHSRJZBABGDP-MRXNPFEDSA-N 1 2 288.391 2.002 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccn1 ZINC001137409898 813037403 /nfs/dbraw/zinc/03/74/03/813037403.db2.gz LSYALCJZBVIYMM-ZDUSSCGKSA-N 1 2 260.362 2.164 20 30 CEEDLO Cc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccn1 ZINC001137409898 813037410 /nfs/dbraw/zinc/03/74/10/813037410.db2.gz LSYALCJZBVIYMM-ZDUSSCGKSA-N 1 2 260.362 2.164 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001133378555 813041924 /nfs/dbraw/zinc/04/19/24/813041924.db2.gz GWZTVJJCPLOJPL-OAHLLOKOSA-N 1 2 294.399 2.001 20 30 CEEDLO CCc1nc(C[N@H+](C)CCO[C@H](C)C#N)cs1 ZINC000383085628 813093820 /nfs/dbraw/zinc/09/38/20/813093820.db2.gz VKIJAWHOUUVOGM-SNVBAGLBSA-N 1 2 253.371 2.066 20 30 CEEDLO CCc1nc(C[N@@H+](C)CCO[C@H](C)C#N)cs1 ZINC000383085628 813093833 /nfs/dbraw/zinc/09/38/33/813093833.db2.gz VKIJAWHOUUVOGM-SNVBAGLBSA-N 1 2 253.371 2.066 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccncc2)CC[C@H]1C ZINC001071311798 813359483 /nfs/dbraw/zinc/35/94/83/813359483.db2.gz BAGYDFJAGKRYHM-TZMCWYRMSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccncc2)CC[C@H]1C ZINC001071311798 813359490 /nfs/dbraw/zinc/35/94/90/813359490.db2.gz BAGYDFJAGKRYHM-TZMCWYRMSA-N 1 2 293.798 2.417 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071466826 813415580 /nfs/dbraw/zinc/41/55/80/813415580.db2.gz HSWCRKBSSJXPIR-WDEREUQCSA-N 1 2 280.368 2.103 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071466826 813415582 /nfs/dbraw/zinc/41/55/82/813415582.db2.gz HSWCRKBSSJXPIR-WDEREUQCSA-N 1 2 280.368 2.103 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)CC[C@H]1C ZINC001071527066 813429862 /nfs/dbraw/zinc/42/98/62/813429862.db2.gz XMZNLNRDBUPOMW-YPMHNXCESA-N 1 2 281.787 2.350 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)CC[C@H]1C ZINC001071527066 813429872 /nfs/dbraw/zinc/42/98/72/813429872.db2.gz XMZNLNRDBUPOMW-YPMHNXCESA-N 1 2 281.787 2.350 20 30 CEEDLO C=C[C@@H]1C[C@@]1(Nc1ccc2[nH+]cn(C)c2c1)C(=O)OCC ZINC001170915333 813636665 /nfs/dbraw/zinc/63/66/65/813636665.db2.gz CEGRUTNAIKZWLL-BZNIZROVSA-N 1 2 285.347 2.493 20 30 CEEDLO C#CCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136769599 813756788 /nfs/dbraw/zinc/75/67/88/813756788.db2.gz QZRQBOWWAVPVOH-OKILXGFUSA-N 1 2 271.364 2.192 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141011 813808151 /nfs/dbraw/zinc/80/81/51/813808151.db2.gz PWQSLPCRJOBCHP-HZPDHXFCSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141011 813808163 /nfs/dbraw/zinc/80/81/63/813808163.db2.gz PWQSLPCRJOBCHP-HZPDHXFCSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001074323245 813827215 /nfs/dbraw/zinc/82/72/15/813827215.db2.gz BLMKDJAYSORPLG-LSDHHAIUSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001074323245 813827222 /nfs/dbraw/zinc/82/72/22/813827222.db2.gz BLMKDJAYSORPLG-LSDHHAIUSA-N 1 2 294.439 2.300 20 30 CEEDLO C[N@H+](Cc1cncc(C#N)c1)Cc1cccc2c1OCO2 ZINC001144086356 813946925 /nfs/dbraw/zinc/94/69/25/813946925.db2.gz PECDZLSRTFCLCV-UHFFFAOYSA-N 1 2 281.315 2.314 20 30 CEEDLO C[N@@H+](Cc1cncc(C#N)c1)Cc1cccc2c1OCO2 ZINC001144086356 813946930 /nfs/dbraw/zinc/94/69/30/813946930.db2.gz PECDZLSRTFCLCV-UHFFFAOYSA-N 1 2 281.315 2.314 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)OCC)cc1 ZINC001144568300 814118148 /nfs/dbraw/zinc/11/81/48/814118148.db2.gz PSFPXLHRCIXXMX-DOTOQJQBSA-N 1 2 269.344 2.195 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)OCC)cc1 ZINC001144568300 814118152 /nfs/dbraw/zinc/11/81/52/814118152.db2.gz PSFPXLHRCIXXMX-DOTOQJQBSA-N 1 2 269.344 2.195 20 30 CEEDLO C=CCCCC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091504775 814257705 /nfs/dbraw/zinc/25/77/05/814257705.db2.gz 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ZINC000340662877 215674131 /nfs/dbraw/zinc/67/41/31/215674131.db2.gz NSFMQQNYQTVWKQ-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO Cc1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)nc1 ZINC000340662877 215674133 /nfs/dbraw/zinc/67/41/33/215674133.db2.gz NSFMQQNYQTVWKQ-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000685002113 540308045 /nfs/dbraw/zinc/30/80/45/540308045.db2.gz VQXRYJVPSQEWGK-HUUCEWRRSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2c2cccc(F)c2)C1=O ZINC000685002113 540308049 /nfs/dbraw/zinc/30/80/49/540308049.db2.gz VQXRYJVPSQEWGK-HUUCEWRRSA-N 1 2 274.339 2.359 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)N(C)c1ccccc1 ZINC000135086518 366394493 /nfs/dbraw/zinc/39/44/93/366394493.db2.gz OXXGZTQIZPZSTG-UHFFFAOYSA-N 1 2 259.353 2.275 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)N(C)c1ccccc1 ZINC000135086518 366394502 /nfs/dbraw/zinc/39/45/02/366394502.db2.gz OXXGZTQIZPZSTG-UHFFFAOYSA-N 1 2 259.353 2.275 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCC1CCCCC1 ZINC000578546607 366512163 /nfs/dbraw/zinc/51/21/63/366512163.db2.gz JJAMOPIFGSBANP-AWEZNQCLSA-N 1 2 265.401 2.355 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCC1CCCCC1 ZINC000578546608 366512479 /nfs/dbraw/zinc/51/24/79/366512479.db2.gz JJAMOPIFGSBANP-CQSZACIVSA-N 1 2 265.401 2.355 20 30 CEEDLO COCC[N@H+](Cc1cc(C)nn1C)Cc1ccc(C#N)cc1 ZINC000417722296 237249725 /nfs/dbraw/zinc/24/97/25/237249725.db2.gz VJFHKLLIAIRZTJ-UHFFFAOYSA-N 1 2 298.390 2.249 20 30 CEEDLO COCC[N@@H+](Cc1cc(C)nn1C)Cc1ccc(C#N)cc1 ZINC000417722296 237249732 /nfs/dbraw/zinc/24/97/32/237249732.db2.gz VJFHKLLIAIRZTJ-UHFFFAOYSA-N 1 2 298.390 2.249 20 30 CEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C[C@@H]1C ZINC000579248269 366617411 /nfs/dbraw/zinc/61/74/11/366617411.db2.gz NXHNOHIUUINXKL-OSFYFWSMSA-N 1 2 265.401 2.019 20 30 CEEDLO C=CCCC(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000176806488 189009519 /nfs/dbraw/zinc/00/95/19/189009519.db2.gz CYQAXDGBQUMAOJ-UHFFFAOYSA-N 1 2 285.351 2.492 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000176979836 189018317 /nfs/dbraw/zinc/01/83/17/189018317.db2.gz IAOGANDPGKSSPX-AWEZNQCLSA-N 1 2 258.321 2.258 20 30 CEEDLO N#Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000580071933 366745049 /nfs/dbraw/zinc/74/50/49/366745049.db2.gz FZKHHYIFEZWGIA-LLVKDONJSA-N 1 2 296.334 2.088 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)C1 ZINC000331243610 291276767 /nfs/dbraw/zinc/27/67/67/291276767.db2.gz OKJXQTSONKABRK-SMDDNHRTSA-N 1 2 258.321 2.114 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)C1 ZINC000331243610 291276768 /nfs/dbraw/zinc/27/67/68/291276768.db2.gz OKJXQTSONKABRK-SMDDNHRTSA-N 1 2 258.321 2.114 20 30 CEEDLO N#Cc1ccccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000184513504 189388581 /nfs/dbraw/zinc/38/85/81/189388581.db2.gz ZCFNEMOGTVJPJB-AWEZNQCLSA-N 1 2 256.305 2.365 20 30 CEEDLO C=C(C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000679204746 541228147 /nfs/dbraw/zinc/22/81/47/541228147.db2.gz VOMQNPMHTJAFQH-UHFFFAOYSA-N 1 2 257.337 2.220 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)CC1 ZINC000186583757 189443820 /nfs/dbraw/zinc/44/38/20/189443820.db2.gz NPGNHGLNVYWMME-UHFFFAOYSA-N 1 2 250.729 2.168 20 30 CEEDLO COCC[N@H+](CCC#N)CCc1ccc2c(c1)CCO2 ZINC000088102347 363878255 /nfs/dbraw/zinc/87/82/55/363878255.db2.gz OCIMXDBXZNRKSY-UHFFFAOYSA-N 1 2 274.364 2.026 20 30 CEEDLO COCC[N@@H+](CCC#N)CCc1ccc2c(c1)CCO2 ZINC000088102347 363878256 /nfs/dbraw/zinc/87/82/56/363878256.db2.gz OCIMXDBXZNRKSY-UHFFFAOYSA-N 1 2 274.364 2.026 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000340341362 366855329 /nfs/dbraw/zinc/85/53/29/366855329.db2.gz YZDVJDFXDRILSQ-UHFFFAOYSA-N 1 2 294.358 2.256 20 30 CEEDLO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC000335162767 364562295 /nfs/dbraw/zinc/56/22/95/364562295.db2.gz JQYHKVBXMAFDOC-LBPRGKRZSA-N 1 2 265.316 2.426 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1sccc1C)C[C@@H](C)C#N ZINC000098134555 364535710 /nfs/dbraw/zinc/53/57/10/364535710.db2.gz JLXZNHCMXFRNHT-NSHDSACASA-N 1 2 279.409 2.154 20 30 CEEDLO CC[N@H+](CC(=O)NCc1sccc1C)C[C@@H](C)C#N ZINC000098134555 364535715 /nfs/dbraw/zinc/53/57/15/364535715.db2.gz JLXZNHCMXFRNHT-NSHDSACASA-N 1 2 279.409 2.154 20 30 CEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2F)C(N)=O)cc1 ZINC000115595188 365017919 /nfs/dbraw/zinc/01/79/19/365017919.db2.gz QSUKKXBMMPEGQB-OAHLLOKOSA-N 1 2 283.306 2.014 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336042882 365330918 /nfs/dbraw/zinc/33/09/18/365330918.db2.gz MBCUONUPPZJKOU-CQSZACIVSA-N 1 2 294.358 2.360 20 30 CEEDLO CC(C)c1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000582236995 366882122 /nfs/dbraw/zinc/88/21/22/366882122.db2.gz XIUHMGPWBUYWMR-MRXNPFEDSA-N 1 2 275.396 2.428 20 30 CEEDLO CC(C)c1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000582236995 366882125 /nfs/dbraw/zinc/88/21/25/366882125.db2.gz XIUHMGPWBUYWMR-MRXNPFEDSA-N 1 2 275.396 2.428 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)s1 ZINC000120588095 365446110 /nfs/dbraw/zinc/44/61/10/365446110.db2.gz AXGHFJMSHMTVMP-UHFFFAOYSA-N 1 2 271.336 2.002 20 30 CEEDLO C[C@H](CC(=O)N(C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000582304325 366892280 /nfs/dbraw/zinc/89/22/80/366892280.db2.gz JSPYIGDGKUFULI-CYBMUJFWSA-N 1 2 282.347 2.364 20 30 CEEDLO C=C(C)[C@H](CO)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000680900438 541471142 /nfs/dbraw/zinc/47/11/42/541471142.db2.gz QOVXRFADIKSZBO-HIFRSBDPSA-N 1 2 280.437 2.364 20 30 CEEDLO CC#CCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681042409 541493207 /nfs/dbraw/zinc/49/32/07/541493207.db2.gz NFAHXOAPOAINCT-AWEZNQCLSA-N 1 2 259.353 2.240 20 30 CEEDLO C[N@H+](CCn1cccn1)Cc1cc(F)ccc1C#N ZINC000160346994 366998625 /nfs/dbraw/zinc/99/86/25/366998625.db2.gz YSLNEJGUIFRZSU-UHFFFAOYSA-N 1 2 258.300 2.026 20 30 CEEDLO C[N@@H+](CCn1cccn1)Cc1cc(F)ccc1C#N ZINC000160346994 366998629 /nfs/dbraw/zinc/99/86/29/366998629.db2.gz YSLNEJGUIFRZSU-UHFFFAOYSA-N 1 2 258.300 2.026 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)C1CC1 ZINC000357525617 370819983 /nfs/dbraw/zinc/81/99/83/370819983.db2.gz DXAQHJMGFWANOC-UHFFFAOYSA-N 1 2 272.348 2.478 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)C1CC1 ZINC000357525617 370819986 /nfs/dbraw/zinc/81/99/86/370819986.db2.gz DXAQHJMGFWANOC-UHFFFAOYSA-N 1 2 272.348 2.478 20 30 CEEDLO COc1cccc2c1cc[nH+]c2N1CC[C@@](O)(CC#N)C1 ZINC000591976500 367201515 /nfs/dbraw/zinc/20/15/15/367201515.db2.gz XWZHDCMWCLBGIF-INIZCTEOSA-N 1 2 283.331 2.098 20 30 CEEDLO C=CCN1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000175442305 368137881 /nfs/dbraw/zinc/13/78/81/368137881.db2.gz QVXPCRRGSQADCM-UHFFFAOYSA-N 1 2 276.380 2.007 20 30 CEEDLO CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H](C)C#N ZINC000345519918 368308799 /nfs/dbraw/zinc/30/87/99/368308799.db2.gz LDGSNFJSXYUIKC-CYBMUJFWSA-N 1 2 253.390 2.113 20 30 CEEDLO CC[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H](C)C#N ZINC000345519918 368308802 /nfs/dbraw/zinc/30/88/02/368308802.db2.gz LDGSNFJSXYUIKC-CYBMUJFWSA-N 1 2 253.390 2.113 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180853619 368399824 /nfs/dbraw/zinc/39/98/24/368399824.db2.gz LDEHSLHSUUQLIR-UONOGXRCSA-N 1 2 298.394 2.236 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180853619 368399830 /nfs/dbraw/zinc/39/98/30/368399830.db2.gz LDEHSLHSUUQLIR-UONOGXRCSA-N 1 2 298.394 2.236 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185038121 368738317 /nfs/dbraw/zinc/73/83/17/368738317.db2.gz IOKBHSFTYOMLIX-ZYHUDNBSSA-N 1 2 294.424 2.110 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000246048870 370903622 /nfs/dbraw/zinc/90/36/22/370903622.db2.gz PUZFPCPBTPUYJV-WBVHZDCISA-N 1 2 298.342 2.258 20 30 CEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000246048870 370903627 /nfs/dbraw/zinc/90/36/27/370903627.db2.gz PUZFPCPBTPUYJV-WBVHZDCISA-N 1 2 298.342 2.258 20 30 CEEDLO C#CC[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185124351 368751704 /nfs/dbraw/zinc/75/17/04/368751704.db2.gz YKYCHSFAAJXVHY-SNVBAGLBSA-N 1 2 257.293 2.029 20 30 CEEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346814428 368790480 /nfs/dbraw/zinc/79/04/80/368790480.db2.gz BJETYYVLHGAXFD-GFCCVEGCSA-N 1 2 289.354 2.381 20 30 CEEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346814428 368790485 /nfs/dbraw/zinc/79/04/85/368790485.db2.gz BJETYYVLHGAXFD-GFCCVEGCSA-N 1 2 289.354 2.381 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)n1 ZINC000348110383 368901522 /nfs/dbraw/zinc/90/15/22/368901522.db2.gz MGRYAQLJBSFCKR-SNVBAGLBSA-N 1 2 259.284 2.219 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(F)c1C#N ZINC000348323351 369003123 /nfs/dbraw/zinc/00/31/23/369003123.db2.gz NBLAQSODKHFSTF-UHFFFAOYSA-N 1 2 285.278 2.031 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000348526943 369071432 /nfs/dbraw/zinc/07/14/32/369071432.db2.gz YFCYKHPWGHAEBH-WBVHZDCISA-N 1 2 285.391 2.488 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000348526943 369071435 /nfs/dbraw/zinc/07/14/35/369071435.db2.gz YFCYKHPWGHAEBH-WBVHZDCISA-N 1 2 285.391 2.488 20 30 CEEDLO C=CCN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CC1 ZINC000635764676 369329385 /nfs/dbraw/zinc/32/93/85/369329385.db2.gz KTOKWIZPRAFLAU-UHFFFAOYSA-N 1 2 283.331 2.369 20 30 CEEDLO C=C(C)CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635821528 369362215 /nfs/dbraw/zinc/36/22/15/369362215.db2.gz WVKZRHULUKEUQS-VIFPVBQESA-N 1 2 261.247 2.069 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC000246385397 370953591 /nfs/dbraw/zinc/95/35/91/370953591.db2.gz HIUAPWAYQZSKJY-IKGGRYGDSA-N 1 2 286.375 2.327 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccccc3C#N)[C@H]2C1 ZINC000246385397 370953594 /nfs/dbraw/zinc/95/35/94/370953594.db2.gz HIUAPWAYQZSKJY-IKGGRYGDSA-N 1 2 286.375 2.327 20 30 CEEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000192235677 369782386 /nfs/dbraw/zinc/78/23/86/369782386.db2.gz KQQUOINLABXWSP-CYBMUJFWSA-N 1 2 296.292 2.376 20 30 CEEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000192235677 369782394 /nfs/dbraw/zinc/78/23/94/369782394.db2.gz KQQUOINLABXWSP-CYBMUJFWSA-N 1 2 296.292 2.376 20 30 CEEDLO C=CCCOCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000192347625 369799829 /nfs/dbraw/zinc/79/98/29/369799829.db2.gz CIVJWTBBDZHZBL-UHFFFAOYSA-N 1 2 262.357 2.081 20 30 CEEDLO C=CCCOCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000192347625 369799834 /nfs/dbraw/zinc/79/98/34/369799834.db2.gz CIVJWTBBDZHZBL-UHFFFAOYSA-N 1 2 262.357 2.081 20 30 CEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637262925 369872276 /nfs/dbraw/zinc/87/22/76/369872276.db2.gz FNVGJIKQIHHDBP-UMVBOHGHSA-N 1 2 288.395 2.242 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000637321682 369899126 /nfs/dbraw/zinc/89/91/26/369899126.db2.gz JEOHSWHHLJGALY-UHFFFAOYSA-N 1 2 264.373 2.164 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000352835273 369903643 /nfs/dbraw/zinc/90/36/43/369903643.db2.gz OHNWLHFLCPHMHQ-UHFFFAOYSA-N 1 2 274.305 2.213 20 30 CEEDLO C[NH+](C)[C@@H](CNCc1nc(C#N)cs1)c1ccsc1 ZINC000352852815 369914259 /nfs/dbraw/zinc/91/42/59/369914259.db2.gz KLSPGWVBOYPKMJ-LBPRGKRZSA-N 1 2 292.433 2.469 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)nc2)C1=O ZINC000639132210 371010911 /nfs/dbraw/zinc/01/09/11/371010911.db2.gz IERDJHOBAUSYJZ-ZDUSSCGKSA-N 1 2 295.333 2.238 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C1=O ZINC000639132210 371010914 /nfs/dbraw/zinc/01/09/14/371010914.db2.gz IERDJHOBAUSYJZ-ZDUSSCGKSA-N 1 2 295.333 2.238 20 30 CEEDLO N#Cc1c[nH]c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000359026431 371306563 /nfs/dbraw/zinc/30/65/63/371306563.db2.gz IOLKNDUGBTXXOS-UHFFFAOYSA-N 1 2 299.721 2.117 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1C ZINC000249864959 371366839 /nfs/dbraw/zinc/36/68/39/371366839.db2.gz HMSLSWVWAPWDCK-UKRRQHHQSA-N 1 2 287.407 2.481 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccccc1C ZINC000249864959 371366842 /nfs/dbraw/zinc/36/68/42/371366842.db2.gz HMSLSWVWAPWDCK-UKRRQHHQSA-N 1 2 287.407 2.481 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1O ZINC000249541423 371333304 /nfs/dbraw/zinc/33/33/04/371333304.db2.gz FAEOSOWKWZYJPL-QMTHXVAHSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1O ZINC000249541423 371333308 /nfs/dbraw/zinc/33/33/08/371333308.db2.gz FAEOSOWKWZYJPL-QMTHXVAHSA-N 1 2 264.756 2.414 20 30 CEEDLO CCC#C[C@H](C)[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038673 371762252 /nfs/dbraw/zinc/76/22/52/371762252.db2.gz HBIRFLCFYXUWQS-MOKVOYLWSA-N 1 2 272.396 2.409 20 30 CEEDLO CCC#C[C@H](C)[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038673 371762256 /nfs/dbraw/zinc/76/22/56/371762256.db2.gz HBIRFLCFYXUWQS-MOKVOYLWSA-N 1 2 272.396 2.409 20 30 CEEDLO Cc1nc(C[NH+]2CCN(c3ccccc3C#N)CC2)oc1C ZINC000263650653 371944834 /nfs/dbraw/zinc/94/48/34/371944834.db2.gz BLYGRULFXQWALV-UHFFFAOYSA-N 1 2 296.374 2.485 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000264423933 371994592 /nfs/dbraw/zinc/99/45/92/371994592.db2.gz AVCPFVKIXBNQRE-AWEZNQCLSA-N 1 2 275.396 2.370 20 30 CEEDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(C#N)cc1F ZINC000344366093 217170361 /nfs/dbraw/zinc/17/03/61/217170361.db2.gz APHXGMNDPXRDNQ-NSHDSACASA-N 1 2 299.353 2.476 20 30 CEEDLO C=CCCC[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000641234182 372402088 /nfs/dbraw/zinc/40/20/88/372402088.db2.gz DNXXATHMGNXXKQ-CQSZACIVSA-N 1 2 278.400 2.070 20 30 CEEDLO CC[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000362652674 372472947 /nfs/dbraw/zinc/47/29/47/372472947.db2.gz APSIFEGZOSMYOE-GFCCVEGCSA-N 1 2 294.786 2.129 20 30 CEEDLO CC[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000362652674 372472950 /nfs/dbraw/zinc/47/29/50/372472950.db2.gz APSIFEGZOSMYOE-GFCCVEGCSA-N 1 2 294.786 2.129 20 30 CEEDLO CC[C@H]1C[N@H+](CCNc2cccc(F)c2C#N)CCO1 ZINC000362663546 372477783 /nfs/dbraw/zinc/47/77/83/372477783.db2.gz KUGIPSLUNAMTMB-LBPRGKRZSA-N 1 2 277.343 2.220 20 30 CEEDLO CC[C@H]1C[N@@H+](CCNc2cccc(F)c2C#N)CCO1 ZINC000362663546 372477787 /nfs/dbraw/zinc/47/77/87/372477787.db2.gz KUGIPSLUNAMTMB-LBPRGKRZSA-N 1 2 277.343 2.220 20 30 CEEDLO C[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000362818294 372534564 /nfs/dbraw/zinc/53/45/64/372534564.db2.gz SZXJFMZFWOEUHN-UONOGXRCSA-N 1 2 296.374 2.311 20 30 CEEDLO N#CCSCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364803201 372794488 /nfs/dbraw/zinc/79/44/88/372794488.db2.gz QZIPELZECCKVSX-CYBMUJFWSA-N 1 2 287.392 2.131 20 30 CEEDLO Cc1[nH+]c2n(c1C)CCN(c1c(C#N)cccc1C#N)C2 ZINC000364615053 372773175 /nfs/dbraw/zinc/77/31/75/372773175.db2.gz RAWFVHHAQHHUIC-UHFFFAOYSA-N 1 2 277.331 2.264 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(C#N)n1)CCC2 ZINC000370152022 373591597 /nfs/dbraw/zinc/59/15/97/373591597.db2.gz YCFOVARKKOPGFJ-GFCCVEGCSA-N 1 2 267.336 2.448 20 30 CEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(C#N)c3)n2)C1 ZINC000272655657 373601692 /nfs/dbraw/zinc/60/16/92/373601692.db2.gz NSHPIMOMGBOLNT-CQSZACIVSA-N 1 2 298.346 2.390 20 30 CEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(C#N)c3)n2)C1 ZINC000272655657 373601703 /nfs/dbraw/zinc/60/17/03/373601703.db2.gz NSHPIMOMGBOLNT-CQSZACIVSA-N 1 2 298.346 2.390 20 30 CEEDLO CC#CCCCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000274320506 373879102 /nfs/dbraw/zinc/87/91/02/373879102.db2.gz IKZPQVOTDIVBKB-ZDUSSCGKSA-N 1 2 277.368 2.197 20 30 CEEDLO CC#CCCCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000274320506 373879110 /nfs/dbraw/zinc/87/91/10/373879110.db2.gz IKZPQVOTDIVBKB-ZDUSSCGKSA-N 1 2 277.368 2.197 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000371470925 373893943 /nfs/dbraw/zinc/89/39/43/373893943.db2.gz POSQSURYJLXCKS-OAHLLOKOSA-N 1 2 294.439 2.492 20 30 CEEDLO C#CC[N@@H+](CC(=O)N1CCCc2ccccc21)C1CC1 ZINC000274220298 373844394 /nfs/dbraw/zinc/84/43/94/373844394.db2.gz VDDPKKCFFXQOPK-UHFFFAOYSA-N 1 2 268.360 2.063 20 30 CEEDLO C#CC[N@H+](CC(=O)N1CCCc2ccccc21)C1CC1 ZINC000274220298 373844402 /nfs/dbraw/zinc/84/44/02/373844402.db2.gz VDDPKKCFFXQOPK-UHFFFAOYSA-N 1 2 268.360 2.063 20 30 CEEDLO C=CC[N@@H+](C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000275146918 374167572 /nfs/dbraw/zinc/16/75/72/374167572.db2.gz QQMUXEFPGCGMLN-UHFFFAOYSA-N 1 2 277.290 2.287 20 30 CEEDLO C=CC[N@H+](C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000275146918 374167575 /nfs/dbraw/zinc/16/75/75/374167575.db2.gz QQMUXEFPGCGMLN-UHFFFAOYSA-N 1 2 277.290 2.287 20 30 CEEDLO C=CCC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CCC1 ZINC000276703800 374272017 /nfs/dbraw/zinc/27/20/17/374272017.db2.gz XEPINVCNLXEOMH-ZDUSSCGKSA-N 1 2 261.369 2.382 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277232655 374447680 /nfs/dbraw/zinc/44/76/80/374447680.db2.gz OVQZFILTEXURES-VLXJIEOASA-N 1 2 276.405 2.462 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277232655 374447684 /nfs/dbraw/zinc/44/76/84/374447684.db2.gz OVQZFILTEXURES-VLXJIEOASA-N 1 2 276.405 2.462 20 30 CEEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)[nH]1 ZINC000277420635 374513033 /nfs/dbraw/zinc/51/30/33/374513033.db2.gz MPISETZKNBABRH-WDEREUQCSA-N 1 2 286.383 2.379 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000277533942 374556832 /nfs/dbraw/zinc/55/68/32/374556832.db2.gz YNEFGFDCLFYVTH-ZDUSSCGKSA-N 1 2 275.352 2.124 20 30 CEEDLO C#CC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000277533942 374556838 /nfs/dbraw/zinc/55/68/38/374556838.db2.gz YNEFGFDCLFYVTH-ZDUSSCGKSA-N 1 2 275.352 2.124 20 30 CEEDLO N#CCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000375737298 374674188 /nfs/dbraw/zinc/67/41/88/374674188.db2.gz BPHSRFJDHZMAJA-CQSZACIVSA-N 1 2 279.384 2.377 20 30 CEEDLO N#CCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000375737298 374674191 /nfs/dbraw/zinc/67/41/91/374674191.db2.gz BPHSRFJDHZMAJA-CQSZACIVSA-N 1 2 279.384 2.377 20 30 CEEDLO C=C(C)C[N@@H+]1CCn2c(Br)cnc2C1 ZINC000279271912 374844201 /nfs/dbraw/zinc/84/42/01/374844201.db2.gz NKVQSNAIDJHEIT-UHFFFAOYSA-N 1 2 256.147 2.037 20 30 CEEDLO C=C(C)C[N@H+]1CCn2c(Br)cnc2C1 ZINC000279271912 374844212 /nfs/dbraw/zinc/84/42/12/374844212.db2.gz NKVQSNAIDJHEIT-UHFFFAOYSA-N 1 2 256.147 2.037 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(C)s2)n1 ZINC000279713166 374962270 /nfs/dbraw/zinc/96/22/70/374962270.db2.gz KQIMGSJUVHRDMB-UHFFFAOYSA-N 1 2 274.393 2.303 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(C)s2)n1 ZINC000279713166 374962276 /nfs/dbraw/zinc/96/22/76/374962276.db2.gz KQIMGSJUVHRDMB-UHFFFAOYSA-N 1 2 274.393 2.303 20 30 CEEDLO N#Cc1ccc(NCc2cccnc2-n2cc[nH+]c2)cn1 ZINC000378003040 374998961 /nfs/dbraw/zinc/99/89/61/374998961.db2.gz KSMXDOUQYIZHIT-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1ncnn1CCF)c1ccccc1 ZINC000281750781 375394342 /nfs/dbraw/zinc/39/43/42/375394342.db2.gz XWKUYMYJCOUNNK-AWEZNQCLSA-N 1 2 272.327 2.102 20 30 CEEDLO COC(=O)[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)C ZINC000399109506 375358261 /nfs/dbraw/zinc/35/82/61/375358261.db2.gz JVZGHTVNCFTVEH-CQSZACIVSA-N 1 2 260.337 2.040 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000281245127 375365898 /nfs/dbraw/zinc/36/58/98/375365898.db2.gz FPZIUGAETDOTLM-WFASDCNBSA-N 1 2 285.347 2.045 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccoc2CCC)CC1 ZINC000281561466 375387964 /nfs/dbraw/zinc/38/79/64/375387964.db2.gz JVMCJVRCGUEERZ-UHFFFAOYSA-N 1 2 274.364 2.013 20 30 CEEDLO Cc1cccc(SC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414132789 375797751 /nfs/dbraw/zinc/79/77/51/375797751.db2.gz MURJWAVLDWVFAO-CYBMUJFWSA-N 1 2 264.394 2.294 20 30 CEEDLO Cc1cccc(SC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414132789 375797756 /nfs/dbraw/zinc/79/77/56/375797756.db2.gz MURJWAVLDWVFAO-CYBMUJFWSA-N 1 2 264.394 2.294 20 30 CEEDLO C=CCC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)OCC ZINC000418118829 376238234 /nfs/dbraw/zinc/23/82/34/376238234.db2.gz UKENKDNSYOHJSZ-NWDGAFQWSA-N 1 2 255.358 2.041 20 30 CEEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CC(C)(C)CC#N ZINC000419356269 376444916 /nfs/dbraw/zinc/44/49/16/376444916.db2.gz SOVNPXIROCNAPJ-GFCCVEGCSA-N 1 2 254.374 2.494 20 30 CEEDLO C[C@@H](CC(=O)N(CCC#N)Cc1ccco1)n1cc[nH+]c1 ZINC000556687352 376463504 /nfs/dbraw/zinc/46/35/04/376463504.db2.gz GNBVXGMRAAGOHH-ZDUSSCGKSA-N 1 2 286.335 2.370 20 30 CEEDLO C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2F)c2[nH+]ccn21 ZINC000556847362 376504976 /nfs/dbraw/zinc/50/49/76/376504976.db2.gz VWBFWMWLNQSLQU-LDYMZIIASA-N 1 2 257.272 2.407 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000574648795 335037035 /nfs/dbraw/zinc/03/70/35/335037035.db2.gz APSXVHBGKIEDEM-AWEZNQCLSA-N 1 2 271.364 2.396 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000264430860 190108675 /nfs/dbraw/zinc/10/86/75/190108675.db2.gz CJBXHYRGSBXIHX-UHFFFAOYSA-N 1 2 287.363 2.236 20 30 CEEDLO C=C1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000264473637 190112720 /nfs/dbraw/zinc/11/27/20/190112720.db2.gz ODSHOQMOVVFZGC-UHFFFAOYSA-N 1 2 254.337 2.364 20 30 CEEDLO CC1(C)CC[N@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000321895393 376827827 /nfs/dbraw/zinc/82/78/27/376827827.db2.gz PFKQHTBNBRBWIV-IBGZPJMESA-N 1 2 276.405 2.291 20 30 CEEDLO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000321895393 376827836 /nfs/dbraw/zinc/82/78/36/376827836.db2.gz PFKQHTBNBRBWIV-IBGZPJMESA-N 1 2 276.405 2.291 20 30 CEEDLO O=C(NCC1CCCC1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328607035 376858674 /nfs/dbraw/zinc/85/86/74/376858674.db2.gz KWCCCDGUHDMVHH-CYBMUJFWSA-N 1 2 276.384 2.454 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328747490 376891259 /nfs/dbraw/zinc/89/12/59/376891259.db2.gz PCKTUYLTNZZODC-NNVWEFMASA-N 1 2 296.411 2.010 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328747490 376891266 /nfs/dbraw/zinc/89/12/66/376891266.db2.gz PCKTUYLTNZZODC-NNVWEFMASA-N 1 2 296.411 2.010 20 30 CEEDLO C[C@@H]1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CCC1=O ZINC000328948459 376925619 /nfs/dbraw/zinc/92/56/19/376925619.db2.gz WDHKNLQEYFBDNG-CHWSQXEVSA-N 1 2 296.411 2.059 20 30 CEEDLO Cc1n[nH]c(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)n1 ZINC000329122584 376932614 /nfs/dbraw/zinc/93/26/14/376932614.db2.gz WTTNPXYYTDUFRD-AWEZNQCLSA-N 1 2 293.415 2.123 20 30 CEEDLO Cc1c(C[N@H+](C)CC#Cc2ccc(F)cc2)cnn1C ZINC000562608229 376945160 /nfs/dbraw/zinc/94/51/60/376945160.db2.gz VMJWEKLRYBWPJP-UHFFFAOYSA-N 1 2 271.339 2.351 20 30 CEEDLO Cc1c(C[N@@H+](C)CC#Cc2ccc(F)cc2)cnn1C ZINC000562608229 376945163 /nfs/dbraw/zinc/94/51/63/376945163.db2.gz VMJWEKLRYBWPJP-UHFFFAOYSA-N 1 2 271.339 2.351 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCCO1 ZINC000329366903 376952988 /nfs/dbraw/zinc/95/29/88/376952988.db2.gz KQPSCVIYINSRPJ-SCRDCRAPSA-N 1 2 277.368 2.360 20 30 CEEDLO N#Cc1c(Cl)nsc1NCC[NH+]1CCSCC1 ZINC000264778471 190134124 /nfs/dbraw/zinc/13/41/24/190134124.db2.gz HUMQYVIFJWRQNL-UHFFFAOYSA-N 1 2 288.829 2.129 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000425532327 377367549 /nfs/dbraw/zinc/36/75/49/377367549.db2.gz JGIBJLLUDPQNBO-LLVKDONJSA-N 1 2 285.351 2.200 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000425532327 377367554 /nfs/dbraw/zinc/36/75/54/377367554.db2.gz JGIBJLLUDPQNBO-LLVKDONJSA-N 1 2 285.351 2.200 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425511581 377354273 /nfs/dbraw/zinc/35/42/73/377354273.db2.gz ODZKFQAJOWGBQU-TVYUQYBPSA-N 1 2 294.301 2.481 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425511581 377354281 /nfs/dbraw/zinc/35/42/81/377354281.db2.gz ODZKFQAJOWGBQU-TVYUQYBPSA-N 1 2 294.301 2.481 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2oc(CCC)nc2C)C1=O ZINC000428978265 377504022 /nfs/dbraw/zinc/50/40/22/377504022.db2.gz NTVHTQZVVSQCBK-ZDUSSCGKSA-N 1 2 291.395 2.154 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2oc(CCC)nc2C)C1=O ZINC000428978265 377504031 /nfs/dbraw/zinc/50/40/31/377504031.db2.gz NTVHTQZVVSQCBK-ZDUSSCGKSA-N 1 2 291.395 2.154 20 30 CEEDLO C=C[C@@H](C)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000429103297 377508398 /nfs/dbraw/zinc/50/83/98/377508398.db2.gz MUEKHZJIRLRPGM-CYBMUJFWSA-N 1 2 278.400 2.442 20 30 CEEDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000431428180 377643892 /nfs/dbraw/zinc/64/38/92/377643892.db2.gz SLLDSEYVKKWYMJ-UHFFFAOYSA-N 1 2 284.275 2.482 20 30 CEEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565661635 377685051 /nfs/dbraw/zinc/68/50/51/377685051.db2.gz QCUIVGQZQKAPQZ-DOMZBBRYSA-N 1 2 267.417 2.409 20 30 CEEDLO C=CCCCCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000566430428 377760081 /nfs/dbraw/zinc/76/00/81/377760081.db2.gz CMRNYQILBRRTTM-CABCVRRESA-N 1 2 297.443 2.141 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000435676151 377809500 /nfs/dbraw/zinc/80/95/00/377809500.db2.gz ZKBSZCAEKKGLRL-JYJNAYRXSA-N 1 2 289.375 2.472 20 30 CEEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CC(C)(C)C#N ZINC000433313803 377786886 /nfs/dbraw/zinc/78/68/86/377786886.db2.gz RVLYVRZTVHYHAQ-MCIONIFRSA-N 1 2 279.428 2.361 20 30 CEEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433313803 377786894 /nfs/dbraw/zinc/78/68/94/377786894.db2.gz RVLYVRZTVHYHAQ-MCIONIFRSA-N 1 2 279.428 2.361 20 30 CEEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433323092 377789833 /nfs/dbraw/zinc/78/98/33/377789833.db2.gz UJJYQGUHAJVXCP-GFCCVEGCSA-N 1 2 291.370 2.312 20 30 CEEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433323092 377789836 /nfs/dbraw/zinc/78/98/36/377789836.db2.gz UJJYQGUHAJVXCP-GFCCVEGCSA-N 1 2 291.370 2.312 20 30 CEEDLO N#C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000437592231 377854910 /nfs/dbraw/zinc/85/49/10/377854910.db2.gz QXVDVPGXZDNYNX-QZTJIDSGSA-N 1 2 299.418 2.123 20 30 CEEDLO N#C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000437592231 377854920 /nfs/dbraw/zinc/85/49/20/377854920.db2.gz QXVDVPGXZDNYNX-QZTJIDSGSA-N 1 2 299.418 2.123 20 30 CEEDLO C/C=C/C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OCC ZINC000443065832 378033850 /nfs/dbraw/zinc/03/38/50/378033850.db2.gz GIAZTXSNOHQBPJ-HHPMJQAUSA-N 1 2 250.342 2.166 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCCCC1 ZINC000448913147 378192072 /nfs/dbraw/zinc/19/20/72/378192072.db2.gz RXEWPZIXQWQMAK-HNNXBMFYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCCCC1 ZINC000448913147 378192077 /nfs/dbraw/zinc/19/20/77/378192077.db2.gz RXEWPZIXQWQMAK-HNNXBMFYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC[C@H]([NH2+]CC1(OC)CCCC1)C(=O)OCC ZINC000449657800 378218816 /nfs/dbraw/zinc/21/88/16/378218816.db2.gz QVAOSDTYHWXICZ-ZDUSSCGKSA-N 1 2 269.385 2.433 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2cscn2)c1 ZINC000295591547 378226900 /nfs/dbraw/zinc/22/69/00/378226900.db2.gz SXIONHMMTBUECV-UHFFFAOYSA-N 1 2 299.399 2.237 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2cscn2)c1 ZINC000295591547 378226907 /nfs/dbraw/zinc/22/69/07/378226907.db2.gz SXIONHMMTBUECV-UHFFFAOYSA-N 1 2 299.399 2.237 20 30 CEEDLO C=CCC(C)(C)CNC(=O)NCc1[nH+]ccn1CC ZINC000297141030 378666211 /nfs/dbraw/zinc/66/62/11/378666211.db2.gz QIKPEAGQKNCQNL-UHFFFAOYSA-N 1 2 264.373 2.305 20 30 CEEDLO C=CCCO[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266168781 190236668 /nfs/dbraw/zinc/23/66/68/190236668.db2.gz SPKJRIVYQWANRG-LLVKDONJSA-N 1 2 259.309 2.254 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1F ZINC000300240761 379157366 /nfs/dbraw/zinc/15/73/66/379157366.db2.gz WGRRCJJWZBUTKY-ZIAGYGMSSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1F ZINC000300240761 379157371 /nfs/dbraw/zinc/15/73/71/379157371.db2.gz WGRRCJJWZBUTKY-ZIAGYGMSSA-N 1 2 260.312 2.451 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000514856209 379156527 /nfs/dbraw/zinc/15/65/27/379156527.db2.gz VSZVAIXASFYEMN-INIZCTEOSA-N 1 2 293.374 2.465 20 30 CEEDLO Cc1oc(C(C)C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000516071585 379256345 /nfs/dbraw/zinc/25/63/45/379256345.db2.gz MLPPRRCQFPSPML-HNNXBMFYSA-N 1 2 277.368 2.285 20 30 CEEDLO C=CCNC(=O)CNc1[nH+]c2ccccc2cc1C ZINC000302064674 379318675 /nfs/dbraw/zinc/31/86/75/379318675.db2.gz UAOCLVDVJQPCBH-UHFFFAOYSA-N 1 2 255.321 2.257 20 30 CEEDLO C=CC[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266814987 190282150 /nfs/dbraw/zinc/28/21/50/190282150.db2.gz DNYUUQUHTODDNE-AWEZNQCLSA-N 1 2 288.391 2.213 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000266892950 190288090 /nfs/dbraw/zinc/28/80/90/190288090.db2.gz DMIXRZOXHLTTBM-SNVBAGLBSA-N 1 2 265.382 2.042 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000266892950 190288091 /nfs/dbraw/zinc/28/80/91/190288091.db2.gz DMIXRZOXHLTTBM-SNVBAGLBSA-N 1 2 265.382 2.042 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000266963164 190293708 /nfs/dbraw/zinc/29/37/08/190293708.db2.gz XNBCJCKAHVSOPL-HNNXBMFYSA-N 1 2 274.339 2.101 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000266963164 190293709 /nfs/dbraw/zinc/29/37/09/190293709.db2.gz XNBCJCKAHVSOPL-HNNXBMFYSA-N 1 2 274.339 2.101 20 30 CEEDLO N#Cc1csc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267754282 190352748 /nfs/dbraw/zinc/35/27/48/190352748.db2.gz PVMOZPOVKXPSKL-UHFFFAOYSA-N 1 2 286.360 2.363 20 30 CEEDLO CCC[C@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530277980 380200241 /nfs/dbraw/zinc/20/02/41/380200241.db2.gz KGUKPIQYWJIIQU-VXGBXAGGSA-N 1 2 288.395 2.446 20 30 CEEDLO CCC[C@H](C#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530277980 380200244 /nfs/dbraw/zinc/20/02/44/380200244.db2.gz KGUKPIQYWJIIQU-VXGBXAGGSA-N 1 2 288.395 2.446 20 30 CEEDLO N#CCCN(CC1CC1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540037241 380250967 /nfs/dbraw/zinc/25/09/67/380250967.db2.gz ZZHNTXKZVYTQPU-UHFFFAOYSA-N 1 2 295.346 2.033 20 30 CEEDLO Cc1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c(C)c[nH+]1 ZINC000536619603 380227560 /nfs/dbraw/zinc/22/75/60/380227560.db2.gz PZTHMDKKXUXKJZ-JTQLQIEISA-N 1 2 272.352 2.276 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000334408612 380369346 /nfs/dbraw/zinc/36/93/46/380369346.db2.gz LQNSRAUGGUWNHB-UHFFFAOYSA-N 1 2 292.342 2.494 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000547971819 380480209 /nfs/dbraw/zinc/48/02/09/380480209.db2.gz IFUYPXLYODVRPT-SNVBAGLBSA-N 1 2 288.738 2.227 20 30 CEEDLO CC1(C#N)CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000493155845 380822064 /nfs/dbraw/zinc/82/20/64/380822064.db2.gz NBISKKNZZLOZEP-QPJJXVBHSA-N 1 2 292.342 2.258 20 30 CEEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000493220488 380857616 /nfs/dbraw/zinc/85/76/16/380857616.db2.gz NQHBAWLFXFDDDJ-URWSZGRFSA-N 1 2 286.722 2.457 20 30 CEEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000495772374 381186116 /nfs/dbraw/zinc/18/61/16/381186116.db2.gz YAKATZYMIAKTAE-CYBMUJFWSA-N 1 2 279.384 2.233 20 30 CEEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000495772374 381186122 /nfs/dbraw/zinc/18/61/22/381186122.db2.gz YAKATZYMIAKTAE-CYBMUJFWSA-N 1 2 279.384 2.233 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1cccc(CC#N)c1 ZINC000353849484 533090152 /nfs/dbraw/zinc/09/01/52/533090152.db2.gz TVBNCKLHKUZVCJ-UHFFFAOYSA-N 1 2 267.288 2.409 20 30 CEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1F ZINC000281235244 195160666 /nfs/dbraw/zinc/16/06/66/195160666.db2.gz LIMNHSMMHGULCU-LLVKDONJSA-N 1 2 278.327 2.471 20 30 CEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1F ZINC000281235244 195160668 /nfs/dbraw/zinc/16/06/68/195160668.db2.gz LIMNHSMMHGULCU-LLVKDONJSA-N 1 2 278.327 2.471 20 30 CEEDLO C[C@H](C#N)S(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000088485836 135054725 /nfs/dbraw/zinc/05/47/25/135054725.db2.gz FYSQFPZJVATQOD-GFCCVEGCSA-N 1 2 293.392 2.331 20 30 CEEDLO N#Cc1cnc(Nc2ccc(N3CCOCC3)[nH+]c2)c(F)c1 ZINC000413031347 394468447 /nfs/dbraw/zinc/46/84/47/394468447.db2.gz GCJGXKZQVDFDFQ-UHFFFAOYSA-N 1 2 299.309 2.068 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1ncnn1CC ZINC000355598562 394472470 /nfs/dbraw/zinc/47/24/70/394472470.db2.gz ALNYCMQTYXALRY-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc(C#N)cc1F ZINC000413261693 394515340 /nfs/dbraw/zinc/51/53/40/394515340.db2.gz IZWPKOAJEXDOIF-UHFFFAOYSA-N 1 2 285.326 2.262 20 30 CEEDLO Cc1c([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cnn1C ZINC000328932885 394558127 /nfs/dbraw/zinc/55/81/27/394558127.db2.gz PJKNWZQORUWBEH-CMPLNLGQSA-N 1 2 287.367 2.205 20 30 CEEDLO CC[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CCO1 ZINC000329900537 394593361 /nfs/dbraw/zinc/59/33/61/394593361.db2.gz NVYZJYTUJODNHB-UONOGXRCSA-N 1 2 296.411 2.013 20 30 CEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@]12CCOC2 ZINC000329658348 394580233 /nfs/dbraw/zinc/58/02/33/394580233.db2.gz NJGHWCXNSAVTFJ-WWGRRREGSA-N 1 2 287.363 2.043 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329799417 394586380 /nfs/dbraw/zinc/58/63/80/394586380.db2.gz HKDWBUQBKAZQJO-YNEHKIRRSA-N 1 2 276.384 2.393 20 30 CEEDLO CC1CCC(CNC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329831329 394588419 /nfs/dbraw/zinc/58/84/19/394588419.db2.gz KBSSZHIRWAIDRV-UHFFFAOYSA-N 1 2 276.384 2.439 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CC(F)(F)F ZINC000330377882 394602527 /nfs/dbraw/zinc/60/25/27/394602527.db2.gz QPVHDEQBZJRWFF-UHFFFAOYSA-N 1 2 292.305 2.447 20 30 CEEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000265362827 394648367 /nfs/dbraw/zinc/64/83/67/394648367.db2.gz MLRZUOBHMUFHIN-SUMWQHHRSA-N 1 2 296.374 2.465 20 30 CEEDLO N#CCCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000334328372 394675200 /nfs/dbraw/zinc/67/52/00/394675200.db2.gz IBWSPHRIJOYDDJ-UHFFFAOYSA-N 1 2 252.321 2.144 20 30 CEEDLO COc1ccccc1CO[NH+]=C(N)Cc1csc(C)n1 ZINC000268326986 394692783 /nfs/dbraw/zinc/69/27/83/394692783.db2.gz ABISMLSIHZPMON-UHFFFAOYSA-N 1 2 291.376 2.492 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268540970 394696942 /nfs/dbraw/zinc/69/69/42/394696942.db2.gz LASONCHLMAUOHH-ZDUSSCGKSA-N 1 2 287.363 2.143 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268540970 394696943 /nfs/dbraw/zinc/69/69/43/394696943.db2.gz LASONCHLMAUOHH-ZDUSSCGKSA-N 1 2 287.363 2.143 20 30 CEEDLO N#Cc1ccc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000105569450 394722038 /nfs/dbraw/zinc/72/20/38/394722038.db2.gz LWKAYDIIILRDGH-CQSZACIVSA-N 1 2 291.782 2.123 20 30 CEEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)o2)c2ccccc2C1 ZINC000334965931 394723485 /nfs/dbraw/zinc/72/34/85/394723485.db2.gz KTISPDFXUZKULY-UHFFFAOYSA-N 1 2 281.315 2.243 20 30 CEEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)o2)c2ccccc2C1 ZINC000334965931 394723491 /nfs/dbraw/zinc/72/34/91/394723491.db2.gz KTISPDFXUZKULY-UHFFFAOYSA-N 1 2 281.315 2.243 20 30 CEEDLO C=CCO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000269988018 394725062 /nfs/dbraw/zinc/72/50/62/394725062.db2.gz SWTXCLLQMUXHAY-UHFFFAOYSA-N 1 2 270.716 2.180 20 30 CEEDLO CC(C)(C#N)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000359634746 394767317 /nfs/dbraw/zinc/76/73/17/394767317.db2.gz LOCIXUOETNWKLX-UHFFFAOYSA-N 1 2 282.347 2.211 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000335698196 394789888 /nfs/dbraw/zinc/78/98/88/394789888.db2.gz KOZWYTZRARKRPZ-JKSUJKDBSA-N 1 2 259.324 2.431 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000335698196 394789889 /nfs/dbraw/zinc/78/98/89/394789889.db2.gz KOZWYTZRARKRPZ-JKSUJKDBSA-N 1 2 259.324 2.431 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000121507288 394800051 /nfs/dbraw/zinc/80/00/51/394800051.db2.gz UHWVVFJJDUMNEW-UHFFFAOYSA-N 1 2 275.377 2.359 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000121507288 394800054 /nfs/dbraw/zinc/80/00/54/394800054.db2.gz UHWVVFJJDUMNEW-UHFFFAOYSA-N 1 2 275.377 2.359 20 30 CEEDLO C=CCOC[C@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OC ZINC000361115167 394816921 /nfs/dbraw/zinc/81/69/21/394816921.db2.gz WLBGCQJFAGNEIL-ZDUSSCGKSA-N 1 2 267.369 2.043 20 30 CEEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[S@](=O)C1 ZINC000277450804 394821796 /nfs/dbraw/zinc/82/17/96/394821796.db2.gz LVYILRWTWOKWOF-YJYMSZOUSA-N 1 2 295.835 2.392 20 30 CEEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[S@](=O)C1 ZINC000277450804 394821798 /nfs/dbraw/zinc/82/17/98/394821798.db2.gz LVYILRWTWOKWOF-YJYMSZOUSA-N 1 2 295.835 2.392 20 30 CEEDLO 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C=C[C@@H](C)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000362659047 267030343 /nfs/dbraw/zinc/03/03/43/267030343.db2.gz SHHIFSXIOPJRAU-LLVKDONJSA-N 1 2 272.352 2.218 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCc3ncnc(N(C)C)c3C2)cc1 ZINC000368025110 267136853 /nfs/dbraw/zinc/13/68/53/267136853.db2.gz VIJOVGFEMVXQRY-UHFFFAOYSA-N 1 2 292.386 2.082 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCc3ncnc(N(C)C)c3C2)cc1 ZINC000368025110 267136854 /nfs/dbraw/zinc/13/68/54/267136854.db2.gz VIJOVGFEMVXQRY-UHFFFAOYSA-N 1 2 292.386 2.082 20 30 CEEDLO C#Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000368031571 267139256 /nfs/dbraw/zinc/13/92/56/267139256.db2.gz UUTSSRACOVVPNQ-MRXNPFEDSA-N 1 2 297.379 2.286 20 30 CEEDLO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(F)F ZINC000449357148 267195599 /nfs/dbraw/zinc/19/55/99/267195599.db2.gz BTGHQVXLQJZYJM-LLVKDONJSA-N 1 2 264.279 2.339 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)c1ccccc1C#N ZINC000492412529 267255765 /nfs/dbraw/zinc/25/57/65/267255765.db2.gz VQZDMFWFRDYEKN-CMDGGOBGSA-N 1 2 280.331 2.451 20 30 CEEDLO C#CC[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000370202803 267298482 /nfs/dbraw/zinc/29/84/82/267298482.db2.gz CSSKWSOYSQVAEC-NWDGAFQWSA-N 1 2 260.341 2.058 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443442196 267324486 /nfs/dbraw/zinc/32/44/86/267324486.db2.gz WLMFXTIYKRAGJO-UHFFFAOYSA-N 1 2 295.268 2.342 20 30 CEEDLO N#Cc1c2c(cnc1N1CCC(n3cc[nH+]c3)CC1)CCC2 ZINC000514598262 268168760 /nfs/dbraw/zinc/16/87/60/268168760.db2.gz OPHFNPKVPMMEGH-UHFFFAOYSA-N 1 2 293.374 2.480 20 30 CEEDLO CCc1cnc(CCNc2cc(C)[nH+]cc2C#N)s1 ZINC000425225078 271141542 /nfs/dbraw/zinc/14/15/42/271141542.db2.gz FTJTUBJCCHTVCK-UHFFFAOYSA-N 1 2 272.377 2.357 20 30 CEEDLO CCc1noc(CC)c1CNc1cc(C)[nH+]cc1C#N ZINC000425240794 271144918 /nfs/dbraw/zinc/14/49/18/271144918.db2.gz PJWRUGPKCCCRTN-UHFFFAOYSA-N 1 2 270.336 2.409 20 30 CEEDLO Cc1cc(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425263830 271148686 /nfs/dbraw/zinc/14/86/86/271148686.db2.gz VGPHULZVJWVHGZ-GWCFXTLKSA-N 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/nfs/dbraw/zinc/21/14/95/314211495.db2.gz KYEIWBQNZQKOKZ-UHFFFAOYSA-N 1 2 281.306 2.240 20 30 CEEDLO CC#CCCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891755 649864772 /nfs/dbraw/zinc/86/47/72/649864772.db2.gz TYRHYTNZKHPTLS-MRXNPFEDSA-N 1 2 288.366 2.492 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000364735534 327889954 /nfs/dbraw/zinc/88/99/54/327889954.db2.gz BUQDCSSGRUNIIR-CYBMUJFWSA-N 1 2 277.368 2.066 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccccc1 ZINC000563367165 328059839 /nfs/dbraw/zinc/05/98/39/328059839.db2.gz UJWSPCZQEGNRAA-OCCSQVGLSA-N 1 2 259.353 2.146 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000571634799 328151014 /nfs/dbraw/zinc/15/10/14/328151014.db2.gz BWRBQTUZLTVBPF-GDLCADMTSA-N 1 2 285.326 2.315 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)CSCc1ccccc1 ZINC000414097048 328152531 /nfs/dbraw/zinc/15/25/31/328152531.db2.gz MXEHCQUQWMBZQL-AWEZNQCLSA-N 1 2 264.394 2.126 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)CSCc1ccccc1 ZINC000414097048 328152533 /nfs/dbraw/zinc/15/25/33/328152533.db2.gz MXEHCQUQWMBZQL-AWEZNQCLSA-N 1 2 264.394 2.126 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc2c1OCCO2 ZINC000271137979 328195373 /nfs/dbraw/zinc/19/53/73/328195373.db2.gz SVKQECBBGBNXFR-LLVKDONJSA-N 1 2 276.336 2.058 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc2c1OCCO2 ZINC000271137979 328195375 /nfs/dbraw/zinc/19/53/75/328195375.db2.gz SVKQECBBGBNXFR-LLVKDONJSA-N 1 2 276.336 2.058 20 30 CEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271837835 328197841 /nfs/dbraw/zinc/19/78/41/328197841.db2.gz YAVNYEWVGBIQRG-NSHDSACASA-N 1 2 295.333 2.378 20 30 CEEDLO Cc1ccc(Cc2noc(CSCC#N)n2)c[nH+]1 ZINC000273893295 328207209 /nfs/dbraw/zinc/20/72/09/328207209.db2.gz IKKPXSYLADMBDZ-UHFFFAOYSA-N 1 2 260.322 2.121 20 30 CEEDLO N#CCCCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000291837382 328266647 /nfs/dbraw/zinc/26/66/47/328266647.db2.gz FGLAHOHUPLBZTF-UHFFFAOYSA-N 1 2 296.374 2.436 20 30 CEEDLO C=CCN(C/C=C/C[N@@H+](CC=C)CCC#N)CCC#N ZINC000292176550 328268386 /nfs/dbraw/zinc/26/83/86/328268386.db2.gz MEJMNCKSELXTCE-AATRIKPKSA-N 1 2 272.396 2.346 20 30 CEEDLO C=CCN(C/C=C/C[N@H+](CC=C)CCC#N)CCC#N ZINC000292176550 328268388 /nfs/dbraw/zinc/26/83/88/328268388.db2.gz MEJMNCKSELXTCE-AATRIKPKSA-N 1 2 272.396 2.346 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+](CC)CCC#N)[nH]c1C ZINC000294591390 328281736 /nfs/dbraw/zinc/28/17/36/328281736.db2.gz SAWYQEOZWHXYGG-UHFFFAOYSA-N 1 2 263.341 2.235 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+](CC)CCC#N)[nH]c1C ZINC000294591390 328281737 /nfs/dbraw/zinc/28/17/37/328281737.db2.gz SAWYQEOZWHXYGG-UHFFFAOYSA-N 1 2 263.341 2.235 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000530640244 326883530 /nfs/dbraw/zinc/88/35/30/326883530.db2.gz UMFOWNKCVSTGOA-LBPRGKRZSA-N 1 2 270.336 2.153 20 30 CEEDLO C=CCN(CCC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000557397325 327004435 /nfs/dbraw/zinc/00/44/35/327004435.db2.gz APVBLXOJSVPZRO-UHFFFAOYSA-N 1 2 282.347 2.114 20 30 CEEDLO CN(C)C(=O)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000564445138 327077900 /nfs/dbraw/zinc/07/79/00/327077900.db2.gz ZEKPHKWZPZJDOF-ZBFHGGJFSA-N 1 2 298.390 2.239 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccccc1OC ZINC000573104884 327095034 /nfs/dbraw/zinc/09/50/34/327095034.db2.gz GZVLCWXHADPSSW-QWHCGFSZSA-N 1 2 289.379 2.154 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000577409511 327260653 /nfs/dbraw/zinc/26/06/53/327260653.db2.gz ZISCAOAEADZLFY-CQSZACIVSA-N 1 2 293.798 2.281 20 30 CEEDLO C=CCCCC[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000560249420 327293577 /nfs/dbraw/zinc/29/35/77/327293577.db2.gz GPQZUJSBLNEKDT-UHFFFAOYSA-N 1 2 264.291 2.049 20 30 CEEDLO C=CCCCC[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000560249420 327293578 /nfs/dbraw/zinc/29/35/78/327293578.db2.gz GPQZUJSBLNEKDT-UHFFFAOYSA-N 1 2 264.291 2.049 20 30 CEEDLO CSCc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000566309862 327299911 /nfs/dbraw/zinc/29/99/11/327299911.db2.gz VSMBEAIARGJWJF-OAHLLOKOSA-N 1 2 291.420 2.123 20 30 CEEDLO C=CCCCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000547440494 328674812 /nfs/dbraw/zinc/67/48/12/328674812.db2.gz HZJLLEBMCHHUPN-UHFFFAOYSA-N 1 2 264.373 2.319 20 30 CEEDLO C=C(C)C[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC000532706014 328806246 /nfs/dbraw/zinc/80/62/46/328806246.db2.gz LJOZZKLABXUSPS-UHFFFAOYSA-N 1 2 259.349 2.253 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OCC ZINC000172168122 329081808 /nfs/dbraw/zinc/08/18/08/329081808.db2.gz DPSUXOQSAURGTF-CYBMUJFWSA-N 1 2 276.380 2.208 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OCC ZINC000172168122 329081810 /nfs/dbraw/zinc/08/18/10/329081810.db2.gz DPSUXOQSAURGTF-CYBMUJFWSA-N 1 2 276.380 2.208 20 30 CEEDLO CC#CC[NH+]1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000172717939 329138352 /nfs/dbraw/zinc/13/83/52/329138352.db2.gz DHVGNXJPGJLTCW-UHFFFAOYSA-N 1 2 272.392 2.226 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000582760153 329150478 /nfs/dbraw/zinc/15/04/78/329150478.db2.gz PZAUBRPKPZRURT-MRXNPFEDSA-N 1 2 288.395 2.331 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](COC)C2)c1 ZINC000179801431 329212394 /nfs/dbraw/zinc/21/23/94/329212394.db2.gz AAEAAGDEQMCEKN-INIZCTEOSA-N 1 2 277.364 2.099 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](COC)C2)c1 ZINC000179801431 329212395 /nfs/dbraw/zinc/21/23/95/329212395.db2.gz AAEAAGDEQMCEKN-INIZCTEOSA-N 1 2 277.364 2.099 20 30 CEEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000184734024 329261148 /nfs/dbraw/zinc/26/11/48/329261148.db2.gz NWBMIBXVIQXTSX-OAHLLOKOSA-N 1 2 274.339 2.020 20 30 CEEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000184734024 329261149 /nfs/dbraw/zinc/26/11/49/329261149.db2.gz NWBMIBXVIQXTSX-OAHLLOKOSA-N 1 2 274.339 2.020 20 30 CEEDLO CC(C)C[C@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582849863 329279870 /nfs/dbraw/zinc/27/98/70/329279870.db2.gz ZUJMPZGSKAJXSJ-GXTWGEPZSA-N 1 2 262.357 2.279 20 30 CEEDLO C=CCN(CCOC)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000191974396 329426977 /nfs/dbraw/zinc/42/69/77/329426977.db2.gz SJSXBXJCUMBHLE-UHFFFAOYSA-N 1 2 287.363 2.006 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cnc(C3CCC3)s2)nn1 ZINC000424174754 330314509 /nfs/dbraw/zinc/31/45/09/330314509.db2.gz SGFOIZGJSCDLPH-UHFFFAOYSA-N 1 2 289.408 2.478 20 30 CEEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000448628490 330744937 /nfs/dbraw/zinc/74/49/37/330744937.db2.gz ASSZSYXQTRFYLW-SUMWQHHRSA-N 1 2 294.358 2.097 20 30 CEEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000449845974 330951966 /nfs/dbraw/zinc/95/19/66/330951966.db2.gz UNWURBTXVDPDFP-LSDHHAIUSA-N 1 2 294.439 2.348 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000450802559 331000300 /nfs/dbraw/zinc/00/03/00/331000300.db2.gz HZCPCNNBMFLXOD-CABCVRRESA-N 1 2 255.321 2.197 20 30 CEEDLO C=CC[C@@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455503106 331171151 /nfs/dbraw/zinc/17/11/51/331171151.db2.gz VPSDPTFQZMAYJQ-LBPRGKRZSA-N 1 2 263.341 2.065 20 30 CEEDLO CC#CCN(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457774486 331234028 /nfs/dbraw/zinc/23/40/28/331234028.db2.gz MBQIDOPBOOUTPL-UHFFFAOYSA-N 1 2 296.374 2.096 20 30 CEEDLO C=CCN(CCOC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459084566 331269793 /nfs/dbraw/zinc/26/97/93/331269793.db2.gz URDKJYCDSNBNCR-UHFFFAOYSA-N 1 2 277.368 2.042 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491351838 332195490 /nfs/dbraw/zinc/19/54/90/332195490.db2.gz VXBSIBJPULHDHJ-CYBMUJFWSA-N 1 2 282.347 2.035 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491615044 332242768 /nfs/dbraw/zinc/24/27/68/332242768.db2.gz AJVMDTXBUNPEOE-INIZCTEOSA-N 1 2 281.359 2.463 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491642213 332261525 /nfs/dbraw/zinc/26/15/25/332261525.db2.gz AHIRIYGILYMPBJ-ZDUSSCGKSA-N 1 2 299.349 2.389 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491642213 332261527 /nfs/dbraw/zinc/26/15/27/332261527.db2.gz AHIRIYGILYMPBJ-ZDUSSCGKSA-N 1 2 299.349 2.389 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cc(C)nn1C)c1ccc(F)cc1 ZINC000491701100 332295459 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332323634 /nfs/dbraw/zinc/32/36/34/332323634.db2.gz ODQGWNLYLPYVQB-LLVKDONJSA-N 1 2 274.755 2.374 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000491747255 332324557 /nfs/dbraw/zinc/32/45/57/332324557.db2.gz CJROTLXUMZKLCA-ZDUSSCGKSA-N 1 2 276.384 2.140 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000491790279 332352314 /nfs/dbraw/zinc/35/23/14/332352314.db2.gz YGLUIMPHHHGYBI-INIZCTEOSA-N 1 2 299.370 2.452 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000491790279 332352315 /nfs/dbraw/zinc/35/23/15/332352315.db2.gz YGLUIMPHHHGYBI-INIZCTEOSA-N 1 2 299.370 2.452 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000491792080 332352849 /nfs/dbraw/zinc/35/28/49/332352849.db2.gz DDJZNLZATSSPMJ-AWEZNQCLSA-N 1 2 296.374 2.095 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000491792831 332353142 /nfs/dbraw/zinc/35/31/42/332353142.db2.gz HPAMSDDXDYYYOB-XHDPSFHLSA-N 1 2 285.322 2.218 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000491792831 332353145 /nfs/dbraw/zinc/35/31/45/332353145.db2.gz HPAMSDDXDYYYOB-XHDPSFHLSA-N 1 2 285.322 2.218 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(F)cc1 ZINC000491819814 332369769 /nfs/dbraw/zinc/36/97/69/332369769.db2.gz PBPXDDFAAYCLQQ-HNNXBMFYSA-N 1 2 299.349 2.320 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000491851793 332372231 /nfs/dbraw/zinc/37/22/31/332372231.db2.gz NKZIOPKNIDMDKD-ZDUSSCGKSA-N 1 2 262.357 2.023 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000174692131 333005854 /nfs/dbraw/zinc/00/58/54/333005854.db2.gz XNNDCVIJAKXYBX-ZIAGYGMSSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000174692131 333005855 /nfs/dbraw/zinc/00/58/55/333005855.db2.gz XNNDCVIJAKXYBX-ZIAGYGMSSA-N 1 2 277.412 2.402 20 30 CEEDLO C#CC[N@@H+](Cc1c(Cl)cnn1C)C1CCCC1 ZINC000187413548 333170546 /nfs/dbraw/zinc/17/05/46/333170546.db2.gz 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COc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1C#N ZINC000282500554 522388225 /nfs/dbraw/zinc/38/82/25/522388225.db2.gz YCRRIEKDJFOQEP-NEPJUHHUSA-N 1 2 260.337 2.176 20 30 CEEDLO C=C(C)COCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353674550 526648279 /nfs/dbraw/zinc/64/82/79/526648279.db2.gz FTLIONHRMRGIID-UHFFFAOYSA-N 1 2 274.324 2.049 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000336102094 527445711 /nfs/dbraw/zinc/44/57/11/527445711.db2.gz XOWCLQTYOPCARL-CYBMUJFWSA-N 1 2 287.363 2.204 20 30 CEEDLO CC(C)C1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330191684 527597571 /nfs/dbraw/zinc/59/75/71/527597571.db2.gz NGWDWCZGAPBWRB-LBPRGKRZSA-N 1 2 276.384 2.138 20 30 CEEDLO CC(C)C1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330191684 527597578 /nfs/dbraw/zinc/59/75/78/527597578.db2.gz NGWDWCZGAPBWRB-LBPRGKRZSA-N 1 2 276.384 2.138 20 30 CEEDLO C=C[C@](C)(O)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000352151006 527640354 /nfs/dbraw/zinc/64/03/54/527640354.db2.gz ZLVQWRZDTJLDAM-AWEZNQCLSA-N 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/nfs/dbraw/zinc/91/73/12/574917312.db2.gz UGQDELQQTURNAE-UHFFFAOYSA-N 1 2 298.394 2.445 20 30 CEEDLO FC(F)(F)c1cccc(N=NCc2[nH]cc[nH+]2)n1 ZINC000739422780 574917712 /nfs/dbraw/zinc/91/77/12/574917712.db2.gz YDHUSZFVICCRNA-UHFFFAOYSA-N 1 2 255.203 2.270 20 30 CEEDLO COC(=O)[C@H]([NH2+]C[C@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000739997543 574938575 /nfs/dbraw/zinc/93/85/75/574938575.db2.gz YTAHQTTTYHYGTR-XHDPSFHLSA-N 1 2 272.348 2.408 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000741216129 574978784 /nfs/dbraw/zinc/97/87/84/574978784.db2.gz ACJWNFBZYMVRLH-LBPRGKRZSA-N 1 2 282.265 2.140 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000741216129 574978785 /nfs/dbraw/zinc/97/87/85/574978785.db2.gz ACJWNFBZYMVRLH-LBPRGKRZSA-N 1 2 282.265 2.140 20 30 CEEDLO N#Cc1ccc(SCC[NH+]2CCOCC2)c(F)c1 ZINC000741860886 575000812 /nfs/dbraw/zinc/00/08/12/575000812.db2.gz QPOZAPPWUQFHAJ-UHFFFAOYSA-N 1 2 266.341 2.122 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ncc(C(C)C)s1 ZINC000742125966 575007211 /nfs/dbraw/zinc/00/72/11/575007211.db2.gz MQCCXERYSNAVSJ-NSHDSACASA-N 1 2 277.393 2.303 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ncc(C(C)C)s1 ZINC000742125966 575007213 /nfs/dbraw/zinc/00/72/13/575007213.db2.gz MQCCXERYSNAVSJ-NSHDSACASA-N 1 2 277.393 2.303 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc([C@@H](C)CCC)[nH]n1 ZINC000743627421 575107609 /nfs/dbraw/zinc/10/76/09/575107609.db2.gz DXCJJEOEOUONOX-JSGCOSHPSA-N 1 2 288.395 2.349 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc([C@@H](C)CCC)[nH]n1 ZINC000743627421 575107610 /nfs/dbraw/zinc/10/76/10/575107610.db2.gz DXCJJEOEOUONOX-JSGCOSHPSA-N 1 2 288.395 2.349 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CCCC)c1C ZINC000746192816 575151563 /nfs/dbraw/zinc/15/15/63/575151563.db2.gz ROBJAHYBVSNRGA-HNNXBMFYSA-N 1 2 288.395 2.028 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CCCC)c1C ZINC000746192816 575151565 /nfs/dbraw/zinc/15/15/65/575151565.db2.gz ROBJAHYBVSNRGA-HNNXBMFYSA-N 1 2 288.395 2.028 20 30 CEEDLO NC(=[NH+]OC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000747827682 575175543 /nfs/dbraw/zinc/17/55/43/575175543.db2.gz NVMUBDIFPNCVLU-VIFPVBQESA-N 1 2 254.717 2.013 20 30 CEEDLO N#Cc1ccc(OC(=O)CCCn2cc[nH+]c2)cc1 ZINC000748598768 575190667 /nfs/dbraw/zinc/19/06/67/575190667.db2.gz RJLVPJUXUHKXQM-UHFFFAOYSA-N 1 2 255.277 2.141 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCNC(=O)C(C)(C)C)c(O)c1 ZINC000749452577 575220186 /nfs/dbraw/zinc/22/01/86/575220186.db2.gz PDLXHJAFRZJJPP-GZTJUZNOSA-N 1 2 292.379 2.372 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000750826459 575276178 /nfs/dbraw/zinc/27/61/78/575276178.db2.gz LXDKOMCZZRVIRI-UHFFFAOYSA-N 1 2 273.307 2.192 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000750826459 575276181 /nfs/dbraw/zinc/27/61/81/575276181.db2.gz LXDKOMCZZRVIRI-UHFFFAOYSA-N 1 2 273.307 2.192 20 30 CEEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2c(C)cc(N)cc2C)n1 ZINC000752713283 575313559 /nfs/dbraw/zinc/31/35/59/575313559.db2.gz LHEGINOSSAYPPS-UHFFFAOYSA-N 1 2 271.324 2.136 20 30 CEEDLO C=CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000753729742 575338045 /nfs/dbraw/zinc/33/80/45/575338045.db2.gz HNXUNUWKHSSGCH-CQSZACIVSA-N 1 2 288.395 2.266 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cccc(C#N)c1 ZINC000820431408 599396156 /nfs/dbraw/zinc/39/61/56/599396156.db2.gz FHZASFJMQWRJSC-JTQLQIEISA-N 1 2 294.318 2.182 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC000957437735 612992017 /nfs/dbraw/zinc/99/20/17/612992017.db2.gz AIYZXDRPRFYVRW-UHFFFAOYSA-N 1 2 288.366 2.326 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2scnc2C(C)C)CC1 ZINC000982114147 613160410 /nfs/dbraw/zinc/16/04/10/613160410.db2.gz UJZKMYAJPCKVFH-UHFFFAOYSA-N 1 2 291.420 2.048 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2scnc2C(C)C)CC1 ZINC000982114147 613160413 /nfs/dbraw/zinc/16/04/13/613160413.db2.gz UJZKMYAJPCKVFH-UHFFFAOYSA-N 1 2 291.420 2.048 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000972074245 613243191 /nfs/dbraw/zinc/24/31/91/613243191.db2.gz YUECGIRSKWLHHH-AWEZNQCLSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000972074245 613243193 /nfs/dbraw/zinc/24/31/93/613243193.db2.gz YUECGIRSKWLHHH-AWEZNQCLSA-N 1 2 291.395 2.310 20 30 CEEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614804 613254315 /nfs/dbraw/zinc/25/43/15/613254315.db2.gz NRMUWBVVFAQERS-WDEREUQCSA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614804 613254317 /nfs/dbraw/zinc/25/43/17/613254317.db2.gz NRMUWBVVFAQERS-WDEREUQCSA-N 1 2 296.823 2.475 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(C)c2)C1 ZINC000949961877 613297331 /nfs/dbraw/zinc/29/73/31/613297331.db2.gz ARDKCULPTHVUIV-UHFFFAOYSA-N 1 2 262.353 2.310 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2occ3c2CCC3)CC1 ZINC000949484589 613322146 /nfs/dbraw/zinc/32/21/46/613322146.db2.gz QIVVPIIPJJAZFQ-UHFFFAOYSA-N 1 2 274.364 2.102 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000957337383 613322212 /nfs/dbraw/zinc/32/22/12/613322212.db2.gz YMTDRQUBZIQMPS-UHFFFAOYSA-N 1 2 276.380 2.484 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc(C)c2)C1 ZINC000970602515 613371750 /nfs/dbraw/zinc/37/17/50/613371750.db2.gz QKQPHODEYBXJIJ-GFCCVEGCSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC2(F)F)C1 ZINC000969936465 613372262 /nfs/dbraw/zinc/37/22/62/613372262.db2.gz QBUKXMLXPIVUER-ONGXEEELSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnco1 ZINC000968971159 613372767 /nfs/dbraw/zinc/37/27/67/613372767.db2.gz HZSCSHRFOIUGGW-GFCCVEGCSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnco1 ZINC000968971159 613372768 /nfs/dbraw/zinc/37/27/68/613372768.db2.gz HZSCSHRFOIUGGW-GFCCVEGCSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000965901586 613377975 /nfs/dbraw/zinc/37/79/75/613377975.db2.gz VVIZJVGGEHDIQR-SMDDNHRTSA-N 1 2 295.814 2.218 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000965901586 613377976 /nfs/dbraw/zinc/37/79/76/613377976.db2.gz VVIZJVGGEHDIQR-SMDDNHRTSA-N 1 2 295.814 2.218 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)C(C)(C)C1 ZINC000975074626 613379802 /nfs/dbraw/zinc/37/98/02/613379802.db2.gz KDOUXCKBCHIZBM-VXGBXAGGSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CC3)C(C)(C)C1 ZINC000975074626 613379803 /nfs/dbraw/zinc/37/98/03/613379803.db2.gz KDOUXCKBCHIZBM-VXGBXAGGSA-N 1 2 282.815 2.366 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000957103210 613708718 /nfs/dbraw/zinc/70/87/18/613708718.db2.gz XOYSIOBWOAVWPN-HZPDHXFCSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cccc(OC)c2)CC1 ZINC000957791499 613712307 /nfs/dbraw/zinc/71/23/07/613712307.db2.gz NCMCNOODNUOKHE-CQSZACIVSA-N 1 2 288.391 2.129 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC000949586559 613715301 /nfs/dbraw/zinc/71/53/01/613715301.db2.gz IYURUJDGYAPTPO-UHFFFAOYSA-N 1 2 299.374 2.120 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2C(CC)CC)CC1 ZINC000948752393 613717727 /nfs/dbraw/zinc/71/77/27/613717727.db2.gz JHKCSKMSSZIWQB-UHFFFAOYSA-N 1 2 290.411 2.188 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000890658031 622761435 /nfs/dbraw/zinc/76/14/35/622761435.db2.gz ZDWMDFKNUIVJNR-MRXNPFEDSA-N 1 2 293.370 2.429 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933125624 623510422 /nfs/dbraw/zinc/51/04/22/623510422.db2.gz IBRRNZZFRIMHEB-RYUDHWBXSA-N 1 2 280.393 2.044 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933125624 623510428 /nfs/dbraw/zinc/51/04/28/623510428.db2.gz IBRRNZZFRIMHEB-RYUDHWBXSA-N 1 2 280.393 2.044 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cc1C#N ZINC000933545922 623812995 /nfs/dbraw/zinc/81/29/95/623812995.db2.gz WHBZHTRMEZFYTG-KRWDZBQOSA-N 1 2 296.374 2.174 20 30 CEEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccnn3C)C2)cc1C#N ZINC000933545922 623813002 /nfs/dbraw/zinc/81/30/02/623813002.db2.gz WHBZHTRMEZFYTG-KRWDZBQOSA-N 1 2 296.374 2.174 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC000933830052 624029671 /nfs/dbraw/zinc/02/96/71/624029671.db2.gz PAYDHRBNFZFBCG-OAHLLOKOSA-N 1 2 285.391 2.213 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC000933830052 624029689 /nfs/dbraw/zinc/02/96/89/624029689.db2.gz PAYDHRBNFZFBCG-OAHLLOKOSA-N 1 2 285.391 2.213 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3csc(C#N)c3)[C@H]2C1 ZINC000892239321 624444702 /nfs/dbraw/zinc/44/47/02/624444702.db2.gz JBQUHVOWUMAIFI-SNPRPXQTSA-N 1 2 292.404 2.388 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3csc(C#N)c3)[C@H]2C1 ZINC000892239321 624444703 /nfs/dbraw/zinc/44/47/03/624444703.db2.gz JBQUHVOWUMAIFI-SNPRPXQTSA-N 1 2 292.404 2.388 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000934464481 624514245 /nfs/dbraw/zinc/51/42/45/624514245.db2.gz OVSFQQNCBCWSIM-ZDUSSCGKSA-N 1 2 265.378 2.241 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000934464481 624514251 /nfs/dbraw/zinc/51/42/51/624514251.db2.gz OVSFQQNCBCWSIM-ZDUSSCGKSA-N 1 2 265.378 2.241 20 30 CEEDLO CC[C@H]([NH2+]C1CCN(OC)CC1)c1cccc(C#N)c1O ZINC000926605975 625258612 /nfs/dbraw/zinc/25/86/12/625258612.db2.gz GLVXKVDZNWLVRQ-HNNXBMFYSA-N 1 2 289.379 2.330 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O)C1CC1 ZINC000902210663 634527507 /nfs/dbraw/zinc/52/75/07/634527507.db2.gz OXJPLXRNAHYSLD-INIZCTEOSA-N 1 2 298.386 2.445 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O)C1CC1 ZINC000902210663 634527512 /nfs/dbraw/zinc/52/75/12/634527512.db2.gz OXJPLXRNAHYSLD-INIZCTEOSA-N 1 2 298.386 2.445 20 30 CEEDLO C=CC[N@@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902227810 634533875 /nfs/dbraw/zinc/53/38/75/634533875.db2.gz CMDUEGSTNRSYTD-UHFFFAOYSA-N 1 2 277.343 2.139 20 30 CEEDLO C=CC[N@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902227810 634533879 /nfs/dbraw/zinc/53/38/79/634533879.db2.gz CMDUEGSTNRSYTD-UHFFFAOYSA-N 1 2 277.343 2.139 20 30 CEEDLO CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(C#N)c1O ZINC000926784718 627360441 /nfs/dbraw/zinc/36/04/41/627360441.db2.gz XWTIIEJZMPYGSM-RYUDHWBXSA-N 1 2 284.306 2.321 20 30 CEEDLO NC(=[NH+]OCc1nccn1C(F)F)c1ccccc1 ZINC000172712813 627787549 /nfs/dbraw/zinc/78/75/49/627787549.db2.gz YRPBGMNOMAYGJJ-UHFFFAOYSA-N 1 2 266.251 2.115 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000930628014 628166053 /nfs/dbraw/zinc/16/60/53/628166053.db2.gz VWXYVIJAMMCWHG-ZDUSSCGKSA-N 1 2 257.337 2.140 20 30 CEEDLO C[C@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000186700141 628256534 /nfs/dbraw/zinc/25/65/34/628256534.db2.gz RPVOFZFDYXXMNG-SFHVURJKSA-N 1 2 297.402 2.370 20 30 CEEDLO C#CCCCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162455446 628301397 /nfs/dbraw/zinc/30/13/97/628301397.db2.gz SIFQUJLQTZQHGP-UHFFFAOYSA-N 1 2 274.368 2.381 20 30 CEEDLO C[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980657296 628796136 /nfs/dbraw/zinc/79/61/36/628796136.db2.gz QLTAWPUMTJGCDK-YOEHRIQHSA-N 1 2 297.402 2.249 20 30 CEEDLO C[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980657296 628796137 /nfs/dbraw/zinc/79/61/37/628796137.db2.gz QLTAWPUMTJGCDK-YOEHRIQHSA-N 1 2 297.402 2.249 20 30 CEEDLO CC[C@@H]([NH2+]Cc1cocn1)c1cccc(C#N)c1O ZINC000925870077 628969648 /nfs/dbraw/zinc/96/96/48/628969648.db2.gz UFFRBZIKAKRWDF-CYBMUJFWSA-N 1 2 257.293 2.493 20 30 CEEDLO C[C@@H](CC#N)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990566 629073915 /nfs/dbraw/zinc/07/39/15/629073915.db2.gz HVVDPENVRANKMQ-ZFWWWQNUSA-N 1 2 282.347 2.290 20 30 CEEDLO COC(=O)[C@H]1[C@H](C[N@H+](CCC#N)CCC(C)C)C1(F)F ZINC000894003837 629083724 /nfs/dbraw/zinc/08/37/24/629083724.db2.gz SSSXMNOKIOSLGQ-NWDGAFQWSA-N 1 2 288.338 2.302 20 30 CEEDLO COC(=O)[C@H]1[C@H](C[N@@H+](CCC#N)CCC(C)C)C1(F)F ZINC000894003837 629083728 /nfs/dbraw/zinc/08/37/28/629083728.db2.gz SSSXMNOKIOSLGQ-NWDGAFQWSA-N 1 2 288.338 2.302 20 30 CEEDLO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000894203566 629206958 /nfs/dbraw/zinc/20/69/58/629206958.db2.gz GGXQBZJAJMRHHC-LBPRGKRZSA-N 1 2 288.347 2.020 20 30 CEEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000925028541 629378979 /nfs/dbraw/zinc/37/89/79/629378979.db2.gz OVGDGYLUBBOYLV-GFCCVEGCSA-N 1 2 272.352 2.231 20 30 CEEDLO CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000925040576 629397909 /nfs/dbraw/zinc/39/79/09/629397909.db2.gz ODVKRSGCKWVDTF-ZBFHGGJFSA-N 1 2 274.364 2.466 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)cc1 ZINC000894574488 629540652 /nfs/dbraw/zinc/54/06/52/629540652.db2.gz HBUQKNPRWPSYQK-HNNXBMFYSA-N 1 2 275.302 2.456 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000880482192 629714720 /nfs/dbraw/zinc/71/47/20/629714720.db2.gz AAGVMHNAQAOMSO-UHFFFAOYSA-N 1 2 282.746 2.224 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@@H](C)C#N ZINC000796010847 629740807 /nfs/dbraw/zinc/74/08/07/629740807.db2.gz XBXXWYFXTJIFSI-ZETCQYMHSA-N 1 2 279.246 2.078 20 30 CEEDLO O=C1[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)CCCN1O ZINC000895166585 629990870 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N#C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC2CCC1CC2 ZINC000905046979 635787419 /nfs/dbraw/zinc/78/74/19/635787419.db2.gz VKKVBLMUDHGROG-XUJLQICISA-N 1 2 286.379 2.109 20 30 CEEDLO C#CC[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000826585775 635789968 /nfs/dbraw/zinc/78/99/68/635789968.db2.gz SWTXWWGJWWBDEX-LBPRGKRZSA-N 1 2 266.348 2.452 20 30 CEEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cn2c(n1)CCCC2 ZINC000905074864 635813580 /nfs/dbraw/zinc/81/35/80/635813580.db2.gz PXOSPPARXOWFKD-SREVYHEPSA-N 1 2 270.336 2.332 20 30 CEEDLO CC(=NNC(=S)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905426987 636275574 /nfs/dbraw/zinc/27/55/74/636275574.db2.gz GURXTPIVYINPBD-UHFFFAOYSA-N 1 2 299.403 2.223 20 30 CEEDLO C#CC[N@H+](CN1C(=O)C[C@@](C)(c2ccccc2)C1=O)C(C)C ZINC000905750172 636410761 /nfs/dbraw/zinc/41/07/61/636410761.db2.gz VBFBEAXJWRHTCJ-SFHVURJKSA-N 1 2 298.386 2.004 20 30 CEEDLO C#CC[N@@H+](CN1C(=O)C[C@@](C)(c2ccccc2)C1=O)C(C)C ZINC000905750172 636410770 /nfs/dbraw/zinc/41/07/70/636410770.db2.gz VBFBEAXJWRHTCJ-SFHVURJKSA-N 1 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282.145 2.112 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000518465018 379385992 /nfs/dbraw/zinc/38/59/92/379385992.db2.gz FBKQHMSYBDQTLH-CQSZACIVSA-N 1 2 276.384 2.413 20 30 CEEDLO CC#CCN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000266602348 190270492 /nfs/dbraw/zinc/27/04/92/190270492.db2.gz RLXMDBLLNHTJGU-UHFFFAOYSA-N 1 2 253.349 2.387 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000266902663 190289246 /nfs/dbraw/zinc/28/92/46/190289246.db2.gz GWGKORXJHDSRAW-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000266902663 190289247 /nfs/dbraw/zinc/28/92/47/190289247.db2.gz GWGKORXJHDSRAW-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000267338037 190321782 /nfs/dbraw/zinc/32/17/82/190321782.db2.gz RVAZLTFKLHGGDF-UHFFFAOYSA-N 1 2 266.304 2.063 20 30 CEEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000267338037 190321783 /nfs/dbraw/zinc/32/17/83/190321783.db2.gz 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C[C@H](C#N)C[N@@H+](CCNC(=O)OC(C)(C)C)C1CC1 ZINC000494135231 381154613 /nfs/dbraw/zinc/15/46/13/381154613.db2.gz SMWDTBWVSGIIHZ-LLVKDONJSA-N 1 2 267.373 2.135 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000574835488 335051688 /nfs/dbraw/zinc/05/16/88/335051688.db2.gz QWZXDZBSUNAEKN-CABCVRRESA-N 1 2 283.331 2.402 20 30 CEEDLO COc1cc[nH+]cc1CNc1n[nH]c(C2CC2)c1C#N ZINC000288553008 197110867 /nfs/dbraw/zinc/11/08/67/197110867.db2.gz IXEZAAYCMXALLU-UHFFFAOYSA-N 1 2 269.308 2.174 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccnc1 ZINC000154255352 533332894 /nfs/dbraw/zinc/33/28/94/533332894.db2.gz FPWHMVVTTVINMR-ZDUSSCGKSA-N 1 2 294.358 2.412 20 30 CEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1 ZINC000154255352 533332898 /nfs/dbraw/zinc/33/28/98/533332898.db2.gz FPWHMVVTTVINMR-ZDUSSCGKSA-N 1 2 294.358 2.412 20 30 CEEDLO CC[N@H+](CC[S@@](=O)c1ccccc1)C[C@@H](C)C#N ZINC000355434377 394452876 /nfs/dbraw/zinc/45/28/76/394452876.db2.gz 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/nfs/dbraw/zinc/66/10/48/394661048.db2.gz YVGGDOIDCKCVJY-UHFFFAOYSA-N 1 2 252.321 2.470 20 30 CEEDLO Cc1[nH]c(C(=O)NCCC[C@@H]2CCCC[C@H]2O)c[nH+]1 ZINC000330449323 394611862 /nfs/dbraw/zinc/61/18/62/394611862.db2.gz ITRVZXMHUIZBDU-WCQYABFASA-N 1 2 265.357 2.354 20 30 CEEDLO CC(C)c1nc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC000330617186 394621565 /nfs/dbraw/zinc/62/15/65/394621565.db2.gz FPROFXUFVMEEKK-NSHDSACASA-N 1 2 297.424 2.292 20 30 CEEDLO CC(C)c1nc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cs1 ZINC000330617186 394621568 /nfs/dbraw/zinc/62/15/68/394621568.db2.gz FPROFXUFVMEEKK-NSHDSACASA-N 1 2 297.424 2.292 20 30 CEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000334251887 394669423 /nfs/dbraw/zinc/66/94/23/394669423.db2.gz BJOMDVSKWIDRBU-UONOGXRCSA-N 1 2 277.412 2.307 20 30 CEEDLO CN(C)C(=O)[C@@H]1CCC[C@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265140119 394646766 /nfs/dbraw/zinc/64/67/66/394646766.db2.gz NFHRAHLLNLJOFP-MCQMGMOMSA-N 1 2 290.363 2.164 20 30 CEEDLO Cc1cn2cc(NC(=O)C3(C#N)CCC3)ccc2[nH+]1 ZINC000265587927 394650594 /nfs/dbraw/zinc/65/05/94/394650594.db2.gz WOQASZSFEGEOEV-UHFFFAOYSA-N 1 2 254.293 2.275 20 30 CEEDLO CC(C)[N@H+](CC(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000269019091 394708905 /nfs/dbraw/zinc/70/89/05/394708905.db2.gz YIVKTEQQOPVGDH-ZDUSSCGKSA-N 1 2 298.333 2.273 20 30 CEEDLO CC(C)[N@@H+](CC(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000269019091 394708908 /nfs/dbraw/zinc/70/89/08/394708908.db2.gz YIVKTEQQOPVGDH-ZDUSSCGKSA-N 1 2 298.333 2.273 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597151 394763660 /nfs/dbraw/zinc/76/36/60/394763660.db2.gz IWMQRKDQYDBZMM-CHWSQXEVSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597151 394763663 /nfs/dbraw/zinc/76/36/63/394763663.db2.gz IWMQRKDQYDBZMM-CHWSQXEVSA-N 1 2 265.401 2.115 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000121000945 394788768 /nfs/dbraw/zinc/78/87/68/394788768.db2.gz 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/nfs/dbraw/zinc/81/68/45/394816845.db2.gz NVFIYJKJKHHMKT-DGAVXFQQSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)OC ZINC000361110714 394817211 /nfs/dbraw/zinc/81/72/11/394817211.db2.gz HONLRAGEJGWKPV-WFASDCNBSA-N 1 2 295.354 2.263 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2SCCC(C)(C)C#N ZINC000123928983 394834029 /nfs/dbraw/zinc/83/40/29/394834029.db2.gz WEYBJBKAKOSYSS-UHFFFAOYSA-N 1 2 261.354 2.395 20 30 CEEDLO Cc1cccc2nc(C[N@@H+](C[C@H](C)C#N)C3CC3)cc(=O)n12 ZINC000338370688 394917940 /nfs/dbraw/zinc/91/79/40/394917940.db2.gz BJMRTZTXDPTZGA-GFCCVEGCSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1cccc2nc(C[N@H+](C[C@H](C)C#N)C3CC3)cc(=O)n12 ZINC000338370688 394917943 /nfs/dbraw/zinc/91/79/43/394917943.db2.gz BJMRTZTXDPTZGA-GFCCVEGCSA-N 1 2 296.374 2.127 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CCOCC23CC3)cc(OC)c1O ZINC000339001616 394935036 /nfs/dbraw/zinc/93/50/36/394935036.db2.gz XBPUXLLUAYBGJN-UHFFFAOYSA-N 1 2 289.375 2.494 20 30 CEEDLO C=CCc1cc(C[N@H+]2CCOCC23CC3)cc(OC)c1O ZINC000339001616 394935040 /nfs/dbraw/zinc/93/50/40/394935040.db2.gz XBPUXLLUAYBGJN-UHFFFAOYSA-N 1 2 289.375 2.494 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000367049098 394956535 /nfs/dbraw/zinc/95/65/35/394956535.db2.gz BWCGDAZUSSIZQF-BLLLJJGKSA-N 1 2 294.345 2.387 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000367049098 394956536 /nfs/dbraw/zinc/95/65/36/394956536.db2.gz BWCGDAZUSSIZQF-BLLLJJGKSA-N 1 2 294.345 2.387 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367087355 394957001 /nfs/dbraw/zinc/95/70/01/394957001.db2.gz XLSZZDGWGBHTFW-INIZCTEOSA-N 1 2 285.391 2.323 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000366799321 394952384 /nfs/dbraw/zinc/95/23/84/394952384.db2.gz ZAYRJGBPMCOKDV-AVGNSLFASA-N 1 2 259.777 2.397 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000366799321 394952389 /nfs/dbraw/zinc/95/23/89/394952389.db2.gz ZAYRJGBPMCOKDV-AVGNSLFASA-N 1 2 259.777 2.397 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C[N@@H+](CC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000376461155 395121095 /nfs/dbraw/zinc/12/10/95/395121095.db2.gz BXZIEWZHXLSSDK-LBPRGKRZSA-N 1 2 267.373 2.231 20 30 CEEDLO C#CCCCCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375949796 395105698 /nfs/dbraw/zinc/10/56/98/395105698.db2.gz USGOMUWNDYYKHN-UHFFFAOYSA-N 1 2 273.380 2.371 20 30 CEEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)on1 ZINC000176153668 395137396 /nfs/dbraw/zinc/13/73/96/395137396.db2.gz SFIIBKDOASYSAI-KRWDZBQOSA-N 1 2 296.374 2.366 20 30 CEEDLO CCN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178132766 395161176 /nfs/dbraw/zinc/16/11/76/395161176.db2.gz ZZNMLNILRBJXCL-JTQLQIEISA-N 1 2 297.786 2.234 20 30 CEEDLO COCC[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000428985515 395157827 /nfs/dbraw/zinc/15/78/27/395157827.db2.gz VNXXTSMOEVJCMM-MLGOLLRUSA-N 1 2 292.354 2.323 20 30 CEEDLO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000428985515 395157832 /nfs/dbraw/zinc/15/78/32/395157832.db2.gz VNXXTSMOEVJCMM-MLGOLLRUSA-N 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/nfs/dbraw/zinc/27/57/93/395275793.db2.gz ZXQXFDATQRWFBF-HNNXBMFYSA-N 1 2 290.411 2.073 20 30 CEEDLO CC(C)N1CC[N@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000411492435 395329960 /nfs/dbraw/zinc/32/99/60/395329960.db2.gz CMYRFIKPQDIHNF-UHFFFAOYSA-N 1 2 277.412 2.403 20 30 CEEDLO CC(C)N1CC[N@@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000411492435 395329964 /nfs/dbraw/zinc/32/99/64/395329964.db2.gz CMYRFIKPQDIHNF-UHFFFAOYSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000411623752 395332603 /nfs/dbraw/zinc/33/26/03/395332603.db2.gz SIGCNAKELVANEM-GOEBONIOSA-N 1 2 274.364 2.458 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000411623752 395332606 /nfs/dbraw/zinc/33/26/06/395332606.db2.gz SIGCNAKELVANEM-GOEBONIOSA-N 1 2 274.364 2.458 20 30 CEEDLO CCN1CCN(c2cccc(F)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530375219 395456620 /nfs/dbraw/zinc/45/66/20/395456620.db2.gz AOFVISBYZUMNGR-OAHLLOKOSA-N 1 2 299.353 2.304 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@H](C)C2)c1C#N ZINC000534472510 395463121 /nfs/dbraw/zinc/46/31/21/395463121.db2.gz OOAFDIXJEIYLIZ-LLVKDONJSA-N 1 2 290.388 2.282 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@H](C)C2)c1C#N ZINC000534472510 395463124 /nfs/dbraw/zinc/46/31/24/395463124.db2.gz OOAFDIXJEIYLIZ-LLVKDONJSA-N 1 2 290.388 2.282 20 30 CEEDLO Cc1cc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)ccc1C#N ZINC000355420909 395444097 /nfs/dbraw/zinc/44/40/97/395444097.db2.gz KRRNPCVYWQTZKH-VPZZIHKRSA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)ccc1C#N ZINC000355420909 395444099 /nfs/dbraw/zinc/44/40/99/395444099.db2.gz KRRNPCVYWQTZKH-VPZZIHKRSA-N 1 2 276.405 2.208 20 30 CEEDLO CCO[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000449492376 395550945 /nfs/dbraw/zinc/55/09/45/395550945.db2.gz BWCMBJQVMAWOOW-JQWIXIFHSA-N 1 2 265.382 2.262 20 30 CEEDLO CCO[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000449492376 395550946 /nfs/dbraw/zinc/55/09/46/395550946.db2.gz BWCMBJQVMAWOOW-JQWIXIFHSA-N 1 2 265.382 2.262 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000570825347 395583814 /nfs/dbraw/zinc/58/38/14/395583814.db2.gz UAJGGOVJKFNZSA-OAHLLOKOSA-N 1 2 297.443 2.143 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000570825347 395583816 /nfs/dbraw/zinc/58/38/16/395583816.db2.gz UAJGGOVJKFNZSA-OAHLLOKOSA-N 1 2 297.443 2.143 20 30 CEEDLO Cc1cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)ccc1C#N ZINC000575064355 395645370 /nfs/dbraw/zinc/64/53/70/395645370.db2.gz ZSXURWJCPGFDJK-KRWDZBQOSA-N 1 2 288.391 2.493 20 30 CEEDLO Cc1cc(C[N@H+]2CCO[C@H](COC(C)C)C2)ccc1C#N ZINC000575064355 395645372 /nfs/dbraw/zinc/64/53/72/395645372.db2.gz ZSXURWJCPGFDJK-KRWDZBQOSA-N 1 2 288.391 2.493 20 30 CEEDLO N#Cc1ccc(OC2C[NH+](Cc3ccncc3)C2)cc1 ZINC000459609966 395666472 /nfs/dbraw/zinc/66/64/72/395666472.db2.gz JWEDREHSFYLDAV-UHFFFAOYSA-N 1 2 265.316 2.216 20 30 CEEDLO Cc1nc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1C#N ZINC000487729632 395667396 /nfs/dbraw/zinc/66/73/96/395667396.db2.gz JLKOZAYWHFDGDX-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO Cc1cc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883959 395667537 /nfs/dbraw/zinc/66/75/37/395667537.db2.gz SZYIZRXDYAFSAL-QWHCGFSZSA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1cc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883959 395667538 /nfs/dbraw/zinc/66/75/38/395667538.db2.gz SZYIZRXDYAFSAL-QWHCGFSZSA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1nc(NCCc2[nH]c3ccccc3[nH+]2)ccc1C#N ZINC000487909560 395667624 /nfs/dbraw/zinc/66/76/24/395667624.db2.gz KLCVCTWITKGICB-UHFFFAOYSA-N 1 2 277.331 2.215 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000046779645 400170225 /nfs/dbraw/zinc/17/02/25/400170225.db2.gz QBZPYSRNIUJFQY-UHFFFAOYSA-N 1 2 274.364 2.029 20 30 CEEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000646032107 400718075 /nfs/dbraw/zinc/71/80/75/400718075.db2.gz YWLFKVNLAXSVFO-QGZVFWFLSA-N 1 2 297.358 2.010 20 30 CEEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000646032107 400718079 /nfs/dbraw/zinc/71/80/79/400718079.db2.gz YWLFKVNLAXSVFO-QGZVFWFLSA-N 1 2 297.358 2.010 20 30 CEEDLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000360175388 155236943 /nfs/dbraw/zinc/23/69/43/155236943.db2.gz JXJMVOROAFMRGD-LLVKDONJSA-N 1 2 268.320 2.043 20 30 CEEDLO C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000360379582 155286273 /nfs/dbraw/zinc/28/62/73/155286273.db2.gz UGQGSMQBZSSKIX-CQSZACIVSA-N 1 2 296.374 2.407 20 30 CEEDLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1C#N ZINC000282421720 286220560 /nfs/dbraw/zinc/22/05/60/286220560.db2.gz SSDYEJODHUPVLB-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1C#N ZINC000282421720 286220561 /nfs/dbraw/zinc/22/05/61/286220561.db2.gz SSDYEJODHUPVLB-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000359732049 155122984 /nfs/dbraw/zinc/12/29/84/155122984.db2.gz CYMXJQKKLZDAMZ-GFCCVEGCSA-N 1 2 269.348 2.323 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOCC23CCCC3)cc1 ZINC000367095902 156128573 /nfs/dbraw/zinc/12/85/73/156128573.db2.gz DUFBNPDLZVORSQ-UHFFFAOYSA-N 1 2 299.374 2.142 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOCC23CCCC3)cc1 ZINC000367095902 156128576 /nfs/dbraw/zinc/12/85/76/156128576.db2.gz DUFBNPDLZVORSQ-UHFFFAOYSA-N 1 2 299.374 2.142 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000375916532 157162336 /nfs/dbraw/zinc/16/23/36/157162336.db2.gz BAGOAVIUQQIHMJ-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000375916532 157162338 /nfs/dbraw/zinc/16/23/38/157162338.db2.gz BAGOAVIUQQIHMJ-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653909309 414789134 /nfs/dbraw/zinc/78/91/34/414789134.db2.gz FPZYMVUASVPVOE-DZGCQCFKSA-N 1 2 299.374 2.239 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764690 414966365 /nfs/dbraw/zinc/96/63/65/414966365.db2.gz QPXIOHFMWXPMTO-LSDHHAIUSA-N 1 2 286.379 2.153 20 30 CEEDLO C=CCC[C@H](O)C[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764690 414966367 /nfs/dbraw/zinc/96/63/67/414966367.db2.gz QPXIOHFMWXPMTO-LSDHHAIUSA-N 1 2 286.379 2.153 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)nn1 ZINC000653623448 415058171 /nfs/dbraw/zinc/05/81/71/415058171.db2.gz FTLXFAGQVXNSPV-MRXNPFEDSA-N 1 2 290.411 2.245 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)nn1 ZINC000653623448 415058174 /nfs/dbraw/zinc/05/81/74/415058174.db2.gz FTLXFAGQVXNSPV-MRXNPFEDSA-N 1 2 290.411 2.245 20 30 CEEDLO C=CCCn1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000653570593 415040323 /nfs/dbraw/zinc/04/03/23/415040323.db2.gz WWRUGVAKRCIQLW-CQSZACIVSA-N 1 2 286.383 2.305 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)nn1 ZINC000653593082 415044400 /nfs/dbraw/zinc/04/44/00/415044400.db2.gz FSAOMKQGPCXZOW-ZDUSSCGKSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccncc2)nn1 ZINC000653593082 415044406 /nfs/dbraw/zinc/04/44/06/415044406.db2.gz FSAOMKQGPCXZOW-ZDUSSCGKSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CC[N@H+](Cc1nccn1CC(F)(F)F)[C@H](C)COC ZINC000661242190 415154365 /nfs/dbraw/zinc/15/43/65/415154365.db2.gz IHQSEDBQOJBVKK-LLVKDONJSA-N 1 2 291.317 2.468 20 30 CEEDLO C=CC[N@@H+](Cc1nccn1CC(F)(F)F)[C@H](C)COC ZINC000661242190 415154369 /nfs/dbraw/zinc/15/43/69/415154369.db2.gz IHQSEDBQOJBVKK-LLVKDONJSA-N 1 2 291.317 2.468 20 30 CEEDLO CCC#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000661245811 415157839 /nfs/dbraw/zinc/15/78/39/415157839.db2.gz RLTSVXLQDILJHI-ZDUSSCGKSA-N 1 2 259.353 2.062 20 30 CEEDLO CCC#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000661245811 415157843 /nfs/dbraw/zinc/15/78/43/415157843.db2.gz RLTSVXLQDILJHI-ZDUSSCGKSA-N 1 2 259.353 2.062 20 30 CEEDLO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661150538 415113105 /nfs/dbraw/zinc/11/31/05/415113105.db2.gz MYTYSUVGAZVPDM-AWEZNQCLSA-N 1 2 299.374 2.453 20 30 CEEDLO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661150538 415113109 /nfs/dbraw/zinc/11/31/09/415113109.db2.gz MYTYSUVGAZVPDM-AWEZNQCLSA-N 1 2 299.374 2.453 20 30 CEEDLO C=CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000045857619 175385012 /nfs/dbraw/zinc/38/50/12/175385012.db2.gz DXFBHBFMRPXECH-CYBMUJFWSA-N 1 2 288.326 2.134 20 30 CEEDLO C=CCOCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000658207587 415257080 /nfs/dbraw/zinc/25/70/80/415257080.db2.gz VLMIZNIUJXRKFI-AWEZNQCLSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CCCNC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000661569990 415332193 /nfs/dbraw/zinc/33/21/93/415332193.db2.gz YGZGJFUYLCQHCT-UHFFFAOYSA-N 1 2 278.400 2.443 20 30 CEEDLO C=CCC1(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000664928139 415525242 /nfs/dbraw/zinc/52/52/42/415525242.db2.gz XXELMEPXWWVFLX-LBPRGKRZSA-N 1 2 288.395 2.455 20 30 CEEDLO C=CCC1(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000664928139 415525245 /nfs/dbraw/zinc/52/52/45/415525245.db2.gz XXELMEPXWWVFLX-LBPRGKRZSA-N 1 2 288.395 2.455 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@]2(C)CCCC[C@H]2C)nn1 ZINC000656458826 415717857 /nfs/dbraw/zinc/71/78/57/415717857.db2.gz IOLDPHIOICPYIN-UKRRQHHQSA-N 1 2 260.385 2.316 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2cc(C)ccc2OC)nn1 ZINC000656460680 415717962 /nfs/dbraw/zinc/71/79/62/415717962.db2.gz NUBOSMMMGHSMKN-CQSZACIVSA-N 1 2 298.390 2.317 20 30 CEEDLO N#Cc1nccnc1Sc1[nH+]cc2ccccn21 ZINC000072082117 176313001 /nfs/dbraw/zinc/31/30/01/176313001.db2.gz WGLCFKCBONHLIR-UHFFFAOYSA-N 1 2 253.290 2.147 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000656681834 415809639 /nfs/dbraw/zinc/80/96/39/415809639.db2.gz MKDBRMYBWQQLOJ-RYUDHWBXSA-N 1 2 279.409 2.383 20 30 CEEDLO C=CCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000077679859 177293859 /nfs/dbraw/zinc/29/38/59/177293859.db2.gz ZTRWSBQHEMQULI-UHFFFAOYSA-N 1 2 297.314 2.115 20 30 CEEDLO CC(C)n1cc(C#N)c(NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000566740649 299019550 /nfs/dbraw/zinc/01/95/50/299019550.db2.gz LDVFMPCZWZEETH-NSHDSACASA-N 1 2 286.339 2.122 20 30 CEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@H](C4CCC4)C3)n2c1 ZINC000567220438 299042992 /nfs/dbraw/zinc/04/29/92/299042992.db2.gz VEYJUGMESBJLSZ-INIZCTEOSA-N 1 2 296.374 2.207 20 30 CEEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@H](C4CCC4)C3)n2c1 ZINC000567220438 299042994 /nfs/dbraw/zinc/04/29/94/299042994.db2.gz VEYJUGMESBJLSZ-INIZCTEOSA-N 1 2 296.374 2.207 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@H](C4CCC4)C3)n2c1 ZINC000567220438 299042997 /nfs/dbraw/zinc/04/29/97/299042997.db2.gz VEYJUGMESBJLSZ-INIZCTEOSA-N 1 2 296.374 2.207 20 30 CEEDLO C[C@@]1(C(=O)NCc2cn3c([nH+]2)CCCC3)CCOC1 ZINC000329696184 227883476 /nfs/dbraw/zinc/88/34/76/227883476.db2.gz XVFNKLHGGWNOFT-CQSZACIVSA-N 1 2 263.341 2.103 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ncnn1-c1ccccc1 ZINC000331577954 228112879 /nfs/dbraw/zinc/11/28/79/228112879.db2.gz RUBSCKVMJZVOMF-OCCSQVGLSA-N 1 2 267.336 2.049 20 30 CEEDLO Cc1ccc(NC(=O)N2CCO[C@@H](C3CC3)C2)c(C)[nH+]1 ZINC000330127479 228045829 /nfs/dbraw/zinc/04/58/29/228045829.db2.gz JBGWBUVVHXDPPS-CQSZACIVSA-N 1 2 275.352 2.355 20 30 CEEDLO [O-]C(NC1CCC(F)(F)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330177185 228055966 /nfs/dbraw/zinc/05/59/66/228055966.db2.gz CVJWVSHNJVVVMG-LLVKDONJSA-N 1 2 298.337 2.279 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCC(F)(F)CC1 ZINC000330177185 228055968 /nfs/dbraw/zinc/05/59/68/228055968.db2.gz CVJWVSHNJVVVMG-LLVKDONJSA-N 1 2 298.337 2.279 20 30 CEEDLO O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330276853 228089486 /nfs/dbraw/zinc/08/94/86/228089486.db2.gz NMVFAWMSSYESLD-QWHCGFSZSA-N 1 2 297.358 2.275 20 30 CEEDLO N#CC1(C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)CCC1 ZINC000333892174 228219021 /nfs/dbraw/zinc/21/90/21/228219021.db2.gz XJRARWNFRWPEEG-HNNXBMFYSA-N 1 2 289.423 2.451 20 30 CEEDLO N#CC1(C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)CCC1 ZINC000333892174 228219022 /nfs/dbraw/zinc/21/90/22/228219022.db2.gz XJRARWNFRWPEEG-HNNXBMFYSA-N 1 2 289.423 2.451 20 30 CEEDLO C=CCOCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000666975605 419500652 /nfs/dbraw/zinc/50/06/52/419500652.db2.gz TYVRJVQNBPACFZ-UHFFFAOYSA-N 1 2 274.324 2.049 20 30 CEEDLO C#CC[C@@H](Nc1cc(NC[C@@H](C)O)[nH+]cn1)c1ccccc1 ZINC000298975919 260169921 /nfs/dbraw/zinc/16/99/21/260169921.db2.gz QVAPZWNPUXSTQN-UKRRQHHQSA-N 1 2 296.374 2.446 20 30 CEEDLO C#CC[C@@H](Nc1cc(NC[C@@H](C)O)nc[nH+]1)c1ccccc1 ZINC000298975919 260169922 /nfs/dbraw/zinc/16/99/22/260169922.db2.gz QVAPZWNPUXSTQN-UKRRQHHQSA-N 1 2 296.374 2.446 20 30 CEEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1nncs1 ZINC000048545685 260200464 /nfs/dbraw/zinc/20/04/64/260200464.db2.gz WOTOAINMQFHTON-UHFFFAOYSA-N 1 2 292.364 2.267 20 30 CEEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1nncs1 ZINC000048545685 260200465 /nfs/dbraw/zinc/20/04/65/260200465.db2.gz WOTOAINMQFHTON-UHFFFAOYSA-N 1 2 292.364 2.267 20 30 CEEDLO NC(=[NH+]OCC1CC1)c1ccc(N2CCCCC2)nc1 ZINC000124108393 260744027 /nfs/dbraw/zinc/74/40/27/260744027.db2.gz YPRNFBPILFGEDV-UHFFFAOYSA-N 1 2 274.368 2.119 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C#N)cn1 ZINC000171634183 260945496 /nfs/dbraw/zinc/94/54/96/260945496.db2.gz GIWDSALXPFJKBD-UHFFFAOYSA-N 1 2 291.314 2.250 20 30 CEEDLO N#CCC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000153962730 261085780 /nfs/dbraw/zinc/08/57/80/261085780.db2.gz BNBKCLNJUNUJMI-UHFFFAOYSA-N 1 2 282.347 2.046 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173423917 261163053 /nfs/dbraw/zinc/16/30/53/261163053.db2.gz YMBGLUOWKSPZMC-UHFFFAOYSA-N 1 2 281.425 2.392 20 30 CEEDLO CN(C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C1(C#N)CCC1 ZINC000364008811 262094138 /nfs/dbraw/zinc/09/41/38/262094138.db2.gz OGYWFFBUNAGMRY-AWEZNQCLSA-N 1 2 298.390 2.203 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000371706222 262105787 /nfs/dbraw/zinc/10/57/87/262105787.db2.gz IJAVNAANZZZQAI-LBPRGKRZSA-N 1 2 276.384 2.462 20 30 CEEDLO O=C(C#Cc1ccccc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364392778 262224735 /nfs/dbraw/zinc/22/47/35/262224735.db2.gz XSDNOVHRDBOFOC-UHFFFAOYSA-N 1 2 279.343 2.167 20 30 CEEDLO O=C(C#Cc1ccccc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364392778 262224737 /nfs/dbraw/zinc/22/47/37/262224737.db2.gz XSDNOVHRDBOFOC-UHFFFAOYSA-N 1 2 279.343 2.167 20 30 CEEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCSCC#N ZINC000162447172 262330135 /nfs/dbraw/zinc/33/01/35/262330135.db2.gz QCASYPZWDSFQKK-AWEZNQCLSA-N 1 2 279.409 2.045 20 30 CEEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCSCC#N ZINC000162447172 262330136 /nfs/dbraw/zinc/33/01/36/262330136.db2.gz QCASYPZWDSFQKK-AWEZNQCLSA-N 1 2 279.409 2.045 20 30 CEEDLO C=CC[C@H](C)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365372452 262362118 /nfs/dbraw/zinc/36/21/18/262362118.db2.gz PSCXSVGMJPAFDK-KBPBESRZSA-N 1 2 273.380 2.379 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000337319110 262445157 /nfs/dbraw/zinc/44/51/57/262445157.db2.gz NOEMPHOHDCDMIL-UONOGXRCSA-N 1 2 291.395 2.166 20 30 CEEDLO Cc1cccn2cc(CSc3nnc(CC#N)n3C)[nH+]c12 ZINC000279896807 263058135 /nfs/dbraw/zinc/05/81/35/263058135.db2.gz IQVBJYCAPUPWHC-UHFFFAOYSA-N 1 2 298.375 2.130 20 30 CEEDLO CC1(C#N)CN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000281101830 263066453 /nfs/dbraw/zinc/06/64/53/263066453.db2.gz VZDCJBWAGBFQRM-UHFFFAOYSA-N 1 2 252.321 2.218 20 30 CEEDLO COc1ccc(C[N@H+](CCC#N)CCC(C)C)nn1 ZINC000283104856 263081128 /nfs/dbraw/zinc/08/11/28/263081128.db2.gz MAUXRDIZINVOTQ-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)nn1 ZINC000283104856 263081129 /nfs/dbraw/zinc/08/11/29/263081129.db2.gz MAUXRDIZINVOTQ-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO NC(=[NH+]OCc1ccc(C(F)(F)F)cn1)[C@H]1CCCO1 ZINC000283845337 263084631 /nfs/dbraw/zinc/08/46/31/263084631.db2.gz BVBZACWBZATCNC-SNVBAGLBSA-N 1 2 289.257 2.068 20 30 CEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000283973429 263085212 /nfs/dbraw/zinc/08/52/12/263085212.db2.gz GLABJDHBWVZVJC-GWCFXTLKSA-N 1 2 259.309 2.087 20 30 CEEDLO NC(=[NH+]OCCSc1ccccc1)[C@@H]1CCCO1 ZINC000284046497 263085576 /nfs/dbraw/zinc/08/55/76/263085576.db2.gz JCZOFDPKNPFMQC-LBPRGKRZSA-N 1 2 266.366 2.247 20 30 CEEDLO CCOC1CC(CO[NH+]=C(N)c2cccc(OC)c2)C1 ZINC000285042131 263089506 /nfs/dbraw/zinc/08/95/06/263089506.db2.gz FYZHAFMVHOKZTI-UHFFFAOYSA-N 1 2 278.352 2.147 20 30 CEEDLO Oc1ccc(/C=[NH+]/C[C@@H]2CCCSC2)c(O)c1O ZINC000287037813 263100773 /nfs/dbraw/zinc/10/07/73/263100773.db2.gz HRRHSCNFMPQROV-DUJAKZANSA-N 1 2 267.350 2.366 20 30 CEEDLO C=CCN(CCC#N)CCC[N@@H+](CC=C)CCC#N ZINC000292086315 263128320 /nfs/dbraw/zinc/12/83/20/263128320.db2.gz DZRNFILYOCJKDY-UHFFFAOYSA-N 1 2 260.385 2.180 20 30 CEEDLO C=CCN(CCC#N)CCC[N@H+](CC=C)CCC#N ZINC000292086315 263128321 /nfs/dbraw/zinc/12/83/21/263128321.db2.gz DZRNFILYOCJKDY-UHFFFAOYSA-N 1 2 260.385 2.180 20 30 CEEDLO C=C(Cl)CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366701470 263168559 /nfs/dbraw/zinc/16/85/59/263168559.db2.gz PHZBOPLTHVQQRL-NSHDSACASA-N 1 2 282.775 2.121 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000297826223 263210431 /nfs/dbraw/zinc/21/04/31/263210431.db2.gz JNZYQCSEAZZWJS-CYBMUJFWSA-N 1 2 289.354 2.276 20 30 CEEDLO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000330851008 264067983 /nfs/dbraw/zinc/06/79/83/264067983.db2.gz QGYVEHRXMFVPQM-GXTWGEPZSA-N 1 2 257.337 2.215 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000330855076 264069459 /nfs/dbraw/zinc/06/94/59/264069459.db2.gz RVESFINVAUZKBS-OCCSQVGLSA-N 1 2 257.337 2.215 20 30 CEEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000330944439 264084396 /nfs/dbraw/zinc/08/43/96/264084396.db2.gz IRBOTAKMOQSSDP-GFCCVEGCSA-N 1 2 297.786 2.056 20 30 CEEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000330944439 264084397 /nfs/dbraw/zinc/08/43/97/264084397.db2.gz IRBOTAKMOQSSDP-GFCCVEGCSA-N 1 2 297.786 2.056 20 30 CEEDLO CCC[C@@H](O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331240266 264176483 /nfs/dbraw/zinc/17/64/83/264176483.db2.gz PFOOZVLPBJKEPT-GFCCVEGCSA-N 1 2 265.357 2.494 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130332733 264346293 /nfs/dbraw/zinc/34/62/93/264346293.db2.gz PSAPWOAZUWJOKJ-CYBMUJFWSA-N 1 2 259.353 2.133 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000356474841 266121781 /nfs/dbraw/zinc/12/17/81/266121781.db2.gz LIPUWMPGCCAGEI-BARDWOONSA-N 1 2 279.428 2.361 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000356474841 266121783 /nfs/dbraw/zinc/12/17/83/266121783.db2.gz LIPUWMPGCCAGEI-BARDWOONSA-N 1 2 279.428 2.361 20 30 CEEDLO CC#CCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357821297 266372234 /nfs/dbraw/zinc/37/22/34/266372234.db2.gz OLXTWIFBWKDWAX-UHFFFAOYSA-N 1 2 269.323 2.393 20 30 CEEDLO CC#CC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000357821297 266372235 /nfs/dbraw/zinc/37/22/35/266372235.db2.gz OLXTWIFBWKDWAX-UHFFFAOYSA-N 1 2 269.323 2.393 20 30 CEEDLO CC#CC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000357821297 266372240 /nfs/dbraw/zinc/37/22/40/266372240.db2.gz OLXTWIFBWKDWAX-UHFFFAOYSA-N 1 2 269.323 2.393 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000361108541 266785173 /nfs/dbraw/zinc/78/51/73/266785173.db2.gz CMLGELJUBBQFNV-ZOBORPQBSA-N 1 2 269.385 2.145 20 30 CEEDLO Cc1cc(OCC(=O)NC2(C#N)CCC2)c2ccccc2[nH+]1 ZINC000362760918 267043495 /nfs/dbraw/zinc/04/34/95/267043495.db2.gz UPTWDDVVKAEIGZ-UHFFFAOYSA-N 1 2 295.342 2.485 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000459495217 267069659 /nfs/dbraw/zinc/06/96/59/267069659.db2.gz DTWMOXRCNDUFQO-NSHDSACASA-N 1 2 277.324 2.323 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000459495217 267069662 /nfs/dbraw/zinc/06/96/62/267069662.db2.gz DTWMOXRCNDUFQO-NSHDSACASA-N 1 2 277.324 2.323 20 30 CEEDLO CCCCCCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000367476404 267093592 /nfs/dbraw/zinc/09/35/92/267093592.db2.gz ILJYRMJSYNTNBW-NSHDSACASA-N 1 2 262.344 2.460 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000367942256 267129176 /nfs/dbraw/zinc/12/91/76/267129176.db2.gz LIHWIIGVVZHOCV-ZDUSSCGKSA-N 1 2 282.347 2.190 20 30 CEEDLO CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224573 267241641 /nfs/dbraw/zinc/24/16/41/267241641.db2.gz DWRYGNCOJSBSEF-MNVSYLFESA-N 1 2 291.420 2.175 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000370505048 267325445 /nfs/dbraw/zinc/32/54/45/267325445.db2.gz PBJIIZLAHYQWEG-CHWSQXEVSA-N 1 2 265.357 2.232 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000370505048 267325443 /nfs/dbraw/zinc/32/54/43/267325443.db2.gz PBJIIZLAHYQWEG-CHWSQXEVSA-N 1 2 265.357 2.232 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC[C@](F)(c2cccc(C)c2)C1 ZINC000370572661 267328892 /nfs/dbraw/zinc/32/88/92/267328892.db2.gz SWGZMQBSKBMCLU-MRXNPFEDSA-N 1 2 276.355 2.168 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC[C@](F)(c2cccc(C)c2)C1 ZINC000370572661 267328894 /nfs/dbraw/zinc/32/88/94/267328894.db2.gz SWGZMQBSKBMCLU-MRXNPFEDSA-N 1 2 276.355 2.168 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493614701 268028734 /nfs/dbraw/zinc/02/87/34/268028734.db2.gz QWPWRQFYAKHXLS-PLNGDYQASA-N 1 2 252.277 2.242 20 30 CEEDLO Cc1occc1C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434715076 268105465 /nfs/dbraw/zinc/10/54/65/268105465.db2.gz VVQKVGPUCCGZPH-OAHLLOKOSA-N 1 2 283.331 2.118 20 30 CEEDLO Cc1occc1C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434715076 268105467 /nfs/dbraw/zinc/10/54/67/268105467.db2.gz VVQKVGPUCCGZPH-OAHLLOKOSA-N 1 2 283.331 2.118 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)s1 ZINC000528788458 268219687 /nfs/dbraw/zinc/21/96/87/268219687.db2.gz MZCPTNUBPRGWNU-CYBMUJFWSA-N 1 2 286.360 2.452 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)s1 ZINC000528788458 268219689 /nfs/dbraw/zinc/21/96/89/268219689.db2.gz MZCPTNUBPRGWNU-CYBMUJFWSA-N 1 2 286.360 2.452 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccnc3N)CCO2)c1 ZINC000450636714 268290189 /nfs/dbraw/zinc/29/01/89/268290189.db2.gz ODRJHLTXJBXTPP-MRXNPFEDSA-N 1 2 294.358 2.109 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccnc3N)CCO2)c1 ZINC000450636714 268290192 /nfs/dbraw/zinc/29/01/92/268290192.db2.gz ODRJHLTXJBXTPP-MRXNPFEDSA-N 1 2 294.358 2.109 20 30 CEEDLO COC1CCC(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425237017 271143791 /nfs/dbraw/zinc/14/37/91/271143791.db2.gz RJLKYDKVVAHZPJ-UHFFFAOYSA-N 1 2 259.353 2.301 20 30 CEEDLO CCOC1CC(CCNc2cc(C)[nH+]cc2C#N)C1 ZINC000425252438 271147522 /nfs/dbraw/zinc/14/75/22/271147522.db2.gz HJFPPLDSPQHFAO-UHFFFAOYSA-N 1 2 259.353 2.301 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425505933 271165813 /nfs/dbraw/zinc/16/58/13/271165813.db2.gz ZOAJHGXZYVUQPB-HNNXBMFYSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425505933 271165816 /nfs/dbraw/zinc/16/58/16/271165816.db2.gz ZOAJHGXZYVUQPB-HNNXBMFYSA-N 1 2 285.326 2.126 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000336277064 276923726 /nfs/dbraw/zinc/92/37/26/276923726.db2.gz QKYSLNLUYNAXPR-OLZOCXBDSA-N 1 2 259.353 2.013 20 30 CEEDLO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000352451567 278324479 /nfs/dbraw/zinc/32/44/79/278324479.db2.gz XOVDMFXPVCYTMT-ZDUSSCGKSA-N 1 2 295.402 2.351 20 30 CEEDLO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[S@@]1=O ZINC000334560252 288156414 /nfs/dbraw/zinc/15/64/14/288156414.db2.gz TYXXVFINAACVEQ-FZKQIMNGSA-N 1 2 268.426 2.303 20 30 CEEDLO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[S@@]1=O ZINC000334560252 288156415 /nfs/dbraw/zinc/15/64/15/288156415.db2.gz TYXXVFINAACVEQ-FZKQIMNGSA-N 1 2 268.426 2.303 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000280231138 288213590 /nfs/dbraw/zinc/21/35/90/288213590.db2.gz AKEORSFYNNRJQT-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000280231138 288213591 /nfs/dbraw/zinc/21/35/91/288213591.db2.gz AKEORSFYNNRJQT-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO CC[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329641333 280239586 /nfs/dbraw/zinc/23/95/86/280239586.db2.gz XSKHCVPGBSXYQM-NWDGAFQWSA-N 1 2 276.384 2.446 20 30 CEEDLO CC[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329641333 280239590 /nfs/dbraw/zinc/23/95/90/280239590.db2.gz XSKHCVPGBSXYQM-NWDGAFQWSA-N 1 2 276.384 2.446 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[nH]1 ZINC000158717004 289239189 /nfs/dbraw/zinc/23/91/89/289239189.db2.gz RQFXKPOHKPEYHQ-UHFFFAOYSA-N 1 2 277.287 2.324 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329408123 293113563 /nfs/dbraw/zinc/11/35/63/293113563.db2.gz CRLCIESQCYSDGO-KWQFWETISA-N 1 2 287.367 2.367 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329408123 293113565 /nfs/dbraw/zinc/11/35/65/293113565.db2.gz CRLCIESQCYSDGO-KWQFWETISA-N 1 2 287.367 2.367 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3c[nH]c(C#N)c3)ccc2n1C ZINC000538709666 298235447 /nfs/dbraw/zinc/23/54/47/298235447.db2.gz MJTBOFPZPRTUAC-UHFFFAOYSA-N 1 2 279.303 2.334 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000331999067 303190511 /nfs/dbraw/zinc/19/05/11/303190511.db2.gz VWVMNKHHGTXANM-HOTGVXAUSA-N 1 2 284.359 2.128 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000331999067 303190514 /nfs/dbraw/zinc/19/05/14/303190514.db2.gz VWVMNKHHGTXANM-HOTGVXAUSA-N 1 2 284.359 2.128 20 30 CEEDLO N#Cc1cccnc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000267207044 303208774 /nfs/dbraw/zinc/20/87/74/303208774.db2.gz AYUFQJIMAKVVRL-LBPRGKRZSA-N 1 2 253.309 2.408 20 30 CEEDLO N#CCCC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000575056785 327665281 /nfs/dbraw/zinc/66/52/81/327665281.db2.gz RMDWSDKVZBYQFX-UHFFFAOYSA-N 1 2 273.384 2.130 20 30 CEEDLO CC1(C)C[NH+](CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 ZINC000576171019 314250028 /nfs/dbraw/zinc/25/00/28/314250028.db2.gz AZQAHULSUIXOKR-UHFFFAOYSA-N 1 2 298.390 2.413 20 30 CEEDLO N#Cc1nccc(Sc2[nH+]cc3ccccn32)n1 ZINC000576198424 314252003 /nfs/dbraw/zinc/25/20/03/314252003.db2.gz PCSUFVRKAQAFGT-UHFFFAOYSA-N 1 2 253.290 2.147 20 30 CEEDLO Cc1nc(C[NH2+]Cc2cc(C#N)n(C)c2)nc2ccccc12 ZINC000577037330 314334697 /nfs/dbraw/zinc/33/46/97/314334697.db2.gz YPZQNNLAQADPIC-UHFFFAOYSA-N 1 2 291.358 2.438 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000179775946 329212102 /nfs/dbraw/zinc/21/21/02/329212102.db2.gz DHWRSNKVLPDIEH-OLZOCXBDSA-N 1 2 261.369 2.307 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCCN1C(=O)c2ccccc2C1=O ZINC000292280847 328269201 /nfs/dbraw/zinc/26/92/01/328269201.db2.gz SWBMXJSYJKDGTG-UHFFFAOYSA-N 1 2 297.358 2.074 20 30 CEEDLO C=CC[N@H+](CCC#N)CCCN1C(=O)c2ccccc2C1=O ZINC000292280847 328269202 /nfs/dbraw/zinc/26/92/02/328269202.db2.gz SWBMXJSYJKDGTG-UHFFFAOYSA-N 1 2 297.358 2.074 20 30 CEEDLO C=CCCOCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000119561576 328307493 /nfs/dbraw/zinc/30/74/93/328307493.db2.gz QVNWTYBSODGRJL-UHFFFAOYSA-N 1 2 262.357 2.303 20 30 CEEDLO C=CCCOCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000119561576 328307495 /nfs/dbraw/zinc/30/74/95/328307495.db2.gz QVNWTYBSODGRJL-UHFFFAOYSA-N 1 2 262.357 2.303 20 30 CEEDLO C[C@@H](CC(=O)NCc1ccc(C#N)s1)n1cc[nH+]c1 ZINC000582006397 322438852 /nfs/dbraw/zinc/43/88/52/322438852.db2.gz IZBBMKSDVXBADZ-JTQLQIEISA-N 1 2 274.349 2.084 20 30 CEEDLO C=C[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000334498429 328435219 /nfs/dbraw/zinc/43/52/19/328435219.db2.gz KYJZVJKDVVIRGN-GHMZBOCLSA-N 1 2 262.357 2.087 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330711810 328469178 /nfs/dbraw/zinc/46/91/78/328469178.db2.gz VANREKRLCLTSEQ-ZFWWWQNUSA-N 1 2 263.385 2.081 20 30 CEEDLO Cc1cccc(Cl)c1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000568176105 326959523 /nfs/dbraw/zinc/95/95/23/326959523.db2.gz PUFBXRFNFIJRQF-UHFFFAOYSA-N 1 2 291.782 2.206 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1ccc(C(=O)OC)o1 ZINC000565783354 327011680 /nfs/dbraw/zinc/01/16/80/327011680.db2.gz NWVFEQNXMCAOMX-NXEZZACHSA-N 1 2 250.298 2.409 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000584116113 327041863 /nfs/dbraw/zinc/04/18/63/327041863.db2.gz JWLGMQHXVDUXNH-BXUZGUMPSA-N 1 2 289.335 2.466 20 30 CEEDLO 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634454896 /nfs/dbraw/zinc/45/48/96/634454896.db2.gz HYYOKFNCEPCMCT-DJIMGWMZSA-N 1 2 280.371 2.045 20 30 CEEDLO C[C@H](c1ccnn1C1CCC1)[NH+]1CCN(CCC#N)CC1 ZINC000926806451 627396984 /nfs/dbraw/zinc/39/69/84/627396984.db2.gz DSLRNJRRIPGPHK-CQSZACIVSA-N 1 2 287.411 2.200 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cn1 ZINC000783299168 627660600 /nfs/dbraw/zinc/66/06/00/627660600.db2.gz ACVAWPUWCUWGGQ-JTQLQIEISA-N 1 2 256.284 2.338 20 30 CEEDLO Nc1ccc(/C=C2/Cc3c(cccc3O)C2=O)c[nH+]1 ZINC000821038432 634611039 /nfs/dbraw/zinc/61/10/39/634611039.db2.gz IKTNPSQUSKNGJT-POHAHGRESA-N 1 2 252.273 2.192 20 30 CEEDLO C[C@H]1CCN(c2ccc(C#N)cc2CO)C[C@H]1n1cc[nH+]c1 ZINC000892910283 627846917 /nfs/dbraw/zinc/84/69/17/627846917.db2.gz QHKDSLPQZAGJHY-SUMWQHHRSA-N 1 2 296.374 2.335 20 30 CEEDLO COc1cc(C(=O)/C=C/c2ccc(N)[nH+]c2)ccc1O ZINC000821031830 634608923 /nfs/dbraw/zinc/60/89/23/634608923.db2.gz NYDXHLQRYINXNW-GORDUTHDSA-N 1 2 270.288 2.274 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001008319669 628280356 /nfs/dbraw/zinc/28/03/56/628280356.db2.gz YKMCYFHVUFGJRB-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001008319669 628280359 /nfs/dbraw/zinc/28/03/59/628280359.db2.gz YKMCYFHVUFGJRB-SNVBAGLBSA-N 1 2 297.811 2.014 20 30 CEEDLO Cc1ccn(C[NH+]2CCC(F)(C3CC3)CC2)c(=O)c1C#N ZINC000902418672 634644212 /nfs/dbraw/zinc/64/42/12/634644212.db2.gz YASKSKUDHSRIOY-UHFFFAOYSA-N 1 2 289.354 2.200 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCCOCC(F)F)ccc1F ZINC000189254603 628308650 /nfs/dbraw/zinc/30/86/50/628308650.db2.gz CDIPMMKRPFXMBS-UHFFFAOYSA-N 1 2 276.258 2.053 20 30 CEEDLO C=CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000253436375 628724600 /nfs/dbraw/zinc/72/46/00/628724600.db2.gz PCGGPNOEXQQXRP-RMKNXTFCSA-N 1 2 285.391 2.213 20 30 CEEDLO C#CCn1ccc(CN(CC)c2cc(CC)[nH+]c(CC)n2)n1 ZINC000893565145 628746034 /nfs/dbraw/zinc/74/60/34/628746034.db2.gz YKJUWQUGWAXNTJ-UHFFFAOYSA-N 1 2 297.406 2.458 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1O[C@@H](C)C(=O)OC ZINC000893606174 628785601 /nfs/dbraw/zinc/78/56/01/628785601.db2.gz NXKMLRPRMJNBHM-GXTWGEPZSA-N 1 2 290.363 2.409 20 30 CEEDLO CN1c2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc2CCC1=O ZINC000932149147 628976054 /nfs/dbraw/zinc/97/60/54/628976054.db2.gz XIGWPOKMLRTUKG-CQSZACIVSA-N 1 2 283.375 2.331 20 30 CEEDLO CN1c2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2CCC1=O ZINC000932149147 628976058 /nfs/dbraw/zinc/97/60/58/628976058.db2.gz XIGWPOKMLRTUKG-CQSZACIVSA-N 1 2 283.375 2.331 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ncc(C(=O)OC)s1)C(C)(C)C ZINC000894784467 629641274 /nfs/dbraw/zinc/64/12/74/629641274.db2.gz LJUVYGOJMJLNTR-JTQLQIEISA-N 1 2 266.366 2.067 20 30 CEEDLO CC(=[NH+]NC[C@H](C)C#N)c1cc(F)c(N)c(F)c1 ZINC000814881793 629852827 /nfs/dbraw/zinc/85/28/27/629852827.db2.gz YBVISCOPLSXKSO-SSDOTTSWSA-N 1 2 252.268 2.020 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC/C=C(\C)C(=O)OC ZINC000895513636 630229869 /nfs/dbraw/zinc/22/98/69/630229869.db2.gz PSTNDPXJTHBDMD-UKTHLTGXSA-N 1 2 288.347 2.405 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1CC(OC(C)C)C1)C(=O)OCC ZINC000895597110 630270893 /nfs/dbraw/zinc/27/08/93/630270893.db2.gz FURQNGOVKQYALI-JXQTWKCFSA-N 1 2 269.385 2.430 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cs1 ZINC000895755622 630332299 /nfs/dbraw/zinc/33/22/99/630332299.db2.gz YTWIQIPOUZMECE-LLVKDONJSA-N 1 2 272.320 2.476 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cs1 ZINC000895755622 630332304 /nfs/dbraw/zinc/33/23/04/630332304.db2.gz YTWIQIPOUZMECE-LLVKDONJSA-N 1 2 272.320 2.476 20 30 CEEDLO C#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000895827005 630357589 /nfs/dbraw/zinc/35/75/89/630357589.db2.gz BAHXLQRVZRKQKL-UHFFFAOYSA-N 1 2 267.332 2.075 20 30 CEEDLO C#CCN(Cc1c[nH+]c2ccc(C)cn12)C1CSC1 ZINC000895813762 630358750 /nfs/dbraw/zinc/35/87/50/630358750.db2.gz GTXFXPYGNLFMPR-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO C#CC[N@@H+](Cc1cnc2ccc(C)cn12)C1CSC1 ZINC000895813762 630358754 /nfs/dbraw/zinc/35/87/54/630358754.db2.gz GTXFXPYGNLFMPR-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO C#CC[N@H+](Cc1cnc2ccc(C)cn12)C1CSC1 ZINC000895813762 630358758 /nfs/dbraw/zinc/35/87/58/630358758.db2.gz GTXFXPYGNLFMPR-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(C#N)c1)C2 ZINC000896660565 630624014 /nfs/dbraw/zinc/62/40/14/630624014.db2.gz QQGZXRCHDUGAMK-UHFFFAOYSA-N 1 2 297.318 2.246 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1snc(Cl)c1C#N)C2 ZINC000896660426 630624255 /nfs/dbraw/zinc/62/42/55/630624255.db2.gz ZWYDYYDJXZZFSJ-UHFFFAOYSA-N 1 2 293.783 2.447 20 30 CEEDLO C#C[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)C(C)C ZINC000798522135 630885512 /nfs/dbraw/zinc/88/55/12/630885512.db2.gz BQQWNJKAMGNOMY-ZDUSSCGKSA-N 1 2 289.379 2.164 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCCN12 ZINC000799463763 631029183 /nfs/dbraw/zinc/02/91/83/631029183.db2.gz IWNMJRWYBDONPQ-ZDUSSCGKSA-N 1 2 288.307 2.148 20 30 CEEDLO O=C1C=C([NH2+]Nc2cc(F)c(F)c(F)c2)[C@@H]2CCCN12 ZINC000799482605 631031590 /nfs/dbraw/zinc/03/15/90/631031590.db2.gz 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/nfs/dbraw/zinc/40/18/80/631401880.db2.gz CGGJOZXKFVLDHM-JKSUJKDBSA-N 1 2 283.375 2.206 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839957438 631401881 /nfs/dbraw/zinc/40/18/81/631401881.db2.gz CGGJOZXKFVLDHM-JKSUJKDBSA-N 1 2 283.375 2.206 20 30 CEEDLO C[C@H]1CN(C[N@H+](C)Cc2cccc(C#N)c2)C(=O)[C@H]1C ZINC000839958458 631402642 /nfs/dbraw/zinc/40/26/42/631402642.db2.gz HBQCVFPOAWMRME-STQMWFEESA-N 1 2 271.364 2.062 20 30 CEEDLO C[C@H]1CN(C[N@@H+](C)Cc2cccc(C#N)c2)C(=O)[C@H]1C ZINC000839958458 631402644 /nfs/dbraw/zinc/40/26/44/631402644.db2.gz HBQCVFPOAWMRME-STQMWFEESA-N 1 2 271.364 2.062 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000802647664 631439545 /nfs/dbraw/zinc/43/95/45/631439545.db2.gz CPNTWLQFZKLUCB-UHFFFAOYSA-N 1 2 257.717 2.471 20 30 CEEDLO Cn1cc[nH+]c1CCCOC(=O)/C=C\c1ccccc1C#N ZINC000802783129 631458980 /nfs/dbraw/zinc/45/89/80/631458980.db2.gz GBEPMNXPBNUSQG-HJWRWDBZSA-N 1 2 295.342 2.481 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](C)[C@@H](C)C1=O ZINC000840040533 631664883 /nfs/dbraw/zinc/66/48/83/631664883.db2.gz FTGWQSKZAPKHCQ-UONOGXRCSA-N 1 2 276.380 2.382 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](C)[C@@H](C)C1=O ZINC000840040533 631664888 /nfs/dbraw/zinc/66/48/88/631664888.db2.gz FTGWQSKZAPKHCQ-UONOGXRCSA-N 1 2 276.380 2.382 20 30 CEEDLO CCCCNc1cc(NCc2ccc(C#N)cn2)nc(N)[nH+]1 ZINC000804631015 631716799 /nfs/dbraw/zinc/71/67/99/631716799.db2.gz MRFSHXKUPYMOQG-UHFFFAOYSA-N 1 2 297.366 2.150 20 30 CEEDLO CCCCNc1cc(NCc2ccc(C#N)cn2)[nH+]c(N)n1 ZINC000804631015 631716802 /nfs/dbraw/zinc/71/68/02/631716802.db2.gz MRFSHXKUPYMOQG-UHFFFAOYSA-N 1 2 297.366 2.150 20 30 CEEDLO C#Cc1cncc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000806751793 631771106 /nfs/dbraw/zinc/77/11/06/631771106.db2.gz QUTGMVCBTCFYIQ-UHFFFAOYSA-N 1 2 276.299 2.271 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897590971 631801049 /nfs/dbraw/zinc/80/10/49/631801049.db2.gz FSOGDHZXNLEHPT-INIZCTEOSA-N 1 2 282.347 2.163 20 30 CEEDLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897590971 631801053 /nfs/dbraw/zinc/80/10/53/631801053.db2.gz FSOGDHZXNLEHPT-INIZCTEOSA-N 1 2 282.347 2.163 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897590972 631801468 /nfs/dbraw/zinc/80/14/68/631801468.db2.gz FSOGDHZXNLEHPT-MRXNPFEDSA-N 1 2 282.347 2.163 20 30 CEEDLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897590972 631801472 /nfs/dbraw/zinc/80/14/72/631801472.db2.gz FSOGDHZXNLEHPT-MRXNPFEDSA-N 1 2 282.347 2.163 20 30 CEEDLO COC(=O)c1cc(C[NH2+]Cc2nc(C#N)cs2)cs1 ZINC000897626774 631835167 /nfs/dbraw/zinc/83/51/67/631835167.db2.gz VIWXKLVUNLTPSU-UHFFFAOYSA-N 1 2 293.373 2.153 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@](C)(COC)C2)c1=S ZINC000840105553 631858835 /nfs/dbraw/zinc/85/88/35/631858835.db2.gz FYYDSYPBGRBMRJ-AWEZNQCLSA-N 1 2 296.440 2.224 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@](C)(COC)C2)c1=S ZINC000840105553 631858839 /nfs/dbraw/zinc/85/88/39/631858839.db2.gz FYYDSYPBGRBMRJ-AWEZNQCLSA-N 1 2 296.440 2.224 20 30 CEEDLO C=C1CCC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000897729759 631905675 /nfs/dbraw/zinc/90/56/75/631905675.db2.gz FKAKYZXCVHYPCA-ZDUSSCGKSA-N 1 2 259.353 2.061 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898192185 632106754 /nfs/dbraw/zinc/10/67/54/632106754.db2.gz CZNGHWYLBWDLAS-GJZGRUSLSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898192185 632106760 /nfs/dbraw/zinc/10/67/60/632106760.db2.gz CZNGHWYLBWDLAS-GJZGRUSLSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000898194679 632109432 /nfs/dbraw/zinc/10/94/32/632109432.db2.gz MVCMEJKXFSJUGZ-LSDHHAIUSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000898194679 632109440 /nfs/dbraw/zinc/10/94/40/632109440.db2.gz MVCMEJKXFSJUGZ-LSDHHAIUSA-N 1 2 265.328 2.156 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)cc1 ZINC000809698855 632130257 /nfs/dbraw/zinc/13/02/57/632130257.db2.gz HPMOOTVBMHHKLG-AXHNFQJDSA-N 1 2 275.417 2.399 20 30 CEEDLO C#Cc1ccc(C[N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)cc1 ZINC000809698855 632130261 /nfs/dbraw/zinc/13/02/61/632130261.db2.gz HPMOOTVBMHHKLG-AXHNFQJDSA-N 1 2 275.417 2.399 20 30 CEEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cn2c(n1)CCCC2 ZINC000905074865 635813773 /nfs/dbraw/zinc/81/37/73/635813773.db2.gz PXOSPPARXOWFKD-VOTSOKGWSA-N 1 2 270.336 2.332 20 30 CEEDLO C=CCCOCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927093226 632458233 /nfs/dbraw/zinc/45/82/33/632458233.db2.gz DGIVKBVTJOUZHH-UHFFFAOYSA-N 1 2 289.379 2.077 20 30 CEEDLO C=CCCSCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000898660928 632574221 /nfs/dbraw/zinc/57/42/21/632574221.db2.gz BNGWKDIKPCISTB-UHFFFAOYSA-N 1 2 281.425 2.352 20 30 CEEDLO C=C1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000898704252 632581425 /nfs/dbraw/zinc/58/14/25/632581425.db2.gz QWGCDNBWCLOOFT-CQSZACIVSA-N 1 2 267.332 2.330 20 30 CEEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccnn1CC1CCC1 ZINC000899412981 632843141 /nfs/dbraw/zinc/84/31/41/632843141.db2.gz LUQSGMPXXMGQCI-WAYWQWQTSA-N 1 2 270.336 2.313 20 30 CEEDLO C#CCCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900872286 633872291 /nfs/dbraw/zinc/87/22/91/633872291.db2.gz XUYAUGIQAVNQSE-UHFFFAOYSA-N 1 2 296.374 2.138 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)nn1 ZINC000818347889 633915473 /nfs/dbraw/zinc/91/54/73/633915473.db2.gz WNLQUJZFYASXOX-SNVBAGLBSA-N 1 2 276.315 2.160 20 30 CEEDLO Cn1nccc1N[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000901220006 633995419 /nfs/dbraw/zinc/99/54/19/633995419.db2.gz GIIGJTXILOXVJT-UHFFFAOYSA-N 1 2 290.396 2.247 20 30 CEEDLO C[C@@H]1Cc2cc(C=NNCCCn3cc[nH+]c3)ccc2O1 ZINC000901260944 634025186 /nfs/dbraw/zinc/02/51/86/634025186.db2.gz ABBIPQIHGWHSKI-CYBMUJFWSA-N 1 2 284.363 2.220 20 30 CEEDLO Cc1c(C(=O)/C=C\c2c[nH+]cn2C)c(C#N)c2n1CCC2 ZINC000901474068 634123282 /nfs/dbraw/zinc/12/32/82/634123282.db2.gz ULIOHTASCHSQRM-WAYWQWQTSA-N 1 2 280.331 2.244 20 30 CEEDLO COCCOc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901458917 634132556 /nfs/dbraw/zinc/13/25/56/634132556.db2.gz KFQBHACHSALQFJ-VMPITWQZSA-N 1 2 286.331 2.341 20 30 CEEDLO C=CC[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C(=O)OC ZINC000901656271 634233358 /nfs/dbraw/zinc/23/33/58/634233358.db2.gz XMLJXDSBEZQRLO-OLZOCXBDSA-N 1 2 269.385 2.289 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC000901678043 634243951 /nfs/dbraw/zinc/24/39/51/634243951.db2.gz BPQAWUCWFVAMDZ-CQSZACIVSA-N 1 2 289.379 2.059 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(OCC#N)c1 ZINC000822400637 634910811 /nfs/dbraw/zinc/91/08/11/634910811.db2.gz OSLIBTSNBCVXMX-ZIAGYGMSSA-N 1 2 296.330 2.065 20 30 CEEDLO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000903015578 634926444 /nfs/dbraw/zinc/92/64/44/634926444.db2.gz GLELWNRIRKWDMR-CYBMUJFWSA-N 1 2 272.396 2.478 20 30 CEEDLO COc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c(OC)n1 ZINC000902995414 634928381 /nfs/dbraw/zinc/92/83/81/634928381.db2.gz CGEYGCLVFQSFRG-LLVKDONJSA-N 1 2 298.346 2.216 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000823255055 635114309 /nfs/dbraw/zinc/11/43/09/635114309.db2.gz LTHSDEJXWGUETQ-UKRRQHHQSA-N 1 2 261.369 2.388 20 30 CEEDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(O)Cc1ccc(F)cc1 ZINC000904173446 635492639 /nfs/dbraw/zinc/49/26/39/635492639.db2.gz MRTKOEJVOWLTKJ-GFCCVEGCSA-N 1 2 289.310 2.003 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000824869910 635516043 /nfs/dbraw/zinc/51/60/43/635516043.db2.gz MABWNRRNROKXFO-VXGBXAGGSA-N 1 2 299.296 2.248 20 30 CEEDLO CC(=NN[C@@H]1CCC[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000905478384 636284503 /nfs/dbraw/zinc/28/45/03/636284503.db2.gz GVTDKZUSRKDSOL-HZPDHXFCSA-N 1 2 284.363 2.099 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C(=O)OC ZINC000905757511 636444075 /nfs/dbraw/zinc/44/40/75/636444075.db2.gz SMRYXKSOONHOIT-CYBMUJFWSA-N 1 2 269.291 2.215 20 30 CEEDLO C=CC[C@H]([NH2+]CCCc1ccccc1F)C(=O)OC ZINC000905763729 636450619 /nfs/dbraw/zinc/45/06/19/636450619.db2.gz NMONZJBZHWEACN-AWEZNQCLSA-N 1 2 265.328 2.466 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1sccc1C)C(=O)OC ZINC000905764228 636450667 /nfs/dbraw/zinc/45/06/67/636450667.db2.gz WOWHJYSRRZZACI-NSHDSACASA-N 1 2 253.367 2.306 20 30 CEEDLO C=CC[C@H]([NH2+]C[C@@H](C)c1nc(C)cs1)C(=O)OC ZINC000905765621 636451813 /nfs/dbraw/zinc/45/18/13/636451813.db2.gz QGMTVJJBQBFSPE-KOLCDFICSA-N 1 2 268.382 2.262 20 30 CEEDLO C=CC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C(=O)OC ZINC000905768952 636454940 /nfs/dbraw/zinc/45/49/40/636454940.db2.gz YDBBELKAACVKQK-LVQVYYBASA-N 1 2 271.360 2.280 20 30 CEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000828406017 636588378 /nfs/dbraw/zinc/58/83/78/636588378.db2.gz TZNLJVRIAULSNU-LBPRGKRZSA-N 1 2 270.254 2.086 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906198788 636658353 /nfs/dbraw/zinc/65/83/53/636658353.db2.gz JMRKDXHKQLYJFG-WOICTCIZSA-N 1 2 286.379 2.108 20 30 CEEDLO C#CC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000830329916 637038805 /nfs/dbraw/zinc/03/88/05/637038805.db2.gz LWTHXMLBTVPULO-UHFFFAOYSA-N 1 2 278.302 2.249 20 30 CEEDLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(C)c1C#N ZINC000907525289 637040870 /nfs/dbraw/zinc/04/08/70/637040870.db2.gz KQIHSGUSRWJEIS-AWEZNQCLSA-N 1 2 294.358 2.116 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(C#N)ccc2F)C1 ZINC000831209776 637254909 /nfs/dbraw/zinc/25/49/09/637254909.db2.gz LBHFUOHAUNLOGZ-LBPRGKRZSA-N 1 2 298.321 2.061 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000876559539 650327247 /nfs/dbraw/zinc/32/72/47/650327247.db2.gz BZKRWAZTDSXVIM-HNNXBMFYSA-N 1 2 273.380 2.235 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000876559539 650327249 /nfs/dbraw/zinc/32/72/49/650327249.db2.gz BZKRWAZTDSXVIM-HNNXBMFYSA-N 1 2 273.380 2.235 20 30 CEEDLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000831785667 637434070 /nfs/dbraw/zinc/43/40/70/637434070.db2.gz WGIDHBAVASHLSF-LBPRGKRZSA-N 1 2 282.347 2.085 20 30 CEEDLO Cc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000831785667 637434074 /nfs/dbraw/zinc/43/40/74/637434074.db2.gz WGIDHBAVASHLSF-LBPRGKRZSA-N 1 2 282.347 2.085 20 30 CEEDLO CO[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876610277 650358227 /nfs/dbraw/zinc/35/82/27/650358227.db2.gz UZKFLCIMEAIUPJ-GFCCVEGCSA-N 1 2 265.744 2.217 20 30 CEEDLO CO[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876610277 650358228 /nfs/dbraw/zinc/35/82/28/650358228.db2.gz UZKFLCIMEAIUPJ-GFCCVEGCSA-N 1 2 265.744 2.217 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](Cn2ncsc2=S)C1 ZINC000842629420 640126369 /nfs/dbraw/zinc/12/63/69/640126369.db2.gz MOBGXTZLRFSGAC-JTQLQIEISA-N 1 2 253.396 2.367 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](Cn2ncsc2=S)C1 ZINC000842629420 640126373 /nfs/dbraw/zinc/12/63/73/640126373.db2.gz MOBGXTZLRFSGAC-JTQLQIEISA-N 1 2 253.396 2.367 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)[C@@H]1CCCO1 ZINC000842870144 640210824 /nfs/dbraw/zinc/21/08/24/640210824.db2.gz UGWZQYAIYRFHRI-NOLJZWGESA-N 1 2 273.380 2.051 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000844133123 640613000 /nfs/dbraw/zinc/61/30/00/640613000.db2.gz RMDJSZQKKNNHIS-ZDUSSCGKSA-N 1 2 295.342 2.096 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H]1C ZINC000993680752 640667300 /nfs/dbraw/zinc/66/73/00/640667300.db2.gz WSSJDJUNAWHUML-WCQYABFASA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2C)[C@@H]1C ZINC000993680752 640667302 /nfs/dbraw/zinc/66/73/02/640667302.db2.gz WSSJDJUNAWHUML-WCQYABFASA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001015692466 640688062 /nfs/dbraw/zinc/68/80/62/640688062.db2.gz HBLIAMXWIXFKHL-RYUDHWBXSA-N 1 2 282.771 2.326 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001015692466 640688065 /nfs/dbraw/zinc/68/80/65/640688065.db2.gz HBLIAMXWIXFKHL-RYUDHWBXSA-N 1 2 282.771 2.326 20 30 CEEDLO C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C#N)C1)n1cc[nH+]c1 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N#Cc1ccc([C@@H](O)C[N@H+]2CCC(=O)CC23CCC3)cc1 ZINC000846992982 641513841 /nfs/dbraw/zinc/51/38/41/641513841.db2.gz IOSNFHLOQMOZOK-INIZCTEOSA-N 1 2 284.359 2.179 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000847017970 641523140 /nfs/dbraw/zinc/52/31/40/641523140.db2.gz GKDBDGOHHKCAPJ-GFCCVEGCSA-N 1 2 269.304 2.312 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000847017970 641523148 /nfs/dbraw/zinc/52/31/48/641523148.db2.gz GKDBDGOHHKCAPJ-GFCCVEGCSA-N 1 2 269.304 2.312 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000847023367 641530526 /nfs/dbraw/zinc/53/05/26/641530526.db2.gz LHPMOYMYKMZLRL-ZIAGYGMSSA-N 1 2 281.363 2.069 20 30 CEEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000847023367 641530529 /nfs/dbraw/zinc/53/05/29/641530529.db2.gz LHPMOYMYKMZLRL-ZIAGYGMSSA-N 1 2 281.363 2.069 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC000847037583 641541838 /nfs/dbraw/zinc/54/18/38/641541838.db2.gz YPUBERUHYUVSTG-UHFFFAOYSA-N 1 2 267.760 2.381 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000182614243 641683091 /nfs/dbraw/zinc/68/30/91/641683091.db2.gz QHKQRYGHJXGOSF-STQMWFEESA-N 1 2 293.411 2.199 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000182614243 641683096 /nfs/dbraw/zinc/68/30/96/641683096.db2.gz QHKQRYGHJXGOSF-STQMWFEESA-N 1 2 293.411 2.199 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1c[nH+]cn1C ZINC000847655063 641725073 /nfs/dbraw/zinc/72/50/73/641725073.db2.gz XYGWIUWLJVERAW-LBPRGKRZSA-N 1 2 283.331 2.214 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000847695384 641742120 /nfs/dbraw/zinc/74/21/20/641742120.db2.gz YFEHELSUMZFUMK-CYBMUJFWSA-N 1 2 283.331 2.177 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCCCC#N)C1 ZINC000847956270 641846563 /nfs/dbraw/zinc/84/65/63/641846563.db2.gz HBAAFBKTZGGUQV-CYBMUJFWSA-N 1 2 274.368 2.210 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1c(C)noc1C ZINC000072514733 641930326 /nfs/dbraw/zinc/93/03/26/641930326.db2.gz CWCLLIWXTFZFCV-CYBMUJFWSA-N 1 2 291.395 2.312 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1c(C)noc1C ZINC000072514733 641930331 /nfs/dbraw/zinc/93/03/31/641930331.db2.gz CWCLLIWXTFZFCV-CYBMUJFWSA-N 1 2 291.395 2.312 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000848287850 641953336 /nfs/dbraw/zinc/95/33/36/641953336.db2.gz ZUSUDBWSHWJIIU-HNNXBMFYSA-N 1 2 293.370 2.417 20 30 CEEDLO C[C@]1(CN=NCCCn2cc[nH+]c2)CCCS1 ZINC000848416844 641985191 /nfs/dbraw/zinc/98/51/91/641985191.db2.gz AKWXVTMPFNCBDX-GFCCVEGCSA-N 1 2 252.387 2.134 20 30 CEEDLO Brc1ccc(C=NNCCCn2cc[nH+]c2)o1 ZINC000848416953 641985078 /nfs/dbraw/zinc/98/50/78/641985078.db2.gz FONWXIKTYBXNNI-UHFFFAOYSA-N 1 2 297.156 2.252 20 30 CEEDLO CC(=[NH+]NCCCn1ccnc1)c1cc(N)ccc1F ZINC000848416362 641985189 /nfs/dbraw/zinc/98/51/89/641985189.db2.gz IUYJUHBSGVNFFG-UHFFFAOYSA-N 1 2 275.331 2.008 20 30 CEEDLO CC(C)(O)c1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848417074 641985850 /nfs/dbraw/zinc/98/58/50/641985850.db2.gz KCCLUQHGENBJQF-UHFFFAOYSA-N 1 2 286.379 2.124 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)C1SC=CC1=O ZINC000848417056 641985926 /nfs/dbraw/zinc/98/59/26/641985926.db2.gz JCJWBWAJKFYKQR-UHFFFAOYSA-N 1 2 264.354 2.054 20 30 CEEDLO CCn1nc(C=NNCCCn2cc[nH+]c2)c2ccccc21 ZINC000848417096 641986145 /nfs/dbraw/zinc/98/61/45/641986145.db2.gz KPAUBEWORUOAEX-UHFFFAOYSA-N 1 2 296.378 2.267 20 30 CEEDLO COc1cc(C(C)=NNCCCn2cc[nH+]c2)ccc1O ZINC000848419527 641988042 /nfs/dbraw/zinc/98/80/42/641988042.db2.gz WPVIHWVLIMVHCH-UHFFFAOYSA-N 1 2 288.351 2.001 20 30 CEEDLO C[C@@H](CC/N=C/c1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000849170180 642277333 /nfs/dbraw/zinc/27/73/33/642277333.db2.gz MAQQHLXWTIJWQN-RSYJBZMQSA-N 1 2 265.313 2.060 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@H](COC)OC)c1 ZINC000849169663 642277510 /nfs/dbraw/zinc/27/75/10/642277510.db2.gz FWMKMMJWEJCZRV-DWKHYPNZSA-N 1 2 281.352 2.261 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CC[C@H](COC)OC)c(O)c1 ZINC000849169790 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Cc1nccnc1CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866362404 647755505 /nfs/dbraw/zinc/75/55/05/647755505.db2.gz FBJWQYUIWJNLSV-LLVKDONJSA-N 1 2 282.347 2.256 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C#N)c1O ZINC000866367091 647759754 /nfs/dbraw/zinc/75/97/54/647759754.db2.gz WDEAJVPUUMATPZ-MFKMUULPSA-N 1 2 268.320 2.256 20 30 CEEDLO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C#N)c1O ZINC000866389399 647769173 /nfs/dbraw/zinc/76/91/73/647769173.db2.gz GKOHUZVEOCRXRN-AAEUAGOBSA-N 1 2 274.364 2.323 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C#N)c1O ZINC000866388589 647769688 /nfs/dbraw/zinc/76/96/88/647769688.db2.gz LBPWOAGYQLBKOG-MNOVXSKESA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000784449654 647850925 /nfs/dbraw/zinc/85/09/25/647850925.db2.gz GQRYQNWUYLMDGY-HUUCEWRRSA-N 1 2 262.328 2.485 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000784449654 647850928 /nfs/dbraw/zinc/85/09/28/647850928.db2.gz GQRYQNWUYLMDGY-HUUCEWRRSA-N 1 2 262.328 2.485 20 30 CEEDLO N#Cc1ccc(C2(C(=O)OCCCn3cc[nH+]c3)CC2)cc1 ZINC000784843874 647886005 /nfs/dbraw/zinc/88/60/05/647886005.db2.gz GIMPBLWMOWASQE-UHFFFAOYSA-N 1 2 295.342 2.420 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2ccc(F)cn2)cc1 ZINC000786743474 648041694 /nfs/dbraw/zinc/04/16/94/648041694.db2.gz SIWYFYNTUYKLJX-UHFFFAOYSA-N 1 2 275.283 2.066 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cc(Br)ccc1O ZINC000790300102 648403532 /nfs/dbraw/zinc/40/35/32/648403532.db2.gz RCCKXVWDIWJFPT-UHFFFAOYSA-N 1 2 295.140 2.334 20 30 CEEDLO COc1ccc(C=NNc2[nH+]ccn2C)c(OC(F)F)c1 ZINC000790302305 648404386 /nfs/dbraw/zinc/40/43/86/648404386.db2.gz OYIFVGCTIWZCQU-UHFFFAOYSA-N 1 2 296.277 2.476 20 30 CEEDLO Oc1cccc(/C=N\Cc2c[nH+]c3n2CCCC3)c1O ZINC000790575216 648432647 /nfs/dbraw/zinc/43/26/47/648432647.db2.gz QDVIMVUFZJABGI-PXNMLYILSA-N 1 2 271.320 2.250 20 30 CEEDLO Cn1c[nH+]cc1COC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000870219831 648732379 /nfs/dbraw/zinc/73/23/79/648732379.db2.gz 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/nfs/dbraw/zinc/15/72/74/649157274.db2.gz KDFANHKODJKIBE-UHFFFAOYSA-N 1 2 290.298 2.313 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1cccc(O)c1F)[C@H]1CCCO1 ZINC000872064452 649258891 /nfs/dbraw/zinc/25/88/91/649258891.db2.gz YUAREOSDLZGSEE-VHRBIJSZSA-N 1 2 263.312 2.363 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872599989 649436134 /nfs/dbraw/zinc/43/61/34/649436134.db2.gz FDJPRDSURVUVQW-OAHLLOKOSA-N 1 2 262.328 2.001 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872599989 649436135 /nfs/dbraw/zinc/43/61/35/649436135.db2.gz FDJPRDSURVUVQW-OAHLLOKOSA-N 1 2 262.328 2.001 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000874342719 649764364 /nfs/dbraw/zinc/76/43/64/649764364.db2.gz HQSOBCHDRDCWKT-ZIAGYGMSSA-N 1 2 265.316 2.158 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000874342719 649764365 /nfs/dbraw/zinc/76/43/65/649764365.db2.gz HQSOBCHDRDCWKT-ZIAGYGMSSA-N 1 2 265.316 2.158 20 30 CEEDLO Cc1ccc2c(C[NH2+][C@@H](C)CC#N)cc(=O)oc2c1 ZINC000878817194 651192143 /nfs/dbraw/zinc/19/21/43/651192143.db2.gz CDRAGCILZYIJDB-NSHDSACASA-N 1 2 256.305 2.493 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CC1 ZINC000879226031 651264795 /nfs/dbraw/zinc/26/47/95/651264795.db2.gz IVBYATITIOSQQN-VXGBXAGGSA-N 1 2 279.384 2.278 20 30 CEEDLO C#C[C@H](C)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000879716581 651343038 /nfs/dbraw/zinc/34/30/38/651343038.db2.gz OKGFXIPWTOMBEQ-NSHDSACASA-N 1 2 282.347 2.444 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445753 651442613 /nfs/dbraw/zinc/44/26/13/651442613.db2.gz OSTBRDSUXLMRTD-AWEZNQCLSA-N 1 2 253.292 2.260 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445753 651442614 /nfs/dbraw/zinc/44/26/14/651442614.db2.gz OSTBRDSUXLMRTD-AWEZNQCLSA-N 1 2 253.292 2.260 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000880478842 651447954 /nfs/dbraw/zinc/44/79/54/651447954.db2.gz LDPVUWLVDHRNPX-UHFFFAOYSA-N 1 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BGCAPHUVMKGBJI-BETUJISGSA-N 1 2 268.376 2.233 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029419428 805792796 /nfs/dbraw/zinc/79/27/96/805792796.db2.gz BGCAPHUVMKGBJI-BETUJISGSA-N 1 2 268.376 2.233 20 30 CEEDLO CCc1nc(C#N)c(C#N)nc1NCc1c[nH+]cn1C(C)C ZINC001161569960 806538643 /nfs/dbraw/zinc/53/86/43/806538643.db2.gz RSXOUDNHJZVMPI-UHFFFAOYSA-N 1 2 295.350 2.172 20 30 CEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105528823 806596905 /nfs/dbraw/zinc/59/69/05/806596905.db2.gz XJPRCRDUTWSXSE-STQMWFEESA-N 1 2 290.411 2.138 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001038479981 806606489 /nfs/dbraw/zinc/60/64/89/806606489.db2.gz SZNTWLLVRAIOHW-NSHDSACASA-N 1 2 264.394 2.301 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001038479981 806606490 /nfs/dbraw/zinc/60/64/90/806606490.db2.gz SZNTWLLVRAIOHW-NSHDSACASA-N 1 2 264.394 2.301 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)Cc1cnoc1C ZINC001266312059 802427445 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ZINC001266479659 802623224 /nfs/dbraw/zinc/62/32/24/802623224.db2.gz AESKTXLWPVUMDU-CQSZACIVSA-N 1 2 291.395 2.420 20 30 CEEDLO C=CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nocc1C ZINC001266479659 802623229 /nfs/dbraw/zinc/62/32/29/802623229.db2.gz AESKTXLWPVUMDU-CQSZACIVSA-N 1 2 291.395 2.420 20 30 CEEDLO C=C(C)CCC(=O)N(C)CC[NH2+]Cc1ncc(CC)o1 ZINC001266713845 802860236 /nfs/dbraw/zinc/86/02/36/802860236.db2.gz SOKQJIQGFRARMU-UHFFFAOYSA-N 1 2 279.384 2.141 20 30 CEEDLO C#Cc1cc(Nc2ccccc2OCOC)cc[nH+]1 ZINC001211551833 803172468 /nfs/dbraw/zinc/17/24/68/803172468.db2.gz CQWPGAYJSIMOMT-UHFFFAOYSA-N 1 2 254.289 2.211 20 30 CEEDLO N#CCc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N)c2)c1 ZINC001167616469 803202831 /nfs/dbraw/zinc/20/28/31/803202831.db2.gz IYHFRUJDOQMIBA-UHFFFAOYSA-N 1 2 283.291 2.250 20 30 CEEDLO N#Cc1ccc(Cl)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167619335 803207322 /nfs/dbraw/zinc/20/73/22/803207322.db2.gz YVMBRXNHYZMMFJ-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO Cc1c(F)cc(F)cc1C[NH+]1CCN(CCC#N)CC1 ZINC001143764553 813871993 /nfs/dbraw/zinc/87/19/93/813871993.db2.gz SQKBQQCBFOPXQA-UHFFFAOYSA-N 1 2 279.334 2.305 20 30 CEEDLO Cc1nc(N[C@@H]2CCC[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001098620948 803844713 /nfs/dbraw/zinc/84/47/13/803844713.db2.gz JVEJJOANUARHDO-CABCVRRESA-N 1 2 298.390 2.038 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1CC ZINC001027800173 804262445 /nfs/dbraw/zinc/26/24/45/804262445.db2.gz DDUCFJXTFCHSMQ-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1CC ZINC001027800173 804262453 /nfs/dbraw/zinc/26/24/53/804262453.db2.gz DDUCFJXTFCHSMQ-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccncc1F ZINC001027795757 804262782 /nfs/dbraw/zinc/26/27/82/804262782.db2.gz BWOIXIMXMDPJDK-NSHDSACASA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccncc1F ZINC001027795757 804262791 /nfs/dbraw/zinc/26/27/91/804262791.db2.gz BWOIXIMXMDPJDK-NSHDSACASA-N 1 2 297.761 2.167 20 30 CEEDLO 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RKZBTHNSNJCSNZ-MCIONIFRSA-N 1 2 293.798 2.113 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C)c1)C2 ZINC001096952005 812304930 /nfs/dbraw/zinc/30/49/30/812304930.db2.gz RKZBTHNSNJCSNZ-MCIONIFRSA-N 1 2 293.798 2.113 20 30 CEEDLO Cc1nc2c(ccn2C)c(NCC(C)(C)S)[nH+]1 ZINC001170302875 812379906 /nfs/dbraw/zinc/37/99/06/812379906.db2.gz XSJDJNADCCVVDY-UHFFFAOYSA-N 1 2 250.371 2.397 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccsn2)CC1 ZINC001000826349 812762117 /nfs/dbraw/zinc/76/21/17/812762117.db2.gz WJCXIUVBUDOCLU-UHFFFAOYSA-N 1 2 297.811 2.258 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccsn2)CC1 ZINC001000826349 812762121 /nfs/dbraw/zinc/76/21/21/812762121.db2.gz WJCXIUVBUDOCLU-UHFFFAOYSA-N 1 2 297.811 2.258 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001056997625 812763487 /nfs/dbraw/zinc/76/34/87/812763487.db2.gz GCGPTJIZJIZXCB-CYBMUJFWSA-N 1 2 288.395 2.034 20 30 CEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132569431 812893840 /nfs/dbraw/zinc/89/38/40/812893840.db2.gz RHWSATFNYVHSLW-NEPJUHHUSA-N 1 2 291.395 2.216 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001133381242 813043976 /nfs/dbraw/zinc/04/39/76/813043976.db2.gz ZJAMXBOPEGMNMO-WFASDCNBSA-N 1 2 279.384 2.352 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)C)CC[C@H]1C ZINC001071358673 813376450 /nfs/dbraw/zinc/37/64/50/813376450.db2.gz IYOYYPPTOSOOQB-NEPJUHHUSA-N 1 2 258.793 2.364 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)C)CC[C@H]1C ZINC001071358673 813376456 /nfs/dbraw/zinc/37/64/56/813376456.db2.gz IYOYYPPTOSOOQB-NEPJUHHUSA-N 1 2 258.793 2.364 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2=CCOCC2)CC[C@@H]1C ZINC001071457347 813412135 /nfs/dbraw/zinc/41/21/35/813412135.db2.gz IIDFYKUGQSIYAB-GXTWGEPZSA-N 1 2 298.814 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2=CCOCC2)CC[C@@H]1C ZINC001071457347 813412136 /nfs/dbraw/zinc/41/21/36/813412136.db2.gz IIDFYKUGQSIYAB-GXTWGEPZSA-N 1 2 298.814 2.055 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]cnc2C)CC[C@H]1C ZINC001072120462 813547292 /nfs/dbraw/zinc/54/72/92/813547292.db2.gz UQRXOYCQROADSE-ZYHUDNBSSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]cnc2C)CC[C@H]1C ZINC001072120462 813547298 /nfs/dbraw/zinc/54/72/98/813547298.db2.gz UQRXOYCQROADSE-ZYHUDNBSSA-N 1 2 296.802 2.053 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc(CC)n1 ZINC001171072344 813802822 /nfs/dbraw/zinc/80/28/22/813802822.db2.gz JSMJGSGLQYGMES-AWEZNQCLSA-N 1 2 291.395 2.283 20 30 CEEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)CC1 ZINC001074329076 813826345 /nfs/dbraw/zinc/82/63/45/813826345.db2.gz GBBKTTFYIAZGPC-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)CC1 ZINC001074329076 813826357 /nfs/dbraw/zinc/82/63/57/813826357.db2.gz GBBKTTFYIAZGPC-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099617080 814017182 /nfs/dbraw/zinc/01/71/82/814017182.db2.gz PPZLACSZSJNFII-LLVKDONJSA-N 1 2 276.384 2.304 20 30 CEEDLO Cc1cc2nc(NC(=[NH2+])c3ccc(C(N)=O)cc3)ccc2[nH]1 ZINC001171253402 814230249 /nfs/dbraw/zinc/23/02/49/814230249.db2.gz RDTRUGZATJZZBD-UHFFFAOYSA-N 1 2 293.330 2.007 20 30 CEEDLO C=CCCC(=O)N(C)[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115490226 814716857 /nfs/dbraw/zinc/71/68/57/814716857.db2.gz QJGPSDDMLSKMGL-CQSZACIVSA-N 1 2 288.395 2.400 20 30 CEEDLO C=CCOC1CCC([N@@H+]2CCNCC(F)(F)C2)CC1 ZINC001173321821 815672982 /nfs/dbraw/zinc/67/29/82/815672982.db2.gz QBUKUJJARPDZOF-UHFFFAOYSA-N 1 2 274.355 2.041 20 30 CEEDLO C=CCOC1CCC([N@H+]2CCNCC(F)(F)C2)CC1 ZINC001173321821 815672988 /nfs/dbraw/zinc/67/29/88/815672988.db2.gz QBUKUJJARPDZOF-UHFFFAOYSA-N 1 2 274.355 2.041 20 30 CEEDLO C=CCOC1CCC(N2CC[NH2+]CC(F)(F)C2)CC1 ZINC001173321821 815672990 /nfs/dbraw/zinc/67/29/90/815672990.db2.gz QBUKUJJARPDZOF-UHFFFAOYSA-N 1 2 274.355 2.041 20 30 CEEDLO C#CCOc1ccc(C[N@H+](CC)CCC#N)cc1OC ZINC001138345598 815770919 /nfs/dbraw/zinc/77/09/19/815770919.db2.gz KGDLTFVSMAOHOP-UHFFFAOYSA-N 1 2 272.348 2.443 20 30 CEEDLO C#CCOc1ccc(C[N@@H+](CC)CCC#N)cc1OC ZINC001138345598 815770927 /nfs/dbraw/zinc/77/09/27/815770927.db2.gz KGDLTFVSMAOHOP-UHFFFAOYSA-N 1 2 272.348 2.443 20 30 CEEDLO C#CC[NH+]1CCN(Cc2[nH]c3ccccc3c2C)CC1 ZINC001138400065 815791343 /nfs/dbraw/zinc/79/13/43/815791343.db2.gz LMHGTQWKHUXUAJ-UHFFFAOYSA-N 1 2 267.376 2.227 20 30 CEEDLO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138662323 815864968 /nfs/dbraw/zinc/86/49/68/815864968.db2.gz UIWIOXCGLWNNHK-UONOGXRCSA-N 1 2 265.328 2.156 20 30 CEEDLO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001138662323 815864975 /nfs/dbraw/zinc/86/49/75/815864975.db2.gz UIWIOXCGLWNNHK-UONOGXRCSA-N 1 2 265.328 2.156 20 30 CEEDLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2c1cccc2C#N ZINC001139707884 816091226 /nfs/dbraw/zinc/09/12/26/816091226.db2.gz XBQGHPXDLLIIJL-UHFFFAOYSA-N 1 2 271.320 2.034 20 30 CEEDLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2c1cccc2C#N ZINC001139707884 816091232 /nfs/dbraw/zinc/09/12/32/816091232.db2.gz XBQGHPXDLLIIJL-UHFFFAOYSA-N 1 2 271.320 2.034 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1C#N ZINC001139723056 816095147 /nfs/dbraw/zinc/09/51/47/816095147.db2.gz PVQHNEZTLUMFHL-GJZGRUSLSA-N 1 2 280.318 2.111 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1C#N ZINC001139723056 816095152 /nfs/dbraw/zinc/09/51/52/816095152.db2.gz PVQHNEZTLUMFHL-GJZGRUSLSA-N 1 2 280.318 2.111 20 30 CEEDLO CN(C)c1ccc(Nc2c(N)cccc2C#N)c[nH+]1 ZINC001175345773 816168652 /nfs/dbraw/zinc/16/86/52/816168652.db2.gz HIDQXHJHQRAXNH-UHFFFAOYSA-N 1 2 253.309 2.345 20 30 CEEDLO CSc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(N)n1 ZINC001140252189 816218071 /nfs/dbraw/zinc/21/80/71/816218071.db2.gz GETYEGMFYGAGAT-WLLOZRIZSA-N 1 2 289.408 2.047 20 30 CEEDLO CSc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(N)n1 ZINC001140252189 816218077 /nfs/dbraw/zinc/21/80/77/816218077.db2.gz GETYEGMFYGAGAT-WLLOZRIZSA-N 1 2 289.408 2.047 20 30 CEEDLO N#Cc1cccc(C[NH+]2CC3(C2)CCOC3)c1Cl ZINC001140806526 816365794 /nfs/dbraw/zinc/36/57/94/816365794.db2.gz LZABERKSZAIKON-UHFFFAOYSA-N 1 2 262.740 2.434 20 30 CEEDLO C#Cc1cc(Nc2cc(F)ccc2OCOC)cc[nH+]1 ZINC001176714166 816469012 /nfs/dbraw/zinc/46/90/12/816469012.db2.gz KKJLCRKSWIOIJE-UHFFFAOYSA-N 1 2 272.279 2.350 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001141168069 816495628 /nfs/dbraw/zinc/49/56/28/816495628.db2.gz GMXSRHFLQXEZPK-OAHLLOKOSA-N 1 2 298.321 2.141 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001141168069 816495630 /nfs/dbraw/zinc/49/56/30/816495630.db2.gz GMXSRHFLQXEZPK-OAHLLOKOSA-N 1 2 298.321 2.141 20 30 CEEDLO CC(C)(S)CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176970907 816501843 /nfs/dbraw/zinc/50/18/43/816501843.db2.gz PDRCOKFKXAQRFK-LBPRGKRZSA-N 1 2 293.436 2.123 20 30 CEEDLO N#Cc1ccnc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)c1 ZINC001177613233 816593226 /nfs/dbraw/zinc/59/32/26/816593226.db2.gz TXJABCKNTIBHPE-AWEZNQCLSA-N 1 2 296.330 2.149 20 30 CEEDLO N#Cc1ccnc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)c1 ZINC001177613233 816593237 /nfs/dbraw/zinc/59/32/37/816593237.db2.gz TXJABCKNTIBHPE-AWEZNQCLSA-N 1 2 296.330 2.149 20 30 CEEDLO N#Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC001177616722 816593731 /nfs/dbraw/zinc/59/37/31/816593731.db2.gz TYFRQNHHNBYOQF-CQSZACIVSA-N 1 2 296.330 2.149 20 30 CEEDLO N#Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)n1 ZINC001177616722 816593735 /nfs/dbraw/zinc/59/37/35/816593735.db2.gz TYFRQNHHNBYOQF-CQSZACIVSA-N 1 2 296.330 2.149 20 30 CEEDLO Cc1cc(C#N)c(F)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177996577 816655455 /nfs/dbraw/zinc/65/54/55/816655455.db2.gz HPUFINNWHRSNMD-UHFFFAOYSA-N 1 2 272.283 2.300 20 30 CEEDLO Cc1cc(C#N)c(NC(=O)[C@H]2CC3CC[NH+]2CC3)s1 ZINC001142626771 816695624 /nfs/dbraw/zinc/69/56/24/816695624.db2.gz UXOFFVIIEFLBRJ-GFCCVEGCSA-N 1 2 275.377 2.351 20 30 CEEDLO SC1CC[NH+](Cc2cnc3ccc(Cl)nn23)CC1 ZINC001142997728 816767623 /nfs/dbraw/zinc/76/76/23/816767623.db2.gz VGEZDVZQJWGTAJ-UHFFFAOYSA-N 1 2 282.800 2.277 20 30 CEEDLO C=CCCC(C)(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000620855698 349444630 /nfs/dbraw/zinc/44/46/30/349444630.db2.gz HUXHZCCIRSHHQY-GFCCVEGCSA-N 1 2 261.369 2.307 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCC3)CC2)cc1 ZINC000079298328 343977186 /nfs/dbraw/zinc/97/71/86/343977186.db2.gz FFXQJVFSPBECHZ-UHFFFAOYSA-N 1 2 297.402 2.393 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000124738762 365658763 /nfs/dbraw/zinc/65/87/63/365658763.db2.gz QGLGDVAFFBBPRH-HNNXBMFYSA-N 1 2 275.348 2.389 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000124738762 365658764 /nfs/dbraw/zinc/65/87/64/365658764.db2.gz QGLGDVAFFBBPRH-HNNXBMFYSA-N 1 2 275.348 2.389 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000337827398 214275949 /nfs/dbraw/zinc/27/59/49/214275949.db2.gz RANAHFFFEGNBMX-AWEZNQCLSA-N 1 2 294.358 2.230 20 30 CEEDLO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(=O)OC ZINC000348017245 529420670 /nfs/dbraw/zinc/42/06/70/529420670.db2.gz VGTJRSXJBULAJB-DOMZBBRYSA-N 1 2 274.364 2.430 20 30 CEEDLO COCC#CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000677133010 539189394 /nfs/dbraw/zinc/18/93/94/539189394.db2.gz CGLQIRVCVPQEBE-GDBMZVCRSA-N 1 2 259.349 2.098 20 30 CEEDLO COCC#CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000677133010 539189396 /nfs/dbraw/zinc/18/93/96/539189396.db2.gz CGLQIRVCVPQEBE-GDBMZVCRSA-N 1 2 259.349 2.098 20 30 CEEDLO O=C(N[C@@H]1CCc2ccccc2C1)N1CCn2cc[nH+]c2C1 ZINC000329831118 539254688 /nfs/dbraw/zinc/25/46/88/539254688.db2.gz JZUYRYRGBFCTPN-OAHLLOKOSA-N 1 2 296.374 2.170 20 30 CEEDLO COCC#CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000677817246 539269094 /nfs/dbraw/zinc/26/90/94/539269094.db2.gz JMJPSKKGLXEBHZ-MRXNPFEDSA-N 1 2 259.349 2.018 20 30 CEEDLO COCC#CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000677817246 539269095 /nfs/dbraw/zinc/26/90/95/539269095.db2.gz JMJPSKKGLXEBHZ-MRXNPFEDSA-N 1 2 259.349 2.018 20 30 CEEDLO CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC000329942141 539270099 /nfs/dbraw/zinc/27/00/99/539270099.db2.gz VHVGPBIPJQDLDW-RYUDHWBXSA-N 1 2 251.330 2.256 20 30 CEEDLO CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCCO1 ZINC000329942141 539270100 /nfs/dbraw/zinc/27/01/00/539270100.db2.gz VHVGPBIPJQDLDW-RYUDHWBXSA-N 1 2 251.330 2.256 20 30 CEEDLO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)N(C)CCC#N ZINC000601939701 346933668 /nfs/dbraw/zinc/93/36/68/346933668.db2.gz KYPHRNBGIBFXSG-RISCZKNCSA-N 1 2 295.333 2.186 20 30 CEEDLO C=CCNC(=O)[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000045652438 343486392 /nfs/dbraw/zinc/48/63/92/343486392.db2.gz GZFUCMJTNXAWCN-SNVBAGLBSA-N 1 2 261.350 2.117 20 30 CEEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000332430780 136383954 /nfs/dbraw/zinc/38/39/54/136383954.db2.gz WGCRGSWISZHNJK-CYBMUJFWSA-N 1 2 297.362 2.133 20 30 CEEDLO C[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000134078960 136390716 /nfs/dbraw/zinc/39/07/16/136390716.db2.gz YPBCOPOQMZSLQG-WFASDCNBSA-N 1 2 267.336 2.237 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000128046221 365772303 /nfs/dbraw/zinc/77/23/03/365772303.db2.gz PBBUHZJUGAPZPF-KGLIPLIRSA-N 1 2 288.395 2.083 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000128046221 365772307 /nfs/dbraw/zinc/77/23/07/365772307.db2.gz PBBUHZJUGAPZPF-KGLIPLIRSA-N 1 2 288.395 2.083 20 30 CEEDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)Cn1cc[nH+]c1 ZINC000060380124 343657962 /nfs/dbraw/zinc/65/79/62/343657962.db2.gz NNLSOTOZYDWIHA-LLVKDONJSA-N 1 2 285.307 2.411 20 30 CEEDLO CCn1cc(C[NH2+]Cc2cccc(F)c2C#N)cn1 ZINC000602006553 346956214 /nfs/dbraw/zinc/95/62/14/346956214.db2.gz MURYYZQWKRGCIJ-UHFFFAOYSA-N 1 2 258.300 2.204 20 30 CEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)NC(C)(C)C ZINC000602009957 346957429 /nfs/dbraw/zinc/95/74/29/346957429.db2.gz ZRRKHLPKFMEAKD-SNVBAGLBSA-N 1 2 277.343 2.090 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000066320445 343711222 /nfs/dbraw/zinc/71/12/22/343711222.db2.gz OKXMPOCPRDBZQK-ZDUSSCGKSA-N 1 2 287.363 2.240 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000066470251 343715095 /nfs/dbraw/zinc/71/50/95/343715095.db2.gz VDSSGAPRQNUTKU-OLZOCXBDSA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000066470251 343715097 /nfs/dbraw/zinc/71/50/97/343715097.db2.gz VDSSGAPRQNUTKU-OLZOCXBDSA-N 1 2 265.401 2.163 20 30 CEEDLO N#CCCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000066866657 343723986 /nfs/dbraw/zinc/72/39/86/343723986.db2.gz RFJDDHSFWQQVEZ-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1F ZINC000068354900 343762940 /nfs/dbraw/zinc/76/29/40/343762940.db2.gz NAWOIHAJYKXACO-CQSZACIVSA-N 1 2 294.289 2.468 20 30 CEEDLO CC(C)C[C@H](C(=O)NC1(C#N)CCCC1)n1cc[nH+]c1 ZINC000602092825 346971753 /nfs/dbraw/zinc/97/17/53/346971753.db2.gz ILXSUUOQHOQCJR-CYBMUJFWSA-N 1 2 274.368 2.423 20 30 CEEDLO Cc1cn2ccc(C(=O)NC3(C#N)CCCC3)cc2[nH+]1 ZINC000602092072 346971941 /nfs/dbraw/zinc/97/19/41/346971941.db2.gz CRJDIPJLNSAQEA-UHFFFAOYSA-N 1 2 268.320 2.209 20 30 CEEDLO CCc1c[nH]c(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)[nH+]1 ZINC000602145080 346982229 /nfs/dbraw/zinc/98/22/29/346982229.db2.gz XAJYVPJJZJUXBJ-LBPRGKRZSA-N 1 2 274.368 2.055 20 30 CEEDLO CN(C[C@@H]1CCC[N@@H+]1CCC#N)C(=O)OC(C)(C)C ZINC000076016915 343876415 /nfs/dbraw/zinc/87/64/15/343876415.db2.gz JYLQUUYCYKLZRA-LBPRGKRZSA-N 1 2 267.373 2.231 20 30 CEEDLO CN(C[C@@H]1CCC[N@H+]1CCC#N)C(=O)OC(C)(C)C ZINC000076016915 343876416 /nfs/dbraw/zinc/87/64/16/343876416.db2.gz JYLQUUYCYKLZRA-LBPRGKRZSA-N 1 2 267.373 2.231 20 30 CEEDLO N#CCC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093328642 344220260 /nfs/dbraw/zinc/22/02/60/344220260.db2.gz UFLZUEAUFORECG-LLVKDONJSA-N 1 2 285.269 2.467 20 30 CEEDLO N#CCC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093328642 344220261 /nfs/dbraw/zinc/22/02/61/344220261.db2.gz UFLZUEAUFORECG-LLVKDONJSA-N 1 2 285.269 2.467 20 30 CEEDLO N#CCC[N@H+](CCC[C@H]1CCO1)Cc1ccccn1 ZINC000602464979 347044193 /nfs/dbraw/zinc/04/41/93/347044193.db2.gz IZXDQIXVEVLPRT-HNNXBMFYSA-N 1 2 259.353 2.366 20 30 CEEDLO N#CCC[N@@H+](CCC[C@H]1CCO1)Cc1ccccn1 ZINC000602464979 347044195 /nfs/dbraw/zinc/04/41/95/347044195.db2.gz IZXDQIXVEVLPRT-HNNXBMFYSA-N 1 2 259.353 2.366 20 30 CEEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC000280852615 344674744 /nfs/dbraw/zinc/67/47/44/344674744.db2.gz LKWKSZXRMXZGEM-LLVKDONJSA-N 1 2 268.320 2.091 20 30 CEEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC000280852615 344674746 /nfs/dbraw/zinc/67/47/46/344674746.db2.gz LKWKSZXRMXZGEM-LLVKDONJSA-N 1 2 268.320 2.091 20 30 CEEDLO C[C@@H](CCC#N)C[NH2+]Cc1[nH]ncc1Br ZINC000602549763 347072394 /nfs/dbraw/zinc/07/23/94/347072394.db2.gz DLQHMHYXTAWBBA-QMMMGPOBSA-N 1 2 271.162 2.202 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339185430 344767882 /nfs/dbraw/zinc/76/78/82/344767882.db2.gz KTORQZAMIKJBEI-UHFFFAOYSA-N 1 2 279.271 2.128 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2F)C1=O ZINC000668100341 539414730 /nfs/dbraw/zinc/41/47/30/539414730.db2.gz JJGYROVWEBJJGF-LBPRGKRZSA-N 1 2 298.308 2.323 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)C1=O ZINC000668100341 539414734 /nfs/dbraw/zinc/41/47/34/539414734.db2.gz JJGYROVWEBJJGF-LBPRGKRZSA-N 1 2 298.308 2.323 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C(=S)N=NC1Cc1cccs1 ZINC000491781963 344914399 /nfs/dbraw/zinc/91/43/99/344914399.db2.gz LNSZXEAVUDHTQA-JTQLQIEISA-N 1 2 292.433 2.130 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=S)N=NC1Cc1cccs1 ZINC000491781963 344914400 /nfs/dbraw/zinc/91/44/00/344914400.db2.gz LNSZXEAVUDHTQA-JTQLQIEISA-N 1 2 292.433 2.130 20 30 CEEDLO C[C@@H](OC1CCCCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580837034 344953196 /nfs/dbraw/zinc/95/31/96/344953196.db2.gz OBMQLPCQSSVXTE-CZUORRHYSA-N 1 2 295.427 2.074 20 30 CEEDLO N#CCCCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000588343359 345046512 /nfs/dbraw/zinc/04/65/12/345046512.db2.gz PUYQRAGQJISROZ-UHFFFAOYSA-N 1 2 273.336 2.145 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000054183358 362517671 /nfs/dbraw/zinc/51/76/71/362517671.db2.gz RCVJVUHMKAFQSX-LLVKDONJSA-N 1 2 278.352 2.494 20 30 CEEDLO Cc1ccc(C#N)nc1NCCNc1cccc[nH+]1 ZINC000589103226 345065772 /nfs/dbraw/zinc/06/57/72/345065772.db2.gz HACLMNLOTPZDCI-UHFFFAOYSA-N 1 2 253.309 2.181 20 30 CEEDLO COCC[N@H+](CCC#N)C[C@H](O)[C@H](C)c1ccccc1 ZINC000590698241 345163209 /nfs/dbraw/zinc/16/32/09/345163209.db2.gz XHSSTLIXIWGKAY-ZBFHGGJFSA-N 1 2 276.380 2.013 20 30 CEEDLO COCC[N@@H+](CCC#N)C[C@H](O)[C@H](C)c1ccccc1 ZINC000590698241 345163211 /nfs/dbraw/zinc/16/32/11/345163211.db2.gz XHSSTLIXIWGKAY-ZBFHGGJFSA-N 1 2 276.380 2.013 20 30 CEEDLO N#CC1(CC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000590321565 345128153 /nfs/dbraw/zinc/12/81/53/345128153.db2.gz NAOMIZYWSWNKFJ-UHFFFAOYSA-N 1 2 280.331 2.182 20 30 CEEDLO N#Cc1cnccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000592071499 345319047 /nfs/dbraw/zinc/31/90/47/345319047.db2.gz KDKNAMHOCSZIHB-UHFFFAOYSA-N 1 2 271.364 2.344 20 30 CEEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccncc1C#N ZINC000592083696 345320006 /nfs/dbraw/zinc/32/00/06/345320006.db2.gz FJARAVWUWXTPAX-HNNXBMFYSA-N 1 2 281.363 2.196 20 30 CEEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccncc1C#N ZINC000592083696 345320009 /nfs/dbraw/zinc/32/00/09/345320009.db2.gz FJARAVWUWXTPAX-HNNXBMFYSA-N 1 2 281.363 2.196 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000591477384 345261273 /nfs/dbraw/zinc/26/12/73/345261273.db2.gz XJPNHDSUNREPQZ-RWMBFGLXSA-N 1 2 297.395 2.014 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000591477384 345261274 /nfs/dbraw/zinc/26/12/74/345261274.db2.gz XJPNHDSUNREPQZ-RWMBFGLXSA-N 1 2 297.395 2.014 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000592102080 345322322 /nfs/dbraw/zinc/32/23/22/345322322.db2.gz PILNSYBUMNPDTL-LBPRGKRZSA-N 1 2 267.279 2.157 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000592102080 345322323 /nfs/dbraw/zinc/32/23/23/345322323.db2.gz PILNSYBUMNPDTL-LBPRGKRZSA-N 1 2 267.279 2.157 20 30 CEEDLO Cc1cc(NC[C@@H](C)c2ccncc2)c(C#N)c[nH+]1 ZINC000591821055 345284696 /nfs/dbraw/zinc/28/46/96/345284696.db2.gz IBSCQUAIVTYSRM-LLVKDONJSA-N 1 2 252.321 2.294 20 30 CEEDLO N#CC[C@@]1(O)CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000591972418 345308097 /nfs/dbraw/zinc/30/80/97/345308097.db2.gz CVKODHSOWNNQMA-OAHLLOKOSA-N 1 2 271.295 2.229 20 30 CEEDLO COc1cccc2c1[nH+]cc(C)c2N1CC[C@](O)(CC#N)C1 ZINC000591976883 345309537 /nfs/dbraw/zinc/30/95/37/345309537.db2.gz XUUCEKHDLIRWRG-QGZVFWFLSA-N 1 2 297.358 2.407 20 30 CEEDLO CCCn1c(C[N@@H+]2CC[C@@](O)(CC#N)C2)nc2ccccc21 ZINC000592523394 345366086 /nfs/dbraw/zinc/36/60/86/345366086.db2.gz ZOGSIRFFSFKRNN-KRWDZBQOSA-N 1 2 298.390 2.297 20 30 CEEDLO CCCn1c(C[N@H+]2CC[C@@](O)(CC#N)C2)nc2ccccc21 ZINC000592523394 345366088 /nfs/dbraw/zinc/36/60/88/345366088.db2.gz ZOGSIRFFSFKRNN-KRWDZBQOSA-N 1 2 298.390 2.297 20 30 CEEDLO Cc1cc(F)c(C[N@@H+]2CC[C@](O)(CC#N)C2)c(F)c1 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N#Cc1cccc2c1C[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000593120799 345443534 /nfs/dbraw/zinc/44/35/34/345443534.db2.gz UMNKMANUQJATLX-HNNXBMFYSA-N 1 2 272.348 2.069 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000593120799 345443539 /nfs/dbraw/zinc/44/35/39/345443539.db2.gz UMNKMANUQJATLX-HNNXBMFYSA-N 1 2 272.348 2.069 20 30 CEEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnc2ccccc12 ZINC000593154312 345447989 /nfs/dbraw/zinc/44/79/89/345447989.db2.gz GHMSRQRCULHEFL-QGZVFWFLSA-N 1 2 296.374 2.117 20 30 CEEDLO Cc1cccc([C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593154937 345448164 /nfs/dbraw/zinc/44/81/64/345448164.db2.gz ZXKZCBVQHUAOQD-CJNGLKHVSA-N 1 2 273.380 2.059 20 30 CEEDLO CC[C@H](C#N)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000593493394 345497863 /nfs/dbraw/zinc/49/78/63/345497863.db2.gz OKMOQKWTGKYRRX-UKRRQHHQSA-N 1 2 296.374 2.370 20 30 CEEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000057597976 362588263 /nfs/dbraw/zinc/58/82/63/362588263.db2.gz 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N#Cc1ccc([C@H]([NH2+]CC2(C#N)CCCCC2)C(N)=O)cc1 ZINC000594718527 345678686 /nfs/dbraw/zinc/67/86/86/345678686.db2.gz WGRUVZGEIXGQSE-HNNXBMFYSA-N 1 2 296.374 2.148 20 30 CEEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(=O)[nH]n1 ZINC000595090154 345740655 /nfs/dbraw/zinc/74/06/55/345740655.db2.gz DJRFYAAOHOENSK-NSHDSACASA-N 1 2 260.341 2.307 20 30 CEEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)C ZINC000595391870 345772776 /nfs/dbraw/zinc/77/27/76/345772776.db2.gz GUUXLHZYMFTMIZ-AWEZNQCLSA-N 1 2 274.364 2.278 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1[nH]nc(C)c1C(=O)OCC ZINC000595482736 345793369 /nfs/dbraw/zinc/79/33/69/345793369.db2.gz VLNUMOQSUDIKTF-LBPRGKRZSA-N 1 2 277.368 2.435 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1[nH]nc(C)c1C(=O)OCC ZINC000595482736 345793372 /nfs/dbraw/zinc/79/33/72/345793372.db2.gz VLNUMOQSUDIKTF-LBPRGKRZSA-N 1 2 277.368 2.435 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000595609475 345826252 /nfs/dbraw/zinc/82/62/52/345826252.db2.gz KOQWYEWWRNFGCN-AWEZNQCLSA-N 1 2 292.404 2.086 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000595609475 345826255 /nfs/dbraw/zinc/82/62/55/345826255.db2.gz KOQWYEWWRNFGCN-AWEZNQCLSA-N 1 2 292.404 2.086 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595614699 345827844 /nfs/dbraw/zinc/82/78/44/345827844.db2.gz MPZMGQWINOTREM-VXGBXAGGSA-N 1 2 278.356 2.293 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595614699 345827849 /nfs/dbraw/zinc/82/78/49/345827849.db2.gz MPZMGQWINOTREM-VXGBXAGGSA-N 1 2 278.356 2.293 20 30 CEEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629841 345832721 /nfs/dbraw/zinc/83/27/21/345832721.db2.gz NLRYIUFUUAFCNW-LBPRGKRZSA-N 1 2 299.403 2.293 20 30 CEEDLO N#Cc1cnccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595829594 345888072 /nfs/dbraw/zinc/88/80/72/345888072.db2.gz WMFLPRIJKOULPI-UHFFFAOYSA-N 1 2 268.320 2.321 20 30 CEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833012 345890115 /nfs/dbraw/zinc/89/01/15/345890115.db2.gz DWLGVOHYXBIGKW-XJKSGUPXSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833012 345890116 /nfs/dbraw/zinc/89/01/16/345890116.db2.gz DWLGVOHYXBIGKW-XJKSGUPXSA-N 1 2 277.412 2.402 20 30 CEEDLO COC(=O)c1oc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000595833099 345890774 /nfs/dbraw/zinc/89/07/74/345890774.db2.gz FVLACEZMZLPPHT-CQSZACIVSA-N 1 2 262.309 2.110 20 30 CEEDLO COC(=O)c1oc(C[N@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000595833099 345890778 /nfs/dbraw/zinc/89/07/78/345890778.db2.gz FVLACEZMZLPPHT-CQSZACIVSA-N 1 2 262.309 2.110 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834130 345891586 /nfs/dbraw/zinc/89/15/86/345891586.db2.gz JWBCCZKOFGCJDF-NQKKVCCDSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834130 345891588 /nfs/dbraw/zinc/89/15/88/345891588.db2.gz JWBCCZKOFGCJDF-NQKKVCCDSA-N 1 2 277.412 2.305 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839933 345894641 /nfs/dbraw/zinc/89/46/41/345894641.db2.gz KLVYFZDFAIZMCZ-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839933 345894644 /nfs/dbraw/zinc/89/46/44/345894644.db2.gz KLVYFZDFAIZMCZ-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO CC[N@H+](CCC(=O)N1CCc2ccccc2C1)[C@H](C)C#N ZINC000595821709 345886635 /nfs/dbraw/zinc/88/66/35/345886635.db2.gz ZJYCOJQNEFFPPH-CQSZACIVSA-N 1 2 285.391 2.195 20 30 CEEDLO CC[N@@H+](CCC(=O)N1CCc2ccccc2C1)[C@H](C)C#N ZINC000595821709 345886639 /nfs/dbraw/zinc/88/66/39/345886639.db2.gz ZJYCOJQNEFFPPH-CQSZACIVSA-N 1 2 285.391 2.195 20 30 CEEDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000595850440 345898617 /nfs/dbraw/zinc/89/86/17/345898617.db2.gz RIDDSHQWOPRZTL-VDISTLRHSA-N 1 2 276.311 2.081 20 30 CEEDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000595850440 345898620 /nfs/dbraw/zinc/89/86/20/345898620.db2.gz RIDDSHQWOPRZTL-VDISTLRHSA-N 1 2 276.311 2.081 20 30 CEEDLO N#Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)sc1Cl ZINC000596077373 345934205 /nfs/dbraw/zinc/93/42/05/345934205.db2.gz VLPGDAQKADYYJL-PSASIEDQSA-N 1 2 282.800 2.129 20 30 CEEDLO N#Cc1nc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)sc1Cl ZINC000596077373 345934206 /nfs/dbraw/zinc/93/42/06/345934206.db2.gz VLPGDAQKADYYJL-PSASIEDQSA-N 1 2 282.800 2.129 20 30 CEEDLO C[C@@H](CC#N)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000596578289 346059050 /nfs/dbraw/zinc/05/90/50/346059050.db2.gz CMHMTDVWVPZGHO-JTQLQIEISA-N 1 2 267.292 2.325 20 30 CEEDLO N#CC1(CNc2[nH+]cnc3[nH]ccc32)CCCCC1 ZINC000596500033 346039922 /nfs/dbraw/zinc/03/99/22/346039922.db2.gz YSHAWZMTZIOXFV-UHFFFAOYSA-N 1 2 255.325 2.266 20 30 CEEDLO Cc1cc(N2CCC[C@@H](C(=O)NC(C)C)C2)c(C#N)c[nH+]1 ZINC000596536202 346048921 /nfs/dbraw/zinc/04/89/21/346048921.db2.gz SDDWNAWDOWQMCK-CYBMUJFWSA-N 1 2 286.379 2.003 20 30 CEEDLO Cc1cc(N2CCC[C@H](C(=O)NC(C)C)C2)c(C#N)c[nH+]1 ZINC000596538409 346049387 /nfs/dbraw/zinc/04/93/87/346049387.db2.gz SDDWNAWDOWQMCK-ZDUSSCGKSA-N 1 2 286.379 2.003 20 30 CEEDLO Cc1cn2ccc(NC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2[nH+]1 ZINC000597132032 346132475 /nfs/dbraw/zinc/13/24/75/346132475.db2.gz GALJVJJZTBCYAY-NWDGAFQWSA-N 1 2 283.335 2.457 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)[C@@H](C)CC#N)ccc2n1C ZINC000597319373 346170925 /nfs/dbraw/zinc/17/09/25/346170925.db2.gz NJXVTIDGMZKZKD-VIFPVBQESA-N 1 2 256.309 2.370 20 30 CEEDLO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598586385 346377833 /nfs/dbraw/zinc/37/78/33/346377833.db2.gz SKTFYYFEQQPWNY-CHWSQXEVSA-N 1 2 292.383 2.206 20 30 CEEDLO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598586385 346377836 /nfs/dbraw/zinc/37/78/36/346377836.db2.gz SKTFYYFEQQPWNY-CHWSQXEVSA-N 1 2 292.383 2.206 20 30 CEEDLO CCc1nc([C@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591141 346379244 /nfs/dbraw/zinc/37/92/44/346379244.db2.gz UHEJZTMSUZOQJM-VXGBXAGGSA-N 1 2 292.383 2.070 20 30 CEEDLO CCc1nc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591141 346379248 /nfs/dbraw/zinc/37/92/48/346379248.db2.gz UHEJZTMSUZOQJM-VXGBXAGGSA-N 1 2 292.383 2.070 20 30 CEEDLO CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1c[nH]c[nH+]1 ZINC000598701171 346403193 /nfs/dbraw/zinc/40/31/93/346403193.db2.gz AVLSNFQFPMFIGO-AWEZNQCLSA-N 1 2 294.358 2.363 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC(C2CC2)CC1 ZINC000598836735 346425530 /nfs/dbraw/zinc/42/55/30/346425530.db2.gz QBDNZHZBDRPOKK-ZBCRRDGASA-N 1 2 277.412 2.163 20 30 CEEDLO Cc1noc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599454295 346523452 /nfs/dbraw/zinc/52/34/52/346523452.db2.gz KFFVHWCSJYYPQG-UHFFFAOYSA-N 1 2 256.309 2.190 20 30 CEEDLO Cc1noc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599454295 346523453 /nfs/dbraw/zinc/52/34/53/346523453.db2.gz KFFVHWCSJYYPQG-UHFFFAOYSA-N 1 2 256.309 2.190 20 30 CEEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599429390 346517728 /nfs/dbraw/zinc/51/77/28/346517728.db2.gz NXDZHHJTAQDQTH-MRXNPFEDSA-N 1 2 274.364 2.104 20 30 CEEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599429390 346517731 /nfs/dbraw/zinc/51/77/31/346517731.db2.gz NXDZHHJTAQDQTH-MRXNPFEDSA-N 1 2 274.364 2.104 20 30 CEEDLO C=C[C@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000623263514 349966479 /nfs/dbraw/zinc/96/64/79/349966479.db2.gz PAXICFVXDBDQMC-UKRRQHHQSA-N 1 2 281.359 2.284 20 30 CEEDLO COC(=O)CCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000599308070 346495422 /nfs/dbraw/zinc/49/54/22/346495422.db2.gz QXVDKEPASRTOIZ-UHFFFAOYSA-N 1 2 275.352 2.141 20 30 CEEDLO COC(=O)CCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000599308070 346495423 /nfs/dbraw/zinc/49/54/23/346495423.db2.gz QXVDKEPASRTOIZ-UHFFFAOYSA-N 1 2 275.352 2.141 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1C#N ZINC000599310720 346496694 /nfs/dbraw/zinc/49/66/94/346496694.db2.gz AXGZOWYXSJSHDW-HZPDHXFCSA-N 1 2 283.375 2.110 20 30 CEEDLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1C#N ZINC000599310720 346496695 /nfs/dbraw/zinc/49/66/95/346496695.db2.gz AXGZOWYXSJSHDW-HZPDHXFCSA-N 1 2 283.375 2.110 20 30 CEEDLO COC(=O)c1cnc(C2CC[NH+](CCC#N)CC2)s1 ZINC000599554457 346536267 /nfs/dbraw/zinc/53/62/67/346536267.db2.gz FSYFRGRXDXUQJA-UHFFFAOYSA-N 1 2 279.365 2.023 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599579343 346541531 /nfs/dbraw/zinc/54/15/31/346541531.db2.gz BIZNLXIBMNYSAV-RWMBFGLXSA-N 1 2 297.395 2.014 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599579343 346541533 /nfs/dbraw/zinc/54/15/33/346541533.db2.gz BIZNLXIBMNYSAV-RWMBFGLXSA-N 1 2 297.395 2.014 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cccc(CC#N)c1)CC2 ZINC000599992364 346590246 /nfs/dbraw/zinc/59/02/46/346590246.db2.gz KYCCGTBKCAXZGA-AWEZNQCLSA-N 1 2 294.358 2.459 20 30 CEEDLO Cc1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000600111470 346599296 /nfs/dbraw/zinc/59/92/96/346599296.db2.gz IZQLOVSZYIBXRC-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000600146481 346605754 /nfs/dbraw/zinc/60/57/54/346605754.db2.gz WUIWFUKTRMDBCG-UHFFFAOYSA-N 1 2 273.315 2.046 20 30 CEEDLO CCC(C#N)(CC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000599692137 346568236 /nfs/dbraw/zinc/56/82/36/346568236.db2.gz KSCLPCHBRJSGTP-UHFFFAOYSA-N 1 2 262.357 2.062 20 30 CEEDLO C=C[C@@H]([NH2+]CCc1c(C)[nH]c2ccc(F)cc21)C(=O)OC ZINC000600613359 346662140 /nfs/dbraw/zinc/66/21/40/346662140.db2.gz JEQUFLWOEFVFHV-CQSZACIVSA-N 1 2 290.338 2.475 20 30 CEEDLO N#Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc(C2CC2)n1 ZINC000601113327 346756099 /nfs/dbraw/zinc/75/60/99/346756099.db2.gz DLHLQWOJHBGIDZ-CQSZACIVSA-N 1 2 294.362 2.264 20 30 CEEDLO CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601032240 346735971 /nfs/dbraw/zinc/73/59/71/346735971.db2.gz WEPPZPQHSJFYTM-HNNXBMFYSA-N 1 2 296.374 2.469 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccc(OC)cc1 ZINC000602622497 347107842 /nfs/dbraw/zinc/10/78/42/347107842.db2.gz JCDJNJFGXJLNJW-DOMZBBRYSA-N 1 2 290.363 2.439 20 30 CEEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602647466 347121987 /nfs/dbraw/zinc/12/19/87/347121987.db2.gz KJINMQGRHVSRRN-INIZCTEOSA-N 1 2 281.363 2.414 20 30 CEEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602647466 347121989 /nfs/dbraw/zinc/12/19/89/347121989.db2.gz KJINMQGRHVSRRN-INIZCTEOSA-N 1 2 281.363 2.414 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)C(=O)OCC ZINC000602679549 347140844 /nfs/dbraw/zinc/14/08/44/347140844.db2.gz GXMNHYFRFVHKNM-SRVKXCTJSA-N 1 2 257.399 2.368 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OCC ZINC000602683978 347143657 /nfs/dbraw/zinc/14/36/57/347143657.db2.gz ZDQGOQBAEYSFHQ-AGIUHOORSA-N 1 2 255.358 2.041 20 30 CEEDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cccc(C#N)n2)nn1 ZINC000602693369 347152148 /nfs/dbraw/zinc/15/21/48/347152148.db2.gz GSFPXIRUJWFHOR-UHFFFAOYSA-N 1 2 284.367 2.151 20 30 CEEDLO C=C1CC[NH+](Cc2cnc(C(=O)OCC)s2)CC1 ZINC000602777253 347194463 /nfs/dbraw/zinc/19/44/63/347194463.db2.gz VBESJGLRGUPTAG-UHFFFAOYSA-N 1 2 266.366 2.472 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@H](COC)CC(C)C)C(=O)OC ZINC000602732348 347175973 /nfs/dbraw/zinc/17/59/73/347175973.db2.gz AXGIMNORGHXSQQ-QWHCGFSZSA-N 1 2 257.374 2.145 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccnc(OC)c1)C(=O)OC ZINC000602733026 347176952 /nfs/dbraw/zinc/17/69/52/347176952.db2.gz GYHFHEQKGCGQOF-TZMCWYRMSA-N 1 2 292.379 2.119 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccn(C(C)C)n1)C(=O)OC ZINC000602735400 347178497 /nfs/dbraw/zinc/17/84/97/347178497.db2.gz WNCJJXBQBDFZKU-UKRRQHHQSA-N 1 2 293.411 2.492 20 30 CEEDLO CC(C)(C)CC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602758520 347186945 /nfs/dbraw/zinc/18/69/45/347186945.db2.gz LYERNBYVIPOQPL-UHFFFAOYSA-N 1 2 277.412 2.261 20 30 CEEDLO C[C@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H](C)N1CC#N ZINC000602847751 347223433 /nfs/dbraw/zinc/22/34/33/347223433.db2.gz CTDLTZZAXGWPFW-KBPBESRZSA-N 1 2 289.427 2.056 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(Cl)cn2)C[C@H](C)N1CC#N ZINC000602851430 347224356 /nfs/dbraw/zinc/22/43/56/347224356.db2.gz WBQPWKVXXMJIAS-RYUDHWBXSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](C)N1CC#N ZINC000602854711 347226186 /nfs/dbraw/zinc/22/61/86/347226186.db2.gz QLDQFDAPXGUSQV-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)N1CC#N ZINC000602854711 347226187 /nfs/dbraw/zinc/22/61/87/347226187.db2.gz QLDQFDAPXGUSQV-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCc1ccccc1Cl ZINC000602861749 347228988 /nfs/dbraw/zinc/22/89/88/347228988.db2.gz IAMUPHHDYHGHGP-GHMZBOCLSA-N 1 2 279.771 2.236 20 30 CEEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602861122 347229069 /nfs/dbraw/zinc/22/90/69/347229069.db2.gz FYSQOZKSWCRHLQ-IHRRRGAJSA-N 1 2 273.380 2.453 20 30 CEEDLO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602863611 347230287 /nfs/dbraw/zinc/23/02/87/347230287.db2.gz OTJIUMPQWIDVGS-SNVBAGLBSA-N 1 2 265.744 2.479 20 30 CEEDLO CSc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602868167 347231244 /nfs/dbraw/zinc/23/12/44/347231244.db2.gz HNJHIHAVUQJARG-JTQLQIEISA-N 1 2 263.366 2.239 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N[C@H](C)c1ccccc1 ZINC000602871299 347232851 /nfs/dbraw/zinc/23/28/51/347232851.db2.gz QGMAZMOIPPXNBM-YNEHKIRRSA-N 1 2 259.353 2.144 20 30 CEEDLO N#CCC1(C[N@@H+]2Cc3ccccc3NC(=O)C2)CC1 ZINC000602874717 347234754 /nfs/dbraw/zinc/23/47/54/347234754.db2.gz SHQOMJCGRZSNDO-UHFFFAOYSA-N 1 2 255.321 2.135 20 30 CEEDLO N#CCC1(C[N@H+]2Cc3ccccc3NC(=O)C2)CC1 ZINC000602874717 347234757 /nfs/dbraw/zinc/23/47/57/347234757.db2.gz SHQOMJCGRZSNDO-UHFFFAOYSA-N 1 2 255.321 2.135 20 30 CEEDLO COC(=O)c1coc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000602883116 347237269 /nfs/dbraw/zinc/23/72/69/347237269.db2.gz HUNUYFDPJLHIBY-QWRGUYRKSA-N 1 2 277.324 2.148 20 30 CEEDLO COC(=O)c1coc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000602883116 347237273 /nfs/dbraw/zinc/23/72/73/347237273.db2.gz HUNUYFDPJLHIBY-QWRGUYRKSA-N 1 2 277.324 2.148 20 30 CEEDLO CCCN(CCC)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975208 347260806 /nfs/dbraw/zinc/26/08/06/347260806.db2.gz ZLICQQCBHOWJEK-KGLIPLIRSA-N 1 2 265.401 2.259 20 30 CEEDLO CCCN(CCC)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975208 347260808 /nfs/dbraw/zinc/26/08/08/347260808.db2.gz ZLICQQCBHOWJEK-KGLIPLIRSA-N 1 2 265.401 2.259 20 30 CEEDLO CN(Cc1cn2ccccc2[nH+]1)[C@H]1CCC[C@@H]1C#N ZINC000602976910 347262087 /nfs/dbraw/zinc/26/20/87/347262087.db2.gz VHAHIWLXTUZICZ-OCCSQVGLSA-N 1 2 254.337 2.458 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980513 347264052 /nfs/dbraw/zinc/26/40/52/347264052.db2.gz QTRYERIXMAIVFU-KBPBESRZSA-N 1 2 286.441 2.215 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980513 347264053 /nfs/dbraw/zinc/26/40/53/347264053.db2.gz QTRYERIXMAIVFU-KBPBESRZSA-N 1 2 286.441 2.215 20 30 CEEDLO Cn1cc(-c2cc(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)on2)cn1 ZINC000602979260 347264155 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AFOVBQATYYMKRG-ZDUSSCGKSA-N 1 2 251.301 2.076 20 30 CEEDLO C=CC(C)(C)CC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000624036998 350176097 /nfs/dbraw/zinc/17/60/97/350176097.db2.gz HXDOEMBDVZUFBF-ZDUSSCGKSA-N 1 2 271.368 2.481 20 30 CEEDLO C#CCCCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000271339193 191082260 /nfs/dbraw/zinc/08/22/60/191082260.db2.gz BOISGOZGBVNHDP-UHFFFAOYSA-N 1 2 269.348 2.453 20 30 CEEDLO N#Cc1cccc(OC2CC[NH+](Cc3c[nH]cn3)CC2)c1 ZINC000092034313 180310309 /nfs/dbraw/zinc/31/03/09/180310309.db2.gz PSWRVMANUHQANZ-UHFFFAOYSA-N 1 2 282.347 2.325 20 30 CEEDLO N#Cc1cccc(OC2CC[NH+](Cc3cnc[nH]3)CC2)c1 ZINC000092034313 180310312 /nfs/dbraw/zinc/31/03/12/180310312.db2.gz PSWRVMANUHQANZ-UHFFFAOYSA-N 1 2 282.347 2.325 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106877490 186145724 /nfs/dbraw/zinc/14/57/24/186145724.db2.gz XWOTZNKWZQSXEM-JTQLQIEISA-N 1 2 267.398 2.055 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106877490 186145726 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C=CCCCN(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC000277756848 374634098 /nfs/dbraw/zinc/63/40/98/374634098.db2.gz KCIMEATVVUHFMY-UHFFFAOYSA-N 1 2 278.425 2.432 20 30 CEEDLO C=CCCCN(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000277756848 374634108 /nfs/dbraw/zinc/63/41/08/374634108.db2.gz KCIMEATVVUHFMY-UHFFFAOYSA-N 1 2 278.425 2.432 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374893013 374636344 /nfs/dbraw/zinc/63/63/44/374636344.db2.gz KUKIKDJXQTYGMU-XJKSGUPXSA-N 1 2 287.338 2.163 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374893013 374636350 /nfs/dbraw/zinc/63/63/50/374636350.db2.gz KUKIKDJXQTYGMU-XJKSGUPXSA-N 1 2 287.338 2.163 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000374703263 374628245 /nfs/dbraw/zinc/62/82/45/374628245.db2.gz UQYHUPMJJCWQEB-AWEZNQCLSA-N 1 2 296.374 2.498 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375438426 374658234 /nfs/dbraw/zinc/65/82/34/374658234.db2.gz OFXPPBZXAGRASP-JTQLQIEISA-N 1 2 253.733 2.489 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375438426 374658238 /nfs/dbraw/zinc/65/82/38/374658238.db2.gz OFXPPBZXAGRASP-JTQLQIEISA-N 1 2 253.733 2.489 20 30 CEEDLO Cc1nsc(N2CCC(c3c[nH]c[nH+]3)CC2)c1C#N ZINC000377157159 374804794 /nfs/dbraw/zinc/80/47/94/374804794.db2.gz DKPCWCNWCLHVPH-UHFFFAOYSA-N 1 2 273.365 2.430 20 30 CEEDLO Cc1nsc(N2CCC(c3c[nH+]c[nH]3)CC2)c1C#N ZINC000377157159 374804802 /nfs/dbraw/zinc/80/48/02/374804802.db2.gz DKPCWCNWCLHVPH-UHFFFAOYSA-N 1 2 273.365 2.430 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)o1 ZINC000377699725 374926345 /nfs/dbraw/zinc/92/63/45/374926345.db2.gz NLADGOVDCJDTPO-UHFFFAOYSA-N 1 2 286.310 2.008 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnccc2C)n1 ZINC000279666320 374949898 /nfs/dbraw/zinc/94/98/98/374949898.db2.gz DMWYMRAZDANLCP-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnccc2C)n1 ZINC000279666320 374949906 /nfs/dbraw/zinc/94/99/06/374949906.db2.gz DMWYMRAZDANLCP-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000280231126 375137418 /nfs/dbraw/zinc/13/74/18/375137418.db2.gz AKEORSFYNNRJQT-LRDDRELGSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@]2(CCOC2)O1 ZINC000280231126 375137423 /nfs/dbraw/zinc/13/74/23/375137423.db2.gz AKEORSFYNNRJQT-LRDDRELGSA-N 1 2 290.338 2.077 20 30 CEEDLO CC#CC[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280540204 375238111 /nfs/dbraw/zinc/23/81/11/375238111.db2.gz SYKRDIYWCMXYIK-NSHDSACASA-N 1 2 278.377 2.398 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280540204 375238114 /nfs/dbraw/zinc/23/81/14/375238114.db2.gz SYKRDIYWCMXYIK-NSHDSACASA-N 1 2 278.377 2.398 20 30 CEEDLO C=CCc1cc(C[N@@H+](C)[C@H](C)C(=O)OC)cc(OC)c1O ZINC000280995031 375347712 /nfs/dbraw/zinc/34/77/12/375347712.db2.gz XEPOYHAUOLTDBT-LLVKDONJSA-N 1 2 293.363 2.123 20 30 CEEDLO C=CCc1cc(C[N@H+](C)[C@H](C)C(=O)OC)cc(OC)c1O ZINC000280995031 375347718 /nfs/dbraw/zinc/34/77/18/375347718.db2.gz XEPOYHAUOLTDBT-LLVKDONJSA-N 1 2 293.363 2.123 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000281465278 375381690 /nfs/dbraw/zinc/38/16/90/375381690.db2.gz UKHKJBYIXXJBAY-KGLIPLIRSA-N 1 2 276.384 2.412 20 30 CEEDLO Cc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1C#N ZINC000408360802 375461506 /nfs/dbraw/zinc/46/15/06/375461506.db2.gz ZIILGDZRHKQEMF-JKSUJKDBSA-N 1 2 283.375 2.110 20 30 CEEDLO Cc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1C#N ZINC000408360802 375461512 /nfs/dbraw/zinc/46/15/12/375461512.db2.gz ZIILGDZRHKQEMF-JKSUJKDBSA-N 1 2 283.375 2.110 20 30 CEEDLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccc1C#N ZINC000282500561 375500698 /nfs/dbraw/zinc/50/06/98/375500698.db2.gz YCRRIEKDJFOQEP-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1C#N ZINC000282500561 375500699 /nfs/dbraw/zinc/50/06/99/375500699.db2.gz YCRRIEKDJFOQEP-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC000416340077 376047919 /nfs/dbraw/zinc/04/79/19/376047919.db2.gz QFLVZOUWUIORCH-HNNXBMFYSA-N 1 2 294.358 2.408 20 30 CEEDLO Cc1cc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)[nH]n1 ZINC000419231802 376404815 /nfs/dbraw/zinc/40/48/15/376404815.db2.gz SJVFLLOQLYWRJB-UHFFFAOYSA-N 1 2 287.392 2.426 20 30 CEEDLO Cc1cc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)n[nH]1 ZINC000419231802 376404826 /nfs/dbraw/zinc/40/48/26/376404826.db2.gz SJVFLLOQLYWRJB-UHFFFAOYSA-N 1 2 287.392 2.426 20 30 CEEDLO C[C@@]1(F)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000334304336 206339854 /nfs/dbraw/zinc/33/98/54/206339854.db2.gz CLNLGUOSFSAMMN-CQSZACIVSA-N 1 2 258.300 2.140 20 30 CEEDLO C[C@@]1(F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000334304336 206339859 /nfs/dbraw/zinc/33/98/59/206339859.db2.gz CLNLGUOSFSAMMN-CQSZACIVSA-N 1 2 258.300 2.140 20 30 CEEDLO Cc1cc(C)c(C#N)c(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000264227032 190097861 /nfs/dbraw/zinc/09/78/61/190097861.db2.gz HWFOOWVBUAQCIT-ZIAGYGMSSA-N 1 2 288.395 2.091 20 30 CEEDLO Cc1cc(CNc2nc3c(cc2C#N)COCC3)cc(C)[nH+]1 ZINC000557636023 376573584 /nfs/dbraw/zinc/57/35/84/376573584.db2.gz RHDIQXQCRCYXRF-UHFFFAOYSA-N 1 2 294.358 2.072 20 30 CEEDLO C=C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000264469691 190112159 /nfs/dbraw/zinc/11/21/59/190112159.db2.gz NBUVMXWSXOHQDZ-UHFFFAOYSA-N 1 2 265.378 2.112 20 30 CEEDLO Cc1c(Cl)c(C[NH2+]CC2(CC#N)CC2)nn1C ZINC000421384659 376802682 /nfs/dbraw/zinc/80/26/82/376802682.db2.gz KNZZFIAUHPGHHA-UHFFFAOYSA-N 1 2 252.749 2.165 20 30 CEEDLO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3cscn3)C2)n1 ZINC000328624124 376863462 /nfs/dbraw/zinc/86/34/62/376863462.db2.gz JSGHJQWFEOEJPW-LBPRGKRZSA-N 1 2 291.380 2.395 20 30 CEEDLO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3cscn3)C2)n1 ZINC000328624124 376863470 /nfs/dbraw/zinc/86/34/70/376863470.db2.gz JSGHJQWFEOEJPW-LBPRGKRZSA-N 1 2 291.380 2.395 20 30 CEEDLO Cc1cn2cc(NC(=O)N[C@H]3CC[C@H](O)CC3)ccc2[nH+]1 ZINC000328749071 376891621 /nfs/dbraw/zinc/89/16/21/376891621.db2.gz QPHKONMLGJKVMU-AULYBMBSSA-N 1 2 288.351 2.272 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328839729 376908265 /nfs/dbraw/zinc/90/82/65/376908265.db2.gz OLQZEVOTXNIEOE-GFCCVEGCSA-N 1 2 263.341 2.493 20 30 CEEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328839729 376908273 /nfs/dbraw/zinc/90/82/73/376908273.db2.gz OLQZEVOTXNIEOE-GFCCVEGCSA-N 1 2 263.341 2.493 20 30 CEEDLO C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1ccccn1 ZINC000329281800 376937821 /nfs/dbraw/zinc/93/78/21/376937821.db2.gz FBHGGSJZHZBQMY-CYBMUJFWSA-N 1 2 289.379 2.354 20 30 CEEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000330188837 377066823 /nfs/dbraw/zinc/06/68/23/377066823.db2.gz LKYVYROJWOXSLL-QWHCGFSZSA-N 1 2 290.411 2.480 20 30 CEEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000330506005 377163970 /nfs/dbraw/zinc/16/39/70/377163970.db2.gz GQVDVZDLCIGBGQ-BBRMVZONSA-N 1 2 291.395 2.463 20 30 CEEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000330506005 377163975 /nfs/dbraw/zinc/16/39/75/377163975.db2.gz GQVDVZDLCIGBGQ-BBRMVZONSA-N 1 2 291.395 2.463 20 30 CEEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000291350027 377186926 /nfs/dbraw/zinc/18/69/26/377186926.db2.gz XSGUYCYZLYVTSE-OAHLLOKOSA-N 1 2 299.374 2.048 20 30 CEEDLO COCC[C@@H]1COCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000291350027 377186935 /nfs/dbraw/zinc/18/69/35/377186935.db2.gz XSGUYCYZLYVTSE-OAHLLOKOSA-N 1 2 299.374 2.048 20 30 CEEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C#N)o1 ZINC000292882724 377330360 /nfs/dbraw/zinc/33/03/60/377330360.db2.gz XYRQBSXDGQOAFF-ZDUSSCGKSA-N 1 2 264.325 2.171 20 30 CEEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000292882724 377330374 /nfs/dbraw/zinc/33/03/74/377330374.db2.gz XYRQBSXDGQOAFF-ZDUSSCGKSA-N 1 2 264.325 2.171 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000563690426 377277099 /nfs/dbraw/zinc/27/70/99/377277099.db2.gz ZWETYZJQMWSUTC-NEPJUHHUSA-N 1 2 260.341 2.196 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000563690426 377277108 /nfs/dbraw/zinc/27/71/08/377277108.db2.gz ZWETYZJQMWSUTC-NEPJUHHUSA-N 1 2 260.341 2.196 20 30 CEEDLO C=CCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427819623 377451307 /nfs/dbraw/zinc/45/13/07/377451307.db2.gz RCXXOYNYVBGPAH-CYBMUJFWSA-N 1 2 291.420 2.038 20 30 CEEDLO C#CCOc1ccc(C[NH2+]C(C)(C)c2noc(C)n2)cc1 ZINC000264978973 190149604 /nfs/dbraw/zinc/14/96/04/190149604.db2.gz TUBAXPJEVCNGQV-UHFFFAOYSA-N 1 2 285.347 2.415 20 30 CEEDLO C=C1CC[NH+](CCOc2cccc(S(C)(=O)=O)c2)CC1 ZINC000265617430 190194284 /nfs/dbraw/zinc/19/42/84/190194284.db2.gz ABYQJVQNKYPGAV-UHFFFAOYSA-N 1 2 295.404 2.121 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(SCC#N)c1 ZINC000431701287 377668856 /nfs/dbraw/zinc/66/88/56/377668856.db2.gz CBFOTVRBULMJKA-UHFFFAOYSA-N 1 2 286.360 2.264 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000432644759 377776352 /nfs/dbraw/zinc/77/63/52/377776352.db2.gz SCBPAONKROBVJY-UHFFFAOYSA-N 1 2 296.330 2.478 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000433019795 377777722 /nfs/dbraw/zinc/77/77/22/377777722.db2.gz AMGKMEKMMSVOLK-VBKZILBWSA-N 1 2 293.432 2.452 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000433019795 377777730 /nfs/dbraw/zinc/77/77/30/377777730.db2.gz AMGKMEKMMSVOLK-VBKZILBWSA-N 1 2 293.432 2.452 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CCCC[C@@H]1O ZINC000566302366 377754193 /nfs/dbraw/zinc/75/41/93/377754193.db2.gz VUORNCUWGPUSTD-HOCLYGCPSA-N 1 2 273.380 2.348 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CCCC[C@@H]1O ZINC000566302366 377754200 /nfs/dbraw/zinc/75/42/00/377754200.db2.gz VUORNCUWGPUSTD-HOCLYGCPSA-N 1 2 273.380 2.348 20 30 CEEDLO CSCc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566309861 377756203 /nfs/dbraw/zinc/75/62/03/377756203.db2.gz VSMBEAIARGJWJF-HNNXBMFYSA-N 1 2 291.420 2.123 20 30 CEEDLO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)CC(C)(C)C#N ZINC000433301756 377785198 /nfs/dbraw/zinc/78/51/98/377785198.db2.gz WBWQYAKZKUUSKN-GFCCVEGCSA-N 1 2 293.436 2.277 20 30 CEEDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)CC(C)(C)C#N ZINC000433301756 377785207 /nfs/dbraw/zinc/78/52/07/377785207.db2.gz WBWQYAKZKUUSKN-GFCCVEGCSA-N 1 2 293.436 2.277 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000435582816 377806835 /nfs/dbraw/zinc/80/68/35/377806835.db2.gz BWNUWMYDLGOPSB-YPMHNXCESA-N 1 2 272.352 2.081 20 30 CEEDLO CN(C)C(=O)c1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433306084 377787079 /nfs/dbraw/zinc/78/70/79/377787079.db2.gz PUNYZJGCVNIWJD-UHFFFAOYSA-N 1 2 273.380 2.370 20 30 CEEDLO CN(C)C(=O)c1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433306084 377787085 /nfs/dbraw/zinc/78/70/85/377787085.db2.gz PUNYZJGCVNIWJD-UHFFFAOYSA-N 1 2 273.380 2.370 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434387519 377797895 /nfs/dbraw/zinc/79/78/95/377797895.db2.gz XRTXOWBMFUMUJV-GJZGRUSLSA-N 1 2 297.443 2.093 20 30 CEEDLO C=C[C@H](CC(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000290946978 542229853 /nfs/dbraw/zinc/22/98/53/542229853.db2.gz ASMSDWSIDBWYKB-CYBMUJFWSA-N 1 2 269.348 2.396 20 30 CEEDLO N#CCC[N@H+](CC[C@H]1CCOC1)Cc1ccccn1 ZINC000438124433 377890362 /nfs/dbraw/zinc/89/03/62/377890362.db2.gz GBAQNLBRMDWHFE-AWEZNQCLSA-N 1 2 259.353 2.224 20 30 CEEDLO N#CCC[N@@H+](CC[C@H]1CCOC1)Cc1ccccn1 ZINC000438124433 377890367 /nfs/dbraw/zinc/89/03/67/377890367.db2.gz GBAQNLBRMDWHFE-AWEZNQCLSA-N 1 2 259.353 2.224 20 30 CEEDLO N#C[C@H]1C[N@H+](CC[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000437592227 377855250 /nfs/dbraw/zinc/85/52/50/377855250.db2.gz QXVDVPGXZDNYNX-MSOLQXFVSA-N 1 2 299.418 2.123 20 30 CEEDLO N#C[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCN1Cc1ccccc1 ZINC000437592227 377855254 /nfs/dbraw/zinc/85/52/54/377855254.db2.gz QXVDVPGXZDNYNX-MSOLQXFVSA-N 1 2 299.418 2.123 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000574432824 299495902 /nfs/dbraw/zinc/49/59/02/299495902.db2.gz MGJIGKWAJFGKNK-INIZCTEOSA-N 1 2 294.358 2.102 20 30 CEEDLO OCCO[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167241 377934177 /nfs/dbraw/zinc/93/41/77/377934177.db2.gz HZCNKCMRASHAGH-HNNXBMFYSA-N 1 2 293.794 2.165 20 30 CEEDLO OCCO[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167241 377934180 /nfs/dbraw/zinc/93/41/80/377934180.db2.gz HZCNKCMRASHAGH-HNNXBMFYSA-N 1 2 293.794 2.165 20 30 CEEDLO C#CCOc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1 ZINC000294683943 378010318 /nfs/dbraw/zinc/01/03/18/378010318.db2.gz BVOPRGZHFPEVSP-UHFFFAOYSA-N 1 2 284.363 2.230 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(O)c2Cl)C1=O ZINC000294729416 378016566 /nfs/dbraw/zinc/01/65/66/378016566.db2.gz PXKZYNUNEOCODV-LBPRGKRZSA-N 1 2 294.782 2.264 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(O)c2Cl)C1=O ZINC000294729416 378016571 /nfs/dbraw/zinc/01/65/71/378016571.db2.gz PXKZYNUNEOCODV-LBPRGKRZSA-N 1 2 294.782 2.264 20 30 CEEDLO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CC[S@@]1=O ZINC000444637209 378076800 /nfs/dbraw/zinc/07/68/00/378076800.db2.gz IDQKCBNPQMRJCW-SJCJKPOMSA-N 1 2 256.415 2.159 20 30 CEEDLO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[S@@]1=O ZINC000444637209 378076807 /nfs/dbraw/zinc/07/68/07/378076807.db2.gz IDQKCBNPQMRJCW-SJCJKPOMSA-N 1 2 256.415 2.159 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@]2(C#N)C[C@H]2C)c1C ZINC000448825198 378188087 /nfs/dbraw/zinc/18/80/87/378188087.db2.gz SZSCOWIAJKYBGJ-BDJLRTHQSA-N 1 2 287.363 2.215 20 30 CEEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCCOC2)CCC[C@]12CCCCO2 ZINC000447923620 378160227 /nfs/dbraw/zinc/16/02/27/378160227.db2.gz SVMLGOHZCHTJSZ-HRCADAONSA-N 1 2 278.396 2.340 20 30 CEEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCCOC2)CCC[C@]12CCCCO2 ZINC000447923620 378160232 /nfs/dbraw/zinc/16/02/32/378160232.db2.gz SVMLGOHZCHTJSZ-HRCADAONSA-N 1 2 278.396 2.340 20 30 CEEDLO C#C[C@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)C(C)C ZINC000296554704 378573429 /nfs/dbraw/zinc/57/34/29/378573429.db2.gz RJZMDKHOUUHUIH-ZDUSSCGKSA-N 1 2 270.336 2.422 20 30 CEEDLO C=CC[NH+](CC=C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000298010257 378691452 /nfs/dbraw/zinc/69/14/52/378691452.db2.gz YYBAAMCMIDGVGV-CYBMUJFWSA-N 1 2 269.352 2.397 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000514792168 379151155 /nfs/dbraw/zinc/15/11/55/379151155.db2.gz IDCKTVJKIFSMFJ-NVXWUHKLSA-N 1 2 298.390 2.034 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000515053758 379179847 /nfs/dbraw/zinc/17/98/47/379179847.db2.gz VIOJXLYMELNARC-KKUMJFAQSA-N 1 2 284.363 2.075 20 30 CEEDLO COCCN(Cc1ccc(C#N)cc1)c1cc[nH+]c(C)n1 ZINC000266453594 190258410 /nfs/dbraw/zinc/25/84/10/190258410.db2.gz XQGFQLUWEZPQGQ-UHFFFAOYSA-N 1 2 282.347 2.310 20 30 CEEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)nn1 ZINC000301830355 379308404 /nfs/dbraw/zinc/30/84/04/379308404.db2.gz HMUFRAXMKCQBCE-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(CCO)cc3)n2c1 ZINC000304906479 379600890 /nfs/dbraw/zinc/60/08/90/379600890.db2.gz QKLRFCPDWUHTRT-UHFFFAOYSA-N 1 2 292.342 2.353 20 30 CEEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000526135572 379705562 /nfs/dbraw/zinc/70/55/62/379705562.db2.gz MLXHITAYXOFOOX-HNNXBMFYSA-N 1 2 298.390 2.089 20 30 CEEDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)n1 ZINC000526135572 379705568 /nfs/dbraw/zinc/70/55/68/379705568.db2.gz MLXHITAYXOFOOX-HNNXBMFYSA-N 1 2 298.390 2.089 20 30 CEEDLO N#CC1(CNC(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC000574741299 335043727 /nfs/dbraw/zinc/04/37/27/335043727.db2.gz RXPVDIWGCHPUQK-UHFFFAOYSA-N 1 2 269.308 2.150 20 30 CEEDLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459372944 380062085 /nfs/dbraw/zinc/06/20/85/380062085.db2.gz UYSIUEIRPRINAT-WCQYABFASA-N 1 2 289.335 2.202 20 30 CEEDLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459372944 380062092 /nfs/dbraw/zinc/06/20/92/380062092.db2.gz UYSIUEIRPRINAT-WCQYABFASA-N 1 2 289.335 2.202 20 30 CEEDLO CCOc1cc(C[NH2+]C[C@H](C)C#N)c(F)cc1OC ZINC000529540046 380179353 /nfs/dbraw/zinc/17/93/53/380179353.db2.gz DICBLUJFWQALIV-SNVBAGLBSA-N 1 2 266.316 2.482 20 30 CEEDLO COCc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1C#N ZINC000529818038 380188532 /nfs/dbraw/zinc/18/85/32/380188532.db2.gz SZKNOKDHFLYMPP-UHFFFAOYSA-N 1 2 298.346 2.344 20 30 CEEDLO COCc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1C#N ZINC000529818038 380188536 /nfs/dbraw/zinc/18/85/36/380188536.db2.gz SZKNOKDHFLYMPP-UHFFFAOYSA-N 1 2 298.346 2.344 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000491363342 380311276 /nfs/dbraw/zinc/31/12/76/380311276.db2.gz YXWDIVIGTBXEHW-TZMCWYRMSA-N 1 2 274.339 2.053 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000491363342 380311286 /nfs/dbraw/zinc/31/12/86/380311286.db2.gz YXWDIVIGTBXEHW-TZMCWYRMSA-N 1 2 274.339 2.053 20 30 CEEDLO COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OC)c1 ZINC000554487812 380772130 /nfs/dbraw/zinc/77/21/30/380772130.db2.gz NTEZIIADHDISKK-GFCCVEGCSA-N 1 2 273.336 2.237 20 30 CEEDLO CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)CS(=O)(=O)CC ZINC000112999539 285104425 /nfs/dbraw/zinc/10/44/25/285104425.db2.gz BNIRKTAUZRRQEC-ZDUSSCGKSA-N 1 2 294.420 2.203 20 30 CEEDLO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CS(=O)(=O)CC ZINC000112999539 285104427 /nfs/dbraw/zinc/10/44/27/285104427.db2.gz BNIRKTAUZRRQEC-ZDUSSCGKSA-N 1 2 294.420 2.203 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000336561382 533112663 /nfs/dbraw/zinc/11/26/63/533112663.db2.gz ISIZEWZUYVMBRT-RYUDHWBXSA-N 1 2 277.393 2.113 20 30 CEEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCCOCC(F)F ZINC000189282196 262170281 /nfs/dbraw/zinc/17/02/81/262170281.db2.gz HDRRATIOOUCWJF-UHFFFAOYSA-N 1 2 292.713 2.453 20 30 CEEDLO O=C(C[C@H]1CCOC1)NCc1cn2ccccc2[nH+]1 ZINC000329236376 227372551 /nfs/dbraw/zinc/37/25/51/227372551.db2.gz JMGINWWGDTZBAG-LLVKDONJSA-N 1 2 259.309 2.217 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CCC#N)C1 ZINC000365458099 262365960 /nfs/dbraw/zinc/36/59/60/262365960.db2.gz DPQSDLBEHGKVMD-HNNXBMFYSA-N 1 2 279.384 2.375 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CCC#N)C1 ZINC000365458099 262365961 /nfs/dbraw/zinc/36/59/61/262365961.db2.gz DPQSDLBEHGKVMD-HNNXBMFYSA-N 1 2 279.384 2.375 20 30 CEEDLO CCOC(=O)N1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000179749303 260065814 /nfs/dbraw/zinc/06/58/14/260065814.db2.gz HXIYWRAMFAIXHC-UHFFFAOYSA-N 1 2 293.392 2.284 20 30 CEEDLO CCOC(=O)N1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000179749303 260065815 /nfs/dbraw/zinc/06/58/15/260065815.db2.gz HXIYWRAMFAIXHC-UHFFFAOYSA-N 1 2 293.392 2.284 20 30 CEEDLO C#CC[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCc2ccccc21 ZINC000171378907 335063729 /nfs/dbraw/zinc/06/37/29/335063729.db2.gz MQFBGVIYPXVDMJ-MRXNPFEDSA-N 1 2 291.416 2.044 20 30 CEEDLO C#CC[N@H+](CCCS(C)(=O)=O)[C@@H]1CCc2ccccc21 ZINC000171378907 335063730 /nfs/dbraw/zinc/06/37/30/335063730.db2.gz MQFBGVIYPXVDMJ-MRXNPFEDSA-N 1 2 291.416 2.044 20 30 CEEDLO C=CCCC[C@@H](C)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413229656 394508396 /nfs/dbraw/zinc/50/83/96/394508396.db2.gz RJKGXZDZIPSVBW-VXGBXAGGSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CCCC[C@@H](C)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413229656 394508399 /nfs/dbraw/zinc/50/83/99/394508399.db2.gz RJKGXZDZIPSVBW-VXGBXAGGSA-N 1 2 264.373 2.426 20 30 CEEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421356480 394509067 /nfs/dbraw/zinc/50/90/67/394509067.db2.gz LAPUNQSYFHJWSY-UHFFFAOYSA-N 1 2 287.342 2.334 20 30 CEEDLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[C@]12CCOC2 ZINC000329640349 394579218 /nfs/dbraw/zinc/57/92/18/394579218.db2.gz ZTDUBERKNWAYQV-WFASDCNBSA-N 1 2 271.320 2.217 20 30 CEEDLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000048707253 394523181 /nfs/dbraw/zinc/52/31/81/394523181.db2.gz HBBFRDIGDAOWGH-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000048707253 394523184 /nfs/dbraw/zinc/52/31/84/394523184.db2.gz HBBFRDIGDAOWGH-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cnnc(C)c1)CCC2 ZINC000329846909 394589666 /nfs/dbraw/zinc/58/96/66/394589666.db2.gz QXUQCWWPGGSWDB-LBPRGKRZSA-N 1 2 285.351 2.172 20 30 CEEDLO CC1CC[NH+](CC(=O)Nc2n[nH]c(C(F)(F)F)n2)CC1 ZINC000329927483 394595755 /nfs/dbraw/zinc/59/57/55/394595755.db2.gz LQWUXMXHPLYLLG-UHFFFAOYSA-N 1 2 291.277 2.143 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329958136 394598036 /nfs/dbraw/zinc/59/80/36/394598036.db2.gz QMHBAXKIXKBDJX-XJKCOSOUSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329958136 394598039 /nfs/dbraw/zinc/59/80/39/394598039.db2.gz QMHBAXKIXKBDJX-XJKCOSOUSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329958135 394598346 /nfs/dbraw/zinc/59/83/46/394598346.db2.gz QMHBAXKIXKBDJX-DVOMOZLQSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329958135 394598351 /nfs/dbraw/zinc/59/83/51/394598351.db2.gz QMHBAXKIXKBDJX-DVOMOZLQSA-N 1 2 296.411 2.154 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000330178236 394599684 /nfs/dbraw/zinc/59/96/84/394599684.db2.gz DMQOAOBUVGEPAX-MJBXVCDLSA-N 1 2 288.395 2.376 20 30 CEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000330178236 394599686 /nfs/dbraw/zinc/59/96/86/394599686.db2.gz DMQOAOBUVGEPAX-MJBXVCDLSA-N 1 2 288.395 2.376 20 30 CEEDLO NC(=O)[C@@]1(O)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000330584780 394620910 /nfs/dbraw/zinc/62/09/10/394620910.db2.gz VSYJDZKRGRFOFX-OAHLLOKOSA-N 1 2 292.766 2.054 20 30 CEEDLO NC(=O)[C@@]1(O)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000330584780 394620912 /nfs/dbraw/zinc/62/09/12/394620912.db2.gz VSYJDZKRGRFOFX-OAHLLOKOSA-N 1 2 292.766 2.054 20 30 CEEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)ccc1C ZINC000330617530 394621497 /nfs/dbraw/zinc/62/14/97/394621497.db2.gz GFJIPHNMMBAOES-ZDUSSCGKSA-N 1 2 292.379 2.029 20 30 CEEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)ccc1C ZINC000330617530 394621501 /nfs/dbraw/zinc/62/15/01/394621501.db2.gz GFJIPHNMMBAOES-ZDUSSCGKSA-N 1 2 292.379 2.029 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(CC#N)cc1 ZINC000270410840 394732791 /nfs/dbraw/zinc/73/27/91/394732791.db2.gz RIHDUCZRILIWLE-UHFFFAOYSA-N 1 2 282.347 2.111 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269638639 394719784 /nfs/dbraw/zinc/71/97/84/394719784.db2.gz NKWPYHHNPBOEOW-QWHCGFSZSA-N 1 2 257.341 2.033 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269638639 394719788 /nfs/dbraw/zinc/71/97/88/394719788.db2.gz NKWPYHHNPBOEOW-QWHCGFSZSA-N 1 2 257.341 2.033 20 30 CEEDLO C=CCN(CCC#N)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000359440253 394755386 /nfs/dbraw/zinc/75/53/86/394755386.db2.gz MSTKKVJTGWMVKX-CABCVRRESA-N 1 2 298.390 2.082 20 30 CEEDLO N#CC1(C[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000359629301 394766074 /nfs/dbraw/zinc/76/60/74/394766074.db2.gz VZRMLSQUGWAFSD-GFCCVEGCSA-N 1 2 295.180 2.376 20 30 CEEDLO CC(C)N1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000272488882 394774941 /nfs/dbraw/zinc/77/49/41/394774941.db2.gz BWLJJPZQMLSDPA-CYBMUJFWSA-N 1 2 271.364 2.172 20 30 CEEDLO CC(C)N1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000272488882 394774944 /nfs/dbraw/zinc/77/49/44/394774944.db2.gz BWLJJPZQMLSDPA-CYBMUJFWSA-N 1 2 271.364 2.172 20 30 CEEDLO CC#CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000359899951 394780091 /nfs/dbraw/zinc/78/00/91/394780091.db2.gz MOQLLMGOVIHUHS-UHFFFAOYSA-N 1 2 262.784 2.481 20 30 CEEDLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000272983072 394780113 /nfs/dbraw/zinc/78/01/13/394780113.db2.gz JOIQTWSKNXCKOR-QWRGUYRKSA-N 1 2 286.335 2.499 20 30 CEEDLO C=C(CNC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000360207106 394793495 /nfs/dbraw/zinc/79/34/95/394793495.db2.gz FERGAHPWUAITEE-UHFFFAOYSA-N 1 2 255.321 2.172 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)n1C ZINC000336092918 394825601 /nfs/dbraw/zinc/82/56/01/394825601.db2.gz QPOOXXGHIPKWGP-ZDUSSCGKSA-N 1 2 283.375 2.474 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)n1C ZINC000336092918 394825606 /nfs/dbraw/zinc/82/56/06/394825606.db2.gz QPOOXXGHIPKWGP-ZDUSSCGKSA-N 1 2 283.375 2.474 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000122587648 394815008 /nfs/dbraw/zinc/81/50/08/394815008.db2.gz GLFGZPQUWHRBGM-VOTSOKGWSA-N 1 2 294.358 2.317 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(=O)OC ZINC000361108196 394816138 /nfs/dbraw/zinc/81/61/38/394816138.db2.gz JSLLVHMETWNKNV-UPJWGTAASA-N 1 2 269.385 2.145 20 30 CEEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(OC)c1OC ZINC000122793315 394817975 /nfs/dbraw/zinc/81/79/75/394817975.db2.gz IOSRMUJIQNRVGL-LLVKDONJSA-N 1 2 278.352 2.446 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(OC)c1OC ZINC000122793315 394817979 /nfs/dbraw/zinc/81/79/79/394817979.db2.gz IOSRMUJIQNRVGL-LLVKDONJSA-N 1 2 278.352 2.446 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000122845095 394818414 /nfs/dbraw/zinc/81/84/14/394818414.db2.gz WOQHFRGIGYILSR-NSHDSACASA-N 1 2 278.352 2.446 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000122845095 394818420 /nfs/dbraw/zinc/81/84/20/394818420.db2.gz WOQHFRGIGYILSR-NSHDSACASA-N 1 2 278.352 2.446 20 30 CEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336263062 394838112 /nfs/dbraw/zinc/83/81/12/394838112.db2.gz PHASJYGVEHIDOX-HIFRSBDPSA-N 1 2 287.338 2.097 20 30 CEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336263062 394838117 /nfs/dbraw/zinc/83/81/17/394838117.db2.gz PHASJYGVEHIDOX-HIFRSBDPSA-N 1 2 287.338 2.097 20 30 CEEDLO C#C[C@@H](NC(=O)Cn1c(CC)[nH+]c2ccccc21)C(C)C ZINC000281985185 394890703 /nfs/dbraw/zinc/89/07/03/394890703.db2.gz JNVNAPRDSCAHSX-CYBMUJFWSA-N 1 2 283.375 2.373 20 30 CEEDLO C=CCOCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000339076884 394940460 /nfs/dbraw/zinc/94/04/60/394940460.db2.gz GNTPGZIULSKFHG-GFCCVEGCSA-N 1 2 257.374 2.145 20 30 CEEDLO C=CCOCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000339086918 394941988 /nfs/dbraw/zinc/94/19/88/394941988.db2.gz NIGKEEHLGVKJHE-JTQLQIEISA-N 1 2 253.346 2.220 20 30 CEEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000339200188 394950904 /nfs/dbraw/zinc/95/09/04/394950904.db2.gz HQZQRRCLBZOZKZ-WCQYABFASA-N 1 2 287.319 2.481 20 30 CEEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000339200188 394950906 /nfs/dbraw/zinc/95/09/06/394950906.db2.gz HQZQRRCLBZOZKZ-WCQYABFASA-N 1 2 287.319 2.481 20 30 CEEDLO C=CCOc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000285902766 394981878 /nfs/dbraw/zinc/98/18/78/394981878.db2.gz KLPWHNYNGIPPLZ-UHFFFAOYSA-N 1 2 285.347 2.142 20 30 CEEDLO N#Cc1cnccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000367416384 394962611 /nfs/dbraw/zinc/96/26/11/394962611.db2.gz BBZZKUAKULRBGK-CQSZACIVSA-N 1 2 266.304 2.006 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1ccccc1 ZINC000285801657 394965143 /nfs/dbraw/zinc/96/51/43/394965143.db2.gz UNIITKOWJXAYLW-UHFFFAOYSA-N 1 2 283.331 2.057 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccccc1 ZINC000285801657 394965145 /nfs/dbraw/zinc/96/51/45/394965145.db2.gz UNIITKOWJXAYLW-UHFFFAOYSA-N 1 2 283.331 2.057 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000339761253 394970476 /nfs/dbraw/zinc/97/04/76/394970476.db2.gz QLPSWPPTEZWVPI-UHFFFAOYSA-N 1 2 295.386 2.008 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000339761253 394970480 /nfs/dbraw/zinc/97/04/80/394970480.db2.gz QLPSWPPTEZWVPI-UHFFFAOYSA-N 1 2 295.386 2.008 20 30 CEEDLO CC#CC[N@@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000339764545 394970523 /nfs/dbraw/zinc/97/05/23/394970523.db2.gz SEXSNMMSCCXZTR-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO CC#CC[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000339764545 394970525 /nfs/dbraw/zinc/97/05/25/394970525.db2.gz SEXSNMMSCCXZTR-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CC#Cc1ccccc1 ZINC000372811770 395047356 /nfs/dbraw/zinc/04/73/56/395047356.db2.gz KCMIEJAABPZESJ-SFHVURJKSA-N 1 2 290.366 2.123 20 30 CEEDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccccc1 ZINC000372811770 395047358 /nfs/dbraw/zinc/04/73/58/395047358.db2.gz KCMIEJAABPZESJ-SFHVURJKSA-N 1 2 290.366 2.123 20 30 CEEDLO Cc1cc(NCC(C)(C)c2cccnc2)c(C#N)c[nH+]1 ZINC000425265673 395054769 /nfs/dbraw/zinc/05/47/69/395054769.db2.gz FKPNQOVQPNVBQR-UHFFFAOYSA-N 1 2 266.348 2.468 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000373167368 395056165 /nfs/dbraw/zinc/05/61/65/395056165.db2.gz NZBBBICOANVIML-OLZOCXBDSA-N 1 2 287.363 2.034 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000373167368 395056166 /nfs/dbraw/zinc/05/61/66/395056166.db2.gz NZBBBICOANVIML-OLZOCXBDSA-N 1 2 287.363 2.034 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)C(C)(C)C ZINC000288854451 395067178 /nfs/dbraw/zinc/06/71/78/395067178.db2.gz MQKBOYFIKADKTG-AWEZNQCLSA-N 1 2 298.390 2.490 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000345608799 395070843 /nfs/dbraw/zinc/07/08/43/395070843.db2.gz KQBMJXPZPBQCEL-MNOVXSKESA-N 1 2 292.408 2.473 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000345608799 395070845 /nfs/dbraw/zinc/07/08/45/395070845.db2.gz KQBMJXPZPBQCEL-MNOVXSKESA-N 1 2 292.408 2.473 20 30 CEEDLO C[C@H](C#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000345651052 395071904 /nfs/dbraw/zinc/07/19/04/395071904.db2.gz AIICUYLZFOFUCU-CYBMUJFWSA-N 1 2 282.347 2.049 20 30 CEEDLO N#CCCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000172561042 395104623 /nfs/dbraw/zinc/10/46/23/395104623.db2.gz OZURTXDNMRVYPO-UHFFFAOYSA-N 1 2 264.760 2.161 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000376013732 395106830 /nfs/dbraw/zinc/10/68/30/395106830.db2.gz JVZZRBONTPZYQR-CHWSQXEVSA-N 1 2 259.777 2.399 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000376013732 395106831 /nfs/dbraw/zinc/10/68/31/395106831.db2.gz JVZZRBONTPZYQR-CHWSQXEVSA-N 1 2 259.777 2.399 20 30 CEEDLO CCOC(=O)[C@H](C)C/[NH+]=C/c1cc(OCC)ccc1O ZINC000175900176 395134921 /nfs/dbraw/zinc/13/49/21/395134921.db2.gz CYQHVHZQNLETGV-HPUUJOOBSA-N 1 2 279.336 2.409 20 30 CEEDLO CCCN(CC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177041744 395145366 /nfs/dbraw/zinc/14/53/66/395145366.db2.gz QBZRWQCFJXWPSX-UHFFFAOYSA-N 1 2 255.325 2.003 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000176979820 395143382 /nfs/dbraw/zinc/14/33/82/395143382.db2.gz IAOGANDPGKSSPX-CQSZACIVSA-N 1 2 258.321 2.258 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182458359 395242425 /nfs/dbraw/zinc/24/24/25/395242425.db2.gz JFIOYEFQZKFDJI-SNVBAGLBSA-N 1 2 272.304 2.233 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182458359 395242434 /nfs/dbraw/zinc/24/24/34/395242434.db2.gz JFIOYEFQZKFDJI-SNVBAGLBSA-N 1 2 272.304 2.233 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ncn(C)n1 ZINC000353598043 395303408 /nfs/dbraw/zinc/30/34/08/395303408.db2.gz RZDPYYZJZKPCML-YGRLFVJLSA-N 1 2 267.336 2.025 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352450307 395255794 /nfs/dbraw/zinc/25/57/94/395255794.db2.gz RADMLPMYFBBKOO-CYBMUJFWSA-N 1 2 289.354 2.019 20 30 CEEDLO CCOc1cccc(C[NH+]2CCC(F)(C#N)CC2)n1 ZINC000352469144 395256877 /nfs/dbraw/zinc/25/68/77/395256877.db2.gz WOCJAZRGUGZLOY-UHFFFAOYSA-N 1 2 263.316 2.308 20 30 CEEDLO CCN(CC#N)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411212591 395323301 /nfs/dbraw/zinc/32/33/01/395323301.db2.gz KWWPISDNJVRMPZ-LBPRGKRZSA-N 1 2 297.362 2.249 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352484784 395260550 /nfs/dbraw/zinc/26/05/50/395260550.db2.gz TWQNYHKDIRJEBE-UHFFFAOYSA-N 1 2 294.326 2.456 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000192225155 395376840 /nfs/dbraw/zinc/37/68/40/395376840.db2.gz RZHFXHGPWYEKDX-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000192225155 395376842 /nfs/dbraw/zinc/37/68/42/395376842.db2.gz RZHFXHGPWYEKDX-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO CCN1CCN(c2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530534065 395456879 /nfs/dbraw/zinc/45/68/79/395456879.db2.gz RJDCKBHPSLNHNH-HNNXBMFYSA-N 1 2 281.363 2.165 20 30 CEEDLO CC[N@@H+]1CCN(c2ccc(C#N)cc2)C[C@H]1c1ncc[nH]1 ZINC000530534065 395456881 /nfs/dbraw/zinc/45/68/81/395456881.db2.gz RJDCKBHPSLNHNH-HNNXBMFYSA-N 1 2 281.363 2.165 20 30 CEEDLO CC[N@H+]1CCN(c2ccc(C#N)cc2)C[C@H]1c1ncc[nH]1 ZINC000530534065 395456885 /nfs/dbraw/zinc/45/68/85/395456885.db2.gz RJDCKBHPSLNHNH-HNNXBMFYSA-N 1 2 281.363 2.165 20 30 CEEDLO C[C@H](CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000567991220 395543833 /nfs/dbraw/zinc/54/38/33/395543833.db2.gz MHJIKZJPBYQLOF-UMVBOHGHSA-N 1 2 274.368 2.423 20 30 CEEDLO COc1ccccc1-c1ncc(C[NH2+]C[C@@H](C)C#N)cn1 ZINC000568584602 395563449 /nfs/dbraw/zinc/56/34/49/395563449.db2.gz PTOUGNGQRFXNGQ-LBPRGKRZSA-N 1 2 282.347 2.401 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000568643720 395564490 /nfs/dbraw/zinc/56/44/90/395564490.db2.gz WMKJQQSRIDSQSR-UHFFFAOYSA-N 1 2 294.314 2.420 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000568643720 395564492 /nfs/dbraw/zinc/56/44/92/395564492.db2.gz WMKJQQSRIDSQSR-UHFFFAOYSA-N 1 2 294.314 2.420 20 30 CEEDLO C=CCSCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000569019791 395572195 /nfs/dbraw/zinc/57/21/95/395572195.db2.gz ORMQTKKSTNETJS-UHFFFAOYSA-N 1 2 279.409 2.424 20 30 CEEDLO CCCN(CC#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000569865551 395580607 /nfs/dbraw/zinc/58/06/07/395580607.db2.gz ZGMGMQQVGPMXCP-UHFFFAOYSA-N 1 2 256.309 2.019 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)NC3(C#N)CCCC3)ccn12 ZINC000572660776 395587029 /nfs/dbraw/zinc/58/70/29/395587029.db2.gz RQDRJLHZBOSHMU-UHFFFAOYSA-N 1 2 268.320 2.209 20 30 CEEDLO CCC1(O)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459342616 395666038 /nfs/dbraw/zinc/66/60/38/395666038.db2.gz GGQKQBMWQCHBRY-UHFFFAOYSA-N 1 2 289.335 2.203 20 30 CEEDLO CC(C)C[C@H](CO)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412136 395666132 /nfs/dbraw/zinc/66/61/32/395666132.db2.gz QXHPBRWQSLQDIH-CYBMUJFWSA-N 1 2 291.351 2.305 20 30 CEEDLO CC(C)C[C@H](CO)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412136 395666134 /nfs/dbraw/zinc/66/61/34/395666134.db2.gz QXHPBRWQSLQDIH-CYBMUJFWSA-N 1 2 291.351 2.305 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000293229947 400323046 /nfs/dbraw/zinc/32/30/46/400323046.db2.gz SDQXFJUWTZIEIK-UHFFFAOYSA-N 1 2 287.388 2.214 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000293229947 400323051 /nfs/dbraw/zinc/32/30/51/400323051.db2.gz SDQXFJUWTZIEIK-UHFFFAOYSA-N 1 2 287.388 2.214 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000611198295 400666618 /nfs/dbraw/zinc/66/66/18/400666618.db2.gz CPTPECTWZJDMRB-RNCFNFMXSA-N 1 2 295.745 2.476 20 30 CEEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)c(F)c1 ZINC000191951898 153196069 /nfs/dbraw/zinc/19/60/69/153196069.db2.gz OETRVUKOKYVTLB-UHFFFAOYSA-N 1 2 264.300 2.082 20 30 CEEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(F)c1 ZINC000191951898 153196073 /nfs/dbraw/zinc/19/60/73/153196073.db2.gz OETRVUKOKYVTLB-UHFFFAOYSA-N 1 2 264.300 2.082 20 30 CEEDLO C[C@]([NH2+]Cc1ccc(C#N)c(F)c1)(C(N)=O)c1ccccc1 ZINC000192094584 153202699 /nfs/dbraw/zinc/20/26/99/153202699.db2.gz QLCOBOVYMHKRFS-QGZVFWFLSA-N 1 2 297.333 2.188 20 30 CEEDLO N#Cc1ccc(OCC[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000367601909 156211785 /nfs/dbraw/zinc/21/17/85/156211785.db2.gz QHVCPSISERVGTC-OAHLLOKOSA-N 1 2 282.347 2.327 20 30 CEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000368449786 156345677 /nfs/dbraw/zinc/34/56/77/156345677.db2.gz CZUOADICLKWXEK-CVEARBPZSA-N 1 2 298.342 2.258 20 30 CEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000368449786 156345683 /nfs/dbraw/zinc/34/56/83/156345683.db2.gz CZUOADICLKWXEK-CVEARBPZSA-N 1 2 298.342 2.258 20 30 CEEDLO Cc1ccnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C#N ZINC000368477674 156350987 /nfs/dbraw/zinc/35/09/87/156350987.db2.gz IKTAEEFMWGYWDK-CYBMUJFWSA-N 1 2 279.347 2.348 20 30 CEEDLO CC[C@@H]1CC[C@H](C)N1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330308914 287110944 /nfs/dbraw/zinc/11/09/44/287110944.db2.gz 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C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000365915991 262489571 /nfs/dbraw/zinc/48/95/71/262489571.db2.gz RHIMBDLWVCUCMA-OAHLLOKOSA-N 1 2 266.348 2.134 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000365915991 262489574 /nfs/dbraw/zinc/48/95/74/262489574.db2.gz RHIMBDLWVCUCMA-OAHLLOKOSA-N 1 2 266.348 2.134 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc2c1OCO2 ZINC000271131566 262993351 /nfs/dbraw/zinc/99/33/51/262993351.db2.gz OOBIYJWXHMQIMI-SNVBAGLBSA-N 1 2 262.309 2.015 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc2c1OCO2 ZINC000271131566 262993352 /nfs/dbraw/zinc/99/33/52/262993352.db2.gz OOBIYJWXHMQIMI-SNVBAGLBSA-N 1 2 262.309 2.015 20 30 CEEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000272030739 263001479 /nfs/dbraw/zinc/00/14/79/263001479.db2.gz OYWBBHKTMLTFCN-UHFFFAOYSA-N 1 2 291.420 2.446 20 30 CEEDLO CC(C)c1nc(N2CCC(C)(C#N)CC2)nc(N(C)C)[nH+]1 ZINC000272480657 263004979 /nfs/dbraw/zinc/00/49/79/263004979.db2.gz OLNAOXICQYDSCF-UHFFFAOYSA-N 1 2 288.399 2.191 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UEQVZGWWAAOXEL-LBPRGKRZSA-N 1 2 255.321 2.386 20 30 CEEDLO C=C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000340155324 263079975 /nfs/dbraw/zinc/07/99/75/263079975.db2.gz UEQVZGWWAAOXEL-LBPRGKRZSA-N 1 2 255.321 2.386 20 30 CEEDLO C=C[C@H](CC(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000340155320 263080118 /nfs/dbraw/zinc/08/01/18/263080118.db2.gz UEQVZGWWAAOXEL-GFCCVEGCSA-N 1 2 255.321 2.386 20 30 CEEDLO C=C[C@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000340155320 263080119 /nfs/dbraw/zinc/08/01/19/263080119.db2.gz UEQVZGWWAAOXEL-GFCCVEGCSA-N 1 2 255.321 2.386 20 30 CEEDLO NC(=[NH+]OCc1cc(F)ccc1Cl)[C@@H]1CCCO1 ZINC000284406246 263086939 /nfs/dbraw/zinc/08/69/39/263086939.db2.gz NIANQBFALKERIT-NSHDSACASA-N 1 2 272.707 2.447 20 30 CEEDLO Cc1ncsc1CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000289469763 263110553 /nfs/dbraw/zinc/11/05/53/263110553.db2.gz WWMFFXLJKBDGRB-JTQLQIEISA-N 1 2 271.386 2.301 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccccc1N1CCOCC1 ZINC000292840830 263135577 /nfs/dbraw/zinc/13/55/77/263135577.db2.gz 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ZINC000331235855 264174367 /nfs/dbraw/zinc/17/43/67/264174367.db2.gz LIUXLJQETPGJFK-LBPRGKRZSA-N 1 2 276.336 2.016 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000331359072 264209017 /nfs/dbraw/zinc/20/90/17/264209017.db2.gz VZSXVQIJDYXJRM-JQWIXIFHSA-N 1 2 261.300 2.046 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000134925533 264534572 /nfs/dbraw/zinc/53/45/72/264534572.db2.gz XZJAZSJDGOSQMU-MRXNPFEDSA-N 1 2 284.363 2.486 20 30 CEEDLO C[C@H]1C[C@@H](NC(=O)NCC#Cc2ccccc2)c2[nH+]ccn21 ZINC000514582721 266003711 /nfs/dbraw/zinc/00/37/11/266003711.db2.gz UNQKIOYBEIASMX-DZGCQCFKSA-N 1 2 294.358 2.240 20 30 CEEDLO CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C[C@H](C)C#N ZINC000356477736 266121738 /nfs/dbraw/zinc/12/17/38/266121738.db2.gz PHIHPUQDGLGYPU-MGPQQGTHSA-N 1 2 265.401 2.257 20 30 CEEDLO CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C[C@H](C)C#N ZINC000356477736 266121742 /nfs/dbraw/zinc/12/17/42/266121742.db2.gz PHIHPUQDGLGYPU-MGPQQGTHSA-N 1 2 265.401 2.257 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CC1 ZINC000356738352 266167528 /nfs/dbraw/zinc/16/75/28/266167528.db2.gz HWMDEJQNPNTKGS-HUUCEWRRSA-N 1 2 292.423 2.054 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000357616877 266336935 /nfs/dbraw/zinc/33/69/35/266336935.db2.gz KASJGYXZXIBQRS-UHFFFAOYSA-N 1 2 284.403 2.132 20 30 CEEDLO Cc1c[nH]nc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368223026 267154132 /nfs/dbraw/zinc/15/41/32/267154132.db2.gz IZBABUHTKZEUAE-UHFFFAOYSA-N 1 2 281.363 2.171 20 30 CEEDLO Cc1cn[nH]c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368223026 267154133 /nfs/dbraw/zinc/15/41/33/267154133.db2.gz IZBABUHTKZEUAE-UHFFFAOYSA-N 1 2 281.363 2.171 20 30 CEEDLO CCn1nncc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000459331871 267265519 /nfs/dbraw/zinc/26/55/19/267265519.db2.gz UNZJBJDWEBZFAU-UHFFFAOYSA-N 1 2 281.363 2.334 20 30 CEEDLO CCn1nncc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000459331871 267265523 /nfs/dbraw/zinc/26/55/23/267265523.db2.gz UNZJBJDWEBZFAU-UHFFFAOYSA-N 1 2 281.363 2.334 20 30 CEEDLO Cc1cc(N2CCC3(C2)CCOCC3)c(C#N)c[nH+]1 ZINC000399549429 267334702 /nfs/dbraw/zinc/33/47/02/267334702.db2.gz BNRVTKNZHMYACN-UHFFFAOYSA-N 1 2 257.337 2.269 20 30 CEEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CCC1 ZINC000418138610 267360695 /nfs/dbraw/zinc/36/06/95/267360695.db2.gz GOTJCYVQWODEKO-UHFFFAOYSA-N 1 2 258.247 2.212 20 30 CEEDLO C=C(CNC(=O)N1CCc2c([nH+]cn2C)C1)c1ccccc1 ZINC000377033145 268042269 /nfs/dbraw/zinc/04/22/69/268042269.db2.gz SOPXZNORQXSBTN-UHFFFAOYSA-N 1 2 296.374 2.201 20 30 CEEDLO Cc1noc(C23CC(C2)C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC000528615568 268097055 /nfs/dbraw/zinc/09/70/55/268097055.db2.gz FMFJZJNQYLZVPN-UHFFFAOYSA-N 1 2 280.331 2.371 20 30 CEEDLO Cc1noc(C23CC(C2)C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC000528615568 268097057 /nfs/dbraw/zinc/09/70/57/268097057.db2.gz FMFJZJNQYLZVPN-UHFFFAOYSA-N 1 2 280.331 2.371 20 30 CEEDLO N#Cc1ccc(C2([NH2+]CC(F)F)CCOCC2)cc1 ZINC000528778841 268211153 /nfs/dbraw/zinc/21/11/53/268211153.db2.gz NQGXGAPWOGVDLH-UHFFFAOYSA-N 1 2 266.291 2.419 20 30 CEEDLO Cc1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)c(C#N)c[nH+]1 ZINC000425238508 271143205 /nfs/dbraw/zinc/14/32/05/271143205.db2.gz MQNKSTSMXSSIPS-CHWSQXEVSA-N 1 2 257.337 2.125 20 30 CEEDLO Cc1nn(C)c(C)c1CCCNc1cc(C)[nH+]cc1C#N ZINC000425248694 271146092 /nfs/dbraw/zinc/14/60/92/271146092.db2.gz RRCLQLBLWMVPFK-UHFFFAOYSA-N 1 2 283.379 2.079 20 30 CEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000336482810 276121154 /nfs/dbraw/zinc/12/11/54/276121154.db2.gz JMUWVMFRTVHKOT-UHFFFAOYSA-N 1 2 297.402 2.391 20 30 CEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000336482810 276121156 /nfs/dbraw/zinc/12/11/56/276121156.db2.gz JMUWVMFRTVHKOT-UHFFFAOYSA-N 1 2 297.402 2.391 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484662 280244618 /nfs/dbraw/zinc/24/46/18/280244618.db2.gz RXCBCNYNPKZFPP-UONOGXRCSA-N 1 2 295.402 2.494 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1ncc(C#N)cc1Cl)CC2 ZINC000374710940 281546630 /nfs/dbraw/zinc/54/66/30/281546630.db2.gz PRCPNQMPIWYYDV-UHFFFAOYSA-N 1 2 273.727 2.132 20 30 CEEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000329560759 295383802 /nfs/dbraw/zinc/38/38/02/295383802.db2.gz IYZOVCAVVJBEEP-UKRRQHHQSA-N 1 2 288.395 2.098 20 30 CEEDLO COC(=O)c1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)n1 ZINC000576480473 314281003 /nfs/dbraw/zinc/28/10/03/314281003.db2.gz WMVKTZJYRUHKJB-BXKDBHETSA-N 1 2 297.318 2.054 20 30 CEEDLO CC(C)(C#N)CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874891361 649864754 /nfs/dbraw/zinc/86/47/54/649864754.db2.gz MRZVIZKSADPQDO-AWEZNQCLSA-N 1 2 289.354 2.238 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1CCCCCC1 ZINC000563366600 328059642 /nfs/dbraw/zinc/05/96/42/328059642.db2.gz RTVXFXTVGKAFDN-LBPRGKRZSA-N 1 2 251.374 2.107 20 30 CEEDLO N#CCC[N@@H+](C[C@H](O)c1ccccc1F)CC1CC1 ZINC000267082505 328172564 /nfs/dbraw/zinc/17/25/64/328172564.db2.gz NICMJPONBBKNJL-HNNXBMFYSA-N 1 2 262.328 2.485 20 30 CEEDLO N#CCC[N@H+](C[C@H](O)c1ccccc1F)CC1CC1 ZINC000267082505 328172565 /nfs/dbraw/zinc/17/25/65/328172565.db2.gz NICMJPONBBKNJL-HNNXBMFYSA-N 1 2 262.328 2.485 20 30 CEEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000181272843 329228886 /nfs/dbraw/zinc/22/88/86/329228886.db2.gz CSDRWMQJJOZDOW-UHFFFAOYSA-N 1 2 260.337 2.336 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000181272843 329228887 /nfs/dbraw/zinc/22/88/87/329228887.db2.gz CSDRWMQJJOZDOW-UHFFFAOYSA-N 1 2 260.337 2.336 20 30 CEEDLO C=CCOc1cccc(C[NH2+]Cc2nnc(CC)[nH]2)c1 ZINC000296074402 328288948 /nfs/dbraw/zinc/28/89/48/328288948.db2.gz QAQSWTDDIXQIIW-UHFFFAOYSA-N 1 2 272.352 2.222 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@]3(C#N)CC3(C)C)cc2n1C ZINC000558871914 327128583 /nfs/dbraw/zinc/12/85/83/327128583.db2.gz VLBMAJHHNBZJPE-INIZCTEOSA-N 1 2 282.347 2.304 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000559466341 327246840 /nfs/dbraw/zinc/24/68/40/327246840.db2.gz FXIGNIDNPTZNOJ-OAHLLOKOSA-N 1 2 272.392 2.436 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000559466341 327246842 /nfs/dbraw/zinc/24/68/42/327246842.db2.gz FXIGNIDNPTZNOJ-OAHLLOKOSA-N 1 2 272.392 2.436 20 30 CEEDLO Cc1ccc(SCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000564697729 327342394 /nfs/dbraw/zinc/34/23/94/327342394.db2.gz AMJOANVMCCHDQC-HNNXBMFYSA-N 1 2 291.420 2.047 20 30 CEEDLO C=CCN1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1=O ZINC000358663336 328890225 /nfs/dbraw/zinc/89/02/25/328890225.db2.gz KHBSSJNPOQHDCK-ZDUSSCGKSA-N 1 2 288.395 2.132 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000377501697 329017110 /nfs/dbraw/zinc/01/71/10/329017110.db2.gz XEBQKWUEPZTWKW-QWHCGFSZSA-N 1 2 287.367 2.255 20 30 CEEDLO CCc1nc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)no1 ZINC000377501697 329017112 /nfs/dbraw/zinc/01/71/12/329017112.db2.gz XEBQKWUEPZTWKW-QWHCGFSZSA-N 1 2 287.367 2.255 20 30 CEEDLO C=CC1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000377972665 329036134 /nfs/dbraw/zinc/03/61/34/329036134.db2.gz YWARCHYNDSDYAU-CYBMUJFWSA-N 1 2 259.353 2.185 20 30 CEEDLO Cc1noc(C2(C)CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000378560414 329054902 /nfs/dbraw/zinc/05/49/02/329054902.db2.gz AZEQZWLEMKWVOS-ZDUSSCGKSA-N 1 2 287.367 2.175 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)CC(F)(F)F ZINC000173545669 329148911 /nfs/dbraw/zinc/14/89/11/329148911.db2.gz QAVUIHUKTKPJCO-UHFFFAOYSA-N 1 2 293.333 2.269 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)CC(F)(F)F ZINC000173545669 329148913 /nfs/dbraw/zinc/14/89/13/329148913.db2.gz QAVUIHUKTKPJCO-UHFFFAOYSA-N 1 2 293.333 2.269 20 30 CEEDLO Clc1cccc(C#CC[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185220839 329268902 /nfs/dbraw/zinc/26/89/02/329268902.db2.gz OBHJSQVQCRNWCL-MRXNPFEDSA-N 1 2 291.778 2.183 20 30 CEEDLO Clc1cccc(C#CC[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185220839 329268904 /nfs/dbraw/zinc/26/89/04/329268904.db2.gz OBHJSQVQCRNWCL-MRXNPFEDSA-N 1 2 291.778 2.183 20 30 CEEDLO C[C@@H](CCC#N)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000582968818 329295928 /nfs/dbraw/zinc/29/59/28/329295928.db2.gz WPIUWZKFNCXTOC-WCQYABFASA-N 1 2 255.325 2.176 20 30 CEEDLO Cc1ccnc2c(OC[C@@H](O)C[N@H+](C)CCC#N)cccc12 ZINC000583131229 329318113 /nfs/dbraw/zinc/31/81/13/329318113.db2.gz ZEXSFEHRSHVCFL-AWEZNQCLSA-N 1 2 299.374 2.128 20 30 CEEDLO Cc1ccnc2c(OC[C@@H](O)C[N@@H+](C)CCC#N)cccc12 ZINC000583131229 329318114 /nfs/dbraw/zinc/31/81/14/329318114.db2.gz ZEXSFEHRSHVCFL-AWEZNQCLSA-N 1 2 299.374 2.128 20 30 CEEDLO CC(C)(C)c1ccc(C[NH+]2CC(O)(CC#N)C2)cc1 ZINC000189540706 329383147 /nfs/dbraw/zinc/38/31/47/329383147.db2.gz AQMIWCZLHRWHFL-UHFFFAOYSA-N 1 2 258.365 2.444 20 30 CEEDLO CC#CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425245174 329649713 /nfs/dbraw/zinc/64/97/13/329649713.db2.gz IUCMMOVJYZNFJW-HNNXBMFYSA-N 1 2 281.359 2.461 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195043038 329690241 /nfs/dbraw/zinc/69/02/41/329690241.db2.gz JIFXNGNTFRUXOZ-CQSZACIVSA-N 1 2 287.388 2.124 20 30 CEEDLO C=CCC[C@@H]1NC(=O)N(Cc2cn3cc(C)ccc3[nH+]2)C1=O ZINC000419932291 329749731 /nfs/dbraw/zinc/74/97/31/329749731.db2.gz DNLCNVOECZBFIR-ZDUSSCGKSA-N 1 2 298.346 2.029 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000081514805 330212425 /nfs/dbraw/zinc/21/24/25/330212425.db2.gz JPMJHUGNAQBLMY-UHFFFAOYSA-N 1 2 271.364 2.172 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000081514805 330212427 /nfs/dbraw/zinc/21/24/27/330212427.db2.gz JPMJHUGNAQBLMY-UHFFFAOYSA-N 1 2 271.364 2.172 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000424118697 330244295 /nfs/dbraw/zinc/24/42/95/330244295.db2.gz CESVWTBYCMKSBX-SOUVJXGZSA-N 1 2 275.348 2.081 20 30 CEEDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424127480 330259329 /nfs/dbraw/zinc/25/93/29/330259329.db2.gz PXPZBFNLCZKIFG-XQQFMLRXSA-N 1 2 252.358 2.246 20 30 CEEDLO CCOC(=O)c1c(C)onc1C[NH+]1CCC(CC#N)CC1 ZINC000515334251 330475178 /nfs/dbraw/zinc/47/51/78/330475178.db2.gz WSWBCILZCZYHOA-UHFFFAOYSA-N 1 2 291.351 2.285 20 30 CEEDLO N#CCC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000431177757 330581120 /nfs/dbraw/zinc/58/11/20/330581120.db2.gz ZBVHOLBPWONXCX-UHFFFAOYSA-N 1 2 294.358 2.355 20 30 CEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448658234 330772303 /nfs/dbraw/zinc/77/23/03/330772303.db2.gz BMYCIRAVTIAEAH-DYVFJYSZSA-N 1 2 294.358 2.097 20 30 CEEDLO C=CCCCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000447961544 330881447 /nfs/dbraw/zinc/88/14/47/330881447.db2.gz CBAFJLNEBWJMSU-ZDUSSCGKSA-N 1 2 276.384 2.334 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H](CC)C1CCCC1)C(=O)OC ZINC000449297546 330912619 /nfs/dbraw/zinc/91/26/19/330912619.db2.gz DHFDMQXHVQECRC-KBPBESRZSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)OCC ZINC000449654068 330942061 /nfs/dbraw/zinc/94/20/61/330942061.db2.gz DEQSYRNMSRPMAK-MROQNXINSA-N 1 2 255.358 2.040 20 30 CEEDLO C=CCC[C@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000450899074 331005834 /nfs/dbraw/zinc/00/58/34/331005834.db2.gz SFNJPEGJTJQYCO-CYBMUJFWSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CCC[C@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000450899074 331005835 /nfs/dbraw/zinc/00/58/35/331005835.db2.gz SFNJPEGJTJQYCO-CYBMUJFWSA-N 1 2 276.384 2.206 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@]1(C#N)C[C@H]1C ZINC000451192945 331019783 /nfs/dbraw/zinc/01/97/83/331019783.db2.gz WWHFIWKJEYCRNE-CJNGLKHVSA-N 1 2 288.395 2.234 20 30 CEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000451255255 331022079 /nfs/dbraw/zinc/02/20/79/331022079.db2.gz QSVNLDKZBFTJBE-PSLIRLAXSA-N 1 2 283.335 2.117 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC000451607360 331036467 /nfs/dbraw/zinc/03/64/67/331036467.db2.gz PSOOCXQUDMKZFL-KGLIPLIRSA-N 1 2 285.347 2.478 20 30 CEEDLO C=CCSCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454431462 331145951 /nfs/dbraw/zinc/14/59/51/331145951.db2.gz MSPKMUULFRBIKL-GHMZBOCLSA-N 1 2 280.397 2.107 20 30 CEEDLO C=C(CC)CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000454471839 331146993 /nfs/dbraw/zinc/14/69/93/331146993.db2.gz OVTXPPJAAKUXHO-UHFFFAOYSA-N 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PVWIRAVYGLWDFX-UHFFFAOYSA-N 1 2 297.406 2.481 20 30 CEEDLO C=CCN(CCc1ccccc1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488369839 332002482 /nfs/dbraw/zinc/00/24/82/332002482.db2.gz PVWIRAVYGLWDFX-UHFFFAOYSA-N 1 2 297.406 2.481 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000488781756 332025367 /nfs/dbraw/zinc/02/53/67/332025367.db2.gz MEVWSKULVKLGNW-CQSZACIVSA-N 1 2 296.374 2.078 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000489022405 332038122 /nfs/dbraw/zinc/03/81/22/332038122.db2.gz MSXUIGQOIZPNSJ-CQSZACIVSA-N 1 2 298.390 2.486 20 30 CEEDLO C=CCn1cccc1C(=O)Nc1c[nH+]ccc1OC ZINC000489986178 332075713 /nfs/dbraw/zinc/07/57/13/332075713.db2.gz BBJWSZLVOVKILD-UHFFFAOYSA-N 1 2 257.293 2.330 20 30 CEEDLO C=CCN(C)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000490043240 332078003 /nfs/dbraw/zinc/07/80/03/332078003.db2.gz JYEUSUFVIMEMQK-UHFFFAOYSA-N 1 2 255.321 2.439 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000490689812 332104632 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/nfs/dbraw/zinc/11/03/76/334110376.db2.gz QCJZDINXKOMPNY-HNNXBMFYSA-N 1 2 290.794 2.244 20 30 CEEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062797 334177982 /nfs/dbraw/zinc/17/79/82/334177982.db2.gz NOEZRSGZSJMRQS-UKRRQHHQSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062797 334177983 /nfs/dbraw/zinc/17/79/83/334177983.db2.gz NOEZRSGZSJMRQS-UKRRQHHQSA-N 1 2 277.412 2.307 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000555134671 334469338 /nfs/dbraw/zinc/46/93/38/334469338.db2.gz CLJORDGLVFQEJB-HNNXBMFYSA-N 1 2 282.347 2.353 20 30 CEEDLO N#C[C@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000565727237 334592232 /nfs/dbraw/zinc/59/22/32/334592232.db2.gz DZQLJNDMWKXQBF-AWEZNQCLSA-N 1 2 262.378 2.317 20 30 CEEDLO CCC[C@@H]1CCC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995846 334782787 /nfs/dbraw/zinc/78/27/87/334782787.db2.gz WWXWGDWFBVFYIV-NFAWXSAZSA-N 1 2 265.401 2.163 20 30 CEEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)on1 ZINC000568388731 334821844 /nfs/dbraw/zinc/82/18/44/334821844.db2.gz QHYLKJQXLXLPGE-GFCCVEGCSA-N 1 2 290.367 2.326 20 30 CEEDLO COC(=O)[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCC[C@@H](OC)C1 ZINC000568889796 334845458 /nfs/dbraw/zinc/84/54/58/334845458.db2.gz VYGTVHYEBYTJFM-BFHYXJOUSA-N 1 2 296.411 2.263 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569116074 334856322 /nfs/dbraw/zinc/85/63/22/334856322.db2.gz FPUJMCXQRSZHHQ-GDBMZVCRSA-N 1 2 296.374 2.336 20 30 CEEDLO Cc1c(Cl)cccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572934008 334892151 /nfs/dbraw/zinc/89/21/51/334892151.db2.gz LZDHLSSGFUWRHT-AWEZNQCLSA-N 1 2 279.771 2.222 20 30 CEEDLO N#C[C@H]1CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000577986852 335448971 /nfs/dbraw/zinc/44/89/71/335448971.db2.gz QYJATYSKPLOTOK-GXTWGEPZSA-N 1 2 267.336 2.431 20 30 CEEDLO Cc1ccc[nH+]c1CCc1noc([C@]2(C#N)C[C@H]2C)n1 ZINC000351132947 335572352 /nfs/dbraw/zinc/57/23/52/335572352.db2.gz QGYZBEBWGDDRGQ-ABAIWWIYSA-N 1 2 268.320 2.359 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000180366037 335577204 /nfs/dbraw/zinc/57/72/04/335577204.db2.gz OLUOKNZSQZMBBY-CQSZACIVSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCN(CC1CCCCC1)C(=O)Cn1cc[nH+]c1 ZINC000581224744 336026819 /nfs/dbraw/zinc/02/68/19/336026819.db2.gz OCMJRTJISBAQNN-UHFFFAOYSA-N 1 2 261.369 2.478 20 30 CEEDLO C[C@@H]1OCC[C@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329129965 534191466 /nfs/dbraw/zinc/19/14/66/534191466.db2.gz WOYJCSSDAHZVJE-CMPLNLGQSA-N 1 2 263.341 2.101 20 30 CEEDLO Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)c1 ZINC000336233560 534707167 /nfs/dbraw/zinc/70/71/67/534707167.db2.gz DJLSBMXSIRYVMX-YJBOKZPZSA-N 1 2 297.402 2.189 20 30 CEEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000172675203 534713006 /nfs/dbraw/zinc/71/30/06/534713006.db2.gz FNCMQCDQMSLUNT-UHFFFAOYSA-N 1 2 287.344 2.371 20 30 CEEDLO N#Cc1c(NCc2ccn3cc[nH+]c3c2)nc2ccccn12 ZINC000357482221 534765858 /nfs/dbraw/zinc/76/58/58/534765858.db2.gz HZZKIGSYIKHNQV-UHFFFAOYSA-N 1 2 288.314 2.466 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)NCCCC)Cc1ccc(CO)o1 ZINC000352870757 526510490 /nfs/dbraw/zinc/51/04/90/526510490.db2.gz RXCNWJKBYPFXPM-UHFFFAOYSA-N 1 2 294.395 2.066 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)NCCCC)Cc1ccc(CO)o1 ZINC000352870757 526510493 /nfs/dbraw/zinc/51/04/93/526510493.db2.gz RXCNWJKBYPFXPM-UHFFFAOYSA-N 1 2 294.395 2.066 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](CC)C(=O)OCC ZINC000352806710 526561879 /nfs/dbraw/zinc/56/18/79/526561879.db2.gz VGYDKRGWYWDNOD-HNNXBMFYSA-N 1 2 295.379 2.492 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](CC)C(=O)OCC ZINC000352806710 526561882 /nfs/dbraw/zinc/56/18/82/526561882.db2.gz VGYDKRGWYWDNOD-HNNXBMFYSA-N 1 2 295.379 2.492 20 30 CEEDLO N#Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000299362068 526645532 /nfs/dbraw/zinc/64/55/32/526645532.db2.gz PZWLWDXJTDNCLD-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C=C(CC)C[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@H](C)O ZINC000351958497 526851391 /nfs/dbraw/zinc/85/13/91/526851391.db2.gz NKDJGANRLNDPAE-GOEBONIOSA-N 1 2 291.391 2.377 20 30 CEEDLO C=C(CC)C[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@H](C)O ZINC000351958497 526851393 /nfs/dbraw/zinc/85/13/93/526851393.db2.gz NKDJGANRLNDPAE-GOEBONIOSA-N 1 2 291.391 2.377 20 30 CEEDLO CC(=O)N[C@H](CC1CCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000330228217 527545235 /nfs/dbraw/zinc/54/52/35/527545235.db2.gz PMYFYZPWKUZDSQ-GFCCVEGCSA-N 1 2 264.329 2.401 20 30 CEEDLO CC(=O)N[C@H](CC1CCC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000330228217 527545239 /nfs/dbraw/zinc/54/52/39/527545239.db2.gz PMYFYZPWKUZDSQ-GFCCVEGCSA-N 1 2 264.329 2.401 20 30 CEEDLO C=C[C@H](C)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000354968353 527556785 /nfs/dbraw/zinc/55/67/85/527556785.db2.gz FRGBJVDDDTUISW-NSHDSACASA-N 1 2 257.337 2.289 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352003726 527927179 /nfs/dbraw/zinc/92/71/79/527927179.db2.gz 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2.222 20 30 CEEDLO N#Cc1ccc(C2=CC[N@@H+](CN3CCOC3=S)CC2)cc1 ZINC000767985999 646066693 /nfs/dbraw/zinc/06/66/93/646066693.db2.gz AHIRJGYSGZAMMN-UHFFFAOYSA-N 1 2 299.399 2.222 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)s1 ZINC000769297616 646237998 /nfs/dbraw/zinc/23/79/98/646237998.db2.gz GPKKMTVTIDLQJI-ZDUSSCGKSA-N 1 2 278.377 2.347 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)s1 ZINC000769297616 646238004 /nfs/dbraw/zinc/23/80/04/646238004.db2.gz GPKKMTVTIDLQJI-ZDUSSCGKSA-N 1 2 278.377 2.347 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769468522 646273954 /nfs/dbraw/zinc/27/39/54/646273954.db2.gz KARVDQOTROXFFV-UHFFFAOYSA-N 1 2 295.390 2.318 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769468522 646273955 /nfs/dbraw/zinc/27/39/55/646273955.db2.gz KARVDQOTROXFFV-UHFFFAOYSA-N 1 2 295.390 2.318 20 30 CEEDLO N#CCCN(CC1CC1)C(=O)c1cccc2[nH+]ccn21 ZINC000770419296 646390860 /nfs/dbraw/zinc/39/08/60/646390860.db2.gz ZKYZPNHNFCMORR-UHFFFAOYSA-N 1 2 268.320 2.100 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)C2(C#N)CCC2)c1C ZINC000119630022 646806922 /nfs/dbraw/zinc/80/69/22/646806922.db2.gz WTZKCINNUYBGNC-UHFFFAOYSA-N 1 2 273.336 2.017 20 30 CEEDLO C=C(C)CC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000775589223 646969827 /nfs/dbraw/zinc/96/98/27/646969827.db2.gz NCLXGYARIMNYMH-LBPRGKRZSA-N 1 2 263.341 2.287 20 30 CEEDLO C=C(C)CC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000775589223 646969828 /nfs/dbraw/zinc/96/98/28/646969828.db2.gz NCLXGYARIMNYMH-LBPRGKRZSA-N 1 2 263.341 2.287 20 30 CEEDLO C[N@@H+]1CCN(C(=O)c2coc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000864677687 647082627 /nfs/dbraw/zinc/08/26/27/647082627.db2.gz SAMZRNDRBFGLPK-INIZCTEOSA-N 1 2 295.342 2.280 20 30 CEEDLO C[N@H+]1CCN(C(=O)c2coc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000864677687 647082632 /nfs/dbraw/zinc/08/26/32/647082632.db2.gz SAMZRNDRBFGLPK-INIZCTEOSA-N 1 2 295.342 2.280 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000777959499 647192598 /nfs/dbraw/zinc/19/25/98/647192598.db2.gz MFTXBGBLSGIHLK-ZDUSSCGKSA-N 1 2 287.363 2.309 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000777959499 647192603 /nfs/dbraw/zinc/19/26/03/647192603.db2.gz MFTXBGBLSGIHLK-ZDUSSCGKSA-N 1 2 287.363 2.309 20 30 CEEDLO C=CCCn1cc(Cn2c[nH+]c(C(C)(C)C)c2)nn1 ZINC000865376651 647265638 /nfs/dbraw/zinc/26/56/38/647265638.db2.gz XLVVPWRSKQVCMC-UHFFFAOYSA-N 1 2 259.357 2.397 20 30 CEEDLO Cc1nnc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000780001695 647381092 /nfs/dbraw/zinc/38/10/92/647381092.db2.gz SSKGWNBYRNPJNI-SNVBAGLBSA-N 1 2 288.376 2.427 20 30 CEEDLO C#CCCOC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000781039475 647493787 /nfs/dbraw/zinc/49/37/87/647493787.db2.gz XJWLKAILPXHYFP-UHFFFAOYSA-N 1 2 292.404 2.230 20 30 CEEDLO NC(=[NH+]OCc1ccon1)c1ccc(Br)cc1 ZINC000782950352 647665383 /nfs/dbraw/zinc/66/53/83/647665383.db2.gz WKHOKDARMNZODU-UHFFFAOYSA-N 1 2 296.124 2.274 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc(C#N)c1O ZINC000866262577 647702187 /nfs/dbraw/zinc/70/21/87/647702187.db2.gz CDPDHSQNTCWKJB-SWLSCSKDSA-N 1 2 285.391 2.399 20 30 CEEDLO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866277004 647713176 /nfs/dbraw/zinc/71/31/76/647713176.db2.gz GZBNGACPPDQACQ-OLZOCXBDSA-N 1 2 273.380 2.256 20 30 CEEDLO C#CCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000783571737 647730731 /nfs/dbraw/zinc/73/07/31/647730731.db2.gz QLENXFIYDRIKLW-AWEZNQCLSA-N 1 2 279.767 2.427 20 30 CEEDLO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(C#N)c1O ZINC000866353427 647752715 /nfs/dbraw/zinc/75/27/15/647752715.db2.gz SQBPVHSOAARWMF-GIPWTMENSA-N 1 2 292.404 2.216 20 30 CEEDLO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(C#N)c1O ZINC000866356922 647753135 /nfs/dbraw/zinc/75/31/35/647753135.db2.gz PGGZKLDBXJHGNM-IUODEOHRSA-N 1 2 297.358 2.086 20 30 CEEDLO C[C@H](CCCCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866363948 647756376 /nfs/dbraw/zinc/75/63/76/647756376.db2.gz OFFWBOMRXMXWLI-VXGBXAGGSA-N 1 2 262.353 2.466 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000866364705 647757906 /nfs/dbraw/zinc/75/79/06/647757906.db2.gz TXEODDIBWROKLP-MFKMUULPSA-N 1 2 260.337 2.482 20 30 CEEDLO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866370141 647761284 /nfs/dbraw/zinc/76/12/84/647761284.db2.gz RRJBOEDGXRSQBN-WCQYABFASA-N 1 2 260.337 2.242 20 30 CEEDLO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C#N)c1O ZINC000866383237 647765698 /nfs/dbraw/zinc/76/56/98/647765698.db2.gz IGJPOAKYRFVXRT-FRJFDASCSA-N 1 2 258.321 2.234 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C#N)c1O ZINC000866389405 647769397 /nfs/dbraw/zinc/76/93/97/647769397.db2.gz GKOHUZVEOCRXRN-YPMHNXCESA-N 1 2 274.364 2.323 20 30 CEEDLO C#CCC1(C(=O)NCCc2[nH]cc[nH+]2)CCCCC1 ZINC000788511760 648197276 /nfs/dbraw/zinc/19/72/76/648197276.db2.gz XBCFNLNWONOFCV-UHFFFAOYSA-N 1 2 259.353 2.042 20 30 CEEDLO CCN(C)c1ccc(C=[NH+]NC(=S)NC(C)(C)C)cn1 ZINC000790149563 648386735 /nfs/dbraw/zinc/38/67/35/648386735.db2.gz FBVRSZJSSYLVGO-UHFFFAOYSA-N 1 2 293.440 2.134 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)[C@@H]1CCCO1 ZINC000790992277 648470246 /nfs/dbraw/zinc/47/02/46/648470246.db2.gz WJNCXQIPRIXQNZ-CVEARBPZSA-N 1 2 281.359 2.143 20 30 CEEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1 ZINC000791010350 648471552 /nfs/dbraw/zinc/47/15/52/648471552.db2.gz ZCRLGSWWLCRVMC-LBPRGKRZSA-N 1 2 299.378 2.424 20 30 CEEDLO Cc1cccn2c(CN=Nc3ncncc3F)c[nH+]c12 ZINC000793210588 648723872 /nfs/dbraw/zinc/72/38/72/648723872.db2.gz KLIHXLGXEOLURZ-UHFFFAOYSA-N 1 2 270.271 2.018 20 30 CEEDLO Cc1ccn(C[NH+]2CCC(C3CC3)CC2)c(=O)c1C#N ZINC000793617405 648782646 /nfs/dbraw/zinc/78/26/46/648782646.db2.gz QIWNNQOOHRHIDW-UHFFFAOYSA-N 1 2 271.364 2.108 20 30 CEEDLO N#Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000794249350 648843987 /nfs/dbraw/zinc/84/39/87/648843987.db2.gz KSLIQETYAUDOSZ-UHFFFAOYSA-N 1 2 292.298 2.267 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000794574278 648886684 /nfs/dbraw/zinc/88/66/84/648886684.db2.gz FQXLULNAJRFDFY-UHFFFAOYSA-N 1 2 274.393 2.387 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000794574278 648886690 /nfs/dbraw/zinc/88/66/90/648886690.db2.gz FQXLULNAJRFDFY-UHFFFAOYSA-N 1 2 274.393 2.387 20 30 CEEDLO CC[C@@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794619013 648894432 /nfs/dbraw/zinc/89/44/32/648894432.db2.gz DPZLTBNUXMQVJX-LLVKDONJSA-N 1 2 279.413 2.097 20 30 CEEDLO CC[C@@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794619013 648894435 /nfs/dbraw/zinc/89/44/35/648894435.db2.gz DPZLTBNUXMQVJX-LLVKDONJSA-N 1 2 279.413 2.097 20 30 CEEDLO Cc1cc([N-][NH+]=C2CCCNc3ccccc32)nc(N)[nH+]1 ZINC000872420700 649386649 /nfs/dbraw/zinc/38/66/49/649386649.db2.gz MJFGUWRBXSZITC-UHFFFAOYSA-N 1 2 282.351 2.389 20 30 CEEDLO Cc1cc(N=NC(C)C[NH+]2Cc3ccccc3C2)nc(N)n1 ZINC000872420870 649386742 /nfs/dbraw/zinc/38/67/42/649386742.db2.gz PYUCIFYGAJUKLU-UHFFFAOYSA-N 1 2 296.378 2.171 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCc1nonc1C ZINC000872777601 649484656 /nfs/dbraw/zinc/48/46/56/649484656.db2.gz IJUGOFOSOMFKOK-UHFFFAOYSA-N 1 2 272.308 2.177 20 30 CEEDLO C#C[C@H]1CC[C@H](Nc2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000872778919 649485963 /nfs/dbraw/zinc/48/59/63/649485963.db2.gz KFQDPBFBZDXFGM-MQMHXKEQSA-N 1 2 272.348 2.401 20 30 CEEDLO CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C#N)CC2)cc1 ZINC000873389350 649664175 /nfs/dbraw/zinc/66/41/75/649664175.db2.gz SIPSQROFFGHWAM-UHFFFAOYSA-N 1 2 299.418 2.443 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878517663 651118937 /nfs/dbraw/zinc/11/89/37/651118937.db2.gz UCRCPKBRXPGAFY-JTQLQIEISA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878517663 651118938 /nfs/dbraw/zinc/11/89/38/651118938.db2.gz UCRCPKBRXPGAFY-JTQLQIEISA-N 1 2 286.291 2.098 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C(=O)OC)[nH]c1C ZINC000878523589 651120433 /nfs/dbraw/zinc/12/04/33/651120433.db2.gz FXVVUPSEUYDNNN-GFCCVEGCSA-N 1 2 290.363 2.333 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C(=O)OC)[nH]c1C ZINC000878523589 651120435 /nfs/dbraw/zinc/12/04/35/651120435.db2.gz FXVVUPSEUYDNNN-GFCCVEGCSA-N 1 2 290.363 2.333 20 30 CEEDLO Cc1conc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000878803130 651188684 /nfs/dbraw/zinc/18/86/84/651188684.db2.gz WSKOKXLQBCXLJQ-OAHLLOKOSA-N 1 2 271.320 2.020 20 30 CEEDLO Cc1conc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000878803130 651188685 /nfs/dbraw/zinc/18/86/85/651188685.db2.gz WSKOKXLQBCXLJQ-OAHLLOKOSA-N 1 2 271.320 2.020 20 30 CEEDLO C[N@H+](Cc1ccc(-n2ccnc2)nc1)[C@H]1CCC[C@@H]1C#N ZINC000879311264 651281801 /nfs/dbraw/zinc/28/18/01/651281801.db2.gz PNRHJTQFHBYBPY-CABCVRRESA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@H]1CCC[C@@H]1C#N ZINC000879311264 651281805 /nfs/dbraw/zinc/28/18/05/651281805.db2.gz PNRHJTQFHBYBPY-CABCVRRESA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000879311266 651282039 /nfs/dbraw/zinc/28/20/39/651282039.db2.gz PNRHJTQFHBYBPY-HUUCEWRRSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000879311266 651282040 /nfs/dbraw/zinc/28/20/40/651282040.db2.gz PNRHJTQFHBYBPY-HUUCEWRRSA-N 1 2 281.363 2.391 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879480762 651309836 /nfs/dbraw/zinc/30/98/36/651309836.db2.gz YWJMFCGXGNTLFA-YOEHRIQHSA-N 1 2 288.366 2.085 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879480762 651309839 /nfs/dbraw/zinc/30/98/39/651309839.db2.gz YWJMFCGXGNTLFA-YOEHRIQHSA-N 1 2 288.366 2.085 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737771 651345238 /nfs/dbraw/zinc/34/52/38/651345238.db2.gz IYDYJSAFKYQEGJ-INIZCTEOSA-N 1 2 277.364 2.271 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737771 651345240 /nfs/dbraw/zinc/34/52/40/651345240.db2.gz IYDYJSAFKYQEGJ-INIZCTEOSA-N 1 2 277.364 2.271 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CF)C2)c(C#N)c1C ZINC000880232606 651404801 /nfs/dbraw/zinc/40/48/01/651404801.db2.gz OKMRHHUZRZPGOC-LBPRGKRZSA-N 1 2 293.342 2.388 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CF)C2)c(C#N)c1C ZINC000880232606 651404802 /nfs/dbraw/zinc/40/48/02/651404802.db2.gz OKMRHHUZRZPGOC-LBPRGKRZSA-N 1 2 293.342 2.388 20 30 CEEDLO COC(=O)c1cccc(C[NH+]2CCC(F)CC2)c1C#N ZINC000880240273 651407217 /nfs/dbraw/zinc/40/72/17/651407217.db2.gz SCHJHZPCVJWWMQ-UHFFFAOYSA-N 1 2 276.311 2.279 20 30 CEEDLO C#CCC1(O)CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000882971125 652295845 /nfs/dbraw/zinc/29/58/45/652295845.db2.gz YTZLGRSQSSPDNF-UHFFFAOYSA-N 1 2 271.364 2.017 20 30 CEEDLO C=C(C)C[C@H](CO)Nc1cc(NCCC)[nH+]cn1 ZINC000883005448 652319406 /nfs/dbraw/zinc/31/94/06/652319406.db2.gz NEVJGNPUECDNAM-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C=C(C)C[C@H](CO)Nc1cc(NCCC)nc[nH+]1 ZINC000883005448 652319408 /nfs/dbraw/zinc/31/94/08/652319408.db2.gz NEVJGNPUECDNAM-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)cc1C ZINC000884045134 652655544 /nfs/dbraw/zinc/65/55/44/652655544.db2.gz JBVIUOKIBPPKQY-NSHDSACASA-N 1 2 296.754 2.034 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)ccc1Cl ZINC000884068089 652693691 /nfs/dbraw/zinc/69/36/91/652693691.db2.gz CIWLERJENMZSFB-NSHDSACASA-N 1 2 296.754 2.034 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000884612392 652942722 /nfs/dbraw/zinc/94/27/22/652942722.db2.gz KLRZUWDYKKNGKM-LBPRGKRZSA-N 1 2 274.755 2.116 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000884612392 652942726 /nfs/dbraw/zinc/94/27/26/652942726.db2.gz KLRZUWDYKKNGKM-LBPRGKRZSA-N 1 2 274.755 2.116 20 30 CEEDLO CN(C)c1ncccc1C=[NH+]Nc1ccnc(F)c1 ZINC001117530437 814928565 /nfs/dbraw/zinc/92/85/65/814928565.db2.gz PPVQIWNUXXIMHY-UHFFFAOYSA-N 1 2 259.288 2.128 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001030357986 807153882 /nfs/dbraw/zinc/15/38/82/807153882.db2.gz QKZUFXSYXULKBJ-AWEZNQCLSA-N 1 2 262.397 2.499 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038502784 806847276 /nfs/dbraw/zinc/84/72/76/806847276.db2.gz SMDRDEFOVKGCPI-OAHLLOKOSA-N 1 2 270.376 2.076 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038502784 806847286 /nfs/dbraw/zinc/84/72/86/806847286.db2.gz SMDRDEFOVKGCPI-OAHLLOKOSA-N 1 2 270.376 2.076 20 30 CEEDLO Cc1nc(Nc2c[nH+]c(C)c(N)c2)c(C#N)cc1C#N ZINC001210286753 802666155 /nfs/dbraw/zinc/66/61/55/802666155.db2.gz BDNKKAUMJPKQQN-UHFFFAOYSA-N 1 2 264.292 2.163 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001038383685 807000172 /nfs/dbraw/zinc/00/01/72/807000172.db2.gz SIKLZKRJQFOPRC-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(-c2ccccc2)o1 ZINC001038383685 807000180 /nfs/dbraw/zinc/00/01/80/807000180.db2.gz SIKLZKRJQFOPRC-AWEZNQCLSA-N 1 2 297.358 2.332 20 30 CEEDLO C#CC[C@@H](COC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724375349 803093778 /nfs/dbraw/zinc/09/37/78/803093778.db2.gz DVZROODTTYUGBC-NSHDSACASA-N 1 2 250.342 2.100 20 30 CEEDLO C#CC[C@H](COC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724375347 803094147 /nfs/dbraw/zinc/09/41/47/803094147.db2.gz DVZROODTTYUGBC-LLVKDONJSA-N 1 2 250.342 2.100 20 30 CEEDLO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001267168238 803187711 /nfs/dbraw/zinc/18/77/11/803187711.db2.gz PJZJFFPTQZHAOL-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(F)C(F)(F)F ZINC001267168238 803187714 /nfs/dbraw/zinc/18/77/14/803187714.db2.gz PJZJFFPTQZHAOL-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001267168238 803187717 /nfs/dbraw/zinc/18/77/17/803187717.db2.gz PJZJFFPTQZHAOL-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001267168238 803187722 /nfs/dbraw/zinc/18/77/22/803187722.db2.gz PJZJFFPTQZHAOL-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO N#CC1(c2ccnc(NCc3cc[nH+]c(N)c3)c2)CC1 ZINC001167617335 803204082 /nfs/dbraw/zinc/20/40/82/803204082.db2.gz OUILZBSXVAATTM-UHFFFAOYSA-N 1 2 265.320 2.226 20 30 CEEDLO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198170 803222791 /nfs/dbraw/zinc/22/27/91/803222791.db2.gz GQUPNYGDBBZHPA-ZJUUUORDSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198170 803222795 /nfs/dbraw/zinc/22/27/95/803222795.db2.gz GQUPNYGDBBZHPA-ZJUUUORDSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001267198170 803222798 /nfs/dbraw/zinc/22/27/98/803222798.db2.gz GQUPNYGDBBZHPA-ZJUUUORDSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001267198170 803222803 /nfs/dbraw/zinc/22/28/03/803222803.db2.gz GQUPNYGDBBZHPA-ZJUUUORDSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098222612 803259693 /nfs/dbraw/zinc/25/96/93/803259693.db2.gz LSDQCTMERGUCNO-LLVKDONJSA-N 1 2 262.357 2.058 20 30 CEEDLO N#Cc1ccc(CCNc2c(F)cc[nH+]c2N)cc1 ZINC001167678695 803470458 /nfs/dbraw/zinc/47/04/58/803470458.db2.gz VNOMJBLZOFTIAM-UHFFFAOYSA-N 1 2 256.284 2.329 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001038299713 803492500 /nfs/dbraw/zinc/49/25/00/803492500.db2.gz IHLDONZUPKCKIY-GFCCVEGCSA-N 1 2 264.394 2.355 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001038299713 803492503 /nfs/dbraw/zinc/49/25/03/803492503.db2.gz IHLDONZUPKCKIY-GFCCVEGCSA-N 1 2 264.394 2.355 20 30 CEEDLO C=C(C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001283619041 803515749 /nfs/dbraw/zinc/51/57/49/803515749.db2.gz NEYASECDFFSJMX-VXGBXAGGSA-N 1 2 294.399 2.232 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1Cl ZINC001140808077 803559050 /nfs/dbraw/zinc/55/90/50/803559050.db2.gz KAZLSFBFKQGBJY-NEPJUHHUSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1Cl ZINC001140808077 803559057 /nfs/dbraw/zinc/55/90/57/803559057.db2.gz KAZLSFBFKQGBJY-NEPJUHHUSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1Cl ZINC001140808084 803559081 /nfs/dbraw/zinc/55/90/81/803559081.db2.gz KAZLSFBFKQGBJY-VXGBXAGGSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1Cl ZINC001140808084 803559086 /nfs/dbraw/zinc/55/90/86/803559086.db2.gz KAZLSFBFKQGBJY-VXGBXAGGSA-N 1 2 268.719 2.116 20 30 CEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001267612151 803615762 /nfs/dbraw/zinc/61/57/62/803615762.db2.gz YXMABYLQAWRFSS-CYBMUJFWSA-N 1 2 268.788 2.123 20 30 CEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001267612151 803615767 /nfs/dbraw/zinc/61/57/67/803615767.db2.gz YXMABYLQAWRFSS-CYBMUJFWSA-N 1 2 268.788 2.123 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001267738171 803689196 /nfs/dbraw/zinc/68/91/96/803689196.db2.gz BAMIXVWYSMNYKL-CYBMUJFWSA-N 1 2 293.798 2.392 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001267738171 803689201 /nfs/dbraw/zinc/68/92/01/803689201.db2.gz BAMIXVWYSMNYKL-CYBMUJFWSA-N 1 2 293.798 2.392 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC#CC)C1 ZINC001267770032 803722891 /nfs/dbraw/zinc/72/28/91/803722891.db2.gz FPCCCVALJMNCGL-CQSZACIVSA-N 1 2 282.815 2.465 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC#CC)C1 ZINC001267770032 803722896 /nfs/dbraw/zinc/72/28/96/803722896.db2.gz FPCCCVALJMNCGL-CQSZACIVSA-N 1 2 282.815 2.465 20 30 CEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CC)C1 ZINC001027256604 803998327 /nfs/dbraw/zinc/99/83/27/803998327.db2.gz GIFDJFOADYGWLE-NSHDSACASA-N 1 2 289.217 2.228 20 30 CEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CC)C1 ZINC001027256604 803998323 /nfs/dbraw/zinc/99/83/23/803998323.db2.gz GIFDJFOADYGWLE-NSHDSACASA-N 1 2 289.217 2.228 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686779 804463322 /nfs/dbraw/zinc/46/33/22/804463322.db2.gz DDUNAIDZURQZSG-NSHDSACASA-N 1 2 250.729 2.432 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686779 804463326 /nfs/dbraw/zinc/46/33/26/804463326.db2.gz DDUNAIDZURQZSG-NSHDSACASA-N 1 2 250.729 2.432 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001028118692 804474481 /nfs/dbraw/zinc/47/44/81/804474481.db2.gz GBXMJPUXDVIYFJ-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001028118692 804474483 /nfs/dbraw/zinc/47/44/83/804474483.db2.gz GBXMJPUXDVIYFJ-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C1=CCCC1 ZINC001038156884 804477246 /nfs/dbraw/zinc/47/72/46/804477246.db2.gz GIIASWZDWVECRC-SFHVURJKSA-N 1 2 294.398 2.339 20 30 CEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C1=CCCC1 ZINC001038156884 804477248 /nfs/dbraw/zinc/47/72/48/804477248.db2.gz GIIASWZDWVECRC-SFHVURJKSA-N 1 2 294.398 2.339 20 30 CEEDLO CC(C)(C)OC(=O)[C@H](C#N)c1cccc(NC=[NH2+])n1 ZINC001167864340 804513917 /nfs/dbraw/zinc/51/39/17/804513917.db2.gz LWZBUQGPVUMEFU-SECBINFHSA-N 1 2 260.297 2.049 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)CC2(C=C)CCCCC2)C1 ZINC001268456071 804699475 /nfs/dbraw/zinc/69/94/75/804699475.db2.gz TWBNMIKEDQOYIJ-UHFFFAOYSA-N 1 2 262.397 2.499 20 30 CEEDLO C=CCC1(C(=O)NC2C[NH+](CCCF)C2)CCCC1 ZINC001268495697 804765513 /nfs/dbraw/zinc/76/55/13/804765513.db2.gz ABTANDQCFGQOBA-UHFFFAOYSA-N 1 2 268.376 2.283 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1conc1C ZINC001269239575 805098290 /nfs/dbraw/zinc/09/82/90/805098290.db2.gz BRXFOFJHWPYPBE-CQSZACIVSA-N 1 2 277.368 2.030 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1conc1C ZINC001269239575 805098300 /nfs/dbraw/zinc/09/83/00/805098300.db2.gz BRXFOFJHWPYPBE-CQSZACIVSA-N 1 2 277.368 2.030 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001270638812 805501852 /nfs/dbraw/zinc/50/18/52/805501852.db2.gz RPBKIZXBVGJOMX-AWEZNQCLSA-N 1 2 296.386 2.177 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001270638812 805501859 /nfs/dbraw/zinc/50/18/59/805501859.db2.gz RPBKIZXBVGJOMX-AWEZNQCLSA-N 1 2 296.386 2.177 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H]1CC ZINC001087482996 805563699 /nfs/dbraw/zinc/56/36/99/805563699.db2.gz KLPVBTYOSZXDSS-VHSXEESVSA-N 1 2 280.746 2.363 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H]1CC ZINC001087482996 805563705 /nfs/dbraw/zinc/56/37/05/805563705.db2.gz KLPVBTYOSZXDSS-VHSXEESVSA-N 1 2 280.746 2.363 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001030405331 807170446 /nfs/dbraw/zinc/17/04/46/807170446.db2.gz SXKRVAWWFLTOEA-UHFFFAOYSA-N 1 2 282.387 2.391 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC001088928154 807280077 /nfs/dbraw/zinc/28/00/77/807280077.db2.gz PMWPBHCLRLYARR-OCCSQVGLSA-N 1 2 293.798 2.335 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC001088928154 807280080 /nfs/dbraw/zinc/28/00/80/807280080.db2.gz PMWPBHCLRLYARR-OCCSQVGLSA-N 1 2 293.798 2.335 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc3ccccc3s2)C1 ZINC001030669867 807300987 /nfs/dbraw/zinc/30/09/87/807300987.db2.gz UERXLULYXIKUBZ-UHFFFAOYSA-N 1 2 298.411 2.268 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C1 ZINC001030853153 807429510 /nfs/dbraw/zinc/42/95/10/807429510.db2.gz SLGSXEFRNXAFBQ-MNOVXSKESA-N 1 2 290.329 2.342 20 30 CEEDLO CNc1ccc(Nc2nc(C)c(C#N)cc2C#N)c[nH+]1 ZINC001203450218 807441152 /nfs/dbraw/zinc/44/11/52/807441152.db2.gz XVPKJJAFMSBTMZ-UHFFFAOYSA-N 1 2 264.292 2.314 20 30 CEEDLO C#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001089296255 807547223 /nfs/dbraw/zinc/54/72/23/807547223.db2.gz APVGALXPRZUANT-STQMWFEESA-N 1 2 288.395 2.284 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnoc2-c2ccccc2)C1 ZINC001031187175 807737468 /nfs/dbraw/zinc/73/74/68/807737468.db2.gz SUFJYSVNZCLBOW-UHFFFAOYSA-N 1 2 297.358 2.332 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2coc3ccc(F)cc23)C1 ZINC001031319994 807908895 /nfs/dbraw/zinc/90/88/95/807908895.db2.gz QIMCYPOAEZMRDW-UHFFFAOYSA-N 1 2 286.306 2.009 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001031322763 807909292 /nfs/dbraw/zinc/90/92/92/807909292.db2.gz LIIDKIDKFCJGFD-UHFFFAOYSA-N 1 2 270.279 2.207 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2coc3cc(C)ccc23)C1 ZINC001031359090 807930169 /nfs/dbraw/zinc/93/01/69/807930169.db2.gz YCMMUMMDMJIYEI-UHFFFAOYSA-N 1 2 296.370 2.107 20 30 CEEDLO C=CC[N@H+](Cc1nnnn1-c1ccccc1)C(C)C ZINC000917070836 807931469 /nfs/dbraw/zinc/93/14/69/807931469.db2.gz HFWIFQRNNOJRBE-UHFFFAOYSA-N 1 2 257.341 2.059 20 30 CEEDLO C=CC[N@@H+](Cc1nnnn1-c1ccccc1)C(C)C ZINC000917070836 807931475 /nfs/dbraw/zinc/93/14/75/807931475.db2.gz HFWIFQRNNOJRBE-UHFFFAOYSA-N 1 2 257.341 2.059 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001031372834 807937933 /nfs/dbraw/zinc/93/79/33/807937933.db2.gz UCMFHHQOVCQINE-UHFFFAOYSA-N 1 2 298.430 2.484 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001031458684 807964700 /nfs/dbraw/zinc/96/47/00/807964700.db2.gz KMRQYHNCVVRTJC-CQSZACIVSA-N 1 2 262.397 2.027 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(F)cc2)C1 ZINC001031516345 807985572 /nfs/dbraw/zinc/98/55/72/807985572.db2.gz QIOHSLFQDFRDPA-UHFFFAOYSA-N 1 2 282.746 2.240 20 30 CEEDLO C#CCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000179788347 808095139 /nfs/dbraw/zinc/09/51/39/808095139.db2.gz FETHSSHEIRWVAD-UHFFFAOYSA-N 1 2 257.341 2.407 20 30 CEEDLO C=C(Br)C[NH2+]Cc1ccc(OCCOC)o1 ZINC001119943195 815174207 /nfs/dbraw/zinc/17/42/07/815174207.db2.gz LSFONTRZQDLCNT-UHFFFAOYSA-N 1 2 290.157 2.303 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC001032022184 808250574 /nfs/dbraw/zinc/25/05/74/808250574.db2.gz CBTGZZXDPMQFDY-ZWNOBZJWSA-N 1 2 270.804 2.223 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(OC)cc2)C1 ZINC001032147141 808307706 /nfs/dbraw/zinc/30/77/06/808307706.db2.gz UQCLJXSZPYVLND-UHFFFAOYSA-N 1 2 294.782 2.109 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032310270 808423340 /nfs/dbraw/zinc/42/33/40/808423340.db2.gz FLXIVLDVDFJZDI-HOTGVXAUSA-N 1 2 274.408 2.265 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032310270 808423342 /nfs/dbraw/zinc/42/33/42/808423342.db2.gz FLXIVLDVDFJZDI-HOTGVXAUSA-N 1 2 274.408 2.265 20 30 CEEDLO C=CCCCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107477844 808448235 /nfs/dbraw/zinc/44/82/35/808448235.db2.gz VZBCYJVLKXYBLD-VOTSOKGWSA-N 1 2 274.368 2.226 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(CC)c1C ZINC001032504482 808662324 /nfs/dbraw/zinc/66/23/24/808662324.db2.gz ACEFHIIQAQFOIC-HOTGVXAUSA-N 1 2 299.418 2.047 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(CC)c1C ZINC001032504482 808662331 /nfs/dbraw/zinc/66/23/31/808662331.db2.gz ACEFHIIQAQFOIC-HOTGVXAUSA-N 1 2 299.418 2.047 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]2C(F)F)C1 ZINC001042915318 808674243 /nfs/dbraw/zinc/67/42/43/808674243.db2.gz MKSPSTGKWJXPCY-STQMWFEESA-N 1 2 286.366 2.387 20 30 CEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032563115 808703127 /nfs/dbraw/zinc/70/31/27/808703127.db2.gz OBIFHZZKMBWSSZ-YGABWQLJSA-N 1 2 268.788 2.236 20 30 CEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl 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VFHACTCHIKOBSY-HOTGVXAUSA-N 1 2 298.386 2.007 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OCC)c1 ZINC001032649893 808773528 /nfs/dbraw/zinc/77/35/28/808773528.db2.gz VFHACTCHIKOBSY-HOTGVXAUSA-N 1 2 298.386 2.007 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001032678022 808784272 /nfs/dbraw/zinc/78/42/72/808784272.db2.gz MUFPVTVBCGQDKC-UOVPBQLFSA-N 1 2 294.398 2.017 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001032678022 808784278 /nfs/dbraw/zinc/78/42/78/808784278.db2.gz MUFPVTVBCGQDKC-UOVPBQLFSA-N 1 2 294.398 2.017 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C1CCC1 ZINC001032757707 808835677 /nfs/dbraw/zinc/83/56/77/808835677.db2.gz MFNQSKDQOPXJBR-HOTGVXAUSA-N 1 2 294.398 2.486 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C1CCC1 ZINC001032757707 808835679 /nfs/dbraw/zinc/83/56/79/808835679.db2.gz MFNQSKDQOPXJBR-HOTGVXAUSA-N 1 2 294.398 2.486 20 30 CEEDLO CCOC(=O)C1(C)CCC([NH2+]C(C)(C)C#N)CC1 ZINC001171935526 815255705 /nfs/dbraw/zinc/25/57/05/815255705.db2.gz AHQYWRUYIIEPRG-UHFFFAOYSA-N 1 2 252.358 2.390 20 30 CEEDLO N#Cc1cc(C(=O)NCCCCn2cc[nH+]c2)cs1 ZINC001117743430 809235556 /nfs/dbraw/zinc/23/55/56/809235556.db2.gz QXTIOOHNCWFARX-UHFFFAOYSA-N 1 2 274.349 2.026 20 30 CEEDLO C=CCCCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001108099438 809254705 /nfs/dbraw/zinc/25/47/05/809254705.db2.gz JIDDVAVJUBPNNJ-LLVKDONJSA-N 1 2 262.357 2.058 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2C)C1 ZINC001033394885 809288254 /nfs/dbraw/zinc/28/82/54/809288254.db2.gz ALHGLIRTWHYYAV-CYBMUJFWSA-N 1 2 295.814 2.232 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2C)C1 ZINC001033394885 809288261 /nfs/dbraw/zinc/28/82/61/809288261.db2.gz ALHGLIRTWHYYAV-CYBMUJFWSA-N 1 2 295.814 2.232 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc[nH]c2)C1 ZINC001033841380 809431404 /nfs/dbraw/zinc/43/14/04/809431404.db2.gz WLTSWGRSBCDPJJ-CYBMUJFWSA-N 1 2 281.787 2.304 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc[nH]c2)C1 ZINC001033841380 809431406 /nfs/dbraw/zinc/43/14/06/809431406.db2.gz WLTSWGRSBCDPJJ-CYBMUJFWSA-N 1 2 281.787 2.304 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001034260723 809564758 /nfs/dbraw/zinc/56/47/58/809564758.db2.gz MUWYQECEEAOSNT-LLVKDONJSA-N 1 2 299.827 2.480 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001034260723 809564761 /nfs/dbraw/zinc/56/47/61/809564761.db2.gz MUWYQECEEAOSNT-LLVKDONJSA-N 1 2 299.827 2.480 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nocc2C)C1 ZINC001034476947 809614340 /nfs/dbraw/zinc/61/43/40/809614340.db2.gz LIZFRLBUBDTDBR-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nocc2C)C1 ZINC001034476947 809614342 /nfs/dbraw/zinc/61/43/42/809614342.db2.gz LIZFRLBUBDTDBR-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001034552576 809631150 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C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001080589767 810296873 /nfs/dbraw/zinc/29/68/73/810296873.db2.gz KMVOPXPUEPEAIF-GJQVQUKXSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001080589767 810296876 /nfs/dbraw/zinc/29/68/76/810296876.db2.gz KMVOPXPUEPEAIF-GJQVQUKXSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001080663010 810299231 /nfs/dbraw/zinc/29/92/31/810299231.db2.gz KPDUZSYJKYYFIO-PRHODGIISA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001080663010 810299236 /nfs/dbraw/zinc/29/92/36/810299236.db2.gz KPDUZSYJKYYFIO-PRHODGIISA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001015543018 810304944 /nfs/dbraw/zinc/30/49/44/810304944.db2.gz WGBWORDHJURUPX-NEPJUHHUSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001015543018 810304953 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C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001084197371 810446390 /nfs/dbraw/zinc/44/63/90/810446390.db2.gz SFMKYPHABHAYHD-RAIGVLPGSA-N 1 2 270.804 2.318 20 30 CEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001017387556 810517345 /nfs/dbraw/zinc/51/73/45/810517345.db2.gz RLMRHVWWJGIJTL-TXEJJXNPSA-N 1 2 277.393 2.008 20 30 CEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001017387556 810517351 /nfs/dbraw/zinc/51/73/51/810517351.db2.gz RLMRHVWWJGIJTL-TXEJJXNPSA-N 1 2 277.393 2.008 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001017845016 810557778 /nfs/dbraw/zinc/55/77/78/810557778.db2.gz VFOZKMOHYDGZAX-BETUJISGSA-N 1 2 296.361 2.120 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001017845016 810557786 /nfs/dbraw/zinc/55/77/86/810557786.db2.gz VFOZKMOHYDGZAX-BETUJISGSA-N 1 2 296.361 2.120 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)ccc1C ZINC001017879977 810564097 /nfs/dbraw/zinc/56/40/97/810564097.db2.gz IRJIIEDZGRVRTO-HDICACEKSA-N 1 2 296.414 2.154 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)ccc1C ZINC001017879977 810564103 /nfs/dbraw/zinc/56/41/03/810564103.db2.gz IRJIIEDZGRVRTO-HDICACEKSA-N 1 2 296.414 2.154 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1CC ZINC001018254969 810599359 /nfs/dbraw/zinc/59/93/59/810599359.db2.gz BREBZVCQADAHNF-BETUJISGSA-N 1 2 289.379 2.020 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1CC ZINC001018254969 810599364 /nfs/dbraw/zinc/59/93/64/810599364.db2.gz BREBZVCQADAHNF-BETUJISGSA-N 1 2 289.379 2.020 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)ccc1F ZINC001038251857 810811949 /nfs/dbraw/zinc/81/19/49/810811949.db2.gz IUDWXIZQHZQHBW-NSHDSACASA-N 1 2 296.292 2.201 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)ccc1F ZINC001038251857 810811956 /nfs/dbraw/zinc/81/19/56/810811956.db2.gz IUDWXIZQHZQHBW-NSHDSACASA-N 1 2 296.292 2.201 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038282776 810816422 /nfs/dbraw/zinc/81/64/22/810816422.db2.gz ALNSHHAZXARPNA-INIZCTEOSA-N 1 2 296.414 2.393 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038282776 810816430 /nfs/dbraw/zinc/81/64/30/810816430.db2.gz ALNSHHAZXARPNA-INIZCTEOSA-N 1 2 296.414 2.393 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001038278878 810816537 /nfs/dbraw/zinc/81/65/37/810816537.db2.gz ZDUTWOFDWCHTKG-HNNXBMFYSA-N 1 2 282.343 2.260 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001038278878 810816545 /nfs/dbraw/zinc/81/65/45/810816545.db2.gz ZDUTWOFDWCHTKG-HNNXBMFYSA-N 1 2 282.343 2.260 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cscc1C(F)F ZINC001085600132 810847143 /nfs/dbraw/zinc/84/71/43/810847143.db2.gz LLDAKJLFRCGFIT-JTQLQIEISA-N 1 2 298.358 2.465 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscc1C(F)F ZINC001085600132 810847152 /nfs/dbraw/zinc/84/71/52/810847152.db2.gz LLDAKJLFRCGFIT-JTQLQIEISA-N 1 2 298.358 2.465 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nsc2ccccc21 ZINC001085614622 810853713 /nfs/dbraw/zinc/85/37/13/810853713.db2.gz RUTCNAIRHPJBBK-GFCCVEGCSA-N 1 2 299.399 2.076 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nsc2ccccc21 ZINC001085614622 810853721 /nfs/dbraw/zinc/85/37/21/810853721.db2.gz RUTCNAIRHPJBBK-GFCCVEGCSA-N 1 2 299.399 2.076 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001085725235 810891364 /nfs/dbraw/zinc/89/13/64/810891364.db2.gz QPQIFLICEZUASC-HNNXBMFYSA-N 1 2 290.794 2.428 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001085725235 810891374 /nfs/dbraw/zinc/89/13/74/810891374.db2.gz QPQIFLICEZUASC-HNNXBMFYSA-N 1 2 290.794 2.428 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085756046 810902220 /nfs/dbraw/zinc/90/22/20/810902220.db2.gz YHAGQTYPIUUGES-CYBMUJFWSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085756046 810902223 /nfs/dbraw/zinc/90/22/23/810902223.db2.gz YHAGQTYPIUUGES-CYBMUJFWSA-N 1 2 298.390 2.285 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785221 810914530 /nfs/dbraw/zinc/91/45/30/810914530.db2.gz LVLCHKDVGZZAQB-CQSZACIVSA-N 1 2 286.375 2.327 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785221 810914535 /nfs/dbraw/zinc/91/45/35/810914535.db2.gz LVLCHKDVGZZAQB-CQSZACIVSA-N 1 2 286.375 2.327 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC001038787597 810915285 /nfs/dbraw/zinc/91/52/85/810915285.db2.gz DGIQPQXNBVSLHJ-CYBMUJFWSA-N 1 2 291.395 2.172 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(CC(C)C)nc1C ZINC001038787597 810915289 /nfs/dbraw/zinc/91/52/89/810915289.db2.gz DGIQPQXNBVSLHJ-CYBMUJFWSA-N 1 2 291.395 2.172 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1F ZINC001085795109 810918105 /nfs/dbraw/zinc/91/81/05/810918105.db2.gz MLYCUCAWAWNPME-NSHDSACASA-N 1 2 294.757 2.259 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1F ZINC001085795109 810918108 /nfs/dbraw/zinc/91/81/08/810918108.db2.gz MLYCUCAWAWNPME-NSHDSACASA-N 1 2 294.757 2.259 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1occc1Br ZINC001038814640 810922182 /nfs/dbraw/zinc/92/21/82/810922182.db2.gz KHFHMDDARTUVCI-VIFPVBQESA-N 1 2 299.168 2.032 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1Br ZINC001038814640 810922187 /nfs/dbraw/zinc/92/21/87/810922187.db2.gz KHFHMDDARTUVCI-VIFPVBQESA-N 1 2 299.168 2.032 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)nc1C ZINC001085824822 810932712 /nfs/dbraw/zinc/93/27/12/810932712.db2.gz TVVRIKJIPMQLFC-HNNXBMFYSA-N 1 2 297.402 2.047 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)nc1C ZINC001085824822 810932715 /nfs/dbraw/zinc/93/27/15/810932715.db2.gz TVVRIKJIPMQLFC-HNNXBMFYSA-N 1 2 297.402 2.047 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038914351 810945715 /nfs/dbraw/zinc/94/57/15/810945715.db2.gz PIPMUKABGARGAX-KRWDZBQOSA-N 1 2 282.387 2.391 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038914351 810945711 /nfs/dbraw/zinc/94/57/11/810945711.db2.gz PIPMUKABGARGAX-KRWDZBQOSA-N 1 2 282.387 2.391 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001038967986 810960158 /nfs/dbraw/zinc/96/01/58/810960158.db2.gz IUHFNRHNZIRTNH-SNVBAGLBSA-N 1 2 282.290 2.045 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001038967986 810960163 /nfs/dbraw/zinc/96/01/63/810960163.db2.gz IUHFNRHNZIRTNH-SNVBAGLBSA-N 1 2 282.290 2.045 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sccc1CC ZINC001039046114 810975653 /nfs/dbraw/zinc/97/56/53/810975653.db2.gz IMTDYEUHDNGIQG-LBPRGKRZSA-N 1 2 264.394 2.301 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1CC ZINC001039046114 810975656 /nfs/dbraw/zinc/97/56/56/810975656.db2.gz IMTDYEUHDNGIQG-LBPRGKRZSA-N 1 2 264.394 2.301 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)c(C)s1 ZINC001085961805 810985463 /nfs/dbraw/zinc/98/54/63/810985463.db2.gz PDXUMKOPBUUVJR-CQSZACIVSA-N 1 2 290.432 2.398 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)c(C)s1 ZINC001085961805 810985469 /nfs/dbraw/zinc/98/54/69/810985469.db2.gz PDXUMKOPBUUVJR-CQSZACIVSA-N 1 2 290.432 2.398 20 30 CEEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCOC(C)C)C(=O)OCC ZINC001172440147 815437626 /nfs/dbraw/zinc/43/76/26/815437626.db2.gz DKCXMAQEIUHKOF-UMVBOHGHSA-N 1 2 269.385 2.287 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001042821554 811333846 /nfs/dbraw/zinc/33/38/46/811333846.db2.gz XUMHLSZADBXFNK-UHFFFAOYSA-N 1 2 273.336 2.093 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001043419412 811372848 /nfs/dbraw/zinc/37/28/48/811372848.db2.gz INXYHMIBABKTPM-CVEARBPZSA-N 1 2 292.423 2.053 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001043451266 811374635 /nfs/dbraw/zinc/37/46/35/811374635.db2.gz BTAAPSSNMQHHFF-YWVIFJGQSA-N 1 2 262.397 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3ncccc32)C1 ZINC001043498325 811379890 /nfs/dbraw/zinc/37/98/90/811379890.db2.gz VUBLGUYODBHFQG-UHFFFAOYSA-N 1 2 281.359 2.177 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001043612518 811393245 /nfs/dbraw/zinc/39/32/45/811393245.db2.gz FRDGVPLENHCZQE-UHFFFAOYSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001043705160 811398238 /nfs/dbraw/zinc/39/82/38/811398238.db2.gz VJLOGEMBYUCXTH-UHFFFAOYSA-N 1 2 297.402 2.049 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001043733039 811401029 /nfs/dbraw/zinc/40/10/29/811401029.db2.gz ZNGHMGSLGAEIKT-UHFFFAOYSA-N 1 2 272.392 2.175 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001044139663 811444125 /nfs/dbraw/zinc/44/41/25/811444125.db2.gz IICIIKULXXCHBL-CQSZACIVSA-N 1 2 262.397 2.285 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3cnccc3c2)C1 ZINC001044147461 811445344 /nfs/dbraw/zinc/44/53/44/811445344.db2.gz YFHAUNSMWIRRHU-UHFFFAOYSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccoc2CCC)C1 ZINC001044185384 811452290 /nfs/dbraw/zinc/45/22/90/811452290.db2.gz NRONXQCPGIJUGK-UHFFFAOYSA-N 1 2 274.364 2.012 20 30 CEEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001044253104 811460876 /nfs/dbraw/zinc/46/08/76/811460876.db2.gz UULSDGFIHLDXNJ-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001044252179 811461458 /nfs/dbraw/zinc/46/14/58/811461458.db2.gz DYLSXZQQNVDDII-UHFFFAOYSA-N 1 2 270.376 2.083 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001044315481 811468568 /nfs/dbraw/zinc/46/85/68/811468568.db2.gz NVNXLLCGCNSVNP-NSHDSACASA-N 1 2 294.345 2.397 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc3ccccc32)C1 ZINC001044333654 811470372 /nfs/dbraw/zinc/47/03/72/811470372.db2.gz VXQBMSIQDMVTDL-UHFFFAOYSA-N 1 2 293.370 2.014 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001044335906 811472300 /nfs/dbraw/zinc/47/23/00/811472300.db2.gz QRQKIMZKOXVLGH-HNNXBMFYSA-N 1 2 289.423 2.385 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001044356239 811473564 /nfs/dbraw/zinc/47/35/64/811473564.db2.gz PXXPWYCRNNPHRP-UHFFFAOYSA-N 1 2 264.413 2.387 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001044382270 811478653 /nfs/dbraw/zinc/47/86/53/811478653.db2.gz QKZAMZZICMYGJJ-UHFFFAOYSA-N 1 2 290.411 2.105 20 30 CEEDLO C#C[C@](C)(CC)Nc1nc2[nH]c(C(=O)OCC)cc2c[nH+]1 ZINC001169691952 811623574 /nfs/dbraw/zinc/62/35/74/811623574.db2.gz IRNQRKWWJGBDOO-OAHLLOKOSA-N 1 2 286.335 2.300 20 30 CEEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172562940 815462056 /nfs/dbraw/zinc/46/20/56/815462056.db2.gz JODCPAAJNQHVQU-OWCLPIDISA-N 1 2 255.365 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cscn2)C1 ZINC001046176957 811701423 /nfs/dbraw/zinc/70/14/23/811701423.db2.gz FBCPGWFLYYLUHX-LBPRGKRZSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cscn2)C1 ZINC001046176957 811701428 /nfs/dbraw/zinc/70/14/28/811701428.db2.gz FBCPGWFLYYLUHX-LBPRGKRZSA-N 1 2 285.800 2.090 20 30 CEEDLO N#CC1([NH2+][C@H]2CCCC3(C2)OCCO3)CCCCC1 ZINC001169910861 811709878 /nfs/dbraw/zinc/70/98/78/811709878.db2.gz XHIBLWPZQHXDGF-ZDUSSCGKSA-N 1 2 264.369 2.488 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CC=CC2)C1 ZINC001046210312 811709951 /nfs/dbraw/zinc/70/99/51/811709951.db2.gz NVSGHYSWSCDKQC-AWEZNQCLSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CC=CC2)C1 ZINC001046210312 811709954 /nfs/dbraw/zinc/70/99/54/811709954.db2.gz NVSGHYSWSCDKQC-AWEZNQCLSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CC(C)C2)C1 ZINC001046226234 811714115 /nfs/dbraw/zinc/71/41/15/811714115.db2.gz FGARUEFZOLDTQG-OVGLSYRBSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CC(C)C2)C1 ZINC001046226234 811714121 /nfs/dbraw/zinc/71/41/21/811714121.db2.gz FGARUEFZOLDTQG-OVGLSYRBSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccsn2)C1 ZINC001046408948 811750952 /nfs/dbraw/zinc/75/09/52/811750952.db2.gz OFDUESRLDVLLQG-GFCCVEGCSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccsn2)C1 ZINC001046408948 811750957 /nfs/dbraw/zinc/75/09/57/811750957.db2.gz OFDUESRLDVLLQG-GFCCVEGCSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108897744 811786567 /nfs/dbraw/zinc/78/65/67/811786567.db2.gz WGMXTOXYXLAHKT-AGIUHOORSA-N 1 2 268.788 2.427 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108897744 811786570 /nfs/dbraw/zinc/78/65/70/811786570.db2.gz WGMXTOXYXLAHKT-AGIUHOORSA-N 1 2 268.788 2.427 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001046633914 811788505 /nfs/dbraw/zinc/78/85/05/811788505.db2.gz CNKBBFBOJMIKSO-BZPMIXESSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001046633914 811788511 /nfs/dbraw/zinc/78/85/11/811788511.db2.gz CNKBBFBOJMIKSO-BZPMIXESSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC23CC3)C1 ZINC001046651903 811792352 /nfs/dbraw/zinc/79/23/52/811792352.db2.gz DHLQOUXDWRTSHL-WCQYABFASA-N 1 2 268.788 2.120 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC23CC3)C1 ZINC001046651903 811792356 /nfs/dbraw/zinc/79/23/56/811792356.db2.gz DHLQOUXDWRTSHL-WCQYABFASA-N 1 2 268.788 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(OC)o2)C1 ZINC001046725674 811806330 /nfs/dbraw/zinc/80/63/30/811806330.db2.gz CPGVWZVILISLBM-AWEZNQCLSA-N 1 2 298.770 2.235 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(OC)o2)C1 ZINC001046725674 811806335 /nfs/dbraw/zinc/80/63/35/811806335.db2.gz CPGVWZVILISLBM-AWEZNQCLSA-N 1 2 298.770 2.235 20 30 CEEDLO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313991 811860582 /nfs/dbraw/zinc/86/05/82/811860582.db2.gz ZWBOXNDPLZBIKI-VPOLOUISSA-N 1 2 294.292 2.184 20 30 CEEDLO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313991 811860596 /nfs/dbraw/zinc/86/05/96/811860596.db2.gz ZWBOXNDPLZBIKI-VPOLOUISSA-N 1 2 294.292 2.184 20 30 CEEDLO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001109313991 811860603 /nfs/dbraw/zinc/86/06/03/811860603.db2.gz ZWBOXNDPLZBIKI-VPOLOUISSA-N 1 2 294.292 2.184 20 30 CEEDLO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001109313991 811860608 /nfs/dbraw/zinc/86/06/08/811860608.db2.gz ZWBOXNDPLZBIKI-VPOLOUISSA-N 1 2 294.292 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109614585 811914235 /nfs/dbraw/zinc/91/42/35/811914235.db2.gz IYBNDFPLLBDVAN-WOPDTQHZSA-N 1 2 274.767 2.210 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109614585 811914239 /nfs/dbraw/zinc/91/42/39/811914239.db2.gz IYBNDFPLLBDVAN-WOPDTQHZSA-N 1 2 274.767 2.210 20 30 CEEDLO C#C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)[C@@H]1CCCO1 ZINC000772258046 811985794 /nfs/dbraw/zinc/98/57/94/811985794.db2.gz RYCQUEAPMJMJOR-OLZOCXBDSA-N 1 2 299.378 2.174 20 30 CEEDLO CCN(CC)c1ncc(C=[NH+]OC[C@@H]2CCOC2)s1 ZINC000788030033 812076032 /nfs/dbraw/zinc/07/60/32/812076032.db2.gz JBUTVWCOHVKXFP-LLVKDONJSA-N 1 2 283.397 2.376 20 30 CEEDLO C=CCC(C)(C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113895718 812424579 /nfs/dbraw/zinc/42/45/79/812424579.db2.gz JUVWMWGCNBKXMQ-LBPRGKRZSA-N 1 2 290.411 2.328 20 30 CEEDLO COC(=O)C1([NH2+][C@@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC001254637145 812502356 /nfs/dbraw/zinc/50/23/56/812502356.db2.gz PCYAAJCSPQWNFN-VXGBXAGGSA-N 1 2 250.342 2.144 20 30 CEEDLO N#C[C@@H](Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(N)=O ZINC001170538070 812637999 /nfs/dbraw/zinc/63/79/99/812637999.db2.gz XODCCZJYIGCDPW-CQSZACIVSA-N 1 2 291.314 2.019 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001255166645 812728547 /nfs/dbraw/zinc/72/85/47/812728547.db2.gz NTACFQOVTQBIHS-HBNTYKKESA-N 1 2 264.291 2.314 20 30 CEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001255166645 812728549 /nfs/dbraw/zinc/72/85/49/812728549.db2.gz NTACFQOVTQBIHS-HBNTYKKESA-N 1 2 264.291 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCCC)CC[C@H]1C ZINC001131882212 812749550 /nfs/dbraw/zinc/74/95/50/812749550.db2.gz VDBXPRGDNSQMBT-CHWSQXEVSA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCCC)CC[C@H]1C ZINC001131882212 812749553 /nfs/dbraw/zinc/74/95/53/812749553.db2.gz VDBXPRGDNSQMBT-CHWSQXEVSA-N 1 2 288.819 2.135 20 30 CEEDLO C#CCCCCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001132401856 812840436 /nfs/dbraw/zinc/84/04/36/812840436.db2.gz HIWPNXUSBXDMBA-CQSZACIVSA-N 1 2 291.395 2.334 20 30 CEEDLO N#Cc1ccn(-c2ccc(Cn3cc[nH+]c3)cc2)c1N ZINC001212694014 815559827 /nfs/dbraw/zinc/55/98/27/815559827.db2.gz FGMNILKPGBOECC-UHFFFAOYSA-N 1 2 263.304 2.176 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001051024003 812878868 /nfs/dbraw/zinc/87/88/68/812878868.db2.gz ZBPPWWBXQFQUDQ-RBSFLKMASA-N 1 2 294.439 2.062 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001051024003 812878876 /nfs/dbraw/zinc/87/88/76/812878876.db2.gz ZBPPWWBXQFQUDQ-RBSFLKMASA-N 1 2 294.439 2.062 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132650038 812919253 /nfs/dbraw/zinc/91/92/53/812919253.db2.gz GQBLYCRSLFPKSY-GFCCVEGCSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001132662913 812921356 /nfs/dbraw/zinc/92/13/56/812921356.db2.gz MBVVKCLDLBDOFP-NWDGAFQWSA-N 1 2 294.399 2.001 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)Nc3cccc(CC#N)n3)ccn12 ZINC001133014962 812969451 /nfs/dbraw/zinc/96/94/51/812969451.db2.gz QYIGPCJZMCNORC-UHFFFAOYSA-N 1 2 291.314 2.356 20 30 CEEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001134428213 813265912 /nfs/dbraw/zinc/26/59/12/813265912.db2.gz CYBMPMTUPOJZCL-NSHDSACASA-N 1 2 294.399 2.001 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001071310613 813360604 /nfs/dbraw/zinc/36/06/04/813360604.db2.gz RCCQIWKOOZUVGV-GHMZBOCLSA-N 1 2 276.783 2.456 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001071310613 813360610 /nfs/dbraw/zinc/36/06/10/813360610.db2.gz RCCQIWKOOZUVGV-GHMZBOCLSA-N 1 2 276.783 2.456 20 30 CEEDLO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170908642 813633811 /nfs/dbraw/zinc/63/38/11/813633811.db2.gz MPSSMINKBOVBTI-GHMZBOCLSA-N 1 2 296.308 2.175 20 30 CEEDLO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170908642 813633816 /nfs/dbraw/zinc/63/38/16/813633816.db2.gz MPSSMINKBOVBTI-GHMZBOCLSA-N 1 2 296.308 2.175 20 30 CEEDLO Cn1cc(NC(=[NH2+])c2ccc3ccccc3n2)cc(F)c1=O ZINC001171048483 813768876 /nfs/dbraw/zinc/76/88/76/813768876.db2.gz PIIAKTIECFRKGY-UHFFFAOYSA-N 1 2 296.305 2.110 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001074166447 813811570 /nfs/dbraw/zinc/81/15/70/813811570.db2.gz HOFJRDGILWXVKZ-HUUCEWRRSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001074166447 813811581 /nfs/dbraw/zinc/81/15/81/813811581.db2.gz HOFJRDGILWXVKZ-HUUCEWRRSA-N 1 2 294.439 2.300 20 30 CEEDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1O ZINC001143717821 813865096 /nfs/dbraw/zinc/86/50/96/813865096.db2.gz HSCNSDOLIIOFJS-ZANVPECISA-N 1 2 250.729 2.024 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1O ZINC001143717821 813865100 /nfs/dbraw/zinc/86/51/00/813865100.db2.gz HSCNSDOLIIOFJS-ZANVPECISA-N 1 2 250.729 2.024 20 30 CEEDLO C=CC[C@@H](C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001144027234 813934229 /nfs/dbraw/zinc/93/42/29/813934229.db2.gz PDJLGPKOWWSJHX-SNVBAGLBSA-N 1 2 267.398 2.280 20 30 CEEDLO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC001144159086 813970398 /nfs/dbraw/zinc/97/03/98/813970398.db2.gz XYDFWFOJVKDZJX-UHFFFAOYSA-N 1 2 293.374 2.109 20 30 CEEDLO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC001144159086 813970400 /nfs/dbraw/zinc/97/04/00/813970400.db2.gz XYDFWFOJVKDZJX-UHFFFAOYSA-N 1 2 293.374 2.109 20 30 CEEDLO C=C(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(F)(F)F ZINC001144209415 813990952 /nfs/dbraw/zinc/99/09/52/813990952.db2.gz HCLPCBRDTWHEKH-UHFFFAOYSA-N 1 2 273.258 2.234 20 30 CEEDLO C=C(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(F)(F)F ZINC001144209415 813990958 /nfs/dbraw/zinc/99/09/58/813990958.db2.gz HCLPCBRDTWHEKH-UHFFFAOYSA-N 1 2 273.258 2.234 20 30 CEEDLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171180954 814068417 /nfs/dbraw/zinc/06/84/17/814068417.db2.gz FENIAMGWKCRHJR-RYUDHWBXSA-N 1 2 260.337 2.030 20 30 CEEDLO Cc1cccc(C[N@H+](C)Cc2cc(C#N)ccn2)n1 ZINC001171191128 814082619 /nfs/dbraw/zinc/08/26/19/814082619.db2.gz WVQLHVXDJDUEHO-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO Cc1cccc(C[N@@H+](C)Cc2cc(C#N)ccn2)n1 ZINC001171191128 814082625 /nfs/dbraw/zinc/08/26/25/814082625.db2.gz WVQLHVXDJDUEHO-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO C#Cc1ccc(C[NH+]2CC(Oc3cccnc3)C2)cc1 ZINC001144573961 814120236 /nfs/dbraw/zinc/12/02/36/814120236.db2.gz WDYKXXLBMPSMLJ-UHFFFAOYSA-N 1 2 264.328 2.326 20 30 CEEDLO C=CCCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091316619 814209101 /nfs/dbraw/zinc/20/91/01/814209101.db2.gz SOWZZZDLJRNBGY-BETUJISGSA-N 1 2 274.368 2.058 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101916200 814337598 /nfs/dbraw/zinc/33/75/98/814337598.db2.gz QQRFTDPBFREFGP-GFCCVEGCSA-N 1 2 276.384 2.258 20 30 CEEDLO CCCCCCCCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001148820537 814618122 /nfs/dbraw/zinc/61/81/22/814618122.db2.gz HUNGPDZNAOGSBI-UHFFFAOYSA-N 1 2 296.415 2.416 20 30 CEEDLO C=CC[C@@H](C(=O)NCCc1[nH+]ccn1C)c1ccccc1 ZINC001124012016 815587153 /nfs/dbraw/zinc/58/71/53/815587153.db2.gz XJAXJISBANRDCZ-OAHLLOKOSA-N 1 2 283.375 2.439 20 30 CEEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC001116396704 814851063 /nfs/dbraw/zinc/85/10/63/814851063.db2.gz MSVBHQCJKOSMMU-LBPRGKRZSA-N 1 2 265.357 2.055 20 30 CEEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC001116396704 814851066 /nfs/dbraw/zinc/85/10/66/814851066.db2.gz MSVBHQCJKOSMMU-LBPRGKRZSA-N 1 2 265.357 2.055 20 30 CEEDLO C=CCOC1CCC([NH2+]C2(C(=O)OCC)CC2)CC1 ZINC001173312431 815665431 /nfs/dbraw/zinc/66/54/31/815665431.db2.gz GCSORDYBPBPLKY-UHFFFAOYSA-N 1 2 267.369 2.186 20 30 CEEDLO C=CCCCC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095152106 815715987 /nfs/dbraw/zinc/71/59/87/815715987.db2.gz RUICYIPCTOCLDZ-CQSZACIVSA-N 1 2 288.395 2.178 20 30 CEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCCCC(=O)OC)C(=O)OCC ZINC001173441567 815718822 /nfs/dbraw/zinc/71/88/22/815718822.db2.gz RXZLKAWBNAEXFJ-ZENOOKHLSA-N 1 2 297.395 2.206 20 30 CEEDLO C#CCN1CC[NH+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138177516 815746170 /nfs/dbraw/zinc/74/61/70/815746170.db2.gz YURTVLYVROJYOR-UHFFFAOYSA-N 1 2 287.407 2.021 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@H]2CC)cc1OC ZINC001138349165 815773793 /nfs/dbraw/zinc/77/37/93/815773793.db2.gz TUPWVYRETRRLKA-OAHLLOKOSA-N 1 2 289.375 2.318 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC)cc1OC ZINC001138349165 815773796 /nfs/dbraw/zinc/77/37/96/815773796.db2.gz TUPWVYRETRRLKA-OAHLLOKOSA-N 1 2 289.375 2.318 20 30 CEEDLO C#CCOc1ccc(C[NH+]2CC(OC(C)C)C2)cc1 ZINC001138560129 815830444 /nfs/dbraw/zinc/83/04/44/815830444.db2.gz HZEWTKLXPNKUNP-UHFFFAOYSA-N 1 2 259.349 2.308 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCCC1=O ZINC001139526154 816038668 /nfs/dbraw/zinc/03/86/68/816038668.db2.gz WDJBYECIVOSGRS-LLVKDONJSA-N 1 2 260.312 2.498 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCCC1=O ZINC001139526154 816038673 /nfs/dbraw/zinc/03/86/73/816038673.db2.gz WDJBYECIVOSGRS-LLVKDONJSA-N 1 2 260.312 2.498 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCCC1=O ZINC001139526156 816038733 /nfs/dbraw/zinc/03/87/33/816038733.db2.gz WDJBYECIVOSGRS-NSHDSACASA-N 1 2 260.312 2.498 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCCC1=O ZINC001139526156 816038741 /nfs/dbraw/zinc/03/87/41/816038741.db2.gz WDJBYECIVOSGRS-NSHDSACASA-N 1 2 260.312 2.498 20 30 CEEDLO C[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139687765 816083075 /nfs/dbraw/zinc/08/30/75/816083075.db2.gz YTKDTPXQCLBMFV-AWEZNQCLSA-N 1 2 264.756 2.416 20 30 CEEDLO C[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139687765 816083080 /nfs/dbraw/zinc/08/30/80/816083080.db2.gz YTKDTPXQCLBMFV-AWEZNQCLSA-N 1 2 264.756 2.416 20 30 CEEDLO C=CC[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140466483 816263001 /nfs/dbraw/zinc/26/30/01/816263001.db2.gz HFDSOCPBRMARHD-UHFFFAOYSA-N 1 2 266.772 2.349 20 30 CEEDLO C=CCN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466483 816263006 /nfs/dbraw/zinc/26/30/06/816263006.db2.gz HFDSOCPBRMARHD-UHFFFAOYSA-N 1 2 266.772 2.349 20 30 CEEDLO COC(=O)c1ccc(Nc2c[nH+]ccc2OC)c(C#N)c1 ZINC001176124532 816354777 /nfs/dbraw/zinc/35/47/77/816354777.db2.gz QMJIRQDGYKNPRX-UHFFFAOYSA-N 1 2 283.287 2.492 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001141168375 816495170 /nfs/dbraw/zinc/49/51/70/816495170.db2.gz LXGKDXUEQBLHDI-OAHLLOKOSA-N 1 2 298.321 2.141 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001141168375 816495174 /nfs/dbraw/zinc/49/51/74/816495174.db2.gz LXGKDXUEQBLHDI-OAHLLOKOSA-N 1 2 298.321 2.141 20 30 CEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)CCC1 ZINC001177100223 816521705 /nfs/dbraw/zinc/52/17/05/816521705.db2.gz BALCDOHKMOIIIE-LSDHHAIUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)CCC1 ZINC001177100223 816521707 /nfs/dbraw/zinc/52/17/07/816521707.db2.gz BALCDOHKMOIIIE-LSDHHAIUSA-N 1 2 292.423 2.054 20 30 CEEDLO C#CCN1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC001142178147 816632446 /nfs/dbraw/zinc/63/24/46/816632446.db2.gz FHBIXRMHNQGUTH-UHFFFAOYSA-N 1 2 288.439 2.006 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC001142178147 816632450 /nfs/dbraw/zinc/63/24/50/816632450.db2.gz FHBIXRMHNQGUTH-UHFFFAOYSA-N 1 2 288.439 2.006 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC001178118055 816678637 /nfs/dbraw/zinc/67/86/37/816678637.db2.gz OSHDRRVEWOFDGU-GFCCVEGCSA-N 1 2 283.306 2.205 20 30 CEEDLO 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344933617 /nfs/dbraw/zinc/93/36/17/344933617.db2.gz NPLOWNVIBBBMHY-UHFFFAOYSA-N 1 2 255.325 2.396 20 30 CEEDLO C[C@](C#N)(NC(=O)CCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000584694895 344977011 /nfs/dbraw/zinc/97/70/11/344977011.db2.gz LRMJAPNATHBFNA-OAHLLOKOSA-N 1 2 274.368 2.321 20 30 CEEDLO C[C@](C#N)(NC(=O)CCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000584694895 344977014 /nfs/dbraw/zinc/97/70/14/344977014.db2.gz LRMJAPNATHBFNA-OAHLLOKOSA-N 1 2 274.368 2.321 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000586817925 345026025 /nfs/dbraw/zinc/02/60/25/345026025.db2.gz NDTCXPJVXUMETH-UHFFFAOYSA-N 1 2 283.335 2.215 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC000588724834 345053007 /nfs/dbraw/zinc/05/30/07/345053007.db2.gz HAIFWZIRNUDCTB-CQSZACIVSA-N 1 2 280.331 2.018 20 30 CEEDLO C=CCN(CCC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000590119893 345115192 /nfs/dbraw/zinc/11/51/92/345115192.db2.gz BVAWCSSPTSPEIY-UHFFFAOYSA-N 1 2 269.308 2.268 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)c2[nH+]ccn21 ZINC000590836175 345187778 /nfs/dbraw/zinc/18/77/78/345187778.db2.gz DOUAVXDOXFVEHA-XUJVJEKNSA-N 1 2 287.367 2.224 20 30 CEEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)co1 ZINC000590604640 345151141 /nfs/dbraw/zinc/15/11/41/345151141.db2.gz LTKYCTZJQMUTEQ-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO COc1nccnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000590646886 345155216 /nfs/dbraw/zinc/15/52/16/345155216.db2.gz SXNQOFYJHUGCBG-LLVKDONJSA-N 1 2 268.320 2.208 20 30 CEEDLO N#Cc1ccc2c(c1)CCN2C(=O)CCCn1cc[nH+]c1 ZINC000591312320 345239508 /nfs/dbraw/zinc/23/95/08/345239508.db2.gz DWPUATICKRRJPC-UHFFFAOYSA-N 1 2 280.331 2.124 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971807 345207932 /nfs/dbraw/zinc/20/79/32/345207932.db2.gz NQJAJGLZVDYDOO-DOMZBBRYSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971807 345207935 /nfs/dbraw/zinc/20/79/35/345207935.db2.gz NQJAJGLZVDYDOO-DOMZBBRYSA-N 1 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/nfs/dbraw/zinc/51/64/80/346516480.db2.gz VYJMJOGZLPTEDP-UHFFFAOYSA-N 1 2 272.739 2.493 20 30 CEEDLO COc1cc(C[NH2+]C[C@@H](C)C#N)c(Cl)cc1O ZINC000602608120 347099058 /nfs/dbraw/zinc/09/90/58/347099058.db2.gz OZPFLTUNQWLROR-QMMMGPOBSA-N 1 2 254.717 2.303 20 30 CEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CCC(C)(C)C#N ZINC000599445096 346521224 /nfs/dbraw/zinc/52/12/24/346521224.db2.gz KIKMOPJAEQZBMO-HNNXBMFYSA-N 1 2 298.394 2.031 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602612721 347102441 /nfs/dbraw/zinc/10/24/41/347102441.db2.gz PXKPAMSFHRPLRZ-LLVKDONJSA-N 1 2 292.383 2.157 20 30 CEEDLO COc1nccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677793 346562481 /nfs/dbraw/zinc/56/24/81/346562481.db2.gz LLXNYACCLZVOSW-UHFFFAOYSA-N 1 2 294.358 2.110 20 30 CEEDLO COc1nccc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677793 346562482 /nfs/dbraw/zinc/56/24/82/346562482.db2.gz LLXNYACCLZVOSW-UHFFFAOYSA-N 1 2 294.358 2.110 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000602610669 347101129 /nfs/dbraw/zinc/10/11/29/347101129.db2.gz IIBAEYVBTRRIAJ-JTQLQIEISA-N 1 2 252.339 2.317 20 30 CEEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599619216 346547296 /nfs/dbraw/zinc/54/72/96/346547296.db2.gz UGBJGLUILHTPQZ-MRXNPFEDSA-N 1 2 274.364 2.104 20 30 CEEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599619216 346547300 /nfs/dbraw/zinc/54/73/00/346547300.db2.gz UGBJGLUILHTPQZ-MRXNPFEDSA-N 1 2 274.364 2.104 20 30 CEEDLO C=C[C@H]([NH2+]CC1CCc2ccccc2CC1)C(=O)OC ZINC000600603817 346659945 /nfs/dbraw/zinc/65/99/45/346659945.db2.gz TYBRRPJOOKPMRJ-INIZCTEOSA-N 1 2 273.376 2.499 20 30 CEEDLO COc1cccc(/C=[NH+]/CCCO[C@@H]2CCOC2)c1O ZINC000129351948 365849707 /nfs/dbraw/zinc/84/97/07/365849707.db2.gz PQMYLRWMVQWIOT-BVTUPMQUSA-N 1 2 279.336 2.015 20 30 CEEDLO N#CC1(C[C@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000600743812 346682594 /nfs/dbraw/zinc/68/25/94/346682594.db2.gz WEUBLSHOJWYNCG-HNNXBMFYSA-N 1 2 282.347 2.339 20 30 CEEDLO N#CCc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000601023763 346733427 /nfs/dbraw/zinc/73/34/27/346733427.db2.gz DCWFJYIZBAVZTB-UHFFFAOYSA-N 1 2 294.358 2.426 20 30 CEEDLO N#C[C@@]1(F)CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602628587 347111124 /nfs/dbraw/zinc/11/11/24/347111124.db2.gz HICPGZFNBMIGRB-ZBFHGGJFSA-N 1 2 273.355 2.450 20 30 CEEDLO N#C[C@@]1(F)CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602628587 347111125 /nfs/dbraw/zinc/11/11/25/347111125.db2.gz HICPGZFNBMIGRB-ZBFHGGJFSA-N 1 2 273.355 2.450 20 30 CEEDLO CC1(C)C[NH+](Cc2cccc(C#N)n2)CC(C)(C)O1 ZINC000602628215 347111304 /nfs/dbraw/zinc/11/13/04/347111304.db2.gz VDNHAZCVJBCMDP-UHFFFAOYSA-N 1 2 259.353 2.343 20 30 CEEDLO Cc1nnc(NCC(C)(C)n2cc[nH+]c2)c(C#N)c1C ZINC000601198483 346785264 /nfs/dbraw/zinc/78/52/64/346785264.db2.gz YCBDMNKIYUJHOO-UHFFFAOYSA-N 1 2 270.340 2.009 20 30 CEEDLO COC(=O)[C@H](CC(F)(F)F)[NH2+]C[C@H](C)CCC#N ZINC000602636367 347116263 /nfs/dbraw/zinc/11/62/63/347116263.db2.gz UTDDZPGSCDMJMQ-BDAKNGLRSA-N 1 2 266.263 2.010 20 30 CEEDLO COC(=O)Cc1cccc(NC[C@H](C)CCC#N)[nH+]1 ZINC000602636423 347117381 /nfs/dbraw/zinc/11/73/81/347117381.db2.gz XSMNPVLOJJYQRI-LLVKDONJSA-N 1 2 261.325 2.149 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOCC23CCCCC3)n1 ZINC000602682080 347141593 /nfs/dbraw/zinc/14/15/93/347141593.db2.gz QTVNBJREBKFXQE-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOCC23CCCCC3)n1 ZINC000602682080 347141596 /nfs/dbraw/zinc/14/15/96/347141596.db2.gz QTVNBJREBKFXQE-UHFFFAOYSA-N 1 2 271.364 2.488 20 30 CEEDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602684306 347144491 /nfs/dbraw/zinc/14/44/91/347144491.db2.gz VJXVYMMXHWTFRE-LLVKDONJSA-N 1 2 255.325 2.020 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C2(CCC2)CO1 ZINC000602713576 347165871 /nfs/dbraw/zinc/16/58/71/347165871.db2.gz WARNFKQKMZBVIP-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C2(CCC2)CO1 ZINC000602713576 347165872 /nfs/dbraw/zinc/16/58/72/347165872.db2.gz WARNFKQKMZBVIP-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1CC(CF)(CF)C1)C(=O)OC ZINC000602738315 347179998 /nfs/dbraw/zinc/17/99/98/347179998.db2.gz HMBSAQWRZAMZKR-LLVKDONJSA-N 1 2 261.312 2.172 20 30 CEEDLO C=C(C)C[C@@H](NCc1c[nH+]cn1C(C)C)C(=O)OC ZINC000602739082 347180208 /nfs/dbraw/zinc/18/02/08/347180208.db2.gz QMJMEHGNHZXDCC-CYBMUJFWSA-N 1 2 265.357 2.061 20 30 CEEDLO CC(C)Cc1ncc(C[NH+]2CCN(CCC#N)CC2)s1 ZINC000602747902 347183444 /nfs/dbraw/zinc/18/34/44/347183444.db2.gz IPNJWAKRJBSFDI-UHFFFAOYSA-N 1 2 292.452 2.373 20 30 CEEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602762056 347187774 /nfs/dbraw/zinc/18/77/74/347187774.db2.gz FYHOWHNRNPLLHN-JTQLQIEISA-N 1 2 250.298 2.196 20 30 CEEDLO N#CCC1(C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)CC1 ZINC000602844115 347221291 /nfs/dbraw/zinc/22/12/91/347221291.db2.gz AJNUTXYOTBSWDV-OAHLLOKOSA-N 1 2 289.423 2.451 20 30 CEEDLO N#CCC1(C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)CC1 ZINC000602844115 347221292 /nfs/dbraw/zinc/22/12/92/347221292.db2.gz AJNUTXYOTBSWDV-OAHLLOKOSA-N 1 2 289.423 2.451 20 30 CEEDLO Cc1ncc(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000125676624 136706750 /nfs/dbraw/zinc/70/67/50/136706750.db2.gz PCUGIYUZLYRFEA-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C[C@H]1C[NH+](Cc2cc(F)ccc2F)C[C@H](C)N1CC#N ZINC000602861825 347229080 /nfs/dbraw/zinc/22/90/80/347229080.db2.gz MAQQEVQNRYDDHI-RYUDHWBXSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000602863212 347229936 /nfs/dbraw/zinc/22/99/36/347229936.db2.gz LWWDDGHEMLZQFZ-ZDUSSCGKSA-N 1 2 291.420 2.177 20 30 CEEDLO CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602863133 347230257 /nfs/dbraw/zinc/23/02/57/347230257.db2.gz LONFOAXHFLICIJ-XJKSGUPXSA-N 1 2 273.380 2.392 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000602867523 347230956 /nfs/dbraw/zinc/23/09/56/347230956.db2.gz DPCKDPHJUXWAFX-KGLIPLIRSA-N 1 2 284.363 2.214 20 30 CEEDLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602868184 347231437 /nfs/dbraw/zinc/23/14/37/347231437.db2.gz HSICUIBOSQYCLC-SNVBAGLBSA-N 1 2 265.744 2.479 20 30 CEEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000602903297 347242874 /nfs/dbraw/zinc/24/28/74/347242874.db2.gz PRXVEPLGYMXWNY-PWSUYJOCSA-N 1 2 258.312 2.425 20 30 CEEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000602903297 347242877 /nfs/dbraw/zinc/24/28/77/347242877.db2.gz PRXVEPLGYMXWNY-PWSUYJOCSA-N 1 2 258.312 2.425 20 30 CEEDLO CCOC(=O)[C@@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911416 347244829 /nfs/dbraw/zinc/24/48/29/347244829.db2.gz ZNLROJYQUUGVAW-GFCCVEGCSA-N 1 2 287.363 2.084 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924811 347248575 /nfs/dbraw/zinc/24/85/75/347248575.db2.gz DNGTXMLLIUVUKS-TZMCWYRMSA-N 1 2 289.379 2.423 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924811 347248578 /nfs/dbraw/zinc/24/85/78/347248578.db2.gz DNGTXMLLIUVUKS-TZMCWYRMSA-N 1 2 289.379 2.423 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CCSCC2)CC1 ZINC000602948609 347254823 /nfs/dbraw/zinc/25/48/23/347254823.db2.gz BKYYHWZCOKEZRS-LBPRGKRZSA-N 1 2 269.410 2.323 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973890 347259815 /nfs/dbraw/zinc/25/98/15/347259815.db2.gz HDJFPORJZOHNMU-QPSCCSFWSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973890 347259817 /nfs/dbraw/zinc/25/98/17/347259817.db2.gz HDJFPORJZOHNMU-QPSCCSFWSA-N 1 2 277.412 2.305 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973800 347260210 /nfs/dbraw/zinc/26/02/10/347260210.db2.gz FNGAHHWFAIUCPF-RRFJBIMHSA-N 1 2 277.412 2.402 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973800 347260215 /nfs/dbraw/zinc/26/02/15/347260215.db2.gz FNGAHHWFAIUCPF-RRFJBIMHSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976516 347262240 /nfs/dbraw/zinc/26/22/40/347262240.db2.gz QQXCTQOXFKWFLQ-HZSPNIEDSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976516 347262242 /nfs/dbraw/zinc/26/22/42/347262242.db2.gz QQXCTQOXFKWFLQ-HZSPNIEDSA-N 1 2 263.385 2.011 20 30 CEEDLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[C@@H]1C#N ZINC000603006721 347271384 /nfs/dbraw/zinc/27/13/84/347271384.db2.gz JXWMMUBJFTWKPL-YPMHNXCESA-N 1 2 283.335 2.490 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000603071892 347281353 /nfs/dbraw/zinc/28/13/53/347281353.db2.gz FNTFMVCCFHNHQO-LBPRGKRZSA-N 1 2 299.309 2.030 20 30 CEEDLO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000609030760 347624898 /nfs/dbraw/zinc/62/48/98/347624898.db2.gz GSPXVMMMHMTKJW-DZGCQCFKSA-N 1 2 273.380 2.488 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609130944 347626870 /nfs/dbraw/zinc/62/68/70/347626870.db2.gz CUBWZGJEBFTCTL-HNNXBMFYSA-N 1 2 280.331 2.232 20 30 CEEDLO N#Cc1c(C[N@@H+](CC(N)=O)C2CCCC2)cn2ccccc12 ZINC000609138978 347627599 /nfs/dbraw/zinc/62/75/99/347627599.db2.gz VHYYARAJXKTQPE-UHFFFAOYSA-N 1 2 296.374 2.041 20 30 CEEDLO N#Cc1c(C[N@H+](CC(N)=O)C2CCCC2)cn2ccccc12 ZINC000609138978 347627601 /nfs/dbraw/zinc/62/76/01/347627601.db2.gz VHYYARAJXKTQPE-UHFFFAOYSA-N 1 2 296.374 2.041 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000609486320 347640301 /nfs/dbraw/zinc/64/03/01/347640301.db2.gz IGEFAJSIGKNDPU-KRWDZBQOSA-N 1 2 282.391 2.224 20 30 CEEDLO C=C(CC)C[N@H+](CCOC)CC(=O)OC(C)(C)C ZINC000611346904 347769492 /nfs/dbraw/zinc/76/94/92/347769492.db2.gz PXQVEYQSDLHFLT-UHFFFAOYSA-N 1 2 257.374 2.243 20 30 CEEDLO C=C(CC)C[N@@H+](CCOC)CC(=O)OC(C)(C)C ZINC000611346904 347769494 /nfs/dbraw/zinc/76/94/94/347769494.db2.gz PXQVEYQSDLHFLT-UHFFFAOYSA-N 1 2 257.374 2.243 20 30 CEEDLO N#Cc1ccc(NC(=O)C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC000611180260 347749259 /nfs/dbraw/zinc/74/92/59/347749259.db2.gz VUQQGEHGOPETFK-UHFFFAOYSA-N 1 2 291.301 2.228 20 30 CEEDLO N#Cc1c(N2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccn12 ZINC000611751753 347813666 /nfs/dbraw/zinc/81/36/66/347813666.db2.gz VGEOZFOPNLNZSC-CYBMUJFWSA-N 1 2 292.346 2.244 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501648 347785966 /nfs/dbraw/zinc/78/59/66/347785966.db2.gz GEDRZCPMBQLZAF-RDBSUJKOSA-N 1 2 295.402 2.397 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501648 347785968 /nfs/dbraw/zinc/78/59/68/347785968.db2.gz GEDRZCPMBQLZAF-RDBSUJKOSA-N 1 2 295.402 2.397 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc12 ZINC000612166612 347852893 /nfs/dbraw/zinc/85/28/93/347852893.db2.gz DDDPOLSXLLGEST-MRXNPFEDSA-N 1 2 283.379 2.402 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@](C)(C#N)C3)cc12 ZINC000612166612 347852895 /nfs/dbraw/zinc/85/28/95/347852895.db2.gz DDDPOLSXLLGEST-MRXNPFEDSA-N 1 2 283.379 2.402 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167963 347853381 /nfs/dbraw/zinc/85/33/81/347853381.db2.gz ZYNCTXDDRKZBAW-WMLDXEAASA-N 1 2 285.391 2.317 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167963 347853385 /nfs/dbraw/zinc/85/33/85/347853385.db2.gz ZYNCTXDDRKZBAW-WMLDXEAASA-N 1 2 285.391 2.317 20 30 CEEDLO Cc1ccc2nc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc(=O)n2c1 ZINC000612166945 347853674 /nfs/dbraw/zinc/85/36/74/347853674.db2.gz YOFFXYOYSUPELZ-QGZVFWFLSA-N 1 2 296.374 2.129 20 30 CEEDLO Cc1ccc2nc(C[N@H+]3CCC[C@](C)(C#N)C3)cc(=O)n2c1 ZINC000612166945 347853676 /nfs/dbraw/zinc/85/36/76/347853676.db2.gz YOFFXYOYSUPELZ-QGZVFWFLSA-N 1 2 296.374 2.129 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC[NH+]1CCOCC1 ZINC000336855511 365928477 /nfs/dbraw/zinc/92/84/77/365928477.db2.gz IGWCZUMXQMZTJR-ZWKOTPCHSA-N 1 2 299.418 2.090 20 30 CEEDLO Cc1c(Cl)cnc(N[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000273318419 192111039 /nfs/dbraw/zinc/11/10/39/192111039.db2.gz JUQRCGRWHMQGIC-SNVBAGLBSA-N 1 2 294.786 2.048 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000614401075 348193575 /nfs/dbraw/zinc/19/35/75/348193575.db2.gz ZZELQYHDWMPFSF-JMERFSKESA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000614401075 348193578 /nfs/dbraw/zinc/19/35/78/348193578.db2.gz ZZELQYHDWMPFSF-JMERFSKESA-N 1 2 276.405 2.208 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC2(C#N)CC2)C1 ZINC000614923413 348254823 /nfs/dbraw/zinc/25/48/23/348254823.db2.gz ACVLNLKVXDXXQB-NSHDSACASA-N 1 2 262.275 2.333 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000614923413 348254825 /nfs/dbraw/zinc/25/48/25/348254825.db2.gz ACVLNLKVXDXXQB-NSHDSACASA-N 1 2 262.275 2.333 20 30 CEEDLO Cc1cccn2cc(CCNc3ccc(C)c(C#N)n3)[nH+]c12 ZINC000615703201 348377434 /nfs/dbraw/zinc/37/74/34/348377434.db2.gz QGNNGQURPNMSPU-UHFFFAOYSA-N 1 2 291.358 2.294 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616696918 348563190 /nfs/dbraw/zinc/56/31/90/348563190.db2.gz LOSYZWDRTXKNSP-CHWSQXEVSA-N 1 2 261.369 2.386 20 30 CEEDLO Cc1nc(C(=O)Nc2cccc3[nH+]ccn32)ccc1C#N ZINC000357443448 233072450 /nfs/dbraw/zinc/07/24/50/233072450.db2.gz XFIRZHFGWYYCKU-UHFFFAOYSA-N 1 2 277.287 2.162 20 30 CEEDLO C=CCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000617617395 348751781 /nfs/dbraw/zinc/75/17/81/348751781.db2.gz FJTGZILJWFPCQL-UHFFFAOYSA-N 1 2 257.337 2.427 20 30 CEEDLO C=CC[N@@H+](Cc1cn(C)cn1)Cc1cccc(C#N)c1 ZINC000618904094 349063317 /nfs/dbraw/zinc/06/33/17/349063317.db2.gz LOAHKCDVURVVOX-UHFFFAOYSA-N 1 2 266.348 2.480 20 30 CEEDLO C=CC[N@H+](Cc1cn(C)cn1)Cc1cccc(C#N)c1 ZINC000618904094 349063321 /nfs/dbraw/zinc/06/33/21/349063321.db2.gz LOAHKCDVURVVOX-UHFFFAOYSA-N 1 2 266.348 2.480 20 30 CEEDLO C=CCN(Cc1cn(C)c[nH+]1)Cc1cccc(C#N)c1 ZINC000618904094 349063323 /nfs/dbraw/zinc/06/33/23/349063323.db2.gz LOAHKCDVURVVOX-UHFFFAOYSA-N 1 2 266.348 2.480 20 30 CEEDLO C=CCC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000619108042 349120206 /nfs/dbraw/zinc/12/02/06/349120206.db2.gz 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251.333 2.254 20 30 CEEDLO C=CCSCC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000275841443 193143392 /nfs/dbraw/zinc/14/33/92/193143392.db2.gz UTKAIZNJGUCUMR-CQSZACIVSA-N 1 2 297.395 2.419 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000275777326 193125650 /nfs/dbraw/zinc/12/56/50/193125650.db2.gz ZLJPDLLTYRFIER-IUODEOHRSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000275777326 193125652 /nfs/dbraw/zinc/12/56/52/193125652.db2.gz ZLJPDLLTYRFIER-IUODEOHRSA-N 1 2 292.404 2.128 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000275785655 193127929 /nfs/dbraw/zinc/12/79/29/193127929.db2.gz NBPWSLOUNKHMHW-XJKSGUPXSA-N 1 2 291.395 2.345 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ncn(C)n1 ZINC000275812645 193135690 /nfs/dbraw/zinc/13/56/90/193135690.db2.gz ZRYCEMKCJOLHNI-QWRGUYRKSA-N 1 2 255.325 2.099 20 30 CEEDLO C[C@H]1CCN(Cc2nc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000582578131 366928064 /nfs/dbraw/zinc/92/80/64/366928064.db2.gz PSVPDZFLYVHQNS-AAEUAGOBSA-N 1 2 287.392 2.294 20 30 CEEDLO C[C@@H]1[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCOC1(C)C ZINC000582609544 366934085 /nfs/dbraw/zinc/93/40/85/366934085.db2.gz MLCGUMAOGGIQCW-NSHDSACASA-N 1 2 289.335 2.466 20 30 CEEDLO C[C@@H]1[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCOC1(C)C ZINC000582609544 366934088 /nfs/dbraw/zinc/93/40/88/366934088.db2.gz MLCGUMAOGGIQCW-NSHDSACASA-N 1 2 289.335 2.466 20 30 CEEDLO Cc1nc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc[nH+]1 ZINC000340874760 367069127 /nfs/dbraw/zinc/06/91/27/367069127.db2.gz FWPFVKBCABFHEL-UHFFFAOYSA-N 1 2 290.330 2.081 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000602865188 367217494 /nfs/dbraw/zinc/21/74/94/367217494.db2.gz UJSTUZQLEWCRGP-NEPJUHHUSA-N 1 2 251.374 2.058 20 30 CEEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602865434 367217729 /nfs/dbraw/zinc/21/77/29/367217729.db2.gz YDAIEHXQNRGJQV-CHWSQXEVSA-N 1 2 289.379 2.106 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602865996 367218262 /nfs/dbraw/zinc/21/82/62/367218262.db2.gz XXQAFHWCMJBQTP-UONOGXRCSA-N 1 2 273.380 2.315 20 30 CEEDLO CC1(C)C[N@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000170640405 367389326 /nfs/dbraw/zinc/38/93/26/367389326.db2.gz OOAMGHZRJBFQOF-UHFFFAOYSA-N 1 2 277.343 2.220 20 30 CEEDLO CC1(C)C[N@@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000170640405 367389331 /nfs/dbraw/zinc/38/93/31/367389331.db2.gz OOAMGHZRJBFQOF-UHFFFAOYSA-N 1 2 277.343 2.220 20 30 CEEDLO C=C(C)CC[N@@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000681402941 541546726 /nfs/dbraw/zinc/54/67/26/541546726.db2.gz FVVRGXBYLOURAO-MRXNPFEDSA-N 1 2 298.390 2.082 20 30 CEEDLO C=C(C)CC[N@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000681402941 541546730 /nfs/dbraw/zinc/54/67/30/541546730.db2.gz FVVRGXBYLOURAO-MRXNPFEDSA-N 1 2 298.390 2.082 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1cccc(C#N)c1)C1CCC1 ZINC000342628288 367457793 /nfs/dbraw/zinc/45/77/93/367457793.db2.gz CROHBGSGJCBWSI-UHFFFAOYSA-N 1 2 272.348 2.476 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1cccc(C#N)c1)C1CCC1 ZINC000342628288 367457798 /nfs/dbraw/zinc/45/77/98/367457798.db2.gz CROHBGSGJCBWSI-UHFFFAOYSA-N 1 2 272.348 2.476 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000343611210 367916151 /nfs/dbraw/zinc/91/61/51/367916151.db2.gz DXOORLDJTCCAFU-LLVKDONJSA-N 1 2 268.744 2.152 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)C1=O ZINC000343611210 367916156 /nfs/dbraw/zinc/91/61/56/367916156.db2.gz DXOORLDJTCCAFU-LLVKDONJSA-N 1 2 268.744 2.152 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000633181064 368096508 /nfs/dbraw/zinc/09/65/08/368096508.db2.gz YUJBNZMTWGUEJE-ZDUSSCGKSA-N 1 2 290.411 2.490 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C#N)c[nH]2)c1C ZINC000175472788 368140759 /nfs/dbraw/zinc/14/07/59/368140759.db2.gz FETFXVIZMBJTKK-UHFFFAOYSA-N 1 2 298.346 2.179 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000335491170 212168564 /nfs/dbraw/zinc/16/85/64/212168564.db2.gz LHBUSWFDHCFIFB-ZDUSSCGKSA-N 1 2 280.331 2.264 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000633965398 368476390 /nfs/dbraw/zinc/47/63/90/368476390.db2.gz RJZVMHUXPRNTFI-CQSZACIVSA-N 1 2 292.427 2.131 20 30 CEEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000182166258 368531121 /nfs/dbraw/zinc/53/11/21/368531121.db2.gz CCEJMALOONEIAG-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000182166258 368531123 /nfs/dbraw/zinc/53/11/23/368531123.db2.gz CCEJMALOONEIAG-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO C=CCN1CC[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)C1=O ZINC000634581066 368726812 /nfs/dbraw/zinc/72/68/12/368726812.db2.gz PGYJVAIMXVUCMK-ZIAGYGMSSA-N 1 2 280.318 2.213 20 30 CEEDLO C=CCOCCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000348027216 368863643 /nfs/dbraw/zinc/86/36/43/368863643.db2.gz BLPXLCJNBIZIRY-UHFFFAOYSA-N 1 2 292.354 2.067 20 30 CEEDLO C=CCOCCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000348027216 368863647 /nfs/dbraw/zinc/86/36/47/368863647.db2.gz BLPXLCJNBIZIRY-UHFFFAOYSA-N 1 2 292.354 2.067 20 30 CEEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000348057182 368877977 /nfs/dbraw/zinc/87/79/77/368877977.db2.gz SOTKLRBZMKHHQD-LBPRGKRZSA-N 1 2 268.382 2.109 20 30 CEEDLO C=CCOCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000348057182 368877981 /nfs/dbraw/zinc/87/79/81/368877981.db2.gz SOTKLRBZMKHHQD-LBPRGKRZSA-N 1 2 268.382 2.109 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000187328712 369139590 /nfs/dbraw/zinc/13/95/90/369139590.db2.gz CVUFUJRXEUYRAC-MRXNPFEDSA-N 1 2 271.364 2.049 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000187328712 369139593 /nfs/dbraw/zinc/13/95/93/369139593.db2.gz CVUFUJRXEUYRAC-MRXNPFEDSA-N 1 2 271.364 2.049 20 30 CEEDLO Cc1nnc([C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)[nH]1 ZINC000187708931 369208360 /nfs/dbraw/zinc/20/83/60/369208360.db2.gz HQDZNNUPXKBKEI-NHYWBVRUSA-N 1 2 297.362 2.119 20 30 CEEDLO Cc1nnc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)[nH]1 ZINC000187708931 369208363 /nfs/dbraw/zinc/20/83/63/369208363.db2.gz HQDZNNUPXKBKEI-NHYWBVRUSA-N 1 2 297.362 2.119 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1cn2cccc(F)c2n1 ZINC000683001058 541749651 /nfs/dbraw/zinc/74/96/51/541749651.db2.gz NUXKUQUPBQSNAF-UHFFFAOYSA-N 1 2 263.316 2.108 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1cn2cccc(F)c2n1 ZINC000683001058 541749655 /nfs/dbraw/zinc/74/96/55/541749655.db2.gz NUXKUQUPBQSNAF-UHFFFAOYSA-N 1 2 263.316 2.108 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1cccc(C#N)c1 ZINC000349234053 369271460 /nfs/dbraw/zinc/27/14/60/369271460.db2.gz AOPRGUNODMDWRL-GHMZBOCLSA-N 1 2 284.319 2.224 20 30 CEEDLO CC[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H](O)C(F)(F)F ZINC000189436104 369517686 /nfs/dbraw/zinc/51/76/86/369517686.db2.gz YQWICQRLIJNUGP-GFCCVEGCSA-N 1 2 290.260 2.442 20 30 CEEDLO CC[N@H+](Cc1cc(C#N)ccc1F)C[C@@H](O)C(F)(F)F ZINC000189436104 369517688 /nfs/dbraw/zinc/51/76/88/369517688.db2.gz YQWICQRLIJNUGP-GFCCVEGCSA-N 1 2 290.260 2.442 20 30 CEEDLO C[C@H]1CSCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000190458346 369626268 /nfs/dbraw/zinc/62/62/68/369626268.db2.gz FTGOSHMRYSTZBB-SNVBAGLBSA-N 1 2 295.433 2.243 20 30 CEEDLO C[C@H]1CSCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000190458346 369626273 /nfs/dbraw/zinc/62/62/73/369626273.db2.gz FTGOSHMRYSTZBB-SNVBAGLBSA-N 1 2 295.433 2.243 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](CC)C(=O)OC(C)(C)C ZINC000191083401 369674999 /nfs/dbraw/zinc/67/49/99/369674999.db2.gz FBDUAPIMJUBSKA-GFCCVEGCSA-N 1 2 257.374 2.241 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](CC)C(=O)OC(C)(C)C ZINC000191083401 369675002 /nfs/dbraw/zinc/67/50/02/369675002.db2.gz FBDUAPIMJUBSKA-GFCCVEGCSA-N 1 2 257.374 2.241 20 30 CEEDLO Cn1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc1C#N ZINC000191160918 369686660 /nfs/dbraw/zinc/68/66/60/369686660.db2.gz STUVKDPHRUUACH-UHFFFAOYSA-N 1 2 298.365 2.358 20 30 CEEDLO N#CC1(F)CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000352451234 369736904 /nfs/dbraw/zinc/73/69/04/369736904.db2.gz VJBUIJKZASUIDR-CQSZACIVSA-N 1 2 287.338 2.268 20 30 CEEDLO C#CCOc1cccc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000276542559 193374822 /nfs/dbraw/zinc/37/48/22/193374822.db2.gz GHCMWPPWQFJLRV-UHFFFAOYSA-N 1 2 283.331 2.003 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000192235429 369781778 /nfs/dbraw/zinc/78/17/78/369781778.db2.gz QDYOXMQZVZSHJK-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000192235429 369781779 /nfs/dbraw/zinc/78/17/79/369781779.db2.gz QDYOXMQZVZSHJK-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO CC(=O)Nc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352836133 369903650 /nfs/dbraw/zinc/90/36/50/369903650.db2.gz ROWCYJPYTXVXIO-UHFFFAOYSA-N 1 2 286.360 2.263 20 30 CEEDLO N#Cc1csc(C[NH2+][C@@H]2COc3ccc(F)cc32)n1 ZINC000352870690 369924099 /nfs/dbraw/zinc/92/40/99/369924099.db2.gz LFLQCGDPVNVLGU-LLVKDONJSA-N 1 2 275.308 2.377 20 30 CEEDLO C=CCOc1cccc(C[NH+]2CCN(CCOC)CC2)c1 ZINC000194617963 370058877 /nfs/dbraw/zinc/05/88/77/370058877.db2.gz HDMZXYRTXKIXKR-UHFFFAOYSA-N 1 2 290.407 2.015 20 30 CEEDLO CCn1cnnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000224595420 370281028 /nfs/dbraw/zinc/28/10/28/370281028.db2.gz WWMWDPXQABLNAI-NSHDSACASA-N 1 2 255.325 2.020 20 30 CEEDLO COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000234985773 370552000 /nfs/dbraw/zinc/55/20/00/370552000.db2.gz CPCXYLJGFYFPKZ-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000234985773 370552004 /nfs/dbraw/zinc/55/20/04/370552004.db2.gz CPCXYLJGFYFPKZ-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000235005911 370554017 /nfs/dbraw/zinc/55/40/17/370554017.db2.gz OGEVFHBYDIFHRU-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000358580616 371126196 /nfs/dbraw/zinc/12/61/96/371126196.db2.gz YJBPYIQZZRATPT-LLVKDONJSA-N 1 2 299.353 2.404 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1)C1CC1 ZINC000247579586 371127514 /nfs/dbraw/zinc/12/75/14/371127514.db2.gz YFNPLBRNFKFKHH-XJKSGUPXSA-N 1 2 287.363 2.225 20 30 CEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccco1)C1CC1 ZINC000247579586 371127515 /nfs/dbraw/zinc/12/75/15/371127515.db2.gz YFNPLBRNFKFKHH-XJKSGUPXSA-N 1 2 287.363 2.225 20 30 CEEDLO COC1(CO)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000683675977 541842781 /nfs/dbraw/zinc/84/27/81/541842781.db2.gz LGHDVXQIDVPPCE-UHFFFAOYSA-N 1 2 293.794 2.165 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000249922808 371369818 /nfs/dbraw/zinc/36/98/18/371369818.db2.gz ZCMJBFGPKRPTAM-UONOGXRCSA-N 1 2 265.401 2.281 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000249922808 371369821 /nfs/dbraw/zinc/36/98/21/371369821.db2.gz ZCMJBFGPKRPTAM-UONOGXRCSA-N 1 2 265.401 2.281 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)C[C@@H](C)C#N ZINC000250230078 371380965 /nfs/dbraw/zinc/38/09/65/371380965.db2.gz IVFSAMPDWCVNES-NWDGAFQWSA-N 1 2 279.409 2.407 20 30 CEEDLO CC[N@H+](CC(=O)N[C@H](C)c1cccs1)C[C@@H](C)C#N ZINC000250230078 371380969 /nfs/dbraw/zinc/38/09/69/371380969.db2.gz IVFSAMPDWCVNES-NWDGAFQWSA-N 1 2 279.409 2.407 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639748443 371541177 /nfs/dbraw/zinc/54/11/77/371541177.db2.gz FJDIQJXATULQRB-OAHLLOKOSA-N 1 2 295.471 2.073 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639748443 371541188 /nfs/dbraw/zinc/54/11/88/371541188.db2.gz FJDIQJXATULQRB-OAHLLOKOSA-N 1 2 295.471 2.073 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1c(C)nc2sc(C)nn12 ZINC000361647583 372001346 /nfs/dbraw/zinc/00/13/46/372001346.db2.gz ZCIGVLRGDKDJKR-UHFFFAOYSA-N 1 2 280.397 2.042 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1c(C)nc2sc(C)nn12 ZINC000361647583 372001348 /nfs/dbraw/zinc/00/13/48/372001348.db2.gz ZCIGVLRGDKDJKR-UHFFFAOYSA-N 1 2 280.397 2.042 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC000268616401 372155314 /nfs/dbraw/zinc/15/53/14/372155314.db2.gz NOOSHIVDGTUPAP-UHFFFAOYSA-N 1 2 294.757 2.260 20 30 CEEDLO CNC(=O)CC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000362293963 372300393 /nfs/dbraw/zinc/30/03/93/372300393.db2.gz BJEWJYWLJYTJIO-UHFFFAOYSA-N 1 2 289.354 2.045 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1cnccc1C#N)CCC2 ZINC000362319552 372312319 /nfs/dbraw/zinc/31/23/19/372312319.db2.gz NONSRHUCVXWWIU-ZDUSSCGKSA-N 1 2 267.336 2.448 20 30 CEEDLO Cn1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000269583392 372497267 /nfs/dbraw/zinc/49/72/67/372497267.db2.gz AIJWLISPFYEQCT-UHFFFAOYSA-N 1 2 252.321 2.071 20 30 CEEDLO C=C1CN(c2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000641659908 372613752 /nfs/dbraw/zinc/61/37/52/372613752.db2.gz WZINARJGOBGSMR-UHFFFAOYSA-N 1 2 252.321 2.477 20 30 CEEDLO C#CC[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000270164970 372686282 /nfs/dbraw/zinc/68/62/82/372686282.db2.gz ZQNRKTMYNBNCPM-INIZCTEOSA-N 1 2 296.374 2.337 20 30 CEEDLO C#CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364769713 372794556 /nfs/dbraw/zinc/79/45/56/372794556.db2.gz LVNHMBAPOTZYSJ-RYUDHWBXSA-N 1 2 273.380 2.166 20 30 CEEDLO C#CC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364769713 372794563 /nfs/dbraw/zinc/79/45/63/372794563.db2.gz LVNHMBAPOTZYSJ-RYUDHWBXSA-N 1 2 273.380 2.166 20 30 CEEDLO Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000333485032 205364594 /nfs/dbraw/zinc/36/45/94/205364594.db2.gz PZEVINGMRCBFHR-ZFWWWQNUSA-N 1 2 257.337 2.053 20 30 CEEDLO Cc1ccc(C#N)c(NCc2cn3c([nH+]2)CCCC3)n1 ZINC000271012773 373065468 /nfs/dbraw/zinc/06/54/68/373065468.db2.gz YAABNAGWSZHAPX-UHFFFAOYSA-N 1 2 267.336 2.407 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+](CCc1ccccc1)CC(=O)OC ZINC000272145909 373328321 /nfs/dbraw/zinc/32/83/21/373328321.db2.gz VHIQGRZDXDWPKU-MRXNPFEDSA-N 1 2 291.391 2.031 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+](CCc1ccccc1)CC(=O)OC ZINC000272145909 373328333 /nfs/dbraw/zinc/32/83/33/373328333.db2.gz VHIQGRZDXDWPKU-MRXNPFEDSA-N 1 2 291.391 2.031 20 30 CEEDLO N#C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CCCCC1 ZINC000369133514 373341361 /nfs/dbraw/zinc/34/13/61/373341361.db2.gz DHQNYYFRAUUPFC-JSGCOSHPSA-N 1 2 286.379 2.418 20 30 CEEDLO N#C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)C1CCCCC1 ZINC000369133514 373341365 /nfs/dbraw/zinc/34/13/65/373341365.db2.gz DHQNYYFRAUUPFC-JSGCOSHPSA-N 1 2 286.379 2.418 20 30 CEEDLO COc1ccncc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000353614617 220193248 /nfs/dbraw/zinc/19/32/48/220193248.db2.gz SYCWHCFHDSQHCG-UHFFFAOYSA-N 1 2 271.295 2.391 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000272937163 373720934 /nfs/dbraw/zinc/72/09/34/373720934.db2.gz RLIDOBCDRMAIBB-GFCCVEGCSA-N 1 2 257.255 2.045 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000272937163 373720942 /nfs/dbraw/zinc/72/09/42/373720942.db2.gz RLIDOBCDRMAIBB-GFCCVEGCSA-N 1 2 257.255 2.045 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371463672 373891058 /nfs/dbraw/zinc/89/10/58/373891058.db2.gz KEBKVWAJXZMBHN-INIZCTEOSA-N 1 2 282.347 2.163 20 30 CEEDLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371463672 373891065 /nfs/dbraw/zinc/89/10/65/373891065.db2.gz KEBKVWAJXZMBHN-INIZCTEOSA-N 1 2 282.347 2.163 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)C1CC1 ZINC000274237054 373851145 /nfs/dbraw/zinc/85/11/45/373851145.db2.gz XKUWFJRTHGOBTD-UHFFFAOYSA-N 1 2 299.374 2.049 20 30 CEEDLO C#CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)C1CC1 ZINC000274237054 373851151 /nfs/dbraw/zinc/85/11/51/373851151.db2.gz XKUWFJRTHGOBTD-UHFFFAOYSA-N 1 2 299.374 2.049 20 30 CEEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1CC#CCOC ZINC000645134941 373869728 /nfs/dbraw/zinc/86/97/28/373869728.db2.gz WRHADKLMPHUJLN-CQSZACIVSA-N 1 2 261.369 2.080 20 30 CEEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1CC#CCOC ZINC000645134941 373869734 /nfs/dbraw/zinc/86/97/34/373869734.db2.gz WRHADKLMPHUJLN-CQSZACIVSA-N 1 2 261.369 2.080 20 30 CEEDLO CC#CCCCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372008496 374021257 /nfs/dbraw/zinc/02/12/57/374021257.db2.gz FJVKAZZPOQFWHI-OAHLLOKOSA-N 1 2 285.391 2.360 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371782189 373978054 /nfs/dbraw/zinc/97/80/54/373978054.db2.gz UFUQFXNVOKXYAY-CVEARBPZSA-N 1 2 283.375 2.060 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371782189 373978061 /nfs/dbraw/zinc/97/80/61/373978061.db2.gz UFUQFXNVOKXYAY-CVEARBPZSA-N 1 2 283.375 2.060 20 30 CEEDLO CC#CC[C@@H](CO)Nc1cc[nH+]c2c(OC)cccc12 ZINC000645407082 374035188 /nfs/dbraw/zinc/03/51/88/374035188.db2.gz KSIPOVISEDPUSA-LBPRGKRZSA-N 1 2 270.332 2.430 20 30 CEEDLO CC#CC[C@H](CO)Nc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000645407480 374037263 /nfs/dbraw/zinc/03/72/63/374037263.db2.gz YEXKXWVUQZXPHY-LLVKDONJSA-N 1 2 280.331 2.297 20 30 CEEDLO Cc1nnc(N(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)c1C ZINC000372988991 374237944 /nfs/dbraw/zinc/23/79/44/374237944.db2.gz HETBETGLLONKHH-UHFFFAOYSA-N 1 2 296.378 2.134 20 30 CEEDLO Fc1cccnc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000277058676 374390615 /nfs/dbraw/zinc/39/06/15/374390615.db2.gz VQBQDJBQRRQQCF-UHFFFAOYSA-N 1 2 295.361 2.394 20 30 CEEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277115687 374407963 /nfs/dbraw/zinc/40/79/63/374407963.db2.gz MZBRPLZYLDPQNJ-UHFFFAOYSA-N 1 2 295.386 2.006 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000281119444 375355352 /nfs/dbraw/zinc/35/53/52/375355352.db2.gz XUPLBSHMOBYIKT-GFCCVEGCSA-N 1 2 272.352 2.488 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281295525 375368918 /nfs/dbraw/zinc/36/89/18/375368918.db2.gz IVYWQPVTAFZCCF-CQSZACIVSA-N 1 2 288.395 2.268 20 30 CEEDLO Cc1cnn(CC[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000405095510 375380455 /nfs/dbraw/zinc/38/04/55/375380455.db2.gz XEARNOCOJJWRMJ-UHFFFAOYSA-N 1 2 252.321 2.079 20 30 CEEDLO Cc1cnn(CC[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000405095510 375380465 /nfs/dbraw/zinc/38/04/65/375380465.db2.gz XEARNOCOJJWRMJ-UHFFFAOYSA-N 1 2 252.321 2.079 20 30 CEEDLO C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000281465280 375381817 /nfs/dbraw/zinc/38/18/17/375381817.db2.gz UKHKJBYIXXJBAY-UONOGXRCSA-N 1 2 276.384 2.412 20 30 CEEDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)c(OC)c1 ZINC000282145562 375414968 /nfs/dbraw/zinc/41/49/68/375414968.db2.gz CJMFWBFMXHMXBY-LBPRGKRZSA-N 1 2 290.363 2.340 20 30 CEEDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(OC)c1 ZINC000282145562 375414976 /nfs/dbraw/zinc/41/49/76/375414976.db2.gz CJMFWBFMXHMXBY-LBPRGKRZSA-N 1 2 290.363 2.340 20 30 CEEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000282600185 375526912 /nfs/dbraw/zinc/52/69/12/375526912.db2.gz HJSQLGNQTXCYFW-UHFFFAOYSA-N 1 2 287.342 2.334 20 30 CEEDLO Cc1nsc(N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000283918884 375781308 /nfs/dbraw/zinc/78/13/08/375781308.db2.gz WYLAPKRKRPZQJI-UHFFFAOYSA-N 1 2 273.365 2.361 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000286131293 375852939 /nfs/dbraw/zinc/85/29/39/375852939.db2.gz YLISYXQSEFROLU-UHFFFAOYSA-N 1 2 295.346 2.345 20 30 CEEDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000286891453 376093899 /nfs/dbraw/zinc/09/38/99/376093899.db2.gz OQXCGCQXQDDMDW-LBPRGKRZSA-N 1 2 299.403 2.293 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000419247392 376412170 /nfs/dbraw/zinc/41/21/70/376412170.db2.gz PMPDMPYALFMHJT-PMPSAXMXSA-N 1 2 289.375 2.094 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)ccc1C#N ZINC000558169148 376596580 /nfs/dbraw/zinc/59/65/80/376596580.db2.gz CMSKSGHDCUXRNT-AWEZNQCLSA-N 1 2 297.362 2.070 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)ccc1C#N ZINC000558169148 376596583 /nfs/dbraw/zinc/59/65/83/376596583.db2.gz CMSKSGHDCUXRNT-AWEZNQCLSA-N 1 2 297.362 2.070 20 30 CEEDLO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000264309578 190103164 /nfs/dbraw/zinc/10/31/64/190103164.db2.gz SOSSBBMYBXXLEE-GHMZBOCLSA-N 1 2 294.786 2.128 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000264512743 190115242 /nfs/dbraw/zinc/11/52/42/190115242.db2.gz YGQHADONPLCKFA-UHFFFAOYSA-N 1 2 288.347 2.064 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000562260596 376854165 /nfs/dbraw/zinc/85/41/65/376854165.db2.gz SEWJALXEUZWILX-UHFFFAOYSA-N 1 2 294.358 2.025 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C1CCC1)CCC2 ZINC000328651987 376871897 /nfs/dbraw/zinc/87/18/97/376871897.db2.gz KFXAKYKLFMIBDG-LBPRGKRZSA-N 1 2 276.384 2.467 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC000328674793 376876129 /nfs/dbraw/zinc/87/61/29/376876129.db2.gz QGDYOXACSPWIQA-JTQLQIEISA-N 1 2 273.340 2.028 20 30 CEEDLO CC1(C)SC[C@@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328711981 376883338 /nfs/dbraw/zinc/88/33/38/376883338.db2.gz BJLLXQSZLWGELP-QWRGUYRKSA-N 1 2 294.424 2.158 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)CC1CC1)CCC2 ZINC000328703696 376883402 /nfs/dbraw/zinc/88/34/02/376883402.db2.gz KEYUSOOYKCXMJE-ZDUSSCGKSA-N 1 2 276.384 2.325 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(nnn3-c3ccccc3)C2)C1 ZINC000328748962 376891232 /nfs/dbraw/zinc/89/12/32/376891232.db2.gz BKPPNSKMGLIJNU-UKRRQHHQSA-N 1 2 293.374 2.318 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(nnn3-c3ccccc3)C2)C1 ZINC000328748962 376891234 /nfs/dbraw/zinc/89/12/34/376891234.db2.gz BKPPNSKMGLIJNU-UKRRQHHQSA-N 1 2 293.374 2.318 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c[nH+]1 ZINC000328764123 376893200 /nfs/dbraw/zinc/89/32/00/376893200.db2.gz GBUGKUJMTWVOTF-LBPRGKRZSA-N 1 2 287.367 2.358 20 30 CEEDLO [O-]C(NC1CCC(F)(F)CC1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720824 377001694 /nfs/dbraw/zinc/00/16/94/377001694.db2.gz MWJWDTCWGFDZGJ-SNVBAGLBSA-N 1 2 298.337 2.349 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2ccoc2c1 ZINC000563009301 377057715 /nfs/dbraw/zinc/05/77/15/377057715.db2.gz LCRZXZZISQBUCB-AWEZNQCLSA-N 1 2 273.336 2.051 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2ccoc2c1 ZINC000563009301 377057722 /nfs/dbraw/zinc/05/77/22/377057722.db2.gz LCRZXZZISQBUCB-AWEZNQCLSA-N 1 2 273.336 2.051 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000292677786 377262402 /nfs/dbraw/zinc/26/24/02/377262402.db2.gz 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ZINC000329739335 394582035 /nfs/dbraw/zinc/58/20/35/394582035.db2.gz NHNTZNWLAZQLKX-GRYCIOLGSA-N 1 2 276.384 2.159 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[C@@]13CCOC3)CCC2 ZINC000329750954 394582843 /nfs/dbraw/zinc/58/28/43/394582843.db2.gz VGXXMSUARVAFCH-HEHGZKQESA-N 1 2 289.379 2.452 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413278453 394517626 /nfs/dbraw/zinc/51/76/26/394517626.db2.gz YWONKUIGTIPLLR-GHMZBOCLSA-N 1 2 250.346 2.036 20 30 CEEDLO C=CC[C@@H](CC)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413278453 394517629 /nfs/dbraw/zinc/51/76/29/394517629.db2.gz YWONKUIGTIPLLR-GHMZBOCLSA-N 1 2 250.346 2.036 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1ccc2c(c1)OCO2 ZINC000356062771 394542713 /nfs/dbraw/zinc/54/27/13/394542713.db2.gz VDVQDTYKPYOMMT-UHFFFAOYSA-N 1 2 287.344 2.375 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1ccc2c(c1)OCO2 ZINC000356062771 394542717 /nfs/dbraw/zinc/54/27/17/394542717.db2.gz VDVQDTYKPYOMMT-UHFFFAOYSA-N 1 2 287.344 2.375 20 30 CEEDLO C#CC[N@@H+](CN1CCOC1=S)[C@H]1CCc2ccccc21 ZINC000049320264 394545185 /nfs/dbraw/zinc/54/51/85/394545185.db2.gz NSKUQPZKVIMTLZ-HNNXBMFYSA-N 1 2 286.400 2.184 20 30 CEEDLO C#CC[N@H+](CN1CCOC1=S)[C@H]1CCc2ccccc21 ZINC000049320264 394545188 /nfs/dbraw/zinc/54/51/88/394545188.db2.gz NSKUQPZKVIMTLZ-HNNXBMFYSA-N 1 2 286.400 2.184 20 30 CEEDLO Cc1cc(CNC(=O)c2ccc(C#N)c(C)n2)cc(C)[nH+]1 ZINC000421579149 394555072 /nfs/dbraw/zinc/55/50/72/394555072.db2.gz SMWNSMXTIBKNRG-UHFFFAOYSA-N 1 2 280.331 2.204 20 30 CEEDLO CCc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1C ZINC000330612226 394621965 /nfs/dbraw/zinc/62/19/65/394621965.db2.gz WWYYQWKNJFASCQ-UHFFFAOYSA-N 1 2 291.395 2.216 20 30 CEEDLO CCCN(C[C@H]1CCCCO1)C(=O)NCc1[nH+]ccn1C ZINC000330662523 394624459 /nfs/dbraw/zinc/62/44/59/394624459.db2.gz WHFJKKLPANAPBS-CYBMUJFWSA-N 1 2 294.399 2.115 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000271139917 394748522 /nfs/dbraw/zinc/74/85/22/394748522.db2.gz UOZQDPPCVPIQHC-LBPRGKRZSA-N 1 2 260.337 2.439 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000271139917 394748527 /nfs/dbraw/zinc/74/85/27/394748527.db2.gz UOZQDPPCVPIQHC-LBPRGKRZSA-N 1 2 260.337 2.439 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccco1 ZINC000109812686 394735099 /nfs/dbraw/zinc/73/50/99/394735099.db2.gz FBASGUXSECAHFU-UHFFFAOYSA-N 1 2 277.368 2.158 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccco1 ZINC000109812686 394735102 /nfs/dbraw/zinc/73/51/02/394735102.db2.gz FBASGUXSECAHFU-UHFFFAOYSA-N 1 2 277.368 2.158 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)[nH]1 ZINC000270748215 394739257 /nfs/dbraw/zinc/73/92/57/394739257.db2.gz XDINCDACNHXWBQ-SNVBAGLBSA-N 1 2 285.351 2.098 20 30 CEEDLO Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000097849653 394700261 /nfs/dbraw/zinc/70/02/61/394700261.db2.gz IEJCPNSCHGLRSQ-CYBMUJFWSA-N 1 2 265.332 2.235 20 30 CEEDLO Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000097849653 394700263 /nfs/dbraw/zinc/70/02/63/394700263.db2.gz IEJCPNSCHGLRSQ-CYBMUJFWSA-N 1 2 265.332 2.235 20 30 CEEDLO CC(=O)N1CCC(C/[NH+]=C/c2ccccc2O)CC1 ZINC000105356729 394721622 /nfs/dbraw/zinc/72/16/22/394721622.db2.gz NXEMGRYAKGOEPA-LFIBNONCSA-N 1 2 260.337 2.070 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000359765131 394775332 /nfs/dbraw/zinc/77/53/32/394775332.db2.gz OMFCKZISJAYWBF-UHFFFAOYSA-N 1 2 284.363 2.323 20 30 CEEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H](C)C#N)[nH+]1 ZINC000335682558 394787542 /nfs/dbraw/zinc/78/75/42/394787542.db2.gz ARVQAJVNSGVEPZ-VIFPVBQESA-N 1 2 254.293 2.483 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC000361106595 394816180 /nfs/dbraw/zinc/81/61/80/394816180.db2.gz FRLUVFKPVMEGFP-RDBSUJKOSA-N 1 2 269.385 2.289 20 30 CEEDLO Cc1ccnc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000363783870 394884879 /nfs/dbraw/zinc/88/48/79/394884879.db2.gz XJNFAIXCRLWIEO-AWEZNQCLSA-N 1 2 283.379 2.408 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000282106796 394909496 /nfs/dbraw/zinc/90/94/96/394909496.db2.gz WPJIFRPCZXVBFK-QGZVFWFLSA-N 1 2 295.386 2.313 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000282106796 394909497 /nfs/dbraw/zinc/90/94/97/394909497.db2.gz WPJIFRPCZXVBFK-QGZVFWFLSA-N 1 2 295.386 2.313 20 30 CEEDLO OC[C@@]1(F)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000338629664 394925091 /nfs/dbraw/zinc/92/50/91/394925091.db2.gz BUKZHOLTPSIAHX-CQSZACIVSA-N 1 2 267.731 2.098 20 30 CEEDLO OC[C@@]1(F)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000338629664 394925096 /nfs/dbraw/zinc/92/50/96/394925096.db2.gz BUKZHOLTPSIAHX-CQSZACIVSA-N 1 2 267.731 2.098 20 30 CEEDLO CC#CCC[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000133200208 394945807 /nfs/dbraw/zinc/94/58/07/394945807.db2.gz YMKLAMCJIHQRMZ-UHFFFAOYSA-N 1 2 259.349 2.465 20 30 CEEDLO CC#CCC[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000133200208 394945808 /nfs/dbraw/zinc/94/58/08/394945808.db2.gz YMKLAMCJIHQRMZ-UHFFFAOYSA-N 1 2 259.349 2.465 20 30 CEEDLO C=CCCCCCN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000153665049 395014906 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Cc1cc(NCc2noc3c2CCCC3)c(C#N)c[nH+]1 ZINC000425266596 395055510 /nfs/dbraw/zinc/05/55/10/395055510.db2.gz IJQAZRGIBYYTDW-UHFFFAOYSA-N 1 2 268.320 2.163 20 30 CEEDLO C#Cc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000289498681 395079264 /nfs/dbraw/zinc/07/92/64/395079264.db2.gz CCSHVZKIDXPVSL-UHFFFAOYSA-N 1 2 268.364 2.304 20 30 CEEDLO OCC[N@H+](CC#Cc1ccc(F)cc1)Cc1cccnc1 ZINC000157030913 395033715 /nfs/dbraw/zinc/03/37/15/395033715.db2.gz UMCWCAKHZXZUJP-UHFFFAOYSA-N 1 2 284.334 2.067 20 30 CEEDLO OCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccnc1 ZINC000157030913 395033721 /nfs/dbraw/zinc/03/37/21/395033721.db2.gz UMCWCAKHZXZUJP-UHFFFAOYSA-N 1 2 284.334 2.067 20 30 CEEDLO COc1cc(F)ccc1N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343315458 395037045 /nfs/dbraw/zinc/03/70/45/395037045.db2.gz QJTZUZSMAOMDQT-UHFFFAOYSA-N 1 2 289.354 2.260 20 30 CEEDLO C[N@H+](CCCCC#N)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000372724717 395045616 /nfs/dbraw/zinc/04/56/16/395045616.db2.gz FXOGVIRDMYYIFX-ZDUSSCGKSA-N 1 2 278.377 2.141 20 30 CEEDLO C[N@@H+](CCCCC#N)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000372724717 395045620 /nfs/dbraw/zinc/04/56/20/395045620.db2.gz FXOGVIRDMYYIFX-ZDUSSCGKSA-N 1 2 278.377 2.141 20 30 CEEDLO COc1cc(C[NH+]2CC(O)(c3ccccc3)C2)ccc1C#N ZINC000291504481 395126278 /nfs/dbraw/zinc/12/62/78/395126278.db2.gz HPZJVIFPYDZUQW-UHFFFAOYSA-N 1 2 294.354 2.270 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCCC#N)C2 ZINC000376057786 395107696 /nfs/dbraw/zinc/10/76/96/395107696.db2.gz RGNANEHLMPFRER-GFCCVEGCSA-N 1 2 288.395 2.448 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCCC#N)CC2 ZINC000376057786 395107701 /nfs/dbraw/zinc/10/77/01/395107701.db2.gz RGNANEHLMPFRER-GFCCVEGCSA-N 1 2 288.395 2.448 20 30 CEEDLO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000376151037 395110203 /nfs/dbraw/zinc/11/02/03/395110203.db2.gz PSRSKWFRDJZJMB-FMKPAKJESA-N 1 2 261.413 2.485 20 30 CEEDLO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000376151037 395110205 /nfs/dbraw/zinc/11/02/05/395110205.db2.gz 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ZINC000179588929 395197134 /nfs/dbraw/zinc/19/71/34/395197134.db2.gz MYIRYCIVLWDNRE-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO CO[C@H](C)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000181598368 395220362 /nfs/dbraw/zinc/22/03/62/395220362.db2.gz TVQCPVGKJIPOOE-SECBINFHSA-N 1 2 256.733 2.206 20 30 CEEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000528725284 395294209 /nfs/dbraw/zinc/29/42/09/395294209.db2.gz PFEVGXILZNMZSS-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000528725284 395294214 /nfs/dbraw/zinc/29/42/14/395294214.db2.gz PFEVGXILZNMZSS-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CC(OCCOCC)C1 ZINC000354188219 395319486 /nfs/dbraw/zinc/31/94/86/395319486.db2.gz DZYZOFNXAPLIEL-UHFFFAOYSA-N 1 2 291.391 2.489 20 30 CEEDLO Cc1ccsc1CNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352485031 395259915 /nfs/dbraw/zinc/25/99/15/395259915.db2.gz WSMBGZUMQMOPIF-UHFFFAOYSA-N 1 2 295.383 2.000 20 30 CEEDLO 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ZINC000071385833 176147475 /nfs/dbraw/zinc/14/74/75/176147475.db2.gz QZNLNIBEFKWHOI-UHFFFAOYSA-N 1 2 263.304 2.415 20 30 CEEDLO N#CC1(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000343578427 224801737 /nfs/dbraw/zinc/80/17/37/224801737.db2.gz BZCOYUHIWFINKE-OAHLLOKOSA-N 1 2 283.375 2.243 20 30 CEEDLO C=CC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000171882316 335083557 /nfs/dbraw/zinc/08/35/57/335083557.db2.gz SYRVZWMUCJTSPN-UHFFFAOYSA-N 1 2 255.321 2.373 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329083978 227288003 /nfs/dbraw/zinc/28/80/03/227288003.db2.gz SXNYRVPWUVEJIS-CZUORRHYSA-N 1 2 296.411 2.155 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329083978 227288008 /nfs/dbraw/zinc/28/80/08/227288008.db2.gz SXNYRVPWUVEJIS-CZUORRHYSA-N 1 2 296.411 2.155 20 30 CEEDLO [O-]C(NC[C@@H]1CC=CCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330187726 228060299 /nfs/dbraw/zinc/06/02/99/228060299.db2.gz KPGBENGUFXCSNV-OLZOCXBDSA-N 1 2 274.368 2.058 20 30 CEEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CC=CCC1 ZINC000330187726 228060302 /nfs/dbraw/zinc/06/03/02/228060302.db2.gz KPGBENGUFXCSNV-OLZOCXBDSA-N 1 2 274.368 2.058 20 30 CEEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)NC1CC(F)(F)C1 ZINC000330235275 228074825 /nfs/dbraw/zinc/07/48/25/228074825.db2.gz GVEPCAASQWHFGU-SECBINFHSA-N 1 2 284.310 2.062 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000332010884 228143522 /nfs/dbraw/zinc/14/35/22/228143522.db2.gz XZFPHHVJPOOQSR-YGRLFVJLSA-N 1 2 276.311 2.474 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667250457 419598748 /nfs/dbraw/zinc/59/87/48/419598748.db2.gz OUXWWRPUGNNTQT-VXGBXAGGSA-N 1 2 262.357 2.231 20 30 CEEDLO CCCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000085261513 260372315 /nfs/dbraw/zinc/37/23/15/260372315.db2.gz CVLOWEZFLRPMIG-UHFFFAOYSA-N 1 2 287.367 2.321 20 30 CEEDLO C=CCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000448392311 261140540 /nfs/dbraw/zinc/14/05/40/261140540.db2.gz WPRMNGZBFKUNMI-AWEZNQCLSA-N 1 2 290.411 2.350 20 30 CEEDLO C#CC[N@@H+](CC)Cc1csc(CC(=O)OC(C)C)n1 ZINC000490739048 261195537 /nfs/dbraw/zinc/19/55/37/261195537.db2.gz AWPJTZSSUYZJED-UHFFFAOYSA-N 1 2 280.393 2.092 20 30 CEEDLO C#CC[N@H+](CC)Cc1csc(CC(=O)OC(C)C)n1 ZINC000490739048 261195539 /nfs/dbraw/zinc/19/55/39/261195539.db2.gz AWPJTZSSUYZJED-UHFFFAOYSA-N 1 2 280.393 2.092 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC000248877399 261207429 /nfs/dbraw/zinc/20/74/29/261207429.db2.gz OFTSIHFATOFJFF-FGTMMUONSA-N 1 2 285.387 2.306 20 30 CEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC000248877399 261207430 /nfs/dbraw/zinc/20/74/30/261207430.db2.gz OFTSIHFATOFJFF-FGTMMUONSA-N 1 2 285.387 2.306 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cc(OC)c(OC)c(OC)c1 ZINC000490897668 261241051 /nfs/dbraw/zinc/24/10/51/261241051.db2.gz DNQFMQIDJHIRKW-UHFFFAOYSA-N 1 2 287.359 2.171 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cc(OC)c(OC)c(OC)c1 ZINC000490897668 261241052 /nfs/dbraw/zinc/24/10/52/261241052.db2.gz 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/nfs/dbraw/zinc/47/75/76/634477576.db2.gz TZVPBQNZDYATLY-UHFFFAOYSA-N 1 2 270.336 2.219 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCCC2 ZINC001018144447 627375476 /nfs/dbraw/zinc/37/54/76/627375476.db2.gz QNVXLBQLYCPDQL-XHSDSOJGSA-N 1 2 286.419 2.265 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCCC2 ZINC001018144447 627375480 /nfs/dbraw/zinc/37/54/80/627375480.db2.gz QNVXLBQLYCPDQL-XHSDSOJGSA-N 1 2 286.419 2.265 20 30 CEEDLO COC(=O)c1coc(CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000171028078 627718853 /nfs/dbraw/zinc/71/88/53/627718853.db2.gz QBNZTUQYYRJHME-UHFFFAOYSA-N 1 2 288.303 2.098 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000281078357 627912643 /nfs/dbraw/zinc/91/26/43/627912643.db2.gz DYTSKJDEXKPJSC-LLVKDONJSA-N 1 2 284.319 2.272 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000281078357 627912644 /nfs/dbraw/zinc/91/26/44/627912644.db2.gz DYTSKJDEXKPJSC-LLVKDONJSA-N 1 2 284.319 2.272 20 30 CEEDLO CC[C@@H]([NH2+]CC(C)(C)CO)c1cccc(C#N)c1O ZINC000925571862 628246758 /nfs/dbraw/zinc/24/67/58/628246758.db2.gz JYLHKTBJZSKBRW-CYBMUJFWSA-N 1 2 262.353 2.323 20 30 CEEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092399522 628281931 /nfs/dbraw/zinc/28/19/31/628281931.db2.gz SRHRJKYYHVZGBC-CYBMUJFWSA-N 1 2 290.363 2.362 20 30 CEEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092399522 628281933 /nfs/dbraw/zinc/28/19/33/628281933.db2.gz SRHRJKYYHVZGBC-CYBMUJFWSA-N 1 2 290.363 2.362 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001009837296 628700890 /nfs/dbraw/zinc/70/08/90/628700890.db2.gz BIGLWKKPICVJPS-KRWDZBQOSA-N 1 2 297.402 2.439 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001009837296 628700893 /nfs/dbraw/zinc/70/08/93/628700893.db2.gz BIGLWKKPICVJPS-KRWDZBQOSA-N 1 2 297.402 2.439 20 30 CEEDLO C=CCCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893574321 628752391 /nfs/dbraw/zinc/75/23/91/628752391.db2.gz WCJYNVXUWWFTNT-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C=CCCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893574321 628752392 /nfs/dbraw/zinc/75/23/92/628752392.db2.gz WCJYNVXUWWFTNT-LLVKDONJSA-N 1 2 250.346 2.038 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001010072016 628755973 /nfs/dbraw/zinc/75/59/73/628755973.db2.gz AIRCWBHHLYAGKY-CHWSQXEVSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001010072016 628755977 /nfs/dbraw/zinc/75/59/77/628755977.db2.gz AIRCWBHHLYAGKY-CHWSQXEVSA-N 1 2 268.788 2.286 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932162179 628981039 /nfs/dbraw/zinc/98/10/39/628981039.db2.gz PDUGTGKUSFPGRC-JKSUJKDBSA-N 1 2 288.391 2.279 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932162179 628981041 /nfs/dbraw/zinc/98/10/41/628981041.db2.gz PDUGTGKUSFPGRC-JKSUJKDBSA-N 1 2 288.391 2.279 20 30 CEEDLO C#Cc1cccc(CNc2cc(N[C@H](CC)CO)nc[nH+]2)c1 ZINC000894117279 629140074 /nfs/dbraw/zinc/14/00/74/629140074.db2.gz CMOAEYQTDAWNGE-OAHLLOKOSA-N 1 2 296.374 2.253 20 30 CEEDLO C#Cc1cccc(CNc2cc(N[C@H](CC)CO)[nH+]cn2)c1 ZINC000894117279 629140078 /nfs/dbraw/zinc/14/00/78/629140078.db2.gz CMOAEYQTDAWNGE-OAHLLOKOSA-N 1 2 296.374 2.253 20 30 CEEDLO Cc1nn(C)c(C)c1CC/[NH+]=C/c1ccccc1O ZINC000120544464 629178487 /nfs/dbraw/zinc/17/84/87/629178487.db2.gz FJVRCUJMZBWAFD-MHWRWJLKSA-N 1 2 257.337 2.404 20 30 CEEDLO C=CC[N@@H+](C)CN1Cc2cccc(Br)c2C1=O ZINC000795445022 629561693 /nfs/dbraw/zinc/56/16/93/629561693.db2.gz AHDUXWKGHAMHBD-UHFFFAOYSA-N 1 2 295.180 2.480 20 30 CEEDLO C=CC[N@H+](C)CN1Cc2cccc(Br)c2C1=O ZINC000795445022 629561700 /nfs/dbraw/zinc/56/17/00/629561700.db2.gz AHDUXWKGHAMHBD-UHFFFAOYSA-N 1 2 295.180 2.480 20 30 CEEDLO CCCCCCC[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806703 629651965 /nfs/dbraw/zinc/65/19/65/629651965.db2.gz ROSHVFBUUSPGGK-ZDUSSCGKSA-N 1 2 280.416 2.335 20 30 CEEDLO CCCCCCC[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806703 629651968 /nfs/dbraw/zinc/65/19/68/629651968.db2.gz ROSHVFBUUSPGGK-ZDUSSCGKSA-N 1 2 280.416 2.335 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1 ZINC000796639039 629953581 /nfs/dbraw/zinc/95/35/81/629953581.db2.gz LACJYNMKGWBPBZ-UHFFFAOYSA-N 1 2 272.392 2.427 20 30 CEEDLO C#CC[N@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1 ZINC000796639039 629953582 /nfs/dbraw/zinc/95/35/82/629953582.db2.gz LACJYNMKGWBPBZ-UHFFFAOYSA-N 1 2 272.392 2.427 20 30 CEEDLO C=C(C)C[C@@H](NCc1c[nH+]cn1C(C)C)C(=O)OCC ZINC000895592395 630269071 /nfs/dbraw/zinc/26/90/71/630269071.db2.gz NXJJMUKCHDJRMX-CQSZACIVSA-N 1 2 279.384 2.452 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccnn2C2CCC2)C[C@H](C)N1CC#N ZINC000895969286 630422726 /nfs/dbraw/zinc/42/27/26/630422726.db2.gz KILKMPQEVDUGIM-KBPBESRZSA-N 1 2 287.411 2.026 20 30 CEEDLO C[C@]1(Br)C[C@@H]1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896502297 630583410 /nfs/dbraw/zinc/58/34/10/630583410.db2.gz WPKJHOTUNRHMCV-MXWKQRLJSA-N 1 2 257.175 2.395 20 30 CEEDLO C[C@]1(Br)C[C@@H]1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896502297 630583412 /nfs/dbraw/zinc/58/34/12/630583412.db2.gz WPKJHOTUNRHMCV-MXWKQRLJSA-N 1 2 257.175 2.395 20 30 CEEDLO Cc1cccn2c(CN3CCC[C@H](C#N)C3)c[nH+]c12 ZINC000896504858 630585184 /nfs/dbraw/zinc/58/51/84/630585184.db2.gz VUUOZOMCEBJJFG-CYBMUJFWSA-N 1 2 254.337 2.378 20 30 CEEDLO COCCOc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896506268 630585611 /nfs/dbraw/zinc/58/56/11/630585611.db2.gz UBFFZHPELBDDGA-HNNXBMFYSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896506268 630585616 /nfs/dbraw/zinc/58/56/16/630585616.db2.gz UBFFZHPELBDDGA-HNNXBMFYSA-N 1 2 274.364 2.447 20 30 CEEDLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n1 ZINC000896650997 630624905 /nfs/dbraw/zinc/62/49/05/630624905.db2.gz OSJBNLLKXBYXSV-CQSZACIVSA-N 1 2 296.378 2.061 20 30 CEEDLO Cc1c[nH]c(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n1 ZINC000896650997 630624906 /nfs/dbraw/zinc/62/49/06/630624906.db2.gz OSJBNLLKXBYXSV-CQSZACIVSA-N 1 2 296.378 2.061 20 30 CEEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccon3)C2)nc1 ZINC000896655063 630627130 /nfs/dbraw/zinc/62/71/30/630627130.db2.gz UHYYRNYGWDLEFA-ZDUSSCGKSA-N 1 2 283.335 2.018 20 30 CEEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccon3)C2)nc1 ZINC000896655063 630627134 /nfs/dbraw/zinc/62/71/34/630627134.db2.gz UHYYRNYGWDLEFA-ZDUSSCGKSA-N 1 2 283.335 2.018 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)c([N+](=O)[O-])c1)C2 ZINC000896654524 630627248 /nfs/dbraw/zinc/62/72/48/630627248.db2.gz NIVWUOSALNUTJK-UHFFFAOYSA-N 1 2 297.318 2.246 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1cc(C)nc(C#N)c1)C2 ZINC000896654480 630627288 /nfs/dbraw/zinc/62/72/88/630627288.db2.gz MAWWKTUQGHQUHZ-UHFFFAOYSA-N 1 2 267.336 2.041 20 30 CEEDLO C#Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000897048490 630902156 /nfs/dbraw/zinc/90/21/56/630902156.db2.gz NXDAEPXGGTXRAV-UHFFFAOYSA-N 1 2 267.332 2.027 20 30 CEEDLO CN(CCO)c1ccc([NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000799725505 631070842 /nfs/dbraw/zinc/07/08/42/631070842.db2.gz XBWARDNEJZAWNM-JSGCOSHPSA-N 1 2 259.353 2.219 20 30 CEEDLO Cc1cnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC000800411425 631120860 /nfs/dbraw/zinc/12/08/60/631120860.db2.gz JKJVMXIVSPBVEN-UHFFFAOYSA-N 1 2 293.374 2.237 20 30 CEEDLO C=CCCCN(CC)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000897399243 631305850 /nfs/dbraw/zinc/30/58/50/631305850.db2.gz FITAENPHNTVWHA-GFCCVEGCSA-N 1 2 264.373 2.062 20 30 CEEDLO C=CCCCN(CC)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000897399243 631305858 /nfs/dbraw/zinc/30/58/58/631305858.db2.gz FITAENPHNTVWHA-GFCCVEGCSA-N 1 2 264.373 2.062 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cncc(C)c2)c1 ZINC000189794623 631324829 /nfs/dbraw/zinc/32/48/29/631324829.db2.gz AGWRJYKFDYJVSX-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cncc(C)c2)c1 ZINC000189794623 631324836 /nfs/dbraw/zinc/32/48/36/631324836.db2.gz AGWRJYKFDYJVSX-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000839949863 631371954 /nfs/dbraw/zinc/37/19/54/631371954.db2.gz KKJYQBRRTZIBSF-LLVKDONJSA-N 1 2 291.317 2.142 20 30 CEEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000839949863 631371957 /nfs/dbraw/zinc/37/19/57/631371957.db2.gz KKJYQBRRTZIBSF-LLVKDONJSA-N 1 2 291.317 2.142 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)OCCCc1[nH+]ccn1C ZINC000802790235 631460899 /nfs/dbraw/zinc/46/08/99/631460899.db2.gz YCKDFWGRXILYJN-GFCCVEGCSA-N 1 2 250.342 2.498 20 30 CEEDLO C[C@@H](CC#N)N[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863103551 631467394 /nfs/dbraw/zinc/46/73/94/631467394.db2.gz CMCCUPVJWOGYGB-VIFPVBQESA-N 1 2 266.295 2.256 20 30 CEEDLO C#Cc1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cc1 ZINC000809652914 632122638 /nfs/dbraw/zinc/12/26/38/632122638.db2.gz PQTOATLWKRMAIB-STQMWFEESA-N 1 2 261.390 2.009 20 30 CEEDLO C#CCO[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000812234739 632496459 /nfs/dbraw/zinc/49/64/59/632496459.db2.gz SVCXZTDWJMFQBU-UHFFFAOYSA-N 1 2 278.739 2.160 20 30 CEEDLO CC1(C)CC(=[NH+]NCC(F)F)c2cc(N)ccc2O1 ZINC000814853733 632908568 /nfs/dbraw/zinc/90/85/68/632908568.db2.gz VKTKUJCMDKHUAP-UHFFFAOYSA-N 1 2 269.295 2.389 20 30 CEEDLO Cn1c2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2oc1=O ZINC000816567924 633414488 /nfs/dbraw/zinc/41/44/88/633414488.db2.gz PMBHNIGHRAIMEL-INIZCTEOSA-N 1 2 285.347 2.257 20 30 CEEDLO Cn1c2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2oc1=O ZINC000816567924 633414489 /nfs/dbraw/zinc/41/44/89/633414489.db2.gz PMBHNIGHRAIMEL-INIZCTEOSA-N 1 2 285.347 2.257 20 30 CEEDLO C#CCN(C(=O)CNc1cccc[nH+]1)C1CCCCC1 ZINC000900411655 633708472 /nfs/dbraw/zinc/70/84/72/633708472.db2.gz CJYUFNRYBFGKQT-UHFFFAOYSA-N 1 2 271.364 2.288 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)CNc1cccc[nH+]1 ZINC000900425610 633716303 /nfs/dbraw/zinc/71/63/03/633716303.db2.gz SUILOCDTFHPSFB-UHFFFAOYSA-N 1 2 273.258 2.070 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900904915 633884722 /nfs/dbraw/zinc/88/47/22/633884722.db2.gz NRONIRFCONOKFL-HZPDHXFCSA-N 1 2 294.358 2.251 20 30 CEEDLO C#CCCOc1ccc(C[NH2+]Cc2nn(CC)nc2C)cc1 ZINC000818222063 633887481 /nfs/dbraw/zinc/88/74/81/633887481.db2.gz VMNQSTXXTLKVSC-UHFFFAOYSA-N 1 2 298.390 2.298 20 30 CEEDLO C(=NNCCCn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000901261910 634026221 /nfs/dbraw/zinc/02/62/21/634026221.db2.gz QSTMMSCPKAHURH-UHFFFAOYSA-N 1 2 284.363 2.222 20 30 CEEDLO C[C@H]1CC(NN=Cc2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000901308300 634035283 /nfs/dbraw/zinc/03/52/83/634035283.db2.gz RHJMPUKAAQXNHC-RYUDHWBXSA-N 1 2 272.352 2.214 20 30 CEEDLO CC#CC[NH2+]Cc1cc(C(=O)Nc2ccc(C)cc2)no1 ZINC000901393767 634087953 /nfs/dbraw/zinc/08/79/53/634087953.db2.gz CMPPGOKTFUHDAI-UHFFFAOYSA-N 1 2 283.331 2.348 20 30 CEEDLO COc1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)on1 ZINC000901512535 634169324 /nfs/dbraw/zinc/16/93/24/634169324.db2.gz NEYIXCDYYHGMFG-SNAWJCMRSA-N 1 2 293.348 2.097 20 30 CEEDLO C=C(Cl)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000820115963 634335363 /nfs/dbraw/zinc/33/53/63/634335363.db2.gz NLMBCEOJGYTWRE-NSHDSACASA-N 1 2 255.749 2.339 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902887407 634879690 /nfs/dbraw/zinc/87/96/90/634879690.db2.gz ILZWQGUGWQIIRY-JSGCOSHPSA-N 1 2 254.337 2.230 20 30 CEEDLO CCCn1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)nn1 ZINC000902991957 634921109 /nfs/dbraw/zinc/92/11/09/634921109.db2.gz BPZBHTHVTMDZLZ-LBPRGKRZSA-N 1 2 299.378 2.419 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cc(C)nc(Cl)c2)nn1 ZINC000822494038 634931056 /nfs/dbraw/zinc/93/10/56/634931056.db2.gz DYYFDQSXISVYBO-UHFFFAOYSA-N 1 2 277.759 2.111 20 30 CEEDLO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C#N)c1O ZINC000903410244 635104620 /nfs/dbraw/zinc/10/46/20/635104620.db2.gz FKSKNOQFHHZMJQ-HZMBPMFUSA-N 1 2 260.337 2.075 20 30 CEEDLO CCCCCCN(O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000904205615 635513828 /nfs/dbraw/zinc/51/38/28/635513828.db2.gz PRALMTKEOUKMGA-GFCCVEGCSA-N 1 2 265.357 2.244 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000824862136 635514482 /nfs/dbraw/zinc/51/44/82/635514482.db2.gz WIEUFBSWTHYFQB-NEPJUHHUSA-N 1 2 253.729 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Cc1nc(Cl)cc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853311294 643735926 /nfs/dbraw/zinc/73/59/26/643735926.db2.gz RPQLGIGFRJTPTE-UHFFFAOYSA-N 1 2 276.731 2.027 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCC1(CO)CC1 ZINC000853399476 643763781 /nfs/dbraw/zinc/76/37/81/643763781.db2.gz QMJOVSMIWONIKY-UHFFFAOYSA-N 1 2 260.337 2.058 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1C1CC1)[C@H](C)COC ZINC000853534134 643804358 /nfs/dbraw/zinc/80/43/58/643804358.db2.gz GYMKKWGDGGHZBT-OCCSQVGLSA-N 1 2 280.412 2.114 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1C1CC1)[C@H](C)COC ZINC000853534134 643804363 /nfs/dbraw/zinc/80/43/63/643804363.db2.gz GYMKKWGDGGHZBT-OCCSQVGLSA-N 1 2 280.412 2.114 20 30 CEEDLO C=CC[N@H+](CN1C[C@@H](CC(C)C)CC1=O)[C@@H](C)COC ZINC000853532928 643805185 /nfs/dbraw/zinc/80/51/85/643805185.db2.gz PUNGFFDMNAPCAC-GJZGRUSLSA-N 1 2 282.428 2.361 20 30 CEEDLO C=CC[N@@H+](CN1C[C@@H](CC(C)C)CC1=O)[C@@H](C)COC ZINC000853532928 643805189 /nfs/dbraw/zinc/80/51/89/643805189.db2.gz PUNGFFDMNAPCAC-GJZGRUSLSA-N 1 2 282.428 2.361 20 30 CEEDLO C=CC[N@@H+](CN1C[C@](C)(CC)CC1=O)[C@@H](C)COC ZINC000853535434 643806134 /nfs/dbraw/zinc/80/61/34/643806134.db2.gz VNNJDPXVLAMSBJ-DZGCQCFKSA-N 1 2 268.401 2.115 20 30 CEEDLO C=CC[N@H+](CN1C[C@](C)(CC)CC1=O)[C@@H](C)COC ZINC000853535434 643806141 /nfs/dbraw/zinc/80/61/41/643806141.db2.gz VNNJDPXVLAMSBJ-DZGCQCFKSA-N 1 2 268.401 2.115 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn(C)c1=S ZINC000853597747 643829328 /nfs/dbraw/zinc/82/93/28/643829328.db2.gz FBCGMIZCEQYSIK-PHIMTYICSA-N 1 2 250.371 2.092 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn(C)c1=S ZINC000853597747 643829333 /nfs/dbraw/zinc/82/93/33/643829333.db2.gz FBCGMIZCEQYSIK-PHIMTYICSA-N 1 2 250.371 2.092 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CO[C@@H](C)C1 ZINC000853710566 643872693 /nfs/dbraw/zinc/87/26/93/643872693.db2.gz ULBXMQJUWIOKRN-QWHCGFSZSA-N 1 2 260.337 2.463 20 30 CEEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC2(F)CC2)CC1 ZINC000877747061 650892672 /nfs/dbraw/zinc/89/26/72/650892672.db2.gz UIKMFFSAXWIKGS-UHFFFAOYSA-N 1 2 277.318 2.321 20 30 CEEDLO C#CC[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OC ZINC000839169075 644178140 /nfs/dbraw/zinc/17/81/40/644178140.db2.gz QELQODSWICQPEN-AVVWSFFYSA-N 1 2 293.407 2.411 20 30 CEEDLO C#CC[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000839170069 644178991 /nfs/dbraw/zinc/17/89/91/644178991.db2.gz VYFIKLQKLXVSIG-CMPLNLGQSA-N 1 2 273.323 2.355 20 30 CEEDLO C#CC[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000839170046 644179276 /nfs/dbraw/zinc/17/92/76/644179276.db2.gz WXNWGNYJIIWICQ-STQMWFEESA-N 1 2 251.370 2.357 20 30 CEEDLO C#CC[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000839170040 644179690 /nfs/dbraw/zinc/17/96/90/644179690.db2.gz WXNWGNYJIIWICQ-CHWSQXEVSA-N 1 2 251.370 2.357 20 30 CEEDLO Cc1nc(NCc2cccc(C(=O)O[C@H](C)C#N)c2)cc[nH+]1 ZINC000754951453 644453081 /nfs/dbraw/zinc/45/30/81/644453081.db2.gz NEVGEUOMTHLGAH-LLVKDONJSA-N 1 2 296.330 2.466 20 30 CEEDLO Cn1c[nH+]cc1CN=Nc1nccc2sccc21 ZINC000755650833 644540346 /nfs/dbraw/zinc/54/03/46/644540346.db2.gz NXAKJFIWFORADU-UHFFFAOYSA-N 1 2 257.322 2.476 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000757196161 644740606 /nfs/dbraw/zinc/74/06/06/644740606.db2.gz RICSXAXVCVZTMF-JTQLQIEISA-N 1 2 263.341 2.081 20 30 CEEDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)[nH]1 ZINC000839660642 644766832 /nfs/dbraw/zinc/76/68/32/644766832.db2.gz WVEZOWJCFSTOKG-AWEZNQCLSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)[nH]1 ZINC000839660642 644766838 /nfs/dbraw/zinc/76/68/38/644766838.db2.gz WVEZOWJCFSTOKG-AWEZNQCLSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC000839660642 644766841 /nfs/dbraw/zinc/76/68/41/644766841.db2.gz WVEZOWJCFSTOKG-AWEZNQCLSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC000839660642 644766846 /nfs/dbraw/zinc/76/68/46/644766846.db2.gz WVEZOWJCFSTOKG-AWEZNQCLSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n[nH]1 ZINC000839660642 644766850 /nfs/dbraw/zinc/76/68/50/644766850.db2.gz WVEZOWJCFSTOKG-AWEZNQCLSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n[nH]1 ZINC000839660642 644766855 /nfs/dbraw/zinc/76/68/55/644766855.db2.gz WVEZOWJCFSTOKG-AWEZNQCLSA-N 1 2 297.362 2.005 20 30 CEEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1=O ZINC000758218807 644902116 /nfs/dbraw/zinc/90/21/16/644902116.db2.gz DKOXUACTFLNZJB-OAHLLOKOSA-N 1 2 297.333 2.306 20 30 CEEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1=O ZINC000758218807 644902118 /nfs/dbraw/zinc/90/21/18/644902118.db2.gz DKOXUACTFLNZJB-OAHLLOKOSA-N 1 2 297.333 2.306 20 30 CEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)OC ZINC000758812229 644959688 /nfs/dbraw/zinc/95/96/88/644959688.db2.gz JPUZXAXXWQZBBP-CQSZACIVSA-N 1 2 290.363 2.129 20 30 CEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(C)(C)OC ZINC000758812229 644959690 /nfs/dbraw/zinc/95/96/90/644959690.db2.gz JPUZXAXXWQZBBP-CQSZACIVSA-N 1 2 290.363 2.129 20 30 CEEDLO C#CCCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857977247 645029246 /nfs/dbraw/zinc/02/92/46/645029246.db2.gz TUEJAZNBVYSXPV-HNNXBMFYSA-N 1 2 295.342 2.160 20 30 CEEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000760000707 645102342 /nfs/dbraw/zinc/10/23/42/645102342.db2.gz WUUOIOGONJYLIJ-UHFFFAOYSA-N 1 2 289.217 2.133 20 30 CEEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000760000707 645102343 /nfs/dbraw/zinc/10/23/43/645102343.db2.gz WUUOIOGONJYLIJ-UHFFFAOYSA-N 1 2 289.217 2.133 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cncc(Br)c1 ZINC000790301900 645219397 /nfs/dbraw/zinc/21/93/97/645219397.db2.gz KKIRPDNBVVBCDJ-UHFFFAOYSA-N 1 2 280.129 2.024 20 30 CEEDLO C#CC[C@@H](COC)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000858861075 645274610 /nfs/dbraw/zinc/27/46/10/645274610.db2.gz RRGMQZZCPVXDLJ-LBPRGKRZSA-N 1 2 284.363 2.146 20 30 CEEDLO Cc1ccn(C[N@@H+]2CCc3cccc(C)c3C2)c(=O)c1C#N ZINC000762086928 645363048 /nfs/dbraw/zinc/36/30/48/645363048.db2.gz KDBDNOKKJNWQSS-UHFFFAOYSA-N 1 2 293.370 2.353 20 30 CEEDLO Cc1ccn(C[N@H+]2CCc3cccc(C)c3C2)c(=O)c1C#N ZINC000762086928 645363050 /nfs/dbraw/zinc/36/30/50/645363050.db2.gz KDBDNOKKJNWQSS-UHFFFAOYSA-N 1 2 293.370 2.353 20 30 CEEDLO N#Cc1cccc(C2([NH2+]Cc3cnns3)CC2)c1 ZINC000859234591 645432869 /nfs/dbraw/zinc/43/28/69/645432869.db2.gz VZGLSKVULNNENQ-UHFFFAOYSA-N 1 2 256.334 2.189 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000859589187 645529006 /nfs/dbraw/zinc/52/90/06/645529006.db2.gz PAGCGUCBINOEGI-MRXNPFEDSA-N 1 2 299.399 2.498 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000859589187 645529010 /nfs/dbraw/zinc/52/90/10/645529010.db2.gz PAGCGUCBINOEGI-MRXNPFEDSA-N 1 2 299.399 2.498 20 30 CEEDLO Cc1cnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000860106401 645701741 /nfs/dbraw/zinc/70/17/41/645701741.db2.gz IFYNMVPPJRBBPT-UHFFFAOYSA-N 1 2 278.359 2.409 20 30 CEEDLO Cc1cnc(C[N@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000860106401 645701744 /nfs/dbraw/zinc/70/17/44/645701744.db2.gz IFYNMVPPJRBBPT-UHFFFAOYSA-N 1 2 278.359 2.409 20 30 CEEDLO CC1(C)CCCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C#N ZINC000765125491 645735773 /nfs/dbraw/zinc/73/57/73/645735773.db2.gz BOOFHTUGABOPJN-CYBMUJFWSA-N 1 2 282.347 2.489 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767875662 646049383 /nfs/dbraw/zinc/04/93/83/646049383.db2.gz XBZGDRCSTPXPSK-KBPBESRZSA-N 1 2 288.395 2.111 20 30 CEEDLO C#C[C@@H](CC)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000768056078 646077609 /nfs/dbraw/zinc/07/76/09/646077609.db2.gz LXKCQBZJVPMWQZ-LBPRGKRZSA-N 1 2 299.286 2.349 20 30 CEEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(O)c(Cl)c1 ZINC000768764426 646160769 /nfs/dbraw/zinc/16/07/69/646160769.db2.gz SQYCAVMXDHYYGR-UHFFFAOYSA-N 1 2 267.760 2.017 20 30 CEEDLO NC(=[NH+]OCCCCCCO)c1ccc(F)cc1 ZINC000769375654 646254971 /nfs/dbraw/zinc/25/49/71/646254971.db2.gz AIWVHLJNOAPBER-UHFFFAOYSA-N 1 2 254.305 2.015 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccccc1OCCOC ZINC000769451744 646269228 /nfs/dbraw/zinc/26/92/28/646269228.db2.gz MSOMKLMLMWYDJC-UHFFFAOYSA-N 1 2 271.360 2.170 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1OCCOC ZINC000769451744 646269231 /nfs/dbraw/zinc/26/92/31/646269231.db2.gz MSOMKLMLMWYDJC-UHFFFAOYSA-N 1 2 271.360 2.170 20 30 CEEDLO CN(C)c1cc(F)c(C=[NH+]NC2CCOCC2)cc1F ZINC000863100673 646634462 /nfs/dbraw/zinc/63/44/62/646634462.db2.gz ZQBXDNCEYVFIFE-UHFFFAOYSA-N 1 2 283.322 2.133 20 30 CEEDLO c1cn(CCCNN=C2CCCc3scnc32)c[nH+]1 ZINC000863126950 646647932 /nfs/dbraw/zinc/64/79/32/646647932.db2.gz QSVJXTYHXAPILO-UHFFFAOYSA-N 1 2 275.381 2.060 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000119620651 646806098 /nfs/dbraw/zinc/80/60/98/646806098.db2.gz CKUGNRCHONQNFI-OAHLLOKOSA-N 1 2 257.333 2.218 20 30 CEEDLO CC#CC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000119620651 646806102 /nfs/dbraw/zinc/80/61/02/646806102.db2.gz CKUGNRCHONQNFI-OAHLLOKOSA-N 1 2 257.333 2.218 20 30 CEEDLO N#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1C#N ZINC000776937096 647098596 /nfs/dbraw/zinc/09/85/96/647098596.db2.gz AJFWUNLUTOWYLJ-UHFFFAOYSA-N 1 2 287.282 2.330 20 30 CEEDLO N#Cc1ccc2[nH]c(NCc3cc4n(n3)CCC4)[nH+]c2c1 ZINC000865295181 647235334 /nfs/dbraw/zinc/23/53/34/647235334.db2.gz BDPAMXDDKSSJIR-UHFFFAOYSA-N 1 2 278.319 2.189 20 30 CEEDLO C=C(Cl)C[C@@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000865311513 647240057 /nfs/dbraw/zinc/24/00/57/647240057.db2.gz HEPRJCXVWXSICP-LBPRGKRZSA-N 1 2 293.754 2.261 20 30 CEEDLO C=CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)C ZINC000778703505 647255464 /nfs/dbraw/zinc/25/54/64/647255464.db2.gz GSKBVOZOXQTFEJ-UHFFFAOYSA-N 1 2 270.336 2.304 20 30 CEEDLO C(=NN[C@@H]1CCCOC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000780257672 647406453 /nfs/dbraw/zinc/40/64/53/647406453.db2.gz KKXLIXOUWXFKPZ-LLVKDONJSA-N 1 2 276.365 2.036 20 30 CEEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccnc(F)c2)cc1 ZINC000781133865 647502275 /nfs/dbraw/zinc/50/22/75/647502275.db2.gz JSKPGHQXTVSZGF-UHFFFAOYSA-N 1 2 288.326 2.095 20 30 CEEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927680 647539347 /nfs/dbraw/zinc/53/93/47/647539347.db2.gz FOXHXVSFKBSJIN-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927680 647539350 /nfs/dbraw/zinc/53/93/50/647539350.db2.gz FOXHXVSFKBSJIN-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO NC(=[NH+]OCCOCC1CC1)c1ccc(Cl)cc1 ZINC000782315614 647612565 /nfs/dbraw/zinc/61/25/65/647612565.db2.gz ZTLDQSLZDHZRDY-UHFFFAOYSA-N 1 2 268.744 2.404 20 30 CEEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947632 647664802 /nfs/dbraw/zinc/66/48/02/647664802.db2.gz DWSPLMLUWHYMLE-MRVPVSSYSA-N 1 2 287.157 2.121 20 30 CEEDLO NC(=[NH+]OC[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000782950076 647665127 /nfs/dbraw/zinc/66/51/27/647665127.db2.gz RFIQLKFYFDKJKM-SECBINFHSA-N 1 2 299.168 2.123 20 30 CEEDLO CCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214947 647675484 /nfs/dbraw/zinc/67/54/84/647675484.db2.gz FSDWSOOWYUXLIX-OCCSQVGLSA-N 1 2 273.380 2.399 20 30 CEEDLO CCN(CC)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866215178 647675682 /nfs/dbraw/zinc/67/56/82/647675682.db2.gz VCKUBZBYAPMBMI-GFCCVEGCSA-N 1 2 261.369 2.256 20 30 CEEDLO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(C#N)c1O ZINC000866239102 647687932 /nfs/dbraw/zinc/68/79/32/647687932.db2.gz QAVQFRIYEJRQJS-XHDPSFHLSA-N 1 2 273.380 2.255 20 30 CEEDLO COCCOCCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866251193 647696307 /nfs/dbraw/zinc/69/63/07/647696307.db2.gz JUOWOKRZTRWUJK-CYBMUJFWSA-N 1 2 292.379 2.358 20 30 CEEDLO CC(C)N(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866253174 647697461 /nfs/dbraw/zinc/69/74/61/647697461.db2.gz FUCGDTWOQBANGJ-LBPRGKRZSA-N 1 2 261.369 2.255 20 30 CEEDLO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866265958 647705247 /nfs/dbraw/zinc/70/52/47/647705247.db2.gz WBIXEXGDRBWZBA-XHDPSFHLSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(C#N)c1O ZINC000866266310 647705255 /nfs/dbraw/zinc/70/52/55/647705255.db2.gz YXJNRVQUJLZPCU-XHDPSFHLSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866272039 647709821 /nfs/dbraw/zinc/70/98/21/647709821.db2.gz ISMPEZUPBVIQOI-OBJOEFQTSA-N 1 2 274.364 2.466 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)[nH]1 ZINC000866313277 647731946 /nfs/dbraw/zinc/73/19/46/647731946.db2.gz YPZKGEDDWPQKGG-VHSXEESVSA-N 1 2 285.351 2.356 20 30 CEEDLO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc(C#N)c1O ZINC000866342400 647745931 /nfs/dbraw/zinc/74/59/31/647745931.db2.gz FYODFBIIOGCOHZ-ZWKOPEQDSA-N 1 2 260.337 2.074 20 30 CEEDLO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(C#N)c1O ZINC000866350497 647750027 /nfs/dbraw/zinc/75/00/27/647750027.db2.gz CVJPEWXSSQFSFB-BXUZGUMPSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(C#N)c1O ZINC000866350498 647750597 /nfs/dbraw/zinc/75/05/97/647750597.db2.gz CVJPEWXSSQFSFB-FZMZJTMJSA-N 1 2 274.364 2.466 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](c2ccccn2)C(C)C)nn1 ZINC000866379038 647764717 /nfs/dbraw/zinc/76/47/17/647764717.db2.gz GNVIJAZLTANEHD-OAHLLOKOSA-N 1 2 271.368 2.346 20 30 CEEDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cccc(C#N)c1O ZINC000866387145 647768244 /nfs/dbraw/zinc/76/82/44/647768244.db2.gz OURRACUFFJSMLY-OUJBWJOFSA-N 1 2 283.335 2.212 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(C#N)c1O ZINC000866638789 647851671 /nfs/dbraw/zinc/85/16/71/647851671.db2.gz KWGHCCJWPYRVLB-HONMWMINSA-N 1 2 260.337 2.218 20 30 CEEDLO N#Cc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC000786080903 647982561 /nfs/dbraw/zinc/98/25/61/647982561.db2.gz JAXPTVJMKSQTDV-UHFFFAOYSA-N 1 2 292.298 2.429 20 30 CEEDLO C#CCC1(C(=O)NCCc2c[nH+]cn2C)CCCCC1 ZINC000788525602 648199571 /nfs/dbraw/zinc/19/95/71/648199571.db2.gz BFKXWJBFNPIXNF-UHFFFAOYSA-N 1 2 273.380 2.053 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869225451 648379543 /nfs/dbraw/zinc/37/95/43/648379543.db2.gz KZBMUJYXLRLYHN-FYUFSVPTSA-N 1 2 292.423 2.126 20 30 CEEDLO C[C@H](Oc1ccccc1C#N)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791692179 648556582 /nfs/dbraw/zinc/55/65/82/648556582.db2.gz WANHJMNFEHOGEH-NSHDSACASA-N 1 2 297.314 2.046 20 30 CEEDLO C#C[C@H](CCC)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000791740208 648560837 /nfs/dbraw/zinc/56/08/37/648560837.db2.gz OBUQDAUYUYWEHP-CVEARBPZSA-N 1 2 294.439 2.042 20 30 CEEDLO CCOC(CO[NH+]=C(N)c1ccc(Cl)cc1)OCC ZINC000792730436 648669514 /nfs/dbraw/zinc/66/95/14/648669514.db2.gz QBUZAXLRZMUBOT-UHFFFAOYSA-N 1 2 286.759 2.376 20 30 CEEDLO O=C1C=C(NNc2cccc(Cl)[nH+]2)[C@H]2CCCCN12 ZINC000793163231 648715304 /nfs/dbraw/zinc/71/53/04/648715304.db2.gz ZYMUBXWEPZXDKY-SNVBAGLBSA-N 1 2 278.743 2.288 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000793258217 648732561 /nfs/dbraw/zinc/73/25/61/648732561.db2.gz KUWDKTQTBVXXGQ-UHFFFAOYSA-N 1 2 295.342 2.375 20 30 CEEDLO Cc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)ncn1 ZINC000793833974 648803821 /nfs/dbraw/zinc/80/38/21/648803821.db2.gz BIVOBXXSFBPGQY-UHFFFAOYSA-N 1 2 274.299 2.070 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(OC)c(C)cc1C ZINC000794364362 648858480 /nfs/dbraw/zinc/85/84/80/648858480.db2.gz TYOABGRWRGOYLT-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(OC)c(C)cc1C ZINC000794364362 648858483 /nfs/dbraw/zinc/85/84/83/648858483.db2.gz TYOABGRWRGOYLT-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO C=CCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870666572 648865899 /nfs/dbraw/zinc/86/58/99/648865899.db2.gz HNPFBQHXVSIOTF-UHFFFAOYSA-N 1 2 288.395 2.128 20 30 CEEDLO C[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794623836 648895384 /nfs/dbraw/zinc/89/53/84/648895384.db2.gz QFRRNBPBJXXPNB-NSHDSACASA-N 1 2 279.413 2.097 20 30 CEEDLO C[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794623836 648895387 /nfs/dbraw/zinc/89/53/87/648895387.db2.gz QFRRNBPBJXXPNB-NSHDSACASA-N 1 2 279.413 2.097 20 30 CEEDLO Cc1c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cnn1C ZINC000794715290 648906099 /nfs/dbraw/zinc/90/60/99/648906099.db2.gz XACXYNKSJXLLEP-AATRIKPKSA-N 1 2 290.392 2.143 20 30 CEEDLO C#C[C@H]1CC[C@H]([NH2+][C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000872139020 649289797 /nfs/dbraw/zinc/28/97/97/649289797.db2.gz CUDGIOABNFUEBI-QEJZJMRPSA-N 1 2 281.363 2.071 20 30 CEEDLO c1cn(CCCNN=C(C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000872387041 649376835 /nfs/dbraw/zinc/37/68/35/649376835.db2.gz DJJDIZWWHRJSML-CQSZACIVSA-N 1 2 276.384 2.198 20 30 CEEDLO c1cn(CCCNN=C(C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000872387040 649377095 /nfs/dbraw/zinc/37/70/95/649377095.db2.gz DJJDIZWWHRJSML-AWEZNQCLSA-N 1 2 276.384 2.198 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000879066049 651237561 /nfs/dbraw/zinc/23/75/61/651237561.db2.gz ZQAYQNCXTMYHDG-INIZCTEOSA-N 1 2 284.359 2.228 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000879066049 651237563 /nfs/dbraw/zinc/23/75/63/651237563.db2.gz ZQAYQNCXTMYHDG-INIZCTEOSA-N 1 2 284.359 2.228 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ncncc2C1 ZINC000880597662 651468366 /nfs/dbraw/zinc/46/83/66/651468366.db2.gz ARNMDGOGHLLFNQ-LBPRGKRZSA-N 1 2 264.332 2.468 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ncncc2C1 ZINC000880597662 651468367 /nfs/dbraw/zinc/46/83/67/651468367.db2.gz ARNMDGOGHLLFNQ-LBPRGKRZSA-N 1 2 264.332 2.468 20 30 CEEDLO N#CCCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888906773 652013976 /nfs/dbraw/zinc/01/39/76/652013976.db2.gz BFNZUKUFIIXIEQ-JOCQHMNTSA-N 1 2 287.367 2.018 20 30 CEEDLO C#CCC1(O)CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000882969956 652295380 /nfs/dbraw/zinc/29/53/80/652295380.db2.gz KTXMSJNEXOVWAK-UHFFFAOYSA-N 1 2 285.391 2.018 20 30 CEEDLO COCc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)no1 ZINC000882987328 652306906 /nfs/dbraw/zinc/30/69/06/652306906.db2.gz ZXNYJBRQHRHJHY-UHFFFAOYSA-N 1 2 287.319 2.013 20 30 CEEDLO C#CCC1(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CCCCC1 ZINC000800212854 652688772 /nfs/dbraw/zinc/68/87/72/652688772.db2.gz DCIXRKKHWHVFCP-HNNXBMFYSA-N 1 2 293.407 2.224 20 30 CEEDLO C#CCC1(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CCCCC1 ZINC000800212854 652688776 /nfs/dbraw/zinc/68/87/76/652688776.db2.gz DCIXRKKHWHVFCP-HNNXBMFYSA-N 1 2 293.407 2.224 20 30 CEEDLO C=CC[NH+]1CCN(c2ncc(Cl)cc2OC)CC1 ZINC001165033382 721864434 /nfs/dbraw/zinc/86/44/34/721864434.db2.gz LPCWXMNPWFQYOC-UHFFFAOYSA-N 1 2 267.760 2.052 20 30 CEEDLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029178326 805576423 /nfs/dbraw/zinc/57/64/23/805576423.db2.gz IXFMZACUXFTCDH-CALCHBBNSA-N 1 2 282.387 2.123 20 30 CEEDLO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029178326 805576429 /nfs/dbraw/zinc/57/64/29/805576429.db2.gz IXFMZACUXFTCDH-CALCHBBNSA-N 1 2 282.387 2.123 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)o1 ZINC001142612042 806758984 /nfs/dbraw/zinc/75/89/84/806758984.db2.gz WXNOJXSWFGTZCA-UHFFFAOYSA-N 1 2 296.326 2.496 20 30 CEEDLO COC(=O)c1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)o1 ZINC001142612042 806758987 /nfs/dbraw/zinc/75/89/87/806758987.db2.gz WXNOJXSWFGTZCA-UHFFFAOYSA-N 1 2 296.326 2.496 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038501277 806829773 /nfs/dbraw/zinc/82/97/73/806829773.db2.gz LXFXKIYJTBMVPD-LBPRGKRZSA-N 1 2 292.329 2.101 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038501277 806829781 /nfs/dbraw/zinc/82/97/81/806829781.db2.gz LXFXKIYJTBMVPD-LBPRGKRZSA-N 1 2 292.329 2.101 20 30 CEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(C)nc2)CC1 ZINC001139933295 802380281 /nfs/dbraw/zinc/38/02/81/802380281.db2.gz WFHNOYBAINCHTD-UHFFFAOYSA-N 1 2 287.363 2.059 20 30 CEEDLO N#CCc1cc[nH+]c(N2CC(c3cccnc3)C2)c1 ZINC001167067595 802381779 /nfs/dbraw/zinc/38/17/79/802381779.db2.gz KBYQTMQSDLGPBH-UHFFFAOYSA-N 1 2 250.305 2.146 20 30 CEEDLO CCc1noc([C@H]2CCCN(c3cc(CC#N)cc[nH+]3)C2)n1 ZINC001167144117 802533446 /nfs/dbraw/zinc/53/34/46/802533446.db2.gz SMLSMSMJPKDVCB-ZDUSSCGKSA-N 1 2 297.362 2.477 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[N@@H+](CCC)Cc1cnns1 ZINC001266568506 802725032 /nfs/dbraw/zinc/72/50/32/802725032.db2.gz NHZMGCHCDHTZPE-UHFFFAOYSA-N 1 2 296.440 2.079 20 30 CEEDLO C=CC(C)(C)C(=O)NCC[N@H+](CCC)Cc1cnns1 ZINC001266568506 802725036 /nfs/dbraw/zinc/72/50/36/802725036.db2.gz NHZMGCHCDHTZPE-UHFFFAOYSA-N 1 2 296.440 2.079 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721498667 803049813 /nfs/dbraw/zinc/04/98/13/803049813.db2.gz ARLKCCVZCTUMOG-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000721498667 803049818 /nfs/dbraw/zinc/04/98/18/803049818.db2.gz ARLKCCVZCTUMOG-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001038254036 803293494 /nfs/dbraw/zinc/29/34/94/803293494.db2.gz SGLTYJFPGYWHQJ-LLVKDONJSA-N 1 2 296.292 2.201 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(C(F)F)c1 ZINC001038254036 803293501 /nfs/dbraw/zinc/29/35/01/803293501.db2.gz SGLTYJFPGYWHQJ-LLVKDONJSA-N 1 2 296.292 2.201 20 30 CEEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001267270114 803315353 /nfs/dbraw/zinc/31/53/53/803315353.db2.gz SLBZQFYIJASNHP-HNNXBMFYSA-N 1 2 291.395 2.420 20 30 CEEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001267270114 803315355 /nfs/dbraw/zinc/31/53/55/803315355.db2.gz SLBZQFYIJASNHP-HNNXBMFYSA-N 1 2 291.395 2.420 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(Cl)nc1C ZINC001038304652 803509895 /nfs/dbraw/zinc/50/98/95/803509895.db2.gz ZUJFHXLHKRDFOP-SECBINFHSA-N 1 2 285.800 2.095 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc(Cl)nc1C ZINC001038304652 803509899 /nfs/dbraw/zinc/50/98/99/803509899.db2.gz ZUJFHXLHKRDFOP-SECBINFHSA-N 1 2 285.800 2.095 20 30 CEEDLO Cc1cccc(C#N)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005778 803531833 /nfs/dbraw/zinc/53/18/33/803531833.db2.gz HSAAWQVETGIZBA-NSHDSACASA-N 1 2 252.264 2.243 20 30 CEEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001267646334 803640337 /nfs/dbraw/zinc/64/03/37/803640337.db2.gz ALUYAORJFHRWRA-HNNXBMFYSA-N 1 2 292.423 2.126 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038367210 803743336 /nfs/dbraw/zinc/74/33/36/803743336.db2.gz NMOBZCSSULPTOP-LBPRGKRZSA-N 1 2 292.329 2.101 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038367210 803743342 /nfs/dbraw/zinc/74/33/42/803743342.db2.gz NMOBZCSSULPTOP-LBPRGKRZSA-N 1 2 292.329 2.101 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC001093565832 814964720 /nfs/dbraw/zinc/96/47/20/814964720.db2.gz DODOVAHBAGELIE-UHFFFAOYSA-N 1 2 294.439 2.300 20 30 CEEDLO CC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001027711963 804210114 /nfs/dbraw/zinc/21/01/14/804210114.db2.gz WFWCJRYBWWKVOS-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO CC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001027711963 804210124 /nfs/dbraw/zinc/21/01/24/804210124.db2.gz WFWCJRYBWWKVOS-OAHLLOKOSA-N 1 2 290.794 2.292 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001027796675 804263333 /nfs/dbraw/zinc/26/33/33/804263333.db2.gz MWCQQMSCIJNJHV-CYBMUJFWSA-N 1 2 268.788 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001027796675 804263341 /nfs/dbraw/zinc/26/33/41/804263341.db2.gz MWCQQMSCIJNJHV-CYBMUJFWSA-N 1 2 268.788 2.286 20 30 CEEDLO COC(=O)[C@H]1CC[C@H](Nc2[nH+]cccc2CC#N)CC1 ZINC001167822466 804375073 /nfs/dbraw/zinc/37/50/73/804375073.db2.gz USXXPLCUCLGVIY-JOCQHMNTSA-N 1 2 273.336 2.291 20 30 CEEDLO N#C[C@H]1CC[C@H]([NH2+]c2c[nH]c3cc(=O)[nH]c-3c2)CC1 ZINC001167844151 804456045 /nfs/dbraw/zinc/45/60/45/804456045.db2.gz KKYRBDDYFBFSDY-MGCOHNPYSA-N 1 2 256.309 2.070 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NC1C[NH+](CC2=CCCCC2)C1 ZINC001268256184 804579361 /nfs/dbraw/zinc/57/93/61/804579361.db2.gz AUPRGMGBJLKZRA-AWEZNQCLSA-N 1 2 292.423 2.268 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001268491762 804759860 /nfs/dbraw/zinc/75/98/60/804759860.db2.gz KSCIISGCLSXROV-MRXNPFEDSA-N 1 2 288.391 2.141 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059023473 804841412 /nfs/dbraw/zinc/84/14/12/804841412.db2.gz VFNVDJFRMLCLDJ-LBPRGKRZSA-N 1 2 274.368 2.010 20 30 CEEDLO C=CCC(CC=C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093896549 815043507 /nfs/dbraw/zinc/04/35/07/815043507.db2.gz VKDOBXOXWDPIJW-UHFFFAOYSA-N 1 2 274.368 2.082 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001269320891 805129054 /nfs/dbraw/zinc/12/90/54/805129054.db2.gz LAMCLCAZYKHYRU-RHSMWYFYSA-N 1 2 284.403 2.176 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001269320891 805129059 /nfs/dbraw/zinc/12/90/59/805129059.db2.gz LAMCLCAZYKHYRU-RHSMWYFYSA-N 1 2 284.403 2.176 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001269799701 805257140 /nfs/dbraw/zinc/25/71/40/805257140.db2.gz DDDMUKKBCJQWEU-OAHLLOKOSA-N 1 2 280.412 2.076 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001270691883 805529123 /nfs/dbraw/zinc/52/91/23/805529123.db2.gz MSSQZEDACQOJJL-HUUCEWRRSA-N 1 2 282.428 2.206 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001270691883 805529129 /nfs/dbraw/zinc/52/91/29/805529129.db2.gz 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/nfs/dbraw/zinc/58/36/93/807583693.db2.gz LYOMFBGIMXAMAE-UHFFFAOYSA-N 1 2 282.746 2.008 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001031110657 807658958 /nfs/dbraw/zinc/65/89/58/807658958.db2.gz PHRDQWOWZIWKIN-GFCCVEGCSA-N 1 2 276.380 2.376 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C)c2Cl)C1 ZINC001031123677 807670517 /nfs/dbraw/zinc/67/05/17/807670517.db2.gz FJXOXROFJIXFRA-UHFFFAOYSA-N 1 2 276.767 2.086 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001031125244 807672570 /nfs/dbraw/zinc/67/25/70/807672570.db2.gz IJZIOLRXXSYPNH-CQSZACIVSA-N 1 2 270.376 2.093 20 30 CEEDLO C#CCCCCC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106277197 807696630 /nfs/dbraw/zinc/69/66/30/807696630.db2.gz DYFFBOGQUWANRB-ZDUSSCGKSA-N 1 2 288.395 2.285 20 30 CEEDLO Cc1nc(NCC[C@H](C)NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001106302958 807714727 /nfs/dbraw/zinc/71/47/27/807714727.db2.gz INTQYQPZQQPYHA-LBPRGKRZSA-N 1 2 288.395 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001031190497 807741609 /nfs/dbraw/zinc/74/16/09/807741609.db2.gz CJZXDPKLGWYAQL-UHFFFAOYSA-N 1 2 288.366 2.234 20 30 CEEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)C#CC(C)(C)C ZINC001106751701 807846393 /nfs/dbraw/zinc/84/63/93/807846393.db2.gz HOHMWRCQIYGZSQ-UHFFFAOYSA-N 1 2 288.395 2.095 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2ccccc2)C1 ZINC001031281043 807865535 /nfs/dbraw/zinc/86/55/35/807865535.db2.gz FDMIBPDKSIEAKV-CYBMUJFWSA-N 1 2 258.365 2.167 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001031330658 807917608 /nfs/dbraw/zinc/91/76/08/807917608.db2.gz LDAUATPBSUNDJX-OAHLLOKOSA-N 1 2 290.794 2.356 20 30 CEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccoc2)C1 ZINC001031546280 807999469 /nfs/dbraw/zinc/99/94/69/807999469.db2.gz GSIDDWSQZDUWHW-UHFFFAOYSA-N 1 2 295.342 2.013 20 30 CEEDLO CCOc1cccc(C[NH2+]Cc2ccc(C#N)cn2)n1 ZINC000780557532 808201076 /nfs/dbraw/zinc/20/10/76/808201076.db2.gz YYZNEIGRNWGTMZ-UHFFFAOYSA-N 1 2 268.320 2.037 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001031943470 808211403 /nfs/dbraw/zinc/21/14/03/808211403.db2.gz DLOPUNDTPYUZOS-HNNXBMFYSA-N 1 2 290.794 2.127 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCCC1 ZINC001032450492 808615323 /nfs/dbraw/zinc/61/53/23/808615323.db2.gz QLOXSZGDDCBBQN-GJZGRUSLSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCCC1 ZINC001032450492 808615327 /nfs/dbraw/zinc/61/53/27/808615327.db2.gz QLOXSZGDDCBBQN-GJZGRUSLSA-N 1 2 274.408 2.265 20 30 CEEDLO C#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cn1 ZINC001212356147 808652985 /nfs/dbraw/zinc/65/29/85/808652985.db2.gz OEFYYQPBEJARSI-UHFFFAOYSA-N 1 2 280.331 2.038 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccnc2s1 ZINC001032714552 808795575 /nfs/dbraw/zinc/79/55/75/808795575.db2.gz LOIRZHCOHLIYQR-STQMWFEESA-N 1 2 299.399 2.381 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccnc2s1 ZINC001032714552 808795579 /nfs/dbraw/zinc/79/55/79/808795579.db2.gz LOIRZHCOHLIYQR-STQMWFEESA-N 1 2 299.399 2.381 20 30 CEEDLO C=CCC(CC=C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001128085469 808808729 /nfs/dbraw/zinc/80/87/29/808808729.db2.gz UGULSIWWIDTDEM-LLVKDONJSA-N 1 2 294.424 2.073 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2[nH]ccc2s1 ZINC001032755029 808834975 /nfs/dbraw/zinc/83/49/75/808834975.db2.gz AGRVWTOGEMYRDA-QWRGUYRKSA-N 1 2 287.388 2.314 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2[nH]ccc2s1 ZINC001032755029 808834978 /nfs/dbraw/zinc/83/49/78/808834978.db2.gz AGRVWTOGEMYRDA-QWRGUYRKSA-N 1 2 287.388 2.314 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCC1 ZINC001032764089 808848525 /nfs/dbraw/zinc/84/85/25/808848525.db2.gz AWXADXJFNWDMBY-HOTGVXAUSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCC1 ZINC001032764089 808848531 /nfs/dbraw/zinc/84/85/31/808848531.db2.gz AWXADXJFNWDMBY-HOTGVXAUSA-N 1 2 274.408 2.265 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc3ncccc23)C1 ZINC001043318947 808961775 /nfs/dbraw/zinc/96/17/75/808961775.db2.gz BRUKSZOFRXICHD-UHFFFAOYSA-N 1 2 295.386 2.106 20 30 CEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCC)c2C1 ZINC001128196537 808992316 /nfs/dbraw/zinc/99/23/16/808992316.db2.gz FXIMIXGFEUBVPD-UHFFFAOYSA-N 1 2 290.411 2.081 20 30 CEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCC)c2C1 ZINC001128196537 808992320 /nfs/dbraw/zinc/99/23/20/808992320.db2.gz FXIMIXGFEUBVPD-UHFFFAOYSA-N 1 2 290.411 2.081 20 30 CEEDLO CCOC(=O)C1(C)CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001171957413 815253832 /nfs/dbraw/zinc/25/38/32/815253832.db2.gz OJCDRJLNPVJOHH-DCBWTQNWSA-N 1 2 252.358 2.342 20 30 CEEDLO CCOC(=O)C1(C)CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001171957413 815253834 /nfs/dbraw/zinc/25/38/34/815253834.db2.gz OJCDRJLNPVJOHH-DCBWTQNWSA-N 1 2 252.358 2.342 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCCC2)C1 ZINC001032866548 809101218 /nfs/dbraw/zinc/10/12/18/809101218.db2.gz JNZRAHZUHYCFAH-ZDUSSCGKSA-N 1 2 270.804 2.462 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCCC2)C1 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CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1F ZINC001143165368 809213067 /nfs/dbraw/zinc/21/30/67/809213067.db2.gz ZCDQUUNLSHIQBC-QWHCGFSZSA-N 1 2 284.281 2.131 20 30 CEEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2C(C)C)C1 ZINC001033483319 809314828 /nfs/dbraw/zinc/31/48/28/809314828.db2.gz HDBFUUFMWRRRLT-GFCCVEGCSA-N 1 2 291.420 2.046 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scnc2C(C)C)C1 ZINC001033483319 809314834 /nfs/dbraw/zinc/31/48/34/809314834.db2.gz HDBFUUFMWRRRLT-GFCCVEGCSA-N 1 2 291.420 2.046 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)on2)C1 ZINC001033737247 809399085 /nfs/dbraw/zinc/39/90/85/809399085.db2.gz KIMGUELNHWKMKF-GFCCVEGCSA-N 1 2 297.786 2.272 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)on2)C1 ZINC001033737247 809399090 /nfs/dbraw/zinc/39/90/90/809399090.db2.gz KIMGUELNHWKMKF-GFCCVEGCSA-N 1 2 297.786 2.272 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2=CCOCC2)C1 ZINC001033815568 809426719 /nfs/dbraw/zinc/42/67/19/809426719.db2.gz 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ZINC001034313323 809576774 /nfs/dbraw/zinc/57/67/74/809576774.db2.gz BIHKPPPTHRQTAB-GFCCVEGCSA-N 1 2 299.777 2.491 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001034313323 809576780 /nfs/dbraw/zinc/57/67/80/809576780.db2.gz BIHKPPPTHRQTAB-GFCCVEGCSA-N 1 2 299.777 2.491 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001035271502 809771537 /nfs/dbraw/zinc/77/15/37/809771537.db2.gz CZJGNIBFGJFSTL-HNNXBMFYSA-N 1 2 288.391 2.002 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001035271502 809771541 /nfs/dbraw/zinc/77/15/41/809771541.db2.gz CZJGNIBFGJFSTL-HNNXBMFYSA-N 1 2 288.391 2.002 20 30 CEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172177888 815330613 /nfs/dbraw/zinc/33/06/13/815330613.db2.gz ZZADZRNUCRPBMC-KCQAQPDRSA-N 1 2 263.385 2.058 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cn(C)cn1 ZINC000710104002 809981206 /nfs/dbraw/zinc/98/12/06/809981206.db2.gz KFJQEDCHJKAEMY-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CCC ZINC001121612916 815347126 /nfs/dbraw/zinc/34/71/26/815347126.db2.gz QDHRYFIQASGRQZ-CYBMUJFWSA-N 1 2 277.416 2.467 20 30 CEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CCC ZINC001121612916 815347131 /nfs/dbraw/zinc/34/71/31/815347131.db2.gz QDHRYFIQASGRQZ-CYBMUJFWSA-N 1 2 277.416 2.467 20 30 CEEDLO C=CCO[C@H]1CCN(c2cc(NCCC)[nH+]cn2)C1 ZINC001118926671 810386521 /nfs/dbraw/zinc/38/65/21/810386521.db2.gz UIDNKDMQLIOIOG-LBPRGKRZSA-N 1 2 262.357 2.080 20 30 CEEDLO C=CCO[C@H]1CCN(c2cc(NCCC)nc[nH+]2)C1 ZINC001118926671 810386530 /nfs/dbraw/zinc/38/65/30/810386530.db2.gz UIDNKDMQLIOIOG-LBPRGKRZSA-N 1 2 262.357 2.080 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172314740 815367419 /nfs/dbraw/zinc/36/74/19/815367419.db2.gz LRYXKQFJEHFFCM-HONMWMINSA-N 1 2 250.292 2.481 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172314740 815367424 /nfs/dbraw/zinc/36/74/24/815367424.db2.gz LRYXKQFJEHFFCM-HONMWMINSA-N 1 2 250.292 2.481 20 30 CEEDLO C=CCCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098890526 810409176 /nfs/dbraw/zinc/40/91/76/810409176.db2.gz ZISRYLGAJGGLDJ-LLVKDONJSA-N 1 2 262.357 2.058 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001084325068 810461104 /nfs/dbraw/zinc/46/11/04/810461104.db2.gz GCJBWLLEYDKBHX-DGCLKSJQSA-N 1 2 292.379 2.057 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001084325068 810461109 /nfs/dbraw/zinc/46/11/09/810461109.db2.gz GCJBWLLEYDKBHX-DGCLKSJQSA-N 1 2 292.379 2.057 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Cl ZINC001017505859 810529168 /nfs/dbraw/zinc/52/91/68/810529168.db2.gz YHLIWHJSMBSSKN-TXEJJXNPSA-N 1 2 292.766 2.245 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Cl ZINC001017505859 810529171 /nfs/dbraw/zinc/52/91/71/810529171.db2.gz YHLIWHJSMBSSKN-TXEJJXNPSA-N 1 2 292.766 2.245 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c[nH]nc21 ZINC001017785769 810552040 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20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210459 810596688 /nfs/dbraw/zinc/59/66/88/810596688.db2.gz KIDSNOKNRKUQTR-CALCHBBNSA-N 1 2 282.387 2.307 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210459 810596695 /nfs/dbraw/zinc/59/66/95/810596695.db2.gz KIDSNOKNRKUQTR-CALCHBBNSA-N 1 2 282.387 2.307 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1sccc1F ZINC001038226731 810811004 /nfs/dbraw/zinc/81/10/04/810811004.db2.gz WQGKPWQEQLILHK-JTQLQIEISA-N 1 2 268.357 2.267 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1sccc1F ZINC001038226731 810811008 /nfs/dbraw/zinc/81/10/08/810811008.db2.gz WQGKPWQEQLILHK-JTQLQIEISA-N 1 2 268.357 2.267 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001038357628 810831175 /nfs/dbraw/zinc/83/11/75/810831175.db2.gz PXMUIZQLPPXXHF-JTQLQIEISA-N 1 2 296.802 2.006 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001038357628 810831182 /nfs/dbraw/zinc/83/11/82/810831182.db2.gz PXMUIZQLPPXXHF-JTQLQIEISA-N 1 2 296.802 2.006 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038478852 810846587 /nfs/dbraw/zinc/84/65/87/810846587.db2.gz WWHQEOFKJBZXFX-AWEZNQCLSA-N 1 2 274.364 2.032 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038478852 810846594 /nfs/dbraw/zinc/84/65/94/810846594.db2.gz WWHQEOFKJBZXFX-AWEZNQCLSA-N 1 2 274.364 2.032 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1F ZINC001038547544 810860343 /nfs/dbraw/zinc/86/03/43/810860343.db2.gz ZSSJPKWIPXANQH-NSHDSACASA-N 1 2 294.757 2.225 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1F ZINC001038547544 810860349 /nfs/dbraw/zinc/86/03/49/810860349.db2.gz ZSSJPKWIPXANQH-NSHDSACASA-N 1 2 294.757 2.225 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038666041 810883840 /nfs/dbraw/zinc/88/38/40/810883840.db2.gz GCPDTAPELFDEDS-GFCCVEGCSA-N 1 2 276.767 2.086 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038666041 810883849 /nfs/dbraw/zinc/88/38/49/810883849.db2.gz GCPDTAPELFDEDS-GFCCVEGCSA-N 1 2 276.767 2.086 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038735262 810901379 /nfs/dbraw/zinc/90/13/79/810901379.db2.gz GJFJHMFUFKVHQV-LBPRGKRZSA-N 1 2 294.757 2.307 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038735262 810901382 /nfs/dbraw/zinc/90/13/82/810901382.db2.gz GJFJHMFUFKVHQV-LBPRGKRZSA-N 1 2 294.757 2.307 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038795762 810917571 /nfs/dbraw/zinc/91/75/71/810917571.db2.gz BNILABWHUVYTJU-KRWDZBQOSA-N 1 2 280.371 2.083 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038795762 810917572 /nfs/dbraw/zinc/91/75/72/810917572.db2.gz BNILABWHUVYTJU-KRWDZBQOSA-N 1 2 280.371 2.083 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038863574 810931424 /nfs/dbraw/zinc/93/14/24/810931424.db2.gz LTUFOKYPLFZKOW-CYBMUJFWSA-N 1 2 274.364 2.149 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038863574 810931431 /nfs/dbraw/zinc/93/14/31/810931431.db2.gz LTUFOKYPLFZKOW-CYBMUJFWSA-N 1 2 274.364 2.149 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cccnc2c1 ZINC001085880758 810954096 /nfs/dbraw/zinc/95/40/96/810954096.db2.gz MOOUHTULSYRRRF-INIZCTEOSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cccnc2c1 ZINC001085880758 810954104 /nfs/dbraw/zinc/95/41/04/810954104.db2.gz MOOUHTULSYRRRF-INIZCTEOSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1Cl ZINC001038956148 810956642 /nfs/dbraw/zinc/95/66/42/810956642.db2.gz MZLOGCCITJEXLU-NSHDSACASA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1Cl ZINC001038956148 810956647 /nfs/dbraw/zinc/95/66/47/810956647.db2.gz MZLOGCCITJEXLU-NSHDSACASA-N 1 2 297.185 2.431 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C1CC1 ZINC001085959227 810984915 /nfs/dbraw/zinc/98/49/15/810984915.db2.gz WRHUMXHPDZFNCQ-ZDUSSCGKSA-N 1 2 288.416 2.405 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C1CC1 ZINC001085959227 810984924 /nfs/dbraw/zinc/98/49/24/810984924.db2.gz WRHUMXHPDZFNCQ-ZDUSSCGKSA-N 1 2 288.416 2.405 20 30 CEEDLO COC(=O)C1(C)CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001168772289 810988195 /nfs/dbraw/zinc/98/81/95/810988195.db2.gz HRGPHTDFHNYCPJ-LXVYMNJGSA-N 1 2 250.342 2.096 20 30 CEEDLO COC(=O)C1(C)CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001168772289 810988202 /nfs/dbraw/zinc/98/82/02/810988202.db2.gz HRGPHTDFHNYCPJ-LXVYMNJGSA-N 1 2 250.342 2.096 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085994807 810999934 /nfs/dbraw/zinc/99/99/34/810999934.db2.gz VNPAFLJWDSGZOB-ZDUSSCGKSA-N 1 2 274.364 2.183 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085994807 810999939 /nfs/dbraw/zinc/99/99/39/810999939.db2.gz VNPAFLJWDSGZOB-ZDUSSCGKSA-N 1 2 274.364 2.183 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001108354019 811240272 /nfs/dbraw/zinc/24/02/72/811240272.db2.gz VVHQQNBBXKQITR-BFYDXBDKSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001108354019 811240277 /nfs/dbraw/zinc/24/02/77/811240277.db2.gz VVHQQNBBXKQITR-BFYDXBDKSA-N 1 2 294.439 2.206 20 30 CEEDLO C[C@H]1C[C@@H]([N@@H+]2CC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168870307 811276620 /nfs/dbraw/zinc/27/66/20/811276620.db2.gz AGMUEXREDPNYPG-YNEHKIRRSA-N 1 2 279.384 2.230 20 30 CEEDLO C[C@H]1C[C@@H]([N@H+]2CC[C@H](C#N)C2)CN1C(=O)OC(C)(C)C ZINC001168870307 811276626 /nfs/dbraw/zinc/27/66/26/811276626.db2.gz AGMUEXREDPNYPG-YNEHKIRRSA-N 1 2 279.384 2.230 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3occc3c2)C1 ZINC001042760761 811326674 /nfs/dbraw/zinc/32/66/74/811326674.db2.gz LUVOOISCUZJGQH-UHFFFAOYSA-N 1 2 282.343 2.212 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3cccnc32)C1 ZINC001043238790 811358573 /nfs/dbraw/zinc/35/85/73/811358573.db2.gz OWLYJPJWTYBOGX-UHFFFAOYSA-N 1 2 281.359 2.177 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)ccc2OC)C1 ZINC001043250789 811360789 /nfs/dbraw/zinc/36/07/89/811360789.db2.gz SYGJGLNYGNLOOV-UHFFFAOYSA-N 1 2 288.391 2.336 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001044055302 811432677 /nfs/dbraw/zinc/43/26/77/811432677.db2.gz DDLFREWWDFTQFI-UHFFFAOYSA-N 1 2 288.391 2.336 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001044056783 811433340 /nfs/dbraw/zinc/43/33/40/811433340.db2.gz HBTVZPKTEADOHC-LLVKDONJSA-N 1 2 291.395 2.114 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001044066007 811433914 /nfs/dbraw/zinc/43/39/14/811433914.db2.gz GIUDLCWCRGTYHL-CYBMUJFWSA-N 1 2 288.366 2.095 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(F)CCCCC2)C1 ZINC001044139130 811443890 /nfs/dbraw/zinc/44/38/90/811443890.db2.gz VYXIJEKQQKUXBO-UHFFFAOYSA-N 1 2 268.376 2.378 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(C)ccc2F)C1 ZINC001044212057 811454634 /nfs/dbraw/zinc/45/46/34/811454634.db2.gz OGSURUSCCWWIOX-UHFFFAOYSA-N 1 2 276.355 2.005 20 30 CEEDLO COc1ccc(CNc2cc(C3(C#N)CC3)cc[nH+]2)nn1 ZINC001169467586 811537208 /nfs/dbraw/zinc/53/72/08/811537208.db2.gz JXITXTLQAIYTGV-UHFFFAOYSA-N 1 2 281.319 2.047 20 30 CEEDLO O=C(C=CNc1ccc(Cn2cc[nH+]c2)cn1)C(F)(F)F ZINC001169474232 811539105 /nfs/dbraw/zinc/53/91/05/811539105.db2.gz XCMQXJYDDCFUSK-ONEGZZNKSA-N 1 2 296.252 2.383 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001071310616 811702568 /nfs/dbraw/zinc/70/25/68/811702568.db2.gz RCCQIWKOOZUVGV-WDEREUQCSA-N 1 2 276.783 2.456 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001071310616 811702575 /nfs/dbraw/zinc/70/25/75/811702575.db2.gz RCCQIWKOOZUVGV-WDEREUQCSA-N 1 2 276.783 2.456 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc(F)c2)C1 ZINC001046184047 811702886 /nfs/dbraw/zinc/70/28/86/811702886.db2.gz WHYNFIDFSBIPEA-AWEZNQCLSA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc(F)c2)C1 ZINC001046184047 811702894 /nfs/dbraw/zinc/70/28/94/811702894.db2.gz WHYNFIDFSBIPEA-AWEZNQCLSA-N 1 2 297.761 2.167 20 30 CEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169905520 811707641 /nfs/dbraw/zinc/70/76/41/811707641.db2.gz OIPHTEXLOXNQDS-QWHCGFSZSA-N 1 2 252.358 2.200 20 30 CEEDLO CCCC[N@H+](CC#N)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172632032 815479331 /nfs/dbraw/zinc/47/93/31/815479331.db2.gz QLKSCRWJSHQTDT-STQMWFEESA-N 1 2 252.358 2.344 20 30 CEEDLO CCCC[N@@H+](CC#N)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172632032 815479333 /nfs/dbraw/zinc/47/93/33/815479333.db2.gz QLKSCRWJSHQTDT-STQMWFEESA-N 1 2 252.358 2.344 20 30 CEEDLO CCN(CCn1cc[nH+]c1)c1nc2c(cc1C#N)CCC2 ZINC001157466554 812165585 /nfs/dbraw/zinc/16/55/85/812165585.db2.gz NNMIWYJPOLEZIA-UHFFFAOYSA-N 1 2 281.363 2.165 20 30 CEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113217788 812185466 /nfs/dbraw/zinc/18/54/66/812185466.db2.gz JTNOFBYDPCBJGN-HZPDHXFCSA-N 1 2 296.455 2.406 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc[nH]1)C2 ZINC001096795296 812276950 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815771938 /nfs/dbraw/zinc/77/19/38/815771938.db2.gz PPFVLRNPLYHVSP-UHFFFAOYSA-N 1 2 287.359 2.072 20 30 CEEDLO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C#N)C1 ZINC001173639000 815775369 /nfs/dbraw/zinc/77/53/69/815775369.db2.gz GMKDBKKJBIIHLW-UPJWGTAASA-N 1 2 250.342 2.096 20 30 CEEDLO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C#N)C1 ZINC001173639000 815775372 /nfs/dbraw/zinc/77/53/72/815775372.db2.gz GMKDBKKJBIIHLW-UPJWGTAASA-N 1 2 250.342 2.096 20 30 CEEDLO COc1cc(C)c(C[N@@H+]2CC[C@@H](C#N)C2)cc1OC ZINC001138439294 815801746 /nfs/dbraw/zinc/80/17/46/815801746.db2.gz BUHARSGEBXJFFG-LBPRGKRZSA-N 1 2 260.337 2.358 20 30 CEEDLO COc1cc(C)c(C[N@H+]2CC[C@@H](C#N)C2)cc1OC ZINC001138439294 815801753 /nfs/dbraw/zinc/80/17/53/815801753.db2.gz BUHARSGEBXJFFG-LBPRGKRZSA-N 1 2 260.337 2.358 20 30 CEEDLO C=C(C)COc1ccccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001138663374 815864439 /nfs/dbraw/zinc/86/44/39/815864439.db2.gz UHGFDOVFDCQSNM-UHFFFAOYSA-N 1 2 290.382 2.479 20 30 CEEDLO C=CCN1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC001139681005 816080461 /nfs/dbraw/zinc/08/04/61/816080461.db2.gz QUZIYBBIXTXLGN-UHFFFAOYSA-N 1 2 284.407 2.255 20 30 CEEDLO C=C(C)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174789204 816081771 /nfs/dbraw/zinc/08/17/71/816081771.db2.gz DCEVRDXAEPOSIZ-UHFFFAOYSA-N 1 2 262.353 2.343 20 30 CEEDLO C=CCn1cc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cn1 ZINC001139767930 816110310 /nfs/dbraw/zinc/11/03/10/816110310.db2.gz DZZBPWIYIKOEQP-QWHCGFSZSA-N 1 2 255.312 2.341 20 30 CEEDLO C=CCn1cc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cn1 ZINC001139767930 816110313 /nfs/dbraw/zinc/11/03/13/816110313.db2.gz DZZBPWIYIKOEQP-QWHCGFSZSA-N 1 2 255.312 2.341 20 30 CEEDLO Cc1ncc(C#N)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175341956 816167501 /nfs/dbraw/zinc/16/75/01/816167501.db2.gz XMHHVRHIPJADFH-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2n[nH]c3ccc(OC)cc32)C1 ZINC001140069508 816187126 /nfs/dbraw/zinc/18/71/26/816187126.db2.gz XGKYAEPVHJMNBS-LBPRGKRZSA-N 1 2 269.348 2.417 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CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C)C#N ZINC000595811385 345881658 /nfs/dbraw/zinc/88/16/58/345881658.db2.gz BBWIFNUIUDZIIJ-LLVKDONJSA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H](C)C#N ZINC000595818717 345885135 /nfs/dbraw/zinc/88/51/35/345885135.db2.gz XURJPWRJTNXIMK-LBPRGKRZSA-N 1 2 275.352 2.258 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1cccc(OC)c1)[C@@H](C)C#N ZINC000595818717 345885137 /nfs/dbraw/zinc/88/51/37/345885137.db2.gz XURJPWRJTNXIMK-LBPRGKRZSA-N 1 2 275.352 2.258 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC2CC1(C)C2 ZINC000595920806 345913315 /nfs/dbraw/zinc/91/33/15/345913315.db2.gz WVEWSIDSELBMGJ-UGWHAMFMSA-N 1 2 270.332 2.257 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC2CC1(C)C2 ZINC000595920806 345913317 /nfs/dbraw/zinc/91/33/17/345913317.db2.gz WVEWSIDSELBMGJ-UGWHAMFMSA-N 1 2 270.332 2.257 20 30 CEEDLO C[C@@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)c2[nH+]ccn21 ZINC000596256580 345982317 /nfs/dbraw/zinc/98/23/17/345982317.db2.gz 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/nfs/dbraw/zinc/11/36/79/346113679.db2.gz LIHPUUIVXKFSNF-LBPRGKRZSA-N 1 2 280.331 2.333 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597003517 346114507 /nfs/dbraw/zinc/11/45/07/346114507.db2.gz HXWMXYFMRWMLLW-NSHDSACASA-N 1 2 296.330 2.034 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597003517 346114510 /nfs/dbraw/zinc/11/45/10/346114510.db2.gz HXWMXYFMRWMLLW-NSHDSACASA-N 1 2 296.330 2.034 20 30 CEEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC000597130608 346132676 /nfs/dbraw/zinc/13/26/76/346132676.db2.gz UNTBBXBKGLLTJB-LSDHHAIUSA-N 1 2 254.333 2.215 20 30 CEEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC000597130608 346132678 /nfs/dbraw/zinc/13/26/78/346132678.db2.gz UNTBBXBKGLLTJB-LSDHHAIUSA-N 1 2 254.333 2.215 20 30 CEEDLO N#CC1(C[NH2+]Cc2cn(C3CCC3)nn2)CCCC1 ZINC000597158565 346138527 /nfs/dbraw/zinc/13/85/27/346138527.db2.gz QSVUBFKZIHOHQI-UHFFFAOYSA-N 1 2 259.357 2.177 20 30 CEEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597228945 346154955 /nfs/dbraw/zinc/15/49/55/346154955.db2.gz IXLDECXFFARMGR-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597228945 346154956 /nfs/dbraw/zinc/15/49/56/346154956.db2.gz IXLDECXFFARMGR-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc2c1OCCO2 ZINC000597229466 346155409 /nfs/dbraw/zinc/15/54/09/346155409.db2.gz LICMYSPOCLDXJD-MRXNPFEDSA-N 1 2 288.347 2.202 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc2c1OCCO2 ZINC000597229466 346155413 /nfs/dbraw/zinc/15/54/13/346155413.db2.gz LICMYSPOCLDXJD-MRXNPFEDSA-N 1 2 288.347 2.202 20 30 CEEDLO C[C@@H](CC#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000597252846 346162878 /nfs/dbraw/zinc/16/28/78/346162878.db2.gz AFDQJOMESGSQEF-GWCFXTLKSA-N 1 2 295.333 2.233 20 30 CEEDLO C[C@H](CC#N)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000597581505 346203987 /nfs/dbraw/zinc/20/39/87/346203987.db2.gz HQRGJMQJCCTVCE-SECBINFHSA-N 1 2 271.324 2.117 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597955235 346257770 /nfs/dbraw/zinc/25/77/70/346257770.db2.gz NGTGTUMRTFEDAY-UHFFFAOYSA-N 1 2 296.374 2.276 20 30 CEEDLO Cc1cccn2c(NC(=O)CC3(C#N)CCOCC3)c[nH+]c12 ZINC000598261799 346316146 /nfs/dbraw/zinc/31/61/46/346316146.db2.gz JLPKIOHWKHYOKG-UHFFFAOYSA-N 1 2 298.346 2.292 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000598591672 346379560 /nfs/dbraw/zinc/37/95/60/346379560.db2.gz CBNRHXWPHBYFNR-ZDUSSCGKSA-N 1 2 275.352 2.296 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000598591672 346379561 /nfs/dbraw/zinc/37/95/61/346379561.db2.gz CBNRHXWPHBYFNR-ZDUSSCGKSA-N 1 2 275.352 2.296 20 30 CEEDLO CN1c2ccccc2C[N@H+](CCCSCC#N)CC1=O ZINC000598945796 346435844 /nfs/dbraw/zinc/43/58/44/346435844.db2.gz BGMBWLRPBIATKV-UHFFFAOYSA-N 1 2 289.404 2.112 20 30 CEEDLO CN1c2ccccc2C[N@@H+](CCCSCC#N)CC1=O ZINC000598945796 346435848 /nfs/dbraw/zinc/43/58/48/346435848.db2.gz BGMBWLRPBIATKV-UHFFFAOYSA-N 1 2 289.404 2.112 20 30 CEEDLO CN1c2ccccc2C[N@H+](CCC(C)(C)C#N)CC1=O ZINC000598948289 346436468 /nfs/dbraw/zinc/43/64/68/346436468.db2.gz SQPSAWKMDSINIG-UHFFFAOYSA-N 1 2 271.364 2.405 20 30 CEEDLO CN1c2ccccc2C[N@@H+](CCC(C)(C)C#N)CC1=O ZINC000598948289 346436471 /nfs/dbraw/zinc/43/64/71/346436471.db2.gz SQPSAWKMDSINIG-UHFFFAOYSA-N 1 2 271.364 2.405 20 30 CEEDLO C=CC[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000623261508 349965514 /nfs/dbraw/zinc/96/55/14/349965514.db2.gz UTZHIIJMSYNQRJ-GDBMZVCRSA-N 1 2 281.359 2.284 20 30 CEEDLO COC(=O)CCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000599453702 346523401 /nfs/dbraw/zinc/52/34/01/346523401.db2.gz YJZWVXPMKQTZBP-UHFFFAOYSA-N 1 2 258.321 2.217 20 30 CEEDLO COC(=O)CCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000599453702 346523403 /nfs/dbraw/zinc/52/34/03/346523403.db2.gz YJZWVXPMKQTZBP-UHFFFAOYSA-N 1 2 258.321 2.217 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000599302704 346494732 /nfs/dbraw/zinc/49/47/32/346494732.db2.gz JGTLKUDDYPBQEU-UHFFFAOYSA-N 1 2 273.336 2.001 20 30 CEEDLO CCOC(=O)c1ccc(C[NH+]2CCC(C)(C#N)CC2)[nH]1 ZINC000602606233 347097343 /nfs/dbraw/zinc/09/73/43/347097343.db2.gz NKVTVFNIFUHYAS-UHFFFAOYSA-N 1 2 275.352 2.317 20 30 CEEDLO COCCc1ncc(C[N@@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000602609002 347100055 /nfs/dbraw/zinc/10/00/55/347100055.db2.gz OYOOYKVQBWRUKK-AWEZNQCLSA-N 1 2 279.409 2.458 20 30 CEEDLO COCCc1ncc(C[N@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000602609002 347100058 /nfs/dbraw/zinc/10/00/58/347100058.db2.gz OYOOYKVQBWRUKK-AWEZNQCLSA-N 1 2 279.409 2.458 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623286774 349974174 /nfs/dbraw/zinc/97/41/74/349974174.db2.gz CBDMHAZWEYZLRG-CYBMUJFWSA-N 1 2 297.196 2.139 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286774 349974177 /nfs/dbraw/zinc/97/41/77/349974177.db2.gz CBDMHAZWEYZLRG-CYBMUJFWSA-N 1 2 297.196 2.139 20 30 CEEDLO C=CCC[C@H](O)C[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599557430 346537272 /nfs/dbraw/zinc/53/72/72/346537272.db2.gz CCCKNYBISRSCIF-XJKSGUPXSA-N 1 2 283.412 2.415 20 30 CEEDLO COCCCNc1ccc(-c2cccc(C#N)c2)c[nH+]1 ZINC000600774649 346687630 /nfs/dbraw/zinc/68/76/30/346687630.db2.gz FDAYRCPXLNXHMF-UHFFFAOYSA-N 1 2 267.332 2.491 20 30 CEEDLO COCCCNc1ccc(-c2ccc(O)c(C#N)c2)c[nH+]1 ZINC000600780917 346689312 /nfs/dbraw/zinc/68/93/12/346689312.db2.gz WVPABXCMOTVWEY-UHFFFAOYSA-N 1 2 283.331 2.196 20 30 CEEDLO N#Cc1cc(-c2cc[nH+]c(N3CCOCC3)c2)ccc1O ZINC000600781038 346689411 /nfs/dbraw/zinc/68/94/11/346689411.db2.gz YTLHIPGVMDXKMG-UHFFFAOYSA-N 1 2 281.315 2.162 20 30 CEEDLO C[C@H](C#N)CN(C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601011347 346731522 /nfs/dbraw/zinc/73/15/22/346731522.db2.gz WVIUIZIVOXAUDB-LLVKDONJSA-N 1 2 268.320 2.308 20 30 CEEDLO C[C@@H](C#N)CN(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601011153 346731737 /nfs/dbraw/zinc/73/17/37/346731737.db2.gz UEGXQOAHDOYLBX-ZDUSSCGKSA-N 1 2 282.347 2.033 20 30 CEEDLO Cc1cc(N[C@@H](C2CCC2)[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000601250326 346801240 /nfs/dbraw/zinc/80/12/40/346801240.db2.gz LMZDQGNZTIKBKD-HOTGVXAUSA-N 1 2 271.364 2.443 20 30 CEEDLO COC(=O)[C@@H](CC(F)(F)F)[NH2+]C[C@H](C)CCC#N ZINC000602636372 347116395 /nfs/dbraw/zinc/11/63/95/347116395.db2.gz UTDDZPGSCDMJMQ-RKDXNWHRSA-N 1 2 266.263 2.010 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H](CC)[C@H]1CC1(C)C)C(=O)OC ZINC000602641821 347118865 /nfs/dbraw/zinc/11/88/65/347118865.db2.gz FKGYPNAUAORQNQ-AGIUHOORSA-N 1 2 269.385 2.145 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC2(CCC2)O1 ZINC000602702002 347157563 /nfs/dbraw/zinc/15/75/63/347157563.db2.gz HGTBRTPFJSNBJU-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC2(CCC2)O1 ZINC000602702002 347157567 /nfs/dbraw/zinc/15/75/67/347157567.db2.gz HGTBRTPFJSNBJU-GFCCVEGCSA-N 1 2 257.337 2.097 20 30 CEEDLO COC(=O)c1coc([C@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000602807371 347207514 /nfs/dbraw/zinc/20/75/14/347207514.db2.gz SELNGTYWBVUTNG-JTQLQIEISA-N 1 2 277.324 2.148 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]CCCc1ccc(C)nc1)C(=O)OC ZINC000602733556 347177006 /nfs/dbraw/zinc/17/70/06/347177006.db2.gz JCLKDVRIGTYJEG-OAHLLOKOSA-N 1 2 276.380 2.420 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CSCCF)C(=O)OC ZINC000602738361 347180099 /nfs/dbraw/zinc/18/00/99/347180099.db2.gz JCOMSIBEQNWCES-QWRGUYRKSA-N 1 2 263.378 2.175 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](C)CSCCF)C(=O)OC ZINC000602738359 347180243 /nfs/dbraw/zinc/18/02/43/347180243.db2.gz JCOMSIBEQNWCES-MNOVXSKESA-N 1 2 263.378 2.175 20 30 CEEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CC1(CC#N)CC1 ZINC000602832830 347217339 /nfs/dbraw/zinc/21/73/39/347217339.db2.gz SFZCLJAPBWGUPX-ZJUUUORDSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602832830 347217343 /nfs/dbraw/zinc/21/73/43/347217343.db2.gz SFZCLJAPBWGUPX-ZJUUUORDSA-N 1 2 262.275 2.332 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1Cl ZINC000602861153 347228774 /nfs/dbraw/zinc/22/87/74/347228774.db2.gz GCNAYTMRQWXKDI-JTQLQIEISA-N 1 2 265.744 2.479 20 30 CEEDLO CCN(C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)C1CCCCC1 ZINC000602864017 347230171 /nfs/dbraw/zinc/23/01/71/347230171.db2.gz PVZFDAFHTXLTGU-CHWSQXEVSA-N 1 2 265.401 2.448 20 30 CEEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000602903296 347242258 /nfs/dbraw/zinc/24/22/58/347242258.db2.gz PRXVEPLGYMXWNY-JQWIXIFHSA-N 1 2 258.312 2.425 20 30 CEEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000602903296 347242261 /nfs/dbraw/zinc/24/22/61/347242261.db2.gz PRXVEPLGYMXWNY-JQWIXIFHSA-N 1 2 258.312 2.425 20 30 CEEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@](C)(C(F)F)O1 ZINC000602903295 347242694 /nfs/dbraw/zinc/24/26/94/347242694.db2.gz PRXVEPLGYMXWNY-CMPLNLGQSA-N 1 2 258.312 2.425 20 30 CEEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@](C)(C(F)F)O1 ZINC000602903295 347242696 /nfs/dbraw/zinc/24/26/96/347242696.db2.gz PRXVEPLGYMXWNY-CMPLNLGQSA-N 1 2 258.312 2.425 20 30 CEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602908009 347244108 /nfs/dbraw/zinc/24/41/08/347244108.db2.gz XEHRZSVKQCZBKF-LLVKDONJSA-N 1 2 296.378 2.320 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccnc(C#N)c1 ZINC000603132874 347294396 /nfs/dbraw/zinc/29/43/96/347294396.db2.gz ZKTKJBDSZWNIIF-UHFFFAOYSA-N 1 2 298.350 2.127 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973639 347259986 /nfs/dbraw/zinc/25/99/86/347259986.db2.gz CQMMIXYIPLQIRU-IAGOWNOFSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973639 347259990 /nfs/dbraw/zinc/25/99/90/347259990.db2.gz CQMMIXYIPLQIRU-IAGOWNOFSA-N 1 2 299.418 2.278 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973888 347260586 /nfs/dbraw/zinc/26/05/86/347260586.db2.gz HDJFPORJZOHNMU-CBBWQLFWSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973888 347260587 /nfs/dbraw/zinc/26/05/87/347260587.db2.gz HDJFPORJZOHNMU-CBBWQLFWSA-N 1 2 277.412 2.305 20 30 CEEDLO C[N@H+](Cc1cc(CO)ccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602981386 347264829 /nfs/dbraw/zinc/26/48/29/347264829.db2.gz CDDZZKSOWGJBIK-IUODEOHRSA-N 1 2 262.328 2.442 20 30 CEEDLO C[N@@H+](Cc1cc(CO)ccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602981386 347264832 /nfs/dbraw/zinc/26/48/32/347264832.db2.gz CDDZZKSOWGJBIK-IUODEOHRSA-N 1 2 262.328 2.442 20 30 CEEDLO N#C[C@H]1CC[C@H](N2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000603006972 347271426 /nfs/dbraw/zinc/27/14/26/347271426.db2.gz SVBBAGGBWCRTDU-HOTGVXAUSA-N 1 2 285.391 2.202 20 30 CEEDLO N#Cc1ccsc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604523390 347419335 /nfs/dbraw/zinc/41/93/35/347419335.db2.gz RIUBCVAPDKANAS-UHFFFAOYSA-N 1 2 297.383 2.365 20 30 CEEDLO CC(C)Oc1ncccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000609574383 347643902 /nfs/dbraw/zinc/64/39/02/347643902.db2.gz RSGXOTWTQCXBLK-ZDUSSCGKSA-N 1 2 272.352 2.402 20 30 CEEDLO C[C@](CO)([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000609806880 347651701 /nfs/dbraw/zinc/65/17/01/347651701.db2.gz GTADKOBNGJNTTQ-GFCCVEGCSA-N 1 2 272.270 2.416 20 30 CEEDLO Cc1nc(C)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)s1 ZINC000610213248 347664937 /nfs/dbraw/zinc/66/49/37/347664937.db2.gz OIPLYOVUWNEVRN-CQSZACIVSA-N 1 2 292.452 2.426 20 30 CEEDLO COc1ccc(NCc2ccc(OC)c(C#N)c2)[nH+]c1 ZINC000610890406 347720897 /nfs/dbraw/zinc/72/08/97/347720897.db2.gz YZIVSYUXBNKZNJ-UHFFFAOYSA-N 1 2 269.304 2.004 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccnc(C#N)c1)C(C)(C)C ZINC000610994538 347730326 /nfs/dbraw/zinc/73/03/26/347730326.db2.gz SXHPSQLGUXSFLY-UHFFFAOYSA-N 1 2 275.352 2.117 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccnc(C#N)c1)C(C)(C)C ZINC000610994538 347730328 /nfs/dbraw/zinc/73/03/28/347730328.db2.gz SXHPSQLGUXSFLY-UHFFFAOYSA-N 1 2 275.352 2.117 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000611091226 347738914 /nfs/dbraw/zinc/73/89/14/347738914.db2.gz FHXINFKRHOIPMK-GXTWGEPZSA-N 1 2 272.348 2.450 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000611091226 347738919 /nfs/dbraw/zinc/73/89/19/347738919.db2.gz FHXINFKRHOIPMK-GXTWGEPZSA-N 1 2 272.348 2.450 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000611237201 347755746 /nfs/dbraw/zinc/75/57/46/347755746.db2.gz BCFLVYGTYROZAQ-WDEREUQCSA-N 1 2 285.413 2.253 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000611237201 347755750 /nfs/dbraw/zinc/75/57/50/347755750.db2.gz BCFLVYGTYROZAQ-WDEREUQCSA-N 1 2 285.413 2.253 20 30 CEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC=CCC2)c(C#N)c1C ZINC000611517215 347789019 /nfs/dbraw/zinc/78/90/19/347789019.db2.gz IXZACAXMULNTOR-LLVKDONJSA-N 1 2 273.336 2.357 20 30 CEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC=CCC2)c(C#N)c1C ZINC000611517215 347789022 /nfs/dbraw/zinc/78/90/22/347789022.db2.gz IXZACAXMULNTOR-LLVKDONJSA-N 1 2 273.336 2.357 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(CCOCC3CC3)CC2)cc1 ZINC000336853891 365927619 /nfs/dbraw/zinc/92/76/19/365927619.db2.gz CEAFCOZJLOGTDM-UHFFFAOYSA-N 1 2 299.418 2.102 20 30 CEEDLO Cn1nnc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)ccc21 ZINC000612164692 347851805 /nfs/dbraw/zinc/85/18/05/347851805.db2.gz FDSZGQWMQZONKX-HNNXBMFYSA-N 1 2 269.352 2.094 20 30 CEEDLO Cn1nnc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)ccc21 ZINC000612164692 347851806 /nfs/dbraw/zinc/85/18/06/347851806.db2.gz FDSZGQWMQZONKX-HNNXBMFYSA-N 1 2 269.352 2.094 20 30 CEEDLO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166566 347852754 /nfs/dbraw/zinc/85/27/54/347852754.db2.gz VSFZPAHFXUUZGS-ZFWWWQNUSA-N 1 2 263.385 2.011 20 30 CEEDLO CC(C)N1CCC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166566 347852757 /nfs/dbraw/zinc/85/27/57/347852757.db2.gz VSFZPAHFXUUZGS-ZFWWWQNUSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000612167468 347853686 /nfs/dbraw/zinc/85/36/86/347853686.db2.gz NOGNHSRSQMOGBB-XJKSGUPXSA-N 1 2 292.354 2.191 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000612167468 347853689 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C[C@H](C#N)C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000577972394 366423967 /nfs/dbraw/zinc/42/39/67/366423967.db2.gz IYUUCTVEPBPWEG-GFCCVEGCSA-N 1 2 293.798 2.426 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000578312647 366474241 /nfs/dbraw/zinc/47/42/41/366474241.db2.gz UPMDIXGXQPTAQH-GJZGRUSLSA-N 1 2 282.428 2.300 20 30 CEEDLO C=C(C)COCCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668157073 540575310 /nfs/dbraw/zinc/57/53/10/540575310.db2.gz GWRIPEBOICGLJF-UHFFFAOYSA-N 1 2 288.351 2.357 20 30 CEEDLO N#Cc1csc(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000579536960 366659061 /nfs/dbraw/zinc/65/90/61/366659061.db2.gz OLFHJGMREOVZQJ-CYBMUJFWSA-N 1 2 286.360 2.063 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178236151 189099891 /nfs/dbraw/zinc/09/98/91/189099891.db2.gz DSZVHKBZPIPTQC-UHFFFAOYSA-N 1 2 276.355 2.436 20 30 CEEDLO Cc1nsc(NCc2ccc[nH+]c2N(C)C)c1C#N ZINC000339974486 366735573 /nfs/dbraw/zinc/73/55/73/366735573.db2.gz IZVLWEDLWHPHTF-UHFFFAOYSA-N 1 2 273.365 2.396 20 30 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AVNWHJDWZSCWKR-CYBMUJFWSA-N 1 2 285.434 2.232 20 30 CEEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000448658236 378177813 /nfs/dbraw/zinc/17/78/13/378177813.db2.gz BMYCIRAVTIAEAH-SUMWQHHRSA-N 1 2 294.358 2.097 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1N(c2cccc(C#N)n2)CC1(C)C ZINC000295898693 378347730 /nfs/dbraw/zinc/34/77/30/378347730.db2.gz CIBIDPYYWYHVKW-CYBMUJFWSA-N 1 2 267.336 2.274 20 30 CEEDLO C=CC[N@H+](CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000450563357 378477134 /nfs/dbraw/zinc/47/71/34/378477134.db2.gz UBDSSZGQNHJHRH-AWEZNQCLSA-N 1 2 269.410 2.162 20 30 CEEDLO C=CC[N@@H+](CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000450563357 378477141 /nfs/dbraw/zinc/47/71/41/378477141.db2.gz UBDSSZGQNHJHRH-AWEZNQCLSA-N 1 2 269.410 2.162 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000298589672 378774512 /nfs/dbraw/zinc/77/45/12/378774512.db2.gz RPIMOSSCGVRBEJ-UHFFFAOYSA-N 1 2 254.337 2.056 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000298589672 378774520 /nfs/dbraw/zinc/77/45/20/378774520.db2.gz RPIMOSSCGVRBEJ-UHFFFAOYSA-N 1 2 254.337 2.056 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)C2)c(C#N)c1C ZINC000299684662 379105046 /nfs/dbraw/zinc/10/50/46/379105046.db2.gz WWRDGLJPRVXABF-VIFPVBQESA-N 1 2 261.325 2.048 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C#N)c1C ZINC000299684662 379105052 /nfs/dbraw/zinc/10/50/52/379105052.db2.gz WWRDGLJPRVXABF-VIFPVBQESA-N 1 2 261.325 2.048 20 30 CEEDLO C[C@@H](CC(=O)N1CCCC(C)(C)[C@H]1C#N)n1cc[nH+]c1 ZINC000514792353 379150956 /nfs/dbraw/zinc/15/09/56/379150956.db2.gz LUCQQJCDEAKSSF-QWHCGFSZSA-N 1 2 274.368 2.375 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C(F)F)c1 ZINC000514942065 379166859 /nfs/dbraw/zinc/16/68/59/379166859.db2.gz PPUGENHDADCBCZ-CQSZACIVSA-N 1 2 281.306 2.198 20 30 CEEDLO C#Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000279003148 194248028 /nfs/dbraw/zinc/24/80/28/194248028.db2.gz RKTDGDMNPADXAX-UHFFFAOYSA-N 1 2 291.398 2.381 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2ccccc2c1 ZINC000574739059 335043503 /nfs/dbraw/zinc/04/35/03/335043503.db2.gz SZYDRTIVTMRFRH-QGZVFWFLSA-N 1 2 281.359 2.413 20 30 CEEDLO C/C=C(\C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267554067 190337496 /nfs/dbraw/zinc/33/74/96/190337496.db2.gz HKCSMKQSPXLKEY-LZWSPWQCSA-N 1 2 283.375 2.169 20 30 CEEDLO N#CC1(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000334186463 380250410 /nfs/dbraw/zinc/25/04/10/380250410.db2.gz FOBLYIMPIQKYPC-QGZVFWFLSA-N 1 2 268.360 2.464 20 30 CEEDLO N#CC1(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000334186463 380250420 /nfs/dbraw/zinc/25/04/20/380250420.db2.gz FOBLYIMPIQKYPC-QGZVFWFLSA-N 1 2 268.360 2.464 20 30 CEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)o1 ZINC000543547394 380327040 /nfs/dbraw/zinc/32/70/40/380327040.db2.gz XBQXJOPBPTUZSJ-QMMMGPOBSA-N 1 2 260.272 2.240 20 30 CEEDLO C[C@@H](C#N)CNCc1[nH+]ccn1Cc1ccccc1 ZINC000543624352 380332694 /nfs/dbraw/zinc/33/26/94/380332694.db2.gz WLJOMETUFHEXMA-ZDUSSCGKSA-N 1 2 254.337 2.181 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)Cc1[nH]c[nH+]c1C ZINC000491044836 380277206 /nfs/dbraw/zinc/27/72/06/380277206.db2.gz JBBHJCNZNLUREI-UHFFFAOYSA-N 1 2 285.322 2.062 20 30 CEEDLO C#CC[C@@H](CC(F)(F)F)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493799259 381146687 /nfs/dbraw/zinc/14/66/87/381146687.db2.gz XOTLYZPGJHTUJQ-MLRMMBSGSA-N 1 2 299.296 2.377 20 30 CEEDLO C=CC[C@@H](CO)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000495071124 381165424 /nfs/dbraw/zinc/16/54/24/381165424.db2.gz WUOGLZIMIHCFBF-TZMCWYRMSA-N 1 2 278.400 2.200 20 30 CEEDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CCC#N ZINC000495812257 381186096 /nfs/dbraw/zinc/18/60/96/381186096.db2.gz AEBDKSSEUDCOGS-CYBMUJFWSA-N 1 2 267.373 2.233 20 30 CEEDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CCC#N ZINC000495812257 381186101 /nfs/dbraw/zinc/18/61/01/381186101.db2.gz AEBDKSSEUDCOGS-CYBMUJFWSA-N 1 2 267.373 2.233 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496196049 381202653 /nfs/dbraw/zinc/20/26/53/381202653.db2.gz UKJLBBPEWMCMPJ-UHFFFAOYSA-N 1 2 267.373 2.087 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496196049 381202664 /nfs/dbraw/zinc/20/26/64/381202664.db2.gz UKJLBBPEWMCMPJ-UHFFFAOYSA-N 1 2 267.373 2.087 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000329540128 296362792 /nfs/dbraw/zinc/36/27/92/296362792.db2.gz CUISENVFMIMVGO-IJLUTSLNSA-N 1 2 276.384 2.301 20 30 CEEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000329540128 296362795 /nfs/dbraw/zinc/36/27/95/296362795.db2.gz CUISENVFMIMVGO-IJLUTSLNSA-N 1 2 276.384 2.301 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1ccccc1C#N ZINC000349247709 218831173 /nfs/dbraw/zinc/83/11/73/218831173.db2.gz VADIDEYYMHEMGC-GHMZBOCLSA-N 1 2 284.319 2.224 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(C#N)s1 ZINC000353802327 220337981 /nfs/dbraw/zinc/33/79/81/220337981.db2.gz HQWPPIVRDSUREM-UHFFFAOYSA-N 1 2 299.399 2.368 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(C#N)s1 ZINC000353802327 220337986 /nfs/dbraw/zinc/33/79/86/220337986.db2.gz HQWPPIVRDSUREM-UHFFFAOYSA-N 1 2 299.399 2.368 20 30 CEEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000281669119 195328456 /nfs/dbraw/zinc/32/84/56/195328456.db2.gz LJYSLJRPLHBZAJ-CMPLNLGQSA-N 1 2 293.392 2.058 20 30 CEEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000281669119 195328459 /nfs/dbraw/zinc/32/84/59/195328459.db2.gz LJYSLJRPLHBZAJ-CMPLNLGQSA-N 1 2 293.392 2.058 20 30 CEEDLO Cc1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc1 ZINC000341972996 130185061 /nfs/dbraw/zinc/18/50/61/130185061.db2.gz QRTHCSJYIMYZRG-UHFFFAOYSA-N 1 2 264.332 2.436 20 30 CEEDLO N#Cc1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000413210723 394505529 /nfs/dbraw/zinc/50/55/29/394505529.db2.gz WSGPVLGUSASSMG-LBPRGKRZSA-N 1 2 283.310 2.178 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H]2CCCCS2(=O)=O)c(C)[nH+]1 ZINC000329559505 394572669 /nfs/dbraw/zinc/57/26/69/394572669.db2.gz FOQOFVZULGVOBB-LBPRGKRZSA-N 1 2 282.365 2.254 20 30 CEEDLO CC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329599775 394575565 /nfs/dbraw/zinc/57/55/65/394575565.db2.gz JWMSEGDECKMRKL-VXGBXAGGSA-N 1 2 276.384 2.303 20 30 CEEDLO CC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329599775 394575569 /nfs/dbraw/zinc/57/55/69/394575569.db2.gz JWMSEGDECKMRKL-VXGBXAGGSA-N 1 2 276.384 2.303 20 30 CEEDLO Cn1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(C2CC2)n1 ZINC000329602094 394576516 /nfs/dbraw/zinc/57/65/16/394576516.db2.gz FOIHURZKYAJEIL-NSHDSACASA-N 1 2 285.351 2.345 20 30 CEEDLO CC[C@@H]1OCCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329907282 394594058 /nfs/dbraw/zinc/59/40/58/394594058.db2.gz KUOLSAJQIUYZAB-KGLIPLIRSA-N 1 2 296.411 2.013 20 30 CEEDLO Cc1cnc([NH+]=C([O-])N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000329907094 394594106 /nfs/dbraw/zinc/59/41/06/394594106.db2.gz SQOHOOYJWCNEJM-PWSUYJOCSA-N 1 2 289.339 2.308 20 30 CEEDLO Cc1cnc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000329907094 394594108 /nfs/dbraw/zinc/59/41/08/394594108.db2.gz SQOHOOYJWCNEJM-PWSUYJOCSA-N 1 2 289.339 2.308 20 30 CEEDLO CC1(C)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329739148 394581712 /nfs/dbraw/zinc/58/17/12/394581712.db2.gz NFIPZWGNORSLDW-LLVKDONJSA-N 1 2 276.384 2.303 20 30 CEEDLO CC1(C)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329739148 394581714 /nfs/dbraw/zinc/58/17/14/394581714.db2.gz NFIPZWGNORSLDW-LLVKDONJSA-N 1 2 276.384 2.303 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ocnc1C)CCC2 ZINC000328654570 394554040 /nfs/dbraw/zinc/55/40/40/394554040.db2.gz LWTJMYOOGDLAKC-NSHDSACASA-N 1 2 274.324 2.370 20 30 CEEDLO C[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330278770 394600547 /nfs/dbraw/zinc/60/05/47/394600547.db2.gz QBWBTMHIOPBVQH-OLZOCXBDSA-N 1 2 276.384 2.234 20 30 CEEDLO CC(C)c1nn(C)cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330317697 394600626 /nfs/dbraw/zinc/60/06/26/394600626.db2.gz QMONILIIHRNDOI-NSHDSACASA-N 1 2 287.367 2.060 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)CC(F)F)CCC2 ZINC000330400261 394605335 /nfs/dbraw/zinc/60/53/35/394605335.db2.gz NMIDCZRIJOJPPC-SNVBAGLBSA-N 1 2 286.326 2.180 20 30 CEEDLO N#CCN(Cc1c[nH+]c2ccc(C#N)cn12)C1CCCC1 ZINC000093563217 394667480 /nfs/dbraw/zinc/66/74/80/394667480.db2.gz XXFUHRPGGNOXTA-UHFFFAOYSA-N 1 2 279.347 2.474 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ncc(C2CC2)o1 ZINC000270455908 394734752 /nfs/dbraw/zinc/73/47/52/394734752.db2.gz PBVVNAHVGHUDDG-JTQLQIEISA-N 1 2 281.356 2.402 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000271139916 394748977 /nfs/dbraw/zinc/74/89/77/394748977.db2.gz UOZQDPPCVPIQHC-GFCCVEGCSA-N 1 2 260.337 2.439 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000271139916 394748980 /nfs/dbraw/zinc/74/89/80/394748980.db2.gz UOZQDPPCVPIQHC-GFCCVEGCSA-N 1 2 260.337 2.439 20 30 CEEDLO N#Cc1csc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)n1 ZINC000414479719 394744955 /nfs/dbraw/zinc/74/49/55/394744955.db2.gz BCRDQUSPLLYMHH-UONOGXRCSA-N 1 2 285.372 2.323 20 30 CEEDLO N#Cc1csc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)n1 ZINC000414479719 394744956 /nfs/dbraw/zinc/74/49/56/394744956.db2.gz BCRDQUSPLLYMHH-UONOGXRCSA-N 1 2 285.372 2.323 20 30 CEEDLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000414481048 394745352 /nfs/dbraw/zinc/74/53/52/394745352.db2.gz BJQSUTUNDXXRIZ-AVGNSLFASA-N 1 2 250.342 2.000 20 30 CEEDLO Cc1ccc2[nH]c(C[NH+]3CCN(CC#N)CC3)cc2c1C ZINC000335249671 394752944 /nfs/dbraw/zinc/75/29/44/394752944.db2.gz SJTUOBYXJNABBR-UHFFFAOYSA-N 1 2 282.391 2.426 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000362169728 394846940 /nfs/dbraw/zinc/84/69/40/394846940.db2.gz KGPKJOFSUUTPDN-MELADBBJSA-N 1 2 265.401 2.400 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000362169728 394846944 /nfs/dbraw/zinc/84/69/44/394846944.db2.gz KGPKJOFSUUTPDN-MELADBBJSA-N 1 2 265.401 2.400 20 30 CEEDLO C=C(C)C[NH+]1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000362382817 394859121 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ZINC000366546357 394948071 /nfs/dbraw/zinc/94/80/71/394948071.db2.gz ULCMRMZPSPLDGR-STQMWFEESA-N 1 2 279.384 2.231 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000152155983 394988586 /nfs/dbraw/zinc/98/85/86/394988586.db2.gz RNGMAYLTVJORTF-AWEZNQCLSA-N 1 2 279.343 2.090 20 30 CEEDLO C=C(Br)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285759583 394962962 /nfs/dbraw/zinc/96/29/62/394962962.db2.gz XBLZCTWUBLLROH-UHFFFAOYSA-N 1 2 282.185 2.418 20 30 CEEDLO C=C(Br)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285759583 394962964 /nfs/dbraw/zinc/96/29/64/394962964.db2.gz XBLZCTWUBLLROH-UHFFFAOYSA-N 1 2 282.185 2.418 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](C)[S@@]1=O ZINC000285798964 394964809 /nfs/dbraw/zinc/96/48/09/394964809.db2.gz FRUHTMLRJRRXGS-PEELUZDISA-N 1 2 276.405 2.290 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](C)[S@@]1=O ZINC000285798964 394964810 /nfs/dbraw/zinc/96/48/10/394964810.db2.gz FRUHTMLRJRRXGS-PEELUZDISA-N 1 2 276.405 2.290 20 30 CEEDLO 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282.347 2.479 20 30 CEEDLO C#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)C ZINC000288127421 395054043 /nfs/dbraw/zinc/05/40/43/395054043.db2.gz IJBLYTJRIUJWGQ-CQSZACIVSA-N 1 2 282.347 2.045 20 30 CEEDLO Cc1cc(NCCC[C@H]2CCCC[C@H]2O)c(C#N)c[nH+]1 ZINC000425247424 395055039 /nfs/dbraw/zinc/05/50/39/395055039.db2.gz ZOIAZBQPKLWKTE-CZUORRHYSA-N 1 2 273.380 2.427 20 30 CEEDLO Cc1cc(NCc2ccccc2N(C)C)c(C#N)c[nH+]1 ZINC000425257102 395055126 /nfs/dbraw/zinc/05/51/26/395055126.db2.gz QCNZGWKNLWADGM-UHFFFAOYSA-N 1 2 266.348 2.362 20 30 CEEDLO Cc1nc(N(C)[C@@H](C)c2cccc(C#N)c2)nc(N(C)C)[nH+]1 ZINC000425287208 395056619 /nfs/dbraw/zinc/05/66/19/395056619.db2.gz VSHYTTJJGPAJKQ-NSHDSACASA-N 1 2 296.378 2.315 20 30 CEEDLO Cc1nc(N(C)C)nc(N(C)[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000425287208 395056623 /nfs/dbraw/zinc/05/66/23/395056623.db2.gz VSHYTTJJGPAJKQ-NSHDSACASA-N 1 2 296.378 2.315 20 30 CEEDLO C=CC[N@@H+](C)Cc1ncc(I)s1 ZINC000289061380 395069417 /nfs/dbraw/zinc/06/94/17/395069417.db2.gz 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Cc1nn(C)c2ncc(C[NH+]3CCC(F)(C#N)CC3)cc12 ZINC000352458990 395257308 /nfs/dbraw/zinc/25/73/08/395257308.db2.gz RLXQXXITIDMBHT-UHFFFAOYSA-N 1 2 287.342 2.104 20 30 CEEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411240759 395323253 /nfs/dbraw/zinc/32/32/53/395323253.db2.gz PCUQGNJUHHJZQR-SNVBAGLBSA-N 1 2 275.352 2.026 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000419367343 395263839 /nfs/dbraw/zinc/26/38/39/395263839.db2.gz DCISMSCJGMFLHS-CVEARBPZSA-N 1 2 284.359 2.477 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)[S@@]1=O ZINC000352888707 395274566 /nfs/dbraw/zinc/27/45/66/395274566.db2.gz PMOPZHSWDJUVDH-AUJRIZCKSA-N 1 2 290.432 2.484 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)[S@@]1=O ZINC000352888707 395274568 /nfs/dbraw/zinc/27/45/68/395274568.db2.gz PMOPZHSWDJUVDH-AUJRIZCKSA-N 1 2 290.432 2.484 20 30 CEEDLO COC(=O)[C@@H]([NH2+]CCC1(C#N)CCCCC1)C1CC1 ZINC000411605575 395332644 /nfs/dbraw/zinc/33/26/44/395332644.db2.gz QQALWJFMQMMBIZ-ZDUSSCGKSA-N 1 2 264.369 2.392 20 30 CEEDLO C=CCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000448044423 395509050 /nfs/dbraw/zinc/50/90/50/395509050.db2.gz TVTKESGSPKICKZ-CQSZACIVSA-N 1 2 275.352 2.211 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)c1ccccc1 ZINC000568181318 395550005 /nfs/dbraw/zinc/55/00/05/395550005.db2.gz POLLMPKXQUZOSH-STQMWFEESA-N 1 2 259.353 2.320 20 30 CEEDLO CCO[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000449492375 395550747 /nfs/dbraw/zinc/55/07/47/395550747.db2.gz BWCMBJQVMAWOOW-CMPLNLGQSA-N 1 2 265.382 2.262 20 30 CEEDLO CCO[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000449492375 395550748 /nfs/dbraw/zinc/55/07/48/395550748.db2.gz BWCMBJQVMAWOOW-CMPLNLGQSA-N 1 2 265.382 2.262 20 30 CEEDLO CC[C@@H](NCCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569332206 395577100 /nfs/dbraw/zinc/57/71/00/395577100.db2.gz GRUKWWVEASMXSU-IAGOWNOFSA-N 1 2 287.407 2.169 20 30 CEEDLO CC[C@@H](NCCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569332206 395577101 /nfs/dbraw/zinc/57/71/01/395577101.db2.gz GRUKWWVEASMXSU-IAGOWNOFSA-N 1 2 287.407 2.169 20 30 CEEDLO Cc1cc(Cl)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570455518 395582433 /nfs/dbraw/zinc/58/24/33/395582433.db2.gz RKZHHVNLBMICOS-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO C=CC1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000572828570 395589250 /nfs/dbraw/zinc/58/92/50/395589250.db2.gz QUBKIKOGGYRKCA-CQSZACIVSA-N 1 2 288.395 2.479 20 30 CEEDLO CSCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459357285 395666040 /nfs/dbraw/zinc/66/60/40/395666040.db2.gz DIMWHODEIHJWKV-UHFFFAOYSA-N 1 2 265.338 2.261 20 30 CEEDLO CSCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459357285 395666041 /nfs/dbraw/zinc/66/60/41/395666041.db2.gz DIMWHODEIHJWKV-UHFFFAOYSA-N 1 2 265.338 2.261 20 30 CEEDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459461568 395666140 /nfs/dbraw/zinc/66/61/40/395666140.db2.gz KGCOLVXPWGXUEX-TXEJJXNPSA-N 1 2 275.308 2.076 20 30 CEEDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459461568 395666141 /nfs/dbraw/zinc/66/61/41/395666141.db2.gz KGCOLVXPWGXUEX-TXEJJXNPSA-N 1 2 275.308 2.076 20 30 CEEDLO N#Cc1ccc(C[NH+]2CC(CCO)C2)c(C(F)(F)F)c1 ZINC000459592041 395666346 /nfs/dbraw/zinc/66/63/46/395666346.db2.gz MJDCYGBRZWOMLA-UHFFFAOYSA-N 1 2 284.281 2.391 20 30 CEEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487893750 395667659 /nfs/dbraw/zinc/66/76/59/395667659.db2.gz FVQLCIJVEZRVOQ-AWEZNQCLSA-N 1 2 258.321 2.004 20 30 CEEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487893750 395667660 /nfs/dbraw/zinc/66/76/60/395667660.db2.gz FVQLCIJVEZRVOQ-AWEZNQCLSA-N 1 2 258.321 2.004 20 30 CEEDLO Cc1cc(NCCCc2[nH+]cccc2C)c(C#N)cn1 ZINC000425271114 400574526 /nfs/dbraw/zinc/57/45/26/400574526.db2.gz UUDWIPRLIRONLO-UHFFFAOYSA-N 1 2 266.348 2.432 20 30 CEEDLO C=CCn1cccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000488990125 400586792 /nfs/dbraw/zinc/58/67/92/400586792.db2.gz ZFSIRKIUPHSDSH-UHFFFAOYSA-N 1 2 284.363 2.301 20 30 CEEDLO C=CC[C@H](CC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651972518 401425995 /nfs/dbraw/zinc/42/59/95/401425995.db2.gz BGZSIKGSFXUINT-LBPRGKRZSA-N 1 2 261.369 2.233 20 30 CEEDLO Cc1ccc(NC(=O)c2ccnc(C#N)c2)c(C)[nH+]1 ZINC000193498308 153235626 /nfs/dbraw/zinc/23/56/26/153235626.db2.gz YALFKAHCWGYLAV-UHFFFAOYSA-N 1 2 252.277 2.217 20 30 CEEDLO COc1cc(C[NH2+]Cc2cc(C)on2)ccc1C#N ZINC000234925688 153430809 /nfs/dbraw/zinc/43/08/09/153430809.db2.gz ONORTHYUSCERQI-UHFFFAOYSA-N 1 2 257.293 2.153 20 30 CEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000313292794 154209730 /nfs/dbraw/zinc/20/97/30/154209730.db2.gz LVRGQPHZECAOMF-UHFFFAOYSA-N 1 2 279.290 2.228 20 30 CEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000313292794 154209737 /nfs/dbraw/zinc/20/97/37/154209737.db2.gz LVRGQPHZECAOMF-UHFFFAOYSA-N 1 2 279.290 2.228 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000353449719 287002284 /nfs/dbraw/zinc/00/22/84/287002284.db2.gz RSMDODFXXQSXOD-MGPQQGTHSA-N 1 2 265.401 2.257 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000353449719 287002286 /nfs/dbraw/zinc/00/22/86/287002286.db2.gz RSMDODFXXQSXOD-MGPQQGTHSA-N 1 2 265.401 2.257 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000182263329 165368206 /nfs/dbraw/zinc/36/82/06/165368206.db2.gz XTBUXAYXTQMJDJ-AWEZNQCLSA-N 1 2 288.347 2.094 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000182263329 165368209 /nfs/dbraw/zinc/36/82/09/165368209.db2.gz XTBUXAYXTQMJDJ-AWEZNQCLSA-N 1 2 288.347 2.094 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000008122223 170320220 /nfs/dbraw/zinc/32/02/20/170320220.db2.gz HJRDRFMOGGCLJG-UHFFFAOYSA-N 1 2 268.744 2.405 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000008122223 170320222 /nfs/dbraw/zinc/32/02/22/170320222.db2.gz HJRDRFMOGGCLJG-UHFFFAOYSA-N 1 2 268.744 2.405 20 30 CEEDLO C=CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000660285183 414754494 /nfs/dbraw/zinc/75/44/94/414754494.db2.gz CFBXVSKQIBRPCH-CQSZACIVSA-N 1 2 284.363 2.385 20 30 CEEDLO Clc1ccccc1C#CCN1CCn2c[nH+]cc2C1 ZINC000660581467 414885301 /nfs/dbraw/zinc/88/53/01/414885301.db2.gz ACGWYFJXJVAIIV-UHFFFAOYSA-N 1 2 271.751 2.404 20 30 CEEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H](C)COC ZINC000661240642 415150699 /nfs/dbraw/zinc/15/06/99/415150699.db2.gz PNIPQMZSVVHHJE-CYBMUJFWSA-N 1 2 264.369 2.422 20 30 CEEDLO C=CC[N@H+](Cc1cc2n(n1)CCCC2)[C@@H](C)COC ZINC000661241037 415152028 /nfs/dbraw/zinc/15/20/28/415152028.db2.gz VUXUCUAPDVXALC-ZDUSSCGKSA-N 1 2 263.385 2.242 20 30 CEEDLO C=CC[N@@H+](Cc1cc2n(n1)CCCC2)[C@@H](C)COC ZINC000661241037 415152033 /nfs/dbraw/zinc/15/20/33/415152033.db2.gz VUXUCUAPDVXALC-ZDUSSCGKSA-N 1 2 263.385 2.242 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000661234558 415147386 /nfs/dbraw/zinc/14/73/86/415147386.db2.gz NVAINGIJQSSBLE-NSHDSACASA-N 1 2 264.373 2.383 20 30 CEEDLO C=CC[C@H]1CCCC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664143896 415192378 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C=CCCC(C)(C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000664928170 415524271 /nfs/dbraw/zinc/52/42/71/415524271.db2.gz YEMGLACIVXHWRI-NSHDSACASA-N 1 2 276.384 2.311 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000662079916 415614462 /nfs/dbraw/zinc/61/44/62/415614462.db2.gz LJVGUFAXPMNWOT-QGZVFWFLSA-N 1 2 299.374 2.453 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000662079916 415614468 /nfs/dbraw/zinc/61/44/68/415614468.db2.gz LJVGUFAXPMNWOT-QGZVFWFLSA-N 1 2 299.374 2.453 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662091875 415622381 /nfs/dbraw/zinc/62/23/81/415622381.db2.gz NBNAYOYHYFDZCV-UPJWGTAASA-N 1 2 274.368 2.374 20 30 CEEDLO C=CCC1(NC(=O)NCCc2cn(C)c[nH+]2)CCCC1 ZINC000665108436 415587587 /nfs/dbraw/zinc/58/75/87/415587587.db2.gz HUCKYLLAWLSDOZ-UHFFFAOYSA-N 1 2 276.384 2.151 20 30 CEEDLO C=CCN1C(=O)c2ccccc2N[C@H]1c1c[nH]c[nH+]1 ZINC000078752369 177381616 /nfs/dbraw/zinc/38/16/16/177381616.db2.gz JEEUTBDKGGNMMG-CYBMUJFWSA-N 1 2 254.293 2.162 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185889222 224709220 /nfs/dbraw/zinc/70/92/20/224709220.db2.gz GAYXPJHYTLIRGL-UTUOFQBUSA-N 1 2 252.358 2.389 20 30 CEEDLO CC[C@@H]1[C@H](C)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329618494 287352161 /nfs/dbraw/zinc/35/21/61/287352161.db2.gz QMBCEUPEDBNVEV-JTNHKYCSSA-N 1 2 276.384 2.301 20 30 CEEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)CCC#N ZINC000344654258 225134719 /nfs/dbraw/zinc/13/47/19/225134719.db2.gz LLZXWSWCXYILTI-GFCCVEGCSA-N 1 2 297.362 2.249 20 30 CEEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000334672856 225243198 /nfs/dbraw/zinc/24/31/98/225243198.db2.gz QNRUCOPBCOSEON-GFCCVEGCSA-N 1 2 291.782 2.144 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@H](O)CC1(C#N)CCOCC1 ZINC000601956400 419421953 /nfs/dbraw/zinc/42/19/53/419421953.db2.gz ZLIUWTRNRZGUFA-CQSZACIVSA-N 1 2 299.374 2.416 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000299284848 260180131 /nfs/dbraw/zinc/18/01/31/260180131.db2.gz VWHHEWMEOAZUKX-CQSZACIVSA-N 1 2 299.374 2.470 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000517583102 260195432 /nfs/dbraw/zinc/19/54/32/260195432.db2.gz HKEQYHDNRDCGII-QWRGUYRKSA-N 1 2 289.335 2.024 20 30 CEEDLO C#C[C@@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000374265752 260253763 /nfs/dbraw/zinc/25/37/63/260253763.db2.gz OYTCUIQIDBVOQU-ZIAGYGMSSA-N 1 2 288.395 2.026 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000408160652 260332059 /nfs/dbraw/zinc/33/20/59/260332059.db2.gz WRJJSYRSSBWQTE-BBRMVZONSA-N 1 2 290.411 2.055 20 30 CEEDLO C[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccccc1 ZINC000081573304 260335353 /nfs/dbraw/zinc/33/53/53/260335353.db2.gz AFCYCRUADLCPGC-KKXDTOCCSA-N 1 2 297.402 2.488 20 30 CEEDLO C[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccccc1 ZINC000081573304 260335355 /nfs/dbraw/zinc/33/53/55/260335355.db2.gz AFCYCRUADLCPGC-KKXDTOCCSA-N 1 2 297.402 2.488 20 30 CEEDLO Cc1noc(C)c1CO[NH+]=C(N)COc1ccccc1F ZINC000186866083 262113577 /nfs/dbraw/zinc/11/35/77/262113577.db2.gz PASYLUUMRBEPFJ-UHFFFAOYSA-N 1 2 293.298 2.298 20 30 CEEDLO Cc1cccn2cc(C[S@](=O)CCCC#N)[nH+]c12 ZINC000190817034 262185984 /nfs/dbraw/zinc/18/59/84/262185984.db2.gz AXWHSDQROHRYEF-GOSISDBHSA-N 1 2 261.350 2.195 20 30 CEEDLO C#CCCCC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365407567 262364367 /nfs/dbraw/zinc/36/43/67/262364367.db2.gz XIIWHQODFTYTKL-UHFFFAOYSA-N 1 2 285.391 2.312 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338390346 262533457 /nfs/dbraw/zinc/53/34/57/262533457.db2.gz WNBIHOJFFYUPCZ-GFCCVEGCSA-N 1 2 271.364 2.170 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338390346 262533458 /nfs/dbraw/zinc/53/34/58/262533458.db2.gz WNBIHOJFFYUPCZ-GFCCVEGCSA-N 1 2 271.364 2.170 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000338642200 262552687 /nfs/dbraw/zinc/55/26/87/262552687.db2.gz RXAHSAXQPWEELT-UHFFFAOYSA-N 1 2 264.394 2.359 20 30 CEEDLO CCc1oc(C[NH2+]CC(C)(C)C#N)cc1C(=O)OC ZINC000338933027 262572437 /nfs/dbraw/zinc/57/24/37/262572437.db2.gz GZXYOKSUZIFIRH-UHFFFAOYSA-N 1 2 264.325 2.268 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000272556675 263006665 /nfs/dbraw/zinc/00/66/65/263006665.db2.gz LICRRROUOBWDBH-UHFFFAOYSA-N 1 2 272.308 2.455 20 30 CEEDLO N#CCCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000273168528 263013562 /nfs/dbraw/zinc/01/35/62/263013562.db2.gz DMWXDAIAWRWGGE-UHFFFAOYSA-N 1 2 297.362 2.250 20 30 CEEDLO N#CC1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CCC1 ZINC000273634363 263018657 /nfs/dbraw/zinc/01/86/57/263018657.db2.gz BCJGNKVSNSASTO-UHFFFAOYSA-N 1 2 279.303 2.253 20 30 CEEDLO Oc1ccccc1/C=[NH+]/CCc1cn2c(n1)SCC2 ZINC000274337583 263023156 /nfs/dbraw/zinc/02/31/56/263023156.db2.gz NRAMZWCSLRYXGV-OQLLNIDSSA-N 1 2 273.361 2.356 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278571850 263049168 /nfs/dbraw/zinc/04/91/68/263049168.db2.gz JIWPRGNMMIOEEY-GJZGRUSLSA-N 1 2 288.395 2.101 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCC#N)CCC(C)C ZINC000279539310 263056017 /nfs/dbraw/zinc/05/60/17/263056017.db2.gz WRRPRCNIIIRSQE-UHFFFAOYSA-N 1 2 262.357 2.049 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cccc(-n2cc[nH+]c2)n1 ZINC000366607040 263070065 /nfs/dbraw/zinc/07/00/65/263070065.db2.gz IDXIKDSLEPQASI-XJKSGUPXSA-N 1 2 284.363 2.082 20 30 CEEDLO Cc1cccc(C)c1OCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284514595 263086981 /nfs/dbraw/zinc/08/69/81/263086981.db2.gz UJJBAYANWLDNPQ-CYBMUJFWSA-N 1 2 278.352 2.150 20 30 CEEDLO NC(=[NH+]OCc1coc(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000284502314 263087052 /nfs/dbraw/zinc/08/70/52/263087052.db2.gz SZKLTSBGHSNSMU-CYBMUJFWSA-N 1 2 287.319 2.309 20 30 CEEDLO CCOC1CC(CO[NH+]=C(N)COc2ccccc2)C1 ZINC000285357563 263092404 /nfs/dbraw/zinc/09/24/04/263092404.db2.gz ZWMPKXQHPRESBM-UHFFFAOYSA-N 1 2 278.352 2.169 20 30 CEEDLO COc1ccc([NH2+]CCC(C)(C)C#N)cc1-n1cnnn1 ZINC000288788159 263106026 /nfs/dbraw/zinc/10/60/26/263106026.db2.gz XJVYQADWJDZTRS-UHFFFAOYSA-N 1 2 286.339 2.023 20 30 CEEDLO C[NH+](C)[C@H](CNC(=O)CCCC#N)c1c(F)cccc1F ZINC000291649929 263124611 /nfs/dbraw/zinc/12/46/11/263124611.db2.gz IDAIQWZTYTXGQY-CYBMUJFWSA-N 1 2 295.333 2.378 20 30 CEEDLO C=CCN(CCC#N)Cc1[nH+]ccc(OC)c1OC ZINC000292097554 263128398 /nfs/dbraw/zinc/12/83/98/263128398.db2.gz GCDVMUPXTARYRN-UHFFFAOYSA-N 1 2 261.325 2.000 20 30 CEEDLO C=CC[N@H+](CCC#N)CCN1CCc2ccccc21 ZINC000292263811 263130372 /nfs/dbraw/zinc/13/03/72/263130372.db2.gz RQCXUWPXUNGEGE-UHFFFAOYSA-N 1 2 255.365 2.451 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCN1CCc2ccccc21 ZINC000292263811 263130373 /nfs/dbraw/zinc/13/03/73/263130373.db2.gz RQCXUWPXUNGEGE-UHFFFAOYSA-N 1 2 255.365 2.451 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000292790000 263135027 /nfs/dbraw/zinc/13/50/27/263135027.db2.gz MFIQGEYVKNYOFH-AWEZNQCLSA-N 1 2 269.352 2.108 20 30 CEEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000294907043 263169146 /nfs/dbraw/zinc/16/91/46/263169146.db2.gz FXCWKKKITPMABQ-KGLIPLIRSA-N 1 2 281.363 2.439 20 30 CEEDLO COc1cc(F)c([C@H](C)[NH2+]CCC#N)cc1OC ZINC000298751752 263225034 /nfs/dbraw/zinc/22/50/34/263225034.db2.gz CIXDGRAWXNGCCA-VIFPVBQESA-N 1 2 252.289 2.407 20 30 CEEDLO C=CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000340975580 263316836 /nfs/dbraw/zinc/31/68/36/263316836.db2.gz JJKOYFJXNWEJOB-ZDUSSCGKSA-N 1 2 255.321 2.234 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2nc(C)cs2)CC1 ZINC000342002366 263376431 /nfs/dbraw/zinc/37/64/31/263376431.db2.gz XURWCHLOUVNWPJ-UHFFFAOYSA-N 1 2 265.382 2.204 20 30 CEEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000341987100 263381020 /nfs/dbraw/zinc/38/10/20/263381020.db2.gz GPDGPUQKFQNTES-NSHDSACASA-N 1 2 290.367 2.260 20 30 CEEDLO C=CC[C@H](CO)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000342180085 263394052 /nfs/dbraw/zinc/39/40/52/263394052.db2.gz ASAYVRKKDFGQSQ-AWEZNQCLSA-N 1 2 299.374 2.095 20 30 CEEDLO C=CC[C@@H](CO)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000342180086 263394296 /nfs/dbraw/zinc/39/42/96/263394296.db2.gz ASAYVRKKDFGQSQ-CQSZACIVSA-N 1 2 299.374 2.095 20 30 CEEDLO CC(C)[C@H](C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000330715630 264022311 /nfs/dbraw/zinc/02/23/11/264022311.db2.gz YHDWKFCWNVCPDP-LLVKDONJSA-N 1 2 252.362 2.058 20 30 CEEDLO Cc1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330802135 264042087 /nfs/dbraw/zinc/04/20/87/264042087.db2.gz AOAUFFXEUVGYSN-JSGCOSHPSA-N 1 2 257.337 2.215 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000330820770 264047171 /nfs/dbraw/zinc/04/71/71/264047171.db2.gz HDOWZTLRHLKZBE-GXFFZTMASA-N 1 2 261.300 2.046 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(F)c1 ZINC000330865774 264057328 /nfs/dbraw/zinc/05/73/28/264057328.db2.gz XMNGIQPYUYLHNO-MISXGVKJSA-N 1 2 275.327 2.435 20 30 CEEDLO CCCc1occc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330943134 264084192 /nfs/dbraw/zinc/08/41/92/264084192.db2.gz HGUVIKUWQBUVCD-LBPRGKRZSA-N 1 2 280.368 2.257 20 30 CEEDLO 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BXOXGZUFGKZQKW-LBPRGKRZSA-N 1 2 295.346 2.032 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC000435603479 330658821 /nfs/dbraw/zinc/65/88/21/330658821.db2.gz IVTMWJKWEPKTHQ-XJKSGUPXSA-N 1 2 287.407 2.479 20 30 CEEDLO C=CC(C)(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000448705031 330812568 /nfs/dbraw/zinc/81/25/68/330812568.db2.gz RHUBSBRLYZSTOK-UHFFFAOYSA-N 1 2 273.380 2.379 20 30 CEEDLO C=CC[N@@H+]1CCN(Cc2ccccc2)C(=O)C1(C)C ZINC000451156001 331017987 /nfs/dbraw/zinc/01/79/87/331017987.db2.gz RERPSUQJYZSEOH-UHFFFAOYSA-N 1 2 258.365 2.295 20 30 CEEDLO C=CC[N@H+]1CCN(Cc2ccccc2)C(=O)C1(C)C ZINC000451156001 331017988 /nfs/dbraw/zinc/01/79/88/331017988.db2.gz RERPSUQJYZSEOH-UHFFFAOYSA-N 1 2 258.365 2.295 20 30 CEEDLO C=C(C)CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000452718079 331073225 /nfs/dbraw/zinc/07/32/25/331073225.db2.gz OFNKGFOETYGJQL-UHFFFAOYSA-N 1 2 257.337 2.427 20 30 CEEDLO C=C(CC)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000456809038 331204609 /nfs/dbraw/zinc/20/46/09/331204609.db2.gz AFMOFNJLPCCLGR-ZIAGYGMSSA-N 1 2 273.380 2.236 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)CC#N)C1CC1 ZINC000458755125 331259141 /nfs/dbraw/zinc/25/91/41/331259141.db2.gz DRHLYBPGWKCMST-LBPRGKRZSA-N 1 2 289.383 2.110 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CC(OC)C2)cc1OC ZINC000459575790 331288839 /nfs/dbraw/zinc/28/88/39/331288839.db2.gz FFTWXDIVUCZYDQ-UHFFFAOYSA-N 1 2 263.337 2.091 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000491126108 332153892 /nfs/dbraw/zinc/15/38/92/332153892.db2.gz KUNNQABTTQIXPB-UHFFFAOYSA-N 1 2 254.337 2.111 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000491126108 332153894 /nfs/dbraw/zinc/15/38/94/332153894.db2.gz KUNNQABTTQIXPB-UHFFFAOYSA-N 1 2 254.337 2.111 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000491299474 332185225 /nfs/dbraw/zinc/18/52/25/332185225.db2.gz ZMRRMTNUDUSBBE-HNNXBMFYSA-N 1 2 295.386 2.073 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000491299474 332185227 /nfs/dbraw/zinc/18/52/27/332185227.db2.gz ZMRRMTNUDUSBBE-HNNXBMFYSA-N 1 2 295.386 2.073 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc(C#N)c(OC)c1 ZINC000491338548 332192447 /nfs/dbraw/zinc/19/24/47/332192447.db2.gz JKXGANMYQDXWAC-UHFFFAOYSA-N 1 2 252.317 2.025 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C#N)c(OC)c1 ZINC000491338548 332192448 /nfs/dbraw/zinc/19/24/48/332192448.db2.gz JKXGANMYQDXWAC-UHFFFAOYSA-N 1 2 252.317 2.025 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491569425 332240252 /nfs/dbraw/zinc/24/02/52/332240252.db2.gz VYXVHVJIERJYJS-DNGMOHDESA-N 1 2 279.343 2.366 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000491728707 332311333 /nfs/dbraw/zinc/31/13/33/332311333.db2.gz BINKCIQNSHNRFL-GFCCVEGCSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000491728707 332311334 /nfs/dbraw/zinc/31/13/34/332311334.db2.gz BINKCIQNSHNRFL-GFCCVEGCSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000491780660 332345129 /nfs/dbraw/zinc/34/51/29/332345129.db2.gz MAUMUTHMNUELMG-LBPRGKRZSA-N 1 2 274.389 2.079 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000491780660 332345130 /nfs/dbraw/zinc/34/51/30/332345130.db2.gz MAUMUTHMNUELMG-LBPRGKRZSA-N 1 2 274.389 2.079 20 30 CEEDLO C#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000491792965 332353384 /nfs/dbraw/zinc/35/33/84/332353384.db2.gz IRBPHIUTKCVVSH-AWEZNQCLSA-N 1 2 285.391 2.240 20 30 CEEDLO C#CC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000491801273 332355514 /nfs/dbraw/zinc/35/55/14/332355514.db2.gz CCCCNWBICHNMLA-UHFFFAOYSA-N 1 2 284.384 2.482 20 30 CEEDLO C#CC[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000491801273 332355515 /nfs/dbraw/zinc/35/55/15/332355515.db2.gz CCCCNWBICHNMLA-UHFFFAOYSA-N 1 2 284.384 2.482 20 30 CEEDLO C#C[C@@H](CC)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491814608 332366140 /nfs/dbraw/zinc/36/61/40/332366140.db2.gz SIMSCBPMTSNBEU-LSDHHAIUSA-N 1 2 281.359 2.460 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)CCSC ZINC000493083217 332425695 /nfs/dbraw/zinc/42/56/95/332425695.db2.gz JCUSLGARBLHMHU-GEXIGZQTSA-N 1 2 292.408 2.068 20 30 CEEDLO C#Cc1cccc(N(CC)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493835964 332455902 /nfs/dbraw/zinc/45/59/02/332455902.db2.gz KYLSMHAPYONJHC-CMDGGOBGSA-N 1 2 265.316 2.457 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000494720720 332484312 /nfs/dbraw/zinc/48/43/12/332484312.db2.gz IXVRYGWZJRJGKU-CQSZACIVSA-N 1 2 288.395 2.398 20 30 CEEDLO C=CC[C@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000186204516 333156771 /nfs/dbraw/zinc/15/67/71/333156771.db2.gz NLQYIQBCNYOAPP-HNNXBMFYSA-N 1 2 269.348 2.359 20 30 CEEDLO C=CC1CC[NH+](Cc2coc(S(C)(=O)=O)c2)CC1 ZINC000528376576 333432190 /nfs/dbraw/zinc/43/21/90/333432190.db2.gz BLITZHTZOYTRQF-UHFFFAOYSA-N 1 2 269.366 2.081 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528399206 333434259 /nfs/dbraw/zinc/43/42/59/333434259.db2.gz 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/nfs/dbraw/zinc/71/92/70/335719270.db2.gz XHZYZSIKDADSTC-GOSISDBHSA-N 1 2 295.386 2.342 20 30 CEEDLO N#CC1(C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000579789708 335883957 /nfs/dbraw/zinc/88/39/57/335883957.db2.gz CJOYPYFPGKJEMM-UHFFFAOYSA-N 1 2 252.321 2.266 20 30 CEEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184318806 335923378 /nfs/dbraw/zinc/92/33/78/335923378.db2.gz XCYARWSKASGNJF-STQMWFEESA-N 1 2 271.401 2.269 20 30 CEEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1(C#N)CCC1 ZINC000194134764 336003280 /nfs/dbraw/zinc/00/32/80/336003280.db2.gz GSMGVGNCVOIXOP-UHFFFAOYSA-N 1 2 280.331 2.391 20 30 CEEDLO C=CCN(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000573018100 500576289 /nfs/dbraw/zinc/57/62/89/500576289.db2.gz ZMWKQUVLLMEDBS-SECBINFHSA-N 1 2 275.274 2.101 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000355014209 533725980 /nfs/dbraw/zinc/72/59/80/533725980.db2.gz GTWSVRBOSMVQFC-UHFFFAOYSA-N 1 2 254.293 2.161 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000178532800 533732902 /nfs/dbraw/zinc/73/29/02/533732902.db2.gz NEWVVAWGSFWKQB-UHFFFAOYSA-N 1 2 283.335 2.275 20 30 CEEDLO Cc1cc(C)c(NC(=O)N2CC(C)(C#N)C2)c(C)[nH+]1 ZINC000334705368 534074101 /nfs/dbraw/zinc/07/41/01/534074101.db2.gz HBHOMKLPEFTAEO-UHFFFAOYSA-N 1 2 258.325 2.384 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000293299502 517344624 /nfs/dbraw/zinc/34/46/24/517344624.db2.gz WKGKRNYXTYACLF-ZDUSSCGKSA-N 1 2 254.337 2.283 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000293299502 517344635 /nfs/dbraw/zinc/34/46/35/517344635.db2.gz WKGKRNYXTYACLF-ZDUSSCGKSA-N 1 2 254.337 2.283 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1 ZINC000332363132 534717692 /nfs/dbraw/zinc/71/76/92/534717692.db2.gz VKBBZWXFLYWRPO-CQSZACIVSA-N 1 2 298.346 2.221 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1 ZINC000332363132 534717696 /nfs/dbraw/zinc/71/76/96/534717696.db2.gz VKBBZWXFLYWRPO-CQSZACIVSA-N 1 2 298.346 2.221 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000332010882 534751172 /nfs/dbraw/zinc/75/11/72/534751172.db2.gz XZFPHHVJPOOQSR-QMTHXVAHSA-N 1 2 276.311 2.474 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1(C#N)CC1 ZINC000352813232 526558891 /nfs/dbraw/zinc/55/88/91/526558891.db2.gz CCZJRJXXPMSYPA-UHFFFAOYSA-N 1 2 260.337 2.454 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1(C#N)CC1 ZINC000352813232 526558899 /nfs/dbraw/zinc/55/88/99/526558899.db2.gz CCZJRJXXPMSYPA-UHFFFAOYSA-N 1 2 260.337 2.454 20 30 CEEDLO C=CCOCCC[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000347970815 526754175 /nfs/dbraw/zinc/75/41/75/526754175.db2.gz WYQGDVNQDPUYMM-GFCCVEGCSA-N 1 2 251.330 2.108 20 30 CEEDLO C=CCOCCC[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000347970815 526754177 /nfs/dbraw/zinc/75/41/77/526754177.db2.gz WYQGDVNQDPUYMM-GFCCVEGCSA-N 1 2 251.330 2.108 20 30 CEEDLO C=C(CC)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000352199906 526853193 /nfs/dbraw/zinc/85/31/93/526853193.db2.gz FXXVOMFHVRGQNI-UHFFFAOYSA-N 1 2 276.409 2.411 20 30 CEEDLO C=C1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000335316824 526893585 /nfs/dbraw/zinc/89/35/85/526893585.db2.gz RAXQPRKQGIGXGQ-UHFFFAOYSA-N 1 2 272.339 2.142 20 30 CEEDLO C=C[C@H](C)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355031841 527557058 /nfs/dbraw/zinc/55/70/58/527557058.db2.gz BHHIHALWZVIIBK-ZDUSSCGKSA-N 1 2 269.348 2.165 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000347218193 527727148 /nfs/dbraw/zinc/72/71/48/527727148.db2.gz HYVRAQIRDDOYJW-LLVKDONJSA-N 1 2 252.358 2.342 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000347218193 527727155 /nfs/dbraw/zinc/72/71/55/527727155.db2.gz HYVRAQIRDDOYJW-LLVKDONJSA-N 1 2 252.358 2.342 20 30 CEEDLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)[C@H](C)CC ZINC000346953345 527806722 /nfs/dbraw/zinc/80/67/22/527806722.db2.gz WOVOEJTZABIINV-NEPJUHHUSA-N 1 2 254.374 2.494 20 30 CEEDLO CCC1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330176858 529033237 /nfs/dbraw/zinc/03/32/37/529033237.db2.gz CNZCEJNUBDATJW-LBPRGKRZSA-N 1 2 276.384 2.282 20 30 CEEDLO CCC1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330176858 529033241 /nfs/dbraw/zinc/03/32/41/529033241.db2.gz CNZCEJNUBDATJW-LBPRGKRZSA-N 1 2 276.384 2.282 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(F)c1 ZINC000726882996 574431580 /nfs/dbraw/zinc/43/15/80/574431580.db2.gz ZBJQZUHIFIIPEX-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c(F)c1 ZINC000726882996 574431581 /nfs/dbraw/zinc/43/15/81/574431581.db2.gz ZBJQZUHIFIIPEX-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO C=CCn1nnn(C[NH+]2CCC(C)(C)CC2)c1=S ZINC000726967224 574441816 /nfs/dbraw/zinc/44/18/16/574441816.db2.gz YQBGLKVAFKZJEU-UHFFFAOYSA-N 1 2 267.402 2.075 20 30 CEEDLO Cn1cc[nH+]c1CN=Nc1ncccc1C(F)(F)F ZINC000727255164 574449625 /nfs/dbraw/zinc/44/96/25/574449625.db2.gz JQBPOCPWFLAVRF-UHFFFAOYSA-N 1 2 269.230 2.280 20 30 CEEDLO Cc1cc(CO[NH+]=C(N)c2ccc(Cl)cc2)no1 ZINC000727487389 574452383 /nfs/dbraw/zinc/45/23/83/574452383.db2.gz PRTFOSBJJROAPQ-UHFFFAOYSA-N 1 2 265.700 2.474 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)cc1 ZINC000730095311 574501168 /nfs/dbraw/zinc/50/11/68/574501168.db2.gz AKFRARAGFIIUNW-HNNXBMFYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)cc1 ZINC000730095311 574501169 /nfs/dbraw/zinc/50/11/69/574501169.db2.gz AKFRARAGFIIUNW-HNNXBMFYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000730095548 574501343 /nfs/dbraw/zinc/50/13/43/574501343.db2.gz LBPDPZMFXYAWKN-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000730095548 574501345 /nfs/dbraw/zinc/50/13/45/574501345.db2.gz LBPDPZMFXYAWKN-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](SCC)C1 ZINC000732565728 574623317 /nfs/dbraw/zinc/62/33/17/574623317.db2.gz ALAWQVHWWJIDJB-CABCVRRESA-N 1 2 294.464 2.218 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](SCC)C1 ZINC000732565728 574623318 /nfs/dbraw/zinc/62/33/18/574623318.db2.gz ALAWQVHWWJIDJB-CABCVRRESA-N 1 2 294.464 2.218 20 30 CEEDLO Cc1cc(C)nc(N=NCc2c[nH+]c3ccccn23)n1 ZINC000755453616 574687136 /nfs/dbraw/zinc/68/71/36/574687136.db2.gz AIVGSOCHBPLIMS-UHFFFAOYSA-N 1 2 266.308 2.187 20 30 CEEDLO C=CCn1c(C)nn(C[NH+]2CCC(O)(CC)CC2)c1=S ZINC000742175745 574835931 /nfs/dbraw/zinc/83/59/31/574835931.db2.gz MPBMDAXFSLBRSG-UHFFFAOYSA-N 1 2 296.440 2.103 20 30 CEEDLO Cn1cc[nH+]c1CN=Nc1cccc(C(F)(F)F)n1 ZINC000739421174 574917794 /nfs/dbraw/zinc/91/77/94/574917794.db2.gz FMHHDVRDOIBCSQ-UHFFFAOYSA-N 1 2 269.230 2.280 20 30 CEEDLO C=C(Cl)COC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741335755 574982922 /nfs/dbraw/zinc/98/29/22/574982922.db2.gz GUFMTQBTBKTTFH-UHFFFAOYSA-N 1 2 295.766 2.428 20 30 CEEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)c2ccc(Cl)cc2)o1 ZINC000742352853 575015540 /nfs/dbraw/zinc/01/55/40/575015540.db2.gz FNAZOEQHZKNCDS-SSDOTTSWSA-N 1 2 280.715 2.430 20 30 CEEDLO Oc1ccc(/C=[NH+]\C[C@H]2COc3ccccc3C2)c(O)c1O ZINC000747713190 575174020 /nfs/dbraw/zinc/17/40/20/575174020.db2.gz QCCXOKUZMQYSHX-HCGGYXKBSA-N 1 2 299.326 2.474 20 30 CEEDLO COCCO[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000748789325 575196042 /nfs/dbraw/zinc/19/60/42/575196042.db2.gz FWDNFLJNBQOMNK-UHFFFAOYSA-N 1 2 298.770 2.174 20 30 CEEDLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787036 575234482 /nfs/dbraw/zinc/23/44/82/575234482.db2.gz CLEQQRQGQVGMHR-UWVGGRQHSA-N 1 2 297.786 2.280 20 30 CEEDLO Cn1nncc1C=NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000751131480 575283235 /nfs/dbraw/zinc/28/32/35/575283235.db2.gz QBAZELATTUTVSG-UHFFFAOYSA-N 1 2 286.726 2.463 20 30 CEEDLO C#C[C@@H](CC)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000752930044 575316605 /nfs/dbraw/zinc/31/66/05/575316605.db2.gz VNPXLOUIMVJASW-JTQLQIEISA-N 1 2 257.341 2.405 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)ccc1OC ZINC000878699388 651167821 /nfs/dbraw/zinc/16/78/21/651167821.db2.gz QURCPBHOVKVLHD-ZDUSSCGKSA-N 1 2 276.336 2.264 20 30 CEEDLO C=C(Cl)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000823883328 609341708 /nfs/dbraw/zinc/34/17/08/609341708.db2.gz OOFFPOBDZJOICS-MRVPVSSYSA-N 1 2 281.722 2.409 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(F)(F)F)CC1 ZINC000980790245 613373461 /nfs/dbraw/zinc/37/34/61/613373461.db2.gz VEFQBVFAQOGTON-UHFFFAOYSA-N 1 2 284.709 2.226 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(F)(F)F)CC1 ZINC000980790245 613373462 /nfs/dbraw/zinc/37/34/62/613373462.db2.gz VEFQBVFAQOGTON-UHFFFAOYSA-N 1 2 284.709 2.226 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccoc2CCC)C1 ZINC000957137099 612992567 /nfs/dbraw/zinc/99/25/67/612992567.db2.gz VKNMZDOIIWTIBO-UHFFFAOYSA-N 1 2 288.391 2.402 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000948965140 613279956 /nfs/dbraw/zinc/27/99/56/613279956.db2.gz GISGOIMELNVSIL-DLBZAZTESA-N 1 2 294.398 2.135 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000948965140 613279958 /nfs/dbraw/zinc/27/99/58/613279958.db2.gz GISGOIMELNVSIL-DLBZAZTESA-N 1 2 294.398 2.135 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccn3ccnc23)C1 ZINC000953833629 613296806 /nfs/dbraw/zinc/29/68/06/613296806.db2.gz NXXUAVKEHHUTMO-UHFFFAOYSA-N 1 2 298.390 2.057 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2O)C1 ZINC000949684242 613297024 /nfs/dbraw/zinc/29/70/24/613297024.db2.gz JNELHKREIWDSSG-UHFFFAOYSA-N 1 2 274.364 2.115 20 30 CEEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3nc[nH]c32)C1 ZINC000970635232 613300423 /nfs/dbraw/zinc/30/04/23/613300423.db2.gz VTVSVNNEYYQSQH-GFCCVEGCSA-N 1 2 298.390 2.189 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)c2cccnc2)CC1 ZINC000949012864 613315407 /nfs/dbraw/zinc/31/54/07/613315407.db2.gz OSRSHOLZBJRIEA-UHFFFAOYSA-N 1 2 287.407 2.080 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C(C)(F)F)CC2)CC1 ZINC000950548727 613315639 /nfs/dbraw/zinc/31/56/39/613315639.db2.gz PWADRRAZVJZPHA-UHFFFAOYSA-N 1 2 272.339 2.142 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC000949241443 613318793 /nfs/dbraw/zinc/31/87/93/613318793.db2.gz XEEGDEWTYQZBIY-NVXWUHKLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000949941364 613319959 /nfs/dbraw/zinc/31/99/59/613319959.db2.gz WRZBMQBMAWTCPQ-UHFFFAOYSA-N 1 2 298.308 2.438 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccn(C)c2C)C1 ZINC000970391992 613371879 /nfs/dbraw/zinc/37/18/79/613371879.db2.gz WZJXEZVDPUSLMU-LLVKDONJSA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2scnc2C)C1 ZINC000969336677 613371885 /nfs/dbraw/zinc/37/18/85/613371885.db2.gz PHAKDPAMDGCJLT-SECBINFHSA-N 1 2 299.827 2.254 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cocc2C)C1 ZINC000970282811 613372047 /nfs/dbraw/zinc/37/20/47/613372047.db2.gz YFONOJZOQXJHNQ-LLVKDONJSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnco1 ZINC000968971160 613373064 /nfs/dbraw/zinc/37/30/64/613373064.db2.gz HZSCSHRFOIUGGW-LBPRGKRZSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cnco1 ZINC000968971160 613373065 /nfs/dbraw/zinc/37/30/65/613373065.db2.gz HZSCSHRFOIUGGW-LBPRGKRZSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000966900568 613378212 /nfs/dbraw/zinc/37/82/12/613378212.db2.gz VAXLKIQNMQBDCN-JOYOIKCWSA-N 1 2 299.827 2.336 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000966900568 613378213 /nfs/dbraw/zinc/37/82/13/613378213.db2.gz VAXLKIQNMQBDCN-JOYOIKCWSA-N 1 2 299.827 2.336 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000972083057 613439364 /nfs/dbraw/zinc/43/93/64/613439364.db2.gz UZWMFUFKAMMCQS-AWEZNQCLSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000972083057 613439367 /nfs/dbraw/zinc/43/93/67/613439367.db2.gz UZWMFUFKAMMCQS-AWEZNQCLSA-N 1 2 291.395 2.228 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000957867414 613562675 /nfs/dbraw/zinc/56/26/75/613562675.db2.gz LQIOZRLYUKLSDW-CVEARBPZSA-N 1 2 276.424 2.370 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2c(C)cccc2C)CC1 ZINC000948571491 613563227 /nfs/dbraw/zinc/56/32/27/613563227.db2.gz UFTNCXMHMRYPQH-UHFFFAOYSA-N 1 2 284.403 2.013 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000949816773 613654699 /nfs/dbraw/zinc/65/46/99/613654699.db2.gz SURGQWFDTVRVOD-FICVDOATSA-N 1 2 262.397 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(OC)cc2)C1 ZINC000957316247 613657407 /nfs/dbraw/zinc/65/74/07/613657407.db2.gz GKGFDVDKNYWEBH-UHFFFAOYSA-N 1 2 274.364 2.028 20 30 CEEDLO C=CC[N@H+]1CCCN(C(=O)c2ncc(Cl)s2)CC1 ZINC000981613241 613699786 /nfs/dbraw/zinc/69/97/86/613699786.db2.gz YQGDOEAWRIEKSR-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO C=CC[N@@H+]1CCCN(C(=O)c2ncc(Cl)s2)CC1 ZINC000981613241 613699787 /nfs/dbraw/zinc/69/97/87/613699787.db2.gz YQGDOEAWRIEKSR-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2cc(F)ccc2F)CC1 ZINC000957769238 613707351 /nfs/dbraw/zinc/70/73/51/613707351.db2.gz OUHPEQULOATGMH-UHFFFAOYSA-N 1 2 294.345 2.228 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000950011552 613709248 /nfs/dbraw/zinc/70/92/48/613709248.db2.gz OQCZKMJQLIYVCO-UHFFFAOYSA-N 1 2 296.773 2.352 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000951556075 613710605 /nfs/dbraw/zinc/71/06/05/613710605.db2.gz PPBLMZRKVFAKFN-ZDUSSCGKSA-N 1 2 262.353 2.022 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](c2ccncc2)C(C)C)CC1 ZINC000949858711 613712963 /nfs/dbraw/zinc/71/29/63/613712963.db2.gz AXZFELNHEPLACY-INIZCTEOSA-N 1 2 287.407 2.151 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3ccc(C)cc32)CC1 ZINC000957805115 613714445 /nfs/dbraw/zinc/71/44/45/613714445.db2.gz FJEQEDOUDJVYAX-UHFFFAOYSA-N 1 2 283.375 2.420 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000949912262 613716197 /nfs/dbraw/zinc/71/61/97/613716197.db2.gz SGQSZIIOOUOHBT-UHFFFAOYSA-N 1 2 294.782 2.292 20 30 CEEDLO C=C(Br)CN1CC[NH+](C2CCC2)CC1 ZINC000306440859 622913791 /nfs/dbraw/zinc/91/37/91/622913791.db2.gz RJCFIAAQWSUYAH-UHFFFAOYSA-N 1 2 259.191 2.065 20 30 CEEDLO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000933112740 623501956 /nfs/dbraw/zinc/50/19/56/623501956.db2.gz BQEOARNILIPJLK-RRFJBIMHSA-N 1 2 298.452 2.073 20 30 CEEDLO CCCC[C@H](CC)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000933112740 623501960 /nfs/dbraw/zinc/50/19/60/623501960.db2.gz BQEOARNILIPJLK-RRFJBIMHSA-N 1 2 298.452 2.073 20 30 CEEDLO CCn1c[nH+]c2c1CCN(Cc1ccc(F)c(C#N)c1)C2 ZINC000933261442 623566173 /nfs/dbraw/zinc/56/61/73/623566173.db2.gz STHWQMPJKXZSEA-UHFFFAOYSA-N 1 2 284.338 2.472 20 30 CEEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cnccn1 ZINC000255358933 623687595 /nfs/dbraw/zinc/68/75/95/623687595.db2.gz SOBZCHYPZRJNEX-PLNGDYQASA-N 1 2 250.261 2.020 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396598 623712810 /nfs/dbraw/zinc/71/28/10/623712810.db2.gz XKZRBGHJTQNPDN-CYBMUJFWSA-N 1 2 291.395 2.032 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396598 623712814 /nfs/dbraw/zinc/71/28/14/623712814.db2.gz XKZRBGHJTQNPDN-CYBMUJFWSA-N 1 2 291.395 2.032 20 30 CEEDLO COc1cccc(N=NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000841619398 624043194 /nfs/dbraw/zinc/04/31/94/624043194.db2.gz XEQRUVONXJEVQG-UHFFFAOYSA-N 1 2 277.368 2.204 20 30 CEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cncs1 ZINC000934194526 624308368 /nfs/dbraw/zinc/30/83/68/624308368.db2.gz XXKOOSAXWWCSCL-SSDOTTSWSA-N 1 2 250.352 2.322 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CC(=O)N(CC)CC(F)(F)F ZINC000934459797 624508846 /nfs/dbraw/zinc/50/88/46/624508846.db2.gz LNZZOIQUOATIIN-JTQLQIEISA-N 1 2 264.291 2.048 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)N(CC)CC(F)(F)F ZINC000934459797 624508850 /nfs/dbraw/zinc/50/88/50/624508850.db2.gz LNZZOIQUOATIIN-JTQLQIEISA-N 1 2 264.291 2.048 20 30 CEEDLO N#CCC1C[NH+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000849327347 624777378 /nfs/dbraw/zinc/77/73/78/624777378.db2.gz RJUDOZFHXYVKLE-CYBMUJFWSA-N 1 2 250.729 2.219 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000820640126 634484990 /nfs/dbraw/zinc/48/49/90/634484990.db2.gz LVYZDSVPJBANFC-KGLIPLIRSA-N 1 2 274.368 2.032 20 30 CEEDLO CCCCc1nc(CO[NH+]=C(N)c2ccccc2)no1 ZINC000171729201 627736213 /nfs/dbraw/zinc/73/62/13/627736213.db2.gz PVNOXEZGZYERIT-UHFFFAOYSA-N 1 2 274.324 2.249 20 30 CEEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092399521 628281311 /nfs/dbraw/zinc/28/13/11/628281311.db2.gz SRHRJKYYHVZGBC-ZDUSSCGKSA-N 1 2 290.363 2.362 20 30 CEEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092399521 628281314 /nfs/dbraw/zinc/28/13/14/628281314.db2.gz SRHRJKYYHVZGBC-ZDUSSCGKSA-N 1 2 290.363 2.362 20 30 CEEDLO O=C(Nc1cnn(C(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329509439 628326295 /nfs/dbraw/zinc/32/62/95/628326295.db2.gz MGVTYHNWCLPYTE-MRVPVSSYSA-N 1 2 281.266 2.325 20 30 CEEDLO Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(C2CC2)n1 ZINC000893528315 628681042 /nfs/dbraw/zinc/68/10/42/628681042.db2.gz WRFSELJLJAUKQX-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(C2CC2)n1 ZINC000893528315 628681043 /nfs/dbraw/zinc/68/10/43/628681043.db2.gz WRFSELJLJAUKQX-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893545649 628725718 /nfs/dbraw/zinc/72/57/18/628725718.db2.gz VOGZMTSHJDZXLA-QMMMGPOBSA-N 1 2 253.689 2.497 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1csc(C#N)c1 ZINC000893930340 629050284 /nfs/dbraw/zinc/05/02/84/629050284.db2.gz YWEGILZSWGCELV-BNOWGMLFSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1csc(C#N)c1 ZINC000893930340 629050285 /nfs/dbraw/zinc/05/02/85/629050285.db2.gz YWEGILZSWGCELV-BNOWGMLFSA-N 1 2 290.388 2.393 20 30 CEEDLO C=CC(C)(C)CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894058698 629107722 /nfs/dbraw/zinc/10/77/22/629107722.db2.gz QNYHRBPTBKNRDP-LLVKDONJSA-N 1 2 264.373 2.284 20 30 CEEDLO C=CC(C)(C)CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894058698 629107723 /nfs/dbraw/zinc/10/77/23/629107723.db2.gz QNYHRBPTBKNRDP-LLVKDONJSA-N 1 2 264.373 2.284 20 30 CEEDLO CC(C)c1nc(CO[NH+]=C(N)Cc2ccccc2)no1 ZINC000067098392 629126953 /nfs/dbraw/zinc/12/69/53/629126953.db2.gz QBKOPLJNTZCAHO-UHFFFAOYSA-N 1 2 274.324 2.225 20 30 CEEDLO Cc1nc(CO[NH+]=C(N)Cc2cccnc2)sc1C ZINC000178807307 629174838 /nfs/dbraw/zinc/17/48/38/629174838.db2.gz YHGLPHFWDONHNJ-UHFFFAOYSA-N 1 2 276.365 2.186 20 30 CEEDLO C#CC[N@H+](CC#CC)CCC(=O)c1ccc(OC)cc1 ZINC000795913707 629710155 /nfs/dbraw/zinc/71/01/55/629710155.db2.gz ANSCDNGSPPTEQC-UHFFFAOYSA-N 1 2 269.344 2.227 20 30 CEEDLO C#CC[N@@H+](CC#CC)CCC(=O)c1ccc(OC)cc1 ZINC000795913707 629710159 /nfs/dbraw/zinc/71/01/59/629710159.db2.gz ANSCDNGSPPTEQC-UHFFFAOYSA-N 1 2 269.344 2.227 20 30 CEEDLO Cc1cc(F)c(C[NH2+][C@@H]2CCCN(O)C2=O)c(Cl)c1 ZINC000895158892 629974836 /nfs/dbraw/zinc/97/48/36/629974836.db2.gz PZJNSRVKWBRMQV-GFCCVEGCSA-N 1 2 286.734 2.257 20 30 CEEDLO C#C[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796727111 629979543 /nfs/dbraw/zinc/97/95/43/629979543.db2.gz OFBNAQFMYJFOHV-MRVPVSSYSA-N 1 2 278.258 2.188 20 30 CEEDLO Cc1[nH]c([C@@H]2CCCN2c2ccc(C#N)nn2)[nH+]c1C ZINC000895191748 630022378 /nfs/dbraw/zinc/02/23/78/630022378.db2.gz BXJGQNCRJGZZNG-LBPRGKRZSA-N 1 2 268.324 2.030 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CC(n2cccn2)C1)C(=O)OCC ZINC000895592062 630268355 /nfs/dbraw/zinc/26/83/55/630268355.db2.gz LAOQYEDHMPHWTN-RUXDESIVSA-N 1 2 277.368 2.074 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC000895723066 630315601 /nfs/dbraw/zinc/31/56/01/630315601.db2.gz PUVBLBLRCLVSQE-ZDUSSCGKSA-N 1 2 294.358 2.326 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC000895723066 630315603 /nfs/dbraw/zinc/31/56/03/630315603.db2.gz PUVBLBLRCLVSQE-ZDUSSCGKSA-N 1 2 294.358 2.326 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)C(=O)OC ZINC000895754849 630330993 /nfs/dbraw/zinc/33/09/93/630330993.db2.gz SREWZKQEIGKUQX-UYJPIKCFSA-N 1 2 281.396 2.432 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)C1CSC1 ZINC000895813772 630358955 /nfs/dbraw/zinc/35/89/55/630358955.db2.gz HGNJJDZXZZXBCI-UHFFFAOYSA-N 1 2 289.448 2.477 20 30 CEEDLO C#CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)C1CSC1 ZINC000895813772 630358962 /nfs/dbraw/zinc/35/89/62/630358962.db2.gz HGNJJDZXZZXBCI-UHFFFAOYSA-N 1 2 289.448 2.477 20 30 CEEDLO N#Cc1csc(CNc2cc(NCC3CC3)[nH+]cn2)n1 ZINC000896930502 630821760 /nfs/dbraw/zinc/82/17/60/630821760.db2.gz PFDNUEUOOSZCIF-UHFFFAOYSA-N 1 2 286.364 2.239 20 30 CEEDLO N#Cc1csc(CNc2cc(NCC3CC3)nc[nH+]2)n1 ZINC000896930502 630821764 /nfs/dbraw/zinc/82/17/64/630821764.db2.gz PFDNUEUOOSZCIF-UHFFFAOYSA-N 1 2 286.364 2.239 20 30 CEEDLO NC(=[NH+]OCCO[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000799583645 631048065 /nfs/dbraw/zinc/04/80/65/631048065.db2.gz BFASLQFDHGOXBU-ZDUSSCGKSA-N 1 2 282.315 2.006 20 30 CEEDLO FC(F)(F)C(F)(F)C=NNCCCn1cc[nH+]c1 ZINC000872387754 631301413 /nfs/dbraw/zinc/30/14/13/631301413.db2.gz RXHBQFXERCQYSI-UHFFFAOYSA-N 1 2 270.205 2.046 20 30 CEEDLO C=CCCCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897418011 631334788 /nfs/dbraw/zinc/33/47/88/631334788.db2.gz AEEIKWJFMCLZAS-CQSZACIVSA-N 1 2 276.384 2.263 20 30 CEEDLO C=CCCCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897418011 631334791 /nfs/dbraw/zinc/33/47/91/631334791.db2.gz AEEIKWJFMCLZAS-CQSZACIVSA-N 1 2 276.384 2.263 20 30 CEEDLO C#CCC[NH+]1CCN(CCSC(C)(C)C)CC1 ZINC000801936118 631362718 /nfs/dbraw/zinc/36/27/18/631362718.db2.gz PDRNSIHVVJBZMY-UHFFFAOYSA-N 1 2 254.443 2.159 20 30 CEEDLO N#CC1(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000802992921 631500769 /nfs/dbraw/zinc/50/07/69/631500769.db2.gz RMJSZURWEOSYKY-UHFFFAOYSA-N 1 2 267.288 2.333 20 30 CEEDLO COCC#CC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000611194772 631626377 /nfs/dbraw/zinc/62/63/77/631626377.db2.gz LTAMVSGJEZCXGF-JKSUJKDBSA-N 1 2 293.407 2.080 20 30 CEEDLO COCC#CC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000611194772 631626389 /nfs/dbraw/zinc/62/63/89/631626389.db2.gz LTAMVSGJEZCXGF-JKSUJKDBSA-N 1 2 293.407 2.080 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806154766 631720634 /nfs/dbraw/zinc/72/06/34/631720634.db2.gz JTZRJTJVQVLMNH-LBPRGKRZSA-N 1 2 282.771 2.389 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897639562 631848037 /nfs/dbraw/zinc/84/80/37/631848037.db2.gz HCNKSTMWHXAHFZ-KGLIPLIRSA-N 1 2 291.395 2.024 20 30 CEEDLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(C#N)cc1F ZINC000808404570 631958078 /nfs/dbraw/zinc/95/80/78/631958078.db2.gz IJPJMRMJHXJSRP-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000840167859 632077281 /nfs/dbraw/zinc/07/72/81/632077281.db2.gz GTLNZYKVTITICX-MRXNPFEDSA-N 1 2 271.360 2.105 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000840167859 632077287 /nfs/dbraw/zinc/07/72/87/632077287.db2.gz GTLNZYKVTITICX-MRXNPFEDSA-N 1 2 271.360 2.105 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2cccnc2C)cc1 ZINC000809993853 632165587 /nfs/dbraw/zinc/16/55/87/632165587.db2.gz IZYOZPBRIPMRML-UHFFFAOYSA-N 1 2 271.320 2.236 20 30 CEEDLO CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cccc(C#N)c1O ZINC000924626095 632351359 /nfs/dbraw/zinc/35/13/59/632351359.db2.gz SAUUGTZSXPIPQV-CYBMUJFWSA-N 1 2 297.362 2.042 20 30 CEEDLO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCCC(C)(C)C2=O)CC1 ZINC000840230510 632384885 /nfs/dbraw/zinc/38/48/85/632384885.db2.gz VGSFDJHSKSJONB-CQSZACIVSA-N 1 2 291.391 2.023 20 30 CEEDLO N#C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC12CCCC2 ZINC000898503920 632527531 /nfs/dbraw/zinc/52/75/31/632527531.db2.gz OBEIMNFDSQNPON-CJNGLKHVSA-N 1 2 293.386 2.011 20 30 CEEDLO N#C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC12CCCC2 ZINC000898503920 632527534 /nfs/dbraw/zinc/52/75/34/632527534.db2.gz OBEIMNFDSQNPON-CJNGLKHVSA-N 1 2 293.386 2.011 20 30 CEEDLO CC(C)(CNC(=O)CCCCCC#N)n1cc[nH+]c1 ZINC000898909240 632642481 /nfs/dbraw/zinc/64/24/81/632642481.db2.gz LONFKNKOZZXKPO-UHFFFAOYSA-N 1 2 262.357 2.208 20 30 CEEDLO CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(C#N)c1O ZINC000924746049 632665222 /nfs/dbraw/zinc/66/52/22/632665222.db2.gz XTPWGPWMXPAJTG-HIFRSBDPSA-N 1 2 273.380 2.399 20 30 CEEDLO COc1c(O)c(C[N@H+](C)CC(C)(C)C#N)ccc1[N+](=O)[O-] ZINC000816631879 633452607 /nfs/dbraw/zinc/45/26/07/633452607.db2.gz JXLLVJQDCLTFPR-UHFFFAOYSA-N 1 2 293.323 2.291 20 30 CEEDLO COc1c(O)c(C[N@@H+](C)CC(C)(C)C#N)ccc1[N+](=O)[O-] ZINC000816631879 633452608 /nfs/dbraw/zinc/45/26/08/633452608.db2.gz JXLLVJQDCLTFPR-UHFFFAOYSA-N 1 2 293.323 2.291 20 30 CEEDLO COc1cccc(/C=[NH+]\C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817708255 633724240 /nfs/dbraw/zinc/72/42/40/633724240.db2.gz WBYZJFQTVYFAQT-SWBPZFMBSA-N 1 2 290.363 2.111 20 30 CEEDLO C=C1CCC(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000900786627 633847366 /nfs/dbraw/zinc/84/73/66/633847366.db2.gz HJJHGDQPHRTLFK-CYBMUJFWSA-N 1 2 261.369 2.382 20 30 CEEDLO CO[C@H](CO[NH+]=C(N)c1ccc(Cl)cc1)C1CC1 ZINC000818075123 633853095 /nfs/dbraw/zinc/85/30/95/633853095.db2.gz JPFUBXVWNPXMIU-GFCCVEGCSA-N 1 2 268.744 2.402 20 30 CEEDLO COc1ccc(C=NNCCCn2cc[nH+]c2)c(C)c1 ZINC000901261327 634025922 /nfs/dbraw/zinc/02/59/22/634025922.db2.gz DMFPZVQLYXRJAI-UHFFFAOYSA-N 1 2 272.352 2.214 20 30 CEEDLO C(=Nn1nnc2c1CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000901334704 634051120 /nfs/dbraw/zinc/05/11/20/634051120.db2.gz YPIDLSJCJPGNFL-UHFFFAOYSA-N 1 2 292.346 2.225 20 30 CEEDLO C[C@@H](CC(=O)N(O)Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC000901371410 634075629 /nfs/dbraw/zinc/07/56/29/634075629.db2.gz BFOGTTBGBGZCNX-NSHDSACASA-N 1 2 277.299 2.391 20 30 CEEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)n(C)n1 ZINC000901505388 634149003 /nfs/dbraw/zinc/14/90/03/634149003.db2.gz AWHNGDWJZSSSAL-AATRIKPKSA-N 1 2 258.325 2.402 20 30 CEEDLO C=CC[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)C(=O)OC ZINC000901568401 634183300 /nfs/dbraw/zinc/18/33/00/634183300.db2.gz VPQCRCPYHOXNJZ-OUAUKWLOSA-N 1 2 295.301 2.194 20 30 CEEDLO CCCOc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819463252 634187241 /nfs/dbraw/zinc/18/72/41/634187241.db2.gz OZABPQVZYHRNIW-OAHLLOKOSA-N 1 2 291.395 2.094 20 30 CEEDLO CCCOc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819463252 634187247 /nfs/dbraw/zinc/18/72/47/634187247.db2.gz OZABPQVZYHRNIW-OAHLLOKOSA-N 1 2 291.395 2.094 20 30 CEEDLO C=CC[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)C(=O)OC ZINC000901631000 634216530 /nfs/dbraw/zinc/21/65/30/634216530.db2.gz RRKASCFJIVKOAH-OLZOCXBDSA-N 1 2 267.369 2.186 20 30 CEEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000901642728 634224397 /nfs/dbraw/zinc/22/43/97/634224397.db2.gz NTAQBUQASFNMNQ-WCQYABFASA-N 1 2 292.335 2.406 20 30 CEEDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000903100819 634969563 /nfs/dbraw/zinc/96/95/63/634969563.db2.gz ZMKHWMVMCGSLST-ZDUSSCGKSA-N 1 2 294.420 2.297 20 30 CEEDLO COc1nn(C)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000903339599 635068816 /nfs/dbraw/zinc/06/88/16/635068816.db2.gz ZLFWRWOCURNFOL-SNVBAGLBSA-N 1 2 288.326 2.290 20 30 CEEDLO C=CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903676794 635210512 /nfs/dbraw/zinc/21/05/12/635210512.db2.gz FYKSUFGILGOPCV-UHFFFAOYSA-N 1 2 280.393 2.186 20 30 CEEDLO CCc1nc(C[NH2+]Cc2ccc(C#N)c(OC)c2)co1 ZINC000825061418 635555130 /nfs/dbraw/zinc/55/51/30/635555130.db2.gz GELQBRPKNOBGIJ-UHFFFAOYSA-N 1 2 271.320 2.407 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CC[C@H]2CC(=O)N(C)C2)c1O ZINC000905001325 635772808 /nfs/dbraw/zinc/77/28/08/635772808.db2.gz GMWOWVXOZAEJPN-VAKHEIKFSA-N 1 2 290.363 2.078 20 30 CEEDLO C=CC[C@H]([NH2+]CC1(c2ccccc2OC)CC1)C(=O)OC ZINC000905754858 636442387 /nfs/dbraw/zinc/44/23/87/636442387.db2.gz HZNSMZNUAURERC-AWEZNQCLSA-N 1 2 289.375 2.434 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1cc2ccccc2[nH]1)C(=O)OC ZINC000905768872 636455335 /nfs/dbraw/zinc/45/53/35/636455335.db2.gz WUKMKGDSGHSOQJ-OAHLLOKOSA-N 1 2 272.348 2.418 20 30 CEEDLO N#Cc1ccc(F)c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000829806488 636934341 /nfs/dbraw/zinc/93/43/41/636934341.db2.gz LDMOGHQVPSJUBV-UHFFFAOYSA-N 1 2 298.321 2.440 20 30 CEEDLO N#Cc1ccc(F)c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000829806488 636934344 /nfs/dbraw/zinc/93/43/44/636934344.db2.gz LDMOGHQVPSJUBV-UHFFFAOYSA-N 1 2 298.321 2.440 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000829815772 636937690 /nfs/dbraw/zinc/93/76/90/636937690.db2.gz SPJLBIALMHRTTF-AWEZNQCLSA-N 1 2 291.416 2.325 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000829815772 636937692 /nfs/dbraw/zinc/93/76/92/636937692.db2.gz SPJLBIALMHRTTF-AWEZNQCLSA-N 1 2 291.416 2.325 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000829971851 636962944 /nfs/dbraw/zinc/96/29/44/636962944.db2.gz TYNKUMPXQFWPSP-NSHDSACASA-N 1 2 281.425 2.423 20 30 CEEDLO C#CC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000830316171 637033615 /nfs/dbraw/zinc/03/36/15/637033615.db2.gz HLQNKCIBJGKDFK-UHFFFAOYSA-N 1 2 289.379 2.256 20 30 CEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000908668258 637452823 /nfs/dbraw/zinc/45/28/23/637452823.db2.gz HPHOPQKTDMLEGJ-ZIAGYGMSSA-N 1 2 289.379 2.361 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832380062 637561605 /nfs/dbraw/zinc/56/16/05/637561605.db2.gz YZHIFCDFVKHNAL-LBPRGKRZSA-N 1 2 284.425 2.129 20 30 CEEDLO C=CCC[C@H](O)C[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832380062 637561611 /nfs/dbraw/zinc/56/16/11/637561611.db2.gz YZHIFCDFVKHNAL-LBPRGKRZSA-N 1 2 284.425 2.129 20 30 CEEDLO C=CCC[C@H]1CCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000912079747 638551297 /nfs/dbraw/zinc/55/12/97/638551297.db2.gz RCXWUXSARNVJLU-KGLIPLIRSA-N 1 2 276.384 2.412 20 30 CEEDLO C#C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000836416899 638627813 /nfs/dbraw/zinc/62/78/13/638627813.db2.gz IKUHJTIKIZSZDT-GFCCVEGCSA-N 1 2 256.309 2.114 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000912390167 638675976 /nfs/dbraw/zinc/67/59/76/638675976.db2.gz XOEMYQKLPJCRDN-RTYFKUQISA-N 1 2 292.423 2.080 20 30 CEEDLO C#Cc1cccc(N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000836616683 638677733 /nfs/dbraw/zinc/67/77/33/638677733.db2.gz UIYNXUSRNDNRFM-OAHLLOKOSA-N 1 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641986048 /nfs/dbraw/zinc/98/60/48/641986048.db2.gz PEHWXLKSKMBDFU-UHFFFAOYSA-N 1 2 267.336 2.077 20 30 CEEDLO CC(=O)Nc1ccc(C(C)=NNCCCn2cc[nH+]c2)cc1 ZINC000848418959 641986950 /nfs/dbraw/zinc/98/69/50/641986950.db2.gz TUBMMRUPAIQYQF-UHFFFAOYSA-N 1 2 299.378 2.245 20 30 CEEDLO C[C@H](CC/N=C/c1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000849170179 642277662 /nfs/dbraw/zinc/27/76/62/642277662.db2.gz MAQQHLXWTIJWQN-GMROUXNLSA-N 1 2 265.313 2.060 20 30 CEEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC23CCOCC3)c1 ZINC000877478747 650740450 /nfs/dbraw/zinc/74/04/50/650740450.db2.gz LJGYHEBTMPWGHV-UHFFFAOYSA-N 1 2 277.755 2.362 20 30 CEEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC23CCOCC3)c1 ZINC000877478747 650740452 /nfs/dbraw/zinc/74/04/52/650740452.db2.gz LJGYHEBTMPWGHV-UHFFFAOYSA-N 1 2 277.755 2.362 20 30 CEEDLO CC(C)[N@H+](Cc1cnon1)Cc1ccc(C#N)cc1 ZINC000851738667 643136404 /nfs/dbraw/zinc/13/64/04/643136404.db2.gz NSCILNCDFYIGOU-UHFFFAOYSA-N 1 2 256.309 2.352 20 30 CEEDLO CC(C)[N@@H+](Cc1cnon1)Cc1ccc(C#N)cc1 ZINC000851738667 643136407 /nfs/dbraw/zinc/13/64/07/643136407.db2.gz NSCILNCDFYIGOU-UHFFFAOYSA-N 1 2 256.309 2.352 20 30 CEEDLO C#CCOCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000851869714 643200499 /nfs/dbraw/zinc/20/04/99/643200499.db2.gz OVOGXSOKHYKSTF-UHFFFAOYSA-N 1 2 296.773 2.251 20 30 CEEDLO CC(C)=CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004318778 643218117 /nfs/dbraw/zinc/21/81/17/643218117.db2.gz BRWSCWCERRSRDG-OAHLLOKOSA-N 1 2 275.396 2.179 20 30 CEEDLO CC(C)=CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004318778 643218120 /nfs/dbraw/zinc/21/81/20/643218120.db2.gz BRWSCWCERRSRDG-OAHLLOKOSA-N 1 2 275.396 2.179 20 30 CEEDLO CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004327403 643225093 /nfs/dbraw/zinc/22/50/93/643225093.db2.gz QBDFTHXTRXWTGA-AWEZNQCLSA-N 1 2 263.385 2.013 20 30 CEEDLO CCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004327403 643225094 /nfs/dbraw/zinc/22/50/94/643225094.db2.gz QBDFTHXTRXWTGA-AWEZNQCLSA-N 1 2 263.385 2.013 20 30 CEEDLO C#CCN(C(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC000922779554 643259321 /nfs/dbraw/zinc/25/93/21/643259321.db2.gz XKBUHJYKXDKNBC-UHFFFAOYSA-N 1 2 259.353 2.252 20 30 CEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2=CCCC2)CC1 ZINC001004419612 643285587 /nfs/dbraw/zinc/28/55/87/643285587.db2.gz LNPPXBROXWEQHS-MRXNPFEDSA-N 1 2 287.407 2.323 20 30 CEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2=CCCC2)CC1 ZINC001004419612 643285588 /nfs/dbraw/zinc/28/55/88/643285588.db2.gz LNPPXBROXWEQHS-MRXNPFEDSA-N 1 2 287.407 2.323 20 30 CEEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004548634 643317685 /nfs/dbraw/zinc/31/76/85/643317685.db2.gz XVRLDAOWHHHFHM-BMFZPTHFSA-N 1 2 289.423 2.259 20 30 CEEDLO CC[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004548634 643317688 /nfs/dbraw/zinc/31/76/88/643317688.db2.gz XVRLDAOWHHHFHM-BMFZPTHFSA-N 1 2 289.423 2.259 20 30 CEEDLO C#CCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000852441580 643427575 /nfs/dbraw/zinc/42/75/75/643427575.db2.gz HIVLRIQQUDUPHJ-HNNXBMFYSA-N 1 2 275.348 2.255 20 30 CEEDLO C#CCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000852441580 643427580 /nfs/dbraw/zinc/42/75/80/643427580.db2.gz HIVLRIQQUDUPHJ-HNNXBMFYSA-N 1 2 275.348 2.255 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852633946 643493084 /nfs/dbraw/zinc/49/30/84/643493084.db2.gz DOTDDVCETQMDBE-KKUMJFAQSA-N 1 2 270.332 2.114 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000852633946 643493088 /nfs/dbraw/zinc/49/30/88/643493088.db2.gz DOTDDVCETQMDBE-KKUMJFAQSA-N 1 2 270.332 2.114 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000852687852 643513444 /nfs/dbraw/zinc/51/34/44/643513444.db2.gz WFHABDIQJXDLBV-SJLPKXTDSA-N 1 2 297.402 2.413 20 30 CEEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000852687852 643513450 /nfs/dbraw/zinc/51/34/50/643513450.db2.gz WFHABDIQJXDLBV-SJLPKXTDSA-N 1 2 297.402 2.413 20 30 CEEDLO N#C[C@]1(C(=O)OCCn2cc[nH+]c2)CC2CCC1CC2 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C=CC[N@H+](CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1)[C@H](C)COC ZINC000853535399 643806191 /nfs/dbraw/zinc/80/61/91/643806191.db2.gz UHQYXKSSALLXHM-DAXOMENPSA-N 1 2 292.423 2.114 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1)[C@H](C)COC ZINC000853535399 643806197 /nfs/dbraw/zinc/80/61/97/643806197.db2.gz UHQYXKSSALLXHM-DAXOMENPSA-N 1 2 292.423 2.114 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000853536539 643806298 /nfs/dbraw/zinc/80/62/98/643806298.db2.gz DJHNMQATSQCZGM-CQSZACIVSA-N 1 2 287.407 2.368 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc3c(cc2=O)CCCC3)C1 ZINC000853536539 643806302 /nfs/dbraw/zinc/80/63/02/643806302.db2.gz DJHNMQATSQCZGM-CQSZACIVSA-N 1 2 287.407 2.368 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](CC)Cc1ccccc1)C(=O)OC ZINC000839167853 644176552 /nfs/dbraw/zinc/17/65/52/644176552.db2.gz HCXUBZSNRSYMSI-GJZGRUSLSA-N 1 2 259.349 2.162 20 30 CEEDLO C#CC[C@@H]([NH2+]C[C@H](C)Cc1ccccc1)C(=O)OC ZINC000839167441 644176598 /nfs/dbraw/zinc/17/65/98/644176598.db2.gz 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256.309 2.395 20 30 CEEDLO N#Cc1ccccc1/C=C/C(=O)OCCCn1cc[nH+]c1 ZINC000782629579 647646590 /nfs/dbraw/zinc/64/65/90/647646590.db2.gz TXTWLRUKVJCJGX-VOTSOKGWSA-N 1 2 281.315 2.401 20 30 CEEDLO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(C#N)c1O ZINC000866239100 647688180 /nfs/dbraw/zinc/68/81/80/647688180.db2.gz QAVQFRIYEJRQJS-NHYWBVRUSA-N 1 2 273.380 2.255 20 30 CEEDLO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866248151 647693544 /nfs/dbraw/zinc/69/35/44/647693544.db2.gz LQUORSSHYPYSAF-YPMHNXCESA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1O ZINC000866259177 647700448 /nfs/dbraw/zinc/70/04/48/647700448.db2.gz JDYGFHKNCKZROD-YPMHNXCESA-N 1 2 271.364 2.151 20 30 CEEDLO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866267835 647705830 /nfs/dbraw/zinc/70/58/30/647705830.db2.gz UOMDQETVPZGBIG-TZMCWYRMSA-N 1 2 290.363 2.110 20 30 CEEDLO C[C@@H](CO)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866310121 647729567 /nfs/dbraw/zinc/72/95/67/647729567.db2.gz 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C=CC[C@@H]1N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCCC1(C)C ZINC000867840127 647975730 /nfs/dbraw/zinc/97/57/30/647975730.db2.gz QVIVUHOVAPKTDG-STQMWFEESA-N 1 2 277.368 2.036 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)NCc1c[nH+]cn1C ZINC000868621771 648198274 /nfs/dbraw/zinc/19/82/74/648198274.db2.gz MFFDOCSKYDWZLN-UHFFFAOYSA-N 1 2 264.373 2.212 20 30 CEEDLO CC(C)C[N@H+](CCC#N)[C@H]1CCCN(C(C)C)C1=O ZINC000790291101 648401968 /nfs/dbraw/zinc/40/19/68/648401968.db2.gz SREJBDPEIVSTQJ-AWEZNQCLSA-N 1 2 265.401 2.257 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)[C@H]1CCCN(C(C)C)C1=O ZINC000790291101 648401971 /nfs/dbraw/zinc/40/19/71/648401971.db2.gz SREJBDPEIVSTQJ-AWEZNQCLSA-N 1 2 265.401 2.257 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000791740210 648561072 /nfs/dbraw/zinc/56/10/72/648561072.db2.gz OBUQDAUYUYWEHP-HOTGVXAUSA-N 1 2 294.439 2.042 20 30 CEEDLO CC(C)(C(=O)OCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000870045326 648690971 /nfs/dbraw/zinc/69/09/71/648690971.db2.gz NAGKWCWAIPEEMM-UHFFFAOYSA-N 1 2 283.331 2.276 20 30 CEEDLO CC[N@H+](CCC1CC1)Cn1nc(CC#N)n(C)c1=S ZINC000794638431 648896451 /nfs/dbraw/zinc/89/64/51/648896451.db2.gz DREHYYZKQCEWPX-UHFFFAOYSA-N 1 2 279.413 2.097 20 30 CEEDLO CC[N@@H+](CCC1CC1)Cn1nc(CC#N)n(C)c1=S ZINC000794638431 648896452 /nfs/dbraw/zinc/89/64/52/648896452.db2.gz DREHYYZKQCEWPX-UHFFFAOYSA-N 1 2 279.413 2.097 20 30 CEEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(C#N)o1 ZINC000871720583 649156371 /nfs/dbraw/zinc/15/63/71/649156371.db2.gz JSWJPCQPOKKOBZ-NSHDSACASA-N 1 2 296.330 2.342 20 30 CEEDLO N#CC1CC[NH+](CN2C[C@H](Cc3ccccc3)CC2=O)CC1 ZINC000872573416 649427610 /nfs/dbraw/zinc/42/76/10/649427610.db2.gz AEFCZGCYSLIMGY-QGZVFWFLSA-N 1 2 297.402 2.271 20 30 CEEDLO C[N@H+](CCc1cccc(C#N)c1)CN1CC(C)(C)OC1=O ZINC000872705700 649462984 /nfs/dbraw/zinc/46/29/84/649462984.db2.gz VLAIVSCHDSHGOS-UHFFFAOYSA-N 1 2 287.363 2.221 20 30 CEEDLO C[N@@H+](CCc1cccc(C#N)c1)CN1CC(C)(C)OC1=O ZINC000872705700 649462986 /nfs/dbraw/zinc/46/29/86/649462986.db2.gz VLAIVSCHDSHGOS-UHFFFAOYSA-N 1 2 287.363 2.221 20 30 CEEDLO C#C[C@H]([NH2+]Cc1scnc1Cl)[C@H]1CCCO1 ZINC000878452360 651100150 /nfs/dbraw/zinc/10/01/50/651100150.db2.gz BODOEFAVCYZLKG-DTWKUNHWSA-N 1 2 256.758 2.067 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@H]1SCC)C(=O)OC ZINC000878596170 651137565 /nfs/dbraw/zinc/13/75/65/651137565.db2.gz AFULBUNSSRHFNA-GRYCIOLGSA-N 1 2 257.399 2.368 20 30 CEEDLO C=C(Cl)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879271122 651274400 /nfs/dbraw/zinc/27/44/00/651274400.db2.gz DGHUSOGNCCOUBD-GFCCVEGCSA-N 1 2 270.716 2.144 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000879431570 651302420 /nfs/dbraw/zinc/30/24/20/651302420.db2.gz VNJAGNHZQRNQAL-UHFFFAOYSA-N 1 2 284.743 2.393 20 30 CEEDLO C#CCCC[NH2+][C@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000880390950 651434532 /nfs/dbraw/zinc/43/45/32/651434532.db2.gz WKTNHOIFNLLXIA-MRXNPFEDSA-N 1 2 277.339 2.303 20 30 CEEDLO C#CCCOC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837648 652231494 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C=C1CC(C)(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C2)C1 ZINC001059399870 805851041 /nfs/dbraw/zinc/85/10/41/805851041.db2.gz QZMANSBNFIRTIE-JOCQHMNTSA-N 1 2 286.379 2.200 20 30 CEEDLO N#CCC1C[NH+](Cc2ccc3c(c2)OCCCO3)C1 ZINC001142250641 806264077 /nfs/dbraw/zinc/26/40/77/806264077.db2.gz GMXSUQPWNVPDNG-UHFFFAOYSA-N 1 2 258.321 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2O)[C@H]1C ZINC001088471547 806279445 /nfs/dbraw/zinc/27/94/45/806279445.db2.gz RSOPZNFDMUNJCE-YPMHNXCESA-N 1 2 294.782 2.337 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2O)[C@H]1C ZINC001088471547 806279449 /nfs/dbraw/zinc/27/94/49/806279449.db2.gz RSOPZNFDMUNJCE-YPMHNXCESA-N 1 2 294.782 2.337 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2cnc(Cl)nc2NC)C1 ZINC001142494338 806600704 /nfs/dbraw/zinc/60/07/04/806600704.db2.gz AGWGSMCFXPEPNM-JTQLQIEISA-N 1 2 264.760 2.017 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2cnc(Cl)nc2NC)C1 ZINC001142494338 806600710 /nfs/dbraw/zinc/60/07/10/806600710.db2.gz AGWGSMCFXPEPNM-JTQLQIEISA-N 1 2 264.760 2.017 20 30 CEEDLO Cn1ccc2c1[nH+]ccc2NC(=N)c1nccs1 ZINC001168284223 806610348 /nfs/dbraw/zinc/61/03/48/806610348.db2.gz RDKMHTQNLAXIKI-UHFFFAOYSA-N 1 2 257.322 2.067 20 30 CEEDLO N#CCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224383687 806721971 /nfs/dbraw/zinc/72/19/71/806721971.db2.gz ZXSYSIYIODSBMA-VIFPVBQESA-N 1 2 271.773 2.301 20 30 CEEDLO N#CCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224383687 806721974 /nfs/dbraw/zinc/72/19/74/806721974.db2.gz ZXSYSIYIODSBMA-VIFPVBQESA-N 1 2 271.773 2.301 20 30 CEEDLO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084247 802340104 /nfs/dbraw/zinc/34/01/04/802340104.db2.gz MHRVWYLDGJENMH-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208084247 802340114 /nfs/dbraw/zinc/34/01/14/802340114.db2.gz MHRVWYLDGJENMH-WDEREUQCSA-N 1 2 296.308 2.434 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C1 ZINC001266302695 802414561 /nfs/dbraw/zinc/41/45/61/802414561.db2.gz 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C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001267168237 803187566 /nfs/dbraw/zinc/18/75/66/803187566.db2.gz PJZJFFPTQZHAOL-MNOVXSKESA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](F)C(F)(F)F ZINC001267168237 803187570 /nfs/dbraw/zinc/18/75/70/803187570.db2.gz PJZJFFPTQZHAOL-MNOVXSKESA-N 1 2 296.308 2.434 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001267270115 803315237 /nfs/dbraw/zinc/31/52/37/803315237.db2.gz SLBZQFYIJASNHP-OAHLLOKOSA-N 1 2 291.395 2.420 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001267270115 803315243 /nfs/dbraw/zinc/31/52/43/803315243.db2.gz SLBZQFYIJASNHP-OAHLLOKOSA-N 1 2 291.395 2.420 20 30 CEEDLO N#Cc1cccc(C2CC[NH+](Cc3c[nH]nn3)CC2)c1 ZINC001203206516 803323395 /nfs/dbraw/zinc/32/33/95/803323395.db2.gz UEJXMZFZMHDGRI-UHFFFAOYSA-N 1 2 267.336 2.056 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001027757871 804239693 /nfs/dbraw/zinc/23/96/93/804239693.db2.gz LEYBNXAXZYJGID-AWEZNQCLSA-N 1 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JKLUWCSIQKSKAG-UHFFFAOYSA-N 1 2 283.306 2.069 20 30 CEEDLO C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030193692 807103480 /nfs/dbraw/zinc/10/34/80/807103480.db2.gz AOZGMOPHMKPUDD-LBPRGKRZSA-N 1 2 294.358 2.062 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001030355598 807152692 /nfs/dbraw/zinc/15/26/92/807152692.db2.gz FXHHSUBUDQIQQP-QWHCGFSZSA-N 1 2 250.386 2.189 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2C(F)F)C1 ZINC001030432406 807186382 /nfs/dbraw/zinc/18/63/82/807186382.db2.gz GOMHOHOPULRVLK-NEPJUHHUSA-N 1 2 272.339 2.044 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001030639509 807276585 /nfs/dbraw/zinc/27/65/85/807276585.db2.gz FQRQMRLPQVAJRV-UHFFFAOYSA-N 1 2 284.403 2.485 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccn2CC)[C@H]1C ZINC001089040801 807320255 /nfs/dbraw/zinc/32/02/55/807320255.db2.gz MSOAHCRDICGKLH-OLZOCXBDSA-N 1 2 295.814 2.453 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccn2CC)[C@H]1C ZINC001089040801 807320259 /nfs/dbraw/zinc/32/02/59/807320259.db2.gz MSOAHCRDICGKLH-OLZOCXBDSA-N 1 2 295.814 2.453 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001030865614 807441620 /nfs/dbraw/zinc/44/16/20/807441620.db2.gz SPGDVKOAIXBVEJ-OLZOCXBDSA-N 1 2 250.386 2.189 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(Cl)o2)C[C@H](C)N1CC#N ZINC001119516126 815123592 /nfs/dbraw/zinc/12/35/92/815123592.db2.gz PEHBNOQXQJXJOD-QWRGUYRKSA-N 1 2 267.760 2.351 20 30 CEEDLO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154752 807597641 /nfs/dbraw/zinc/59/76/41/807597641.db2.gz JXLLBBMTFZZTQQ-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106154752 807597649 /nfs/dbraw/zinc/59/76/49/807597649.db2.gz JXLLBBMTFZZTQQ-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001031074505 807635633 /nfs/dbraw/zinc/63/56/33/807635633.db2.gz OFDUGAUQYJPXAT-UHFFFAOYSA-N 1 2 277.368 2.097 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001031092778 807645489 /nfs/dbraw/zinc/64/54/89/807645489.db2.gz GXMLXUHGWPDSOU-UHFFFAOYSA-N 1 2 297.402 2.395 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001031177048 807729224 /nfs/dbraw/zinc/72/92/24/807729224.db2.gz ZCYCUJOVVUXYFA-GOEBONIOSA-N 1 2 264.413 2.435 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001031178036 807731915 /nfs/dbraw/zinc/73/19/15/807731915.db2.gz MHOXISDFFBPEJU-DZGCQCFKSA-N 1 2 250.386 2.045 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001031178039 807732274 /nfs/dbraw/zinc/73/22/74/807732274.db2.gz MHOXISDFFBPEJU-ZFWWWQNUSA-N 1 2 250.386 2.045 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001031265476 807859664 /nfs/dbraw/zinc/85/96/64/807859664.db2.gz IAXGPQMODKMDKM-UHFFFAOYSA-N 1 2 275.396 2.203 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3ncsc3c2)C1 ZINC001031349181 807925343 /nfs/dbraw/zinc/92/53/43/807925343.db2.gz QNWWYDDKIKNILB-UHFFFAOYSA-N 1 2 287.388 2.286 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001031717913 808081099 /nfs/dbraw/zinc/08/10/99/808081099.db2.gz NULHJXSBJZVHHC-LLVKDONJSA-N 1 2 292.757 2.222 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C ZINC001032251088 808362475 /nfs/dbraw/zinc/36/24/75/808362475.db2.gz WRVGLHYBAHTBMC-RYUDHWBXSA-N 1 2 262.378 2.141 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C ZINC001032251088 808362477 /nfs/dbraw/zinc/36/24/77/808362477.db2.gz WRVGLHYBAHTBMC-RYUDHWBXSA-N 1 2 262.378 2.141 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCCC)C1 ZINC001107911827 808586366 /nfs/dbraw/zinc/58/63/66/808586366.db2.gz AZPUPSPWYSTDMC-GOEBONIOSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCCC)C1 ZINC001107911827 808586370 /nfs/dbraw/zinc/58/63/70/808586370.db2.gz AZPUPSPWYSTDMC-GOEBONIOSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccsc2C)C1 ZINC001107930668 808593744 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CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032736541 808814856 /nfs/dbraw/zinc/81/48/56/808814856.db2.gz RRDOUMPSWXWRBW-XIRDDKMYSA-N 1 2 282.387 2.099 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032736541 808814861 /nfs/dbraw/zinc/81/48/61/808814861.db2.gz RRDOUMPSWXWRBW-XIRDDKMYSA-N 1 2 282.387 2.099 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)csc1Cl ZINC001032755002 808835063 /nfs/dbraw/zinc/83/50/63/808835063.db2.gz ZIAMUJGJCBBDQG-QWRGUYRKSA-N 1 2 294.807 2.242 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)csc1Cl ZINC001032755002 808835064 /nfs/dbraw/zinc/83/50/64/808835064.db2.gz ZIAMUJGJCBBDQG-QWRGUYRKSA-N 1 2 294.807 2.242 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001032796392 808888413 /nfs/dbraw/zinc/88/84/13/808888413.db2.gz FCNNHOOKRDSNCY-ROUUACIJSA-N 1 2 294.398 2.486 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001032796392 808888418 /nfs/dbraw/zinc/88/84/18/808888418.db2.gz FCNNHOOKRDSNCY-ROUUACIJSA-N 1 2 294.398 2.486 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001032810440 808917485 /nfs/dbraw/zinc/91/74/85/808917485.db2.gz FPJOMEDCRISAIA-SOUVJXGZSA-N 1 2 274.408 2.121 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001032810440 808917490 /nfs/dbraw/zinc/91/74/90/808917490.db2.gz FPJOMEDCRISAIA-SOUVJXGZSA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001032820753 808960445 /nfs/dbraw/zinc/96/04/45/808960445.db2.gz CWIBKLWJJUYHIT-KBPBESRZSA-N 1 2 288.435 2.367 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001032820753 808960448 /nfs/dbraw/zinc/96/04/48/808960448.db2.gz CWIBKLWJJUYHIT-KBPBESRZSA-N 1 2 288.435 2.367 20 30 CEEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CCC)CC2 ZINC001128463279 809060176 /nfs/dbraw/zinc/06/01/76/809060176.db2.gz DUSOJFXKGKWUGQ-UHFFFAOYSA-N 1 2 290.411 2.081 20 30 CEEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CCC)CC2 ZINC001128463279 809060183 /nfs/dbraw/zinc/06/01/83/809060183.db2.gz DUSOJFXKGKWUGQ-UHFFFAOYSA-N 1 2 290.411 2.081 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(F)cc2)C1 ZINC001044250471 809079302 /nfs/dbraw/zinc/07/93/02/809079302.db2.gz DDRDYSZJZOXVCX-UHFFFAOYSA-N 1 2 276.355 2.087 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001033027776 809151140 /nfs/dbraw/zinc/15/11/40/809151140.db2.gz OIRDJOGPEPSAGT-LBPRGKRZSA-N 1 2 297.761 2.120 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)cn2)C1 ZINC001033027776 809151144 /nfs/dbraw/zinc/15/11/44/809151144.db2.gz OIRDJOGPEPSAGT-LBPRGKRZSA-N 1 2 297.761 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC2=CCOCC2)C1 ZINC001033384200 809290017 /nfs/dbraw/zinc/29/00/17/809290017.db2.gz QURSBXKSFVVYKB-CQSZACIVSA-N 1 2 298.814 2.008 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2=CCOCC2)C1 ZINC001033384200 809290019 /nfs/dbraw/zinc/29/00/19/809290019.db2.gz QURSBXKSFVVYKB-CQSZACIVSA-N 1 2 298.814 2.008 20 30 CEEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C(C)C)s2)C1 ZINC001033716633 809391309 /nfs/dbraw/zinc/39/13/09/809391309.db2.gz YUQBVRRYSLPDCB-LBPRGKRZSA-N 1 2 291.420 2.046 20 30 CEEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C(C)C)s2)C1 ZINC001033716633 809391310 /nfs/dbraw/zinc/39/13/10/809391310.db2.gz YUQBVRRYSLPDCB-LBPRGKRZSA-N 1 2 291.420 2.046 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2n[nH]cc2C)C1 ZINC001033823151 809428732 /nfs/dbraw/zinc/42/87/32/809428732.db2.gz MWGHWWJYFROAEG-LBPRGKRZSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2n[nH]cc2C)C1 ZINC001033823151 809428735 /nfs/dbraw/zinc/42/87/35/809428735.db2.gz MWGHWWJYFROAEG-LBPRGKRZSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nocc2C)C1 ZINC001034013828 809478437 /nfs/dbraw/zinc/47/84/37/809478437.db2.gz XPZPXNGBTYTVTH-LBPRGKRZSA-N 1 2 297.786 2.272 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nocc2C)C1 ZINC001034013828 809478439 /nfs/dbraw/zinc/47/84/39/809478439.db2.gz XPZPXNGBTYTVTH-LBPRGKRZSA-N 1 2 297.786 2.272 20 30 CEEDLO C#CCCCNc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001162439855 809572259 /nfs/dbraw/zinc/57/22/59/809572259.db2.gz DQHODUSSFHTYSW-UHFFFAOYSA-N 1 2 255.325 2.104 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2conc2C)C1 ZINC001034382490 809594053 /nfs/dbraw/zinc/59/40/53/809594053.db2.gz QDDQVKVDZXYRHN-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2conc2C)C1 ZINC001034382490 809594056 /nfs/dbraw/zinc/59/40/56/809594056.db2.gz QDDQVKVDZXYRHN-GFCCVEGCSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cscc2C)C1 ZINC001035323577 809777649 /nfs/dbraw/zinc/77/76/49/809777649.db2.gz UIHXYKVFGVZAEZ-ZDUSSCGKSA-N 1 2 294.420 2.063 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cscc2C)C1 ZINC001035323577 809777653 /nfs/dbraw/zinc/77/76/53/809777653.db2.gz UIHXYKVFGVZAEZ-ZDUSSCGKSA-N 1 2 294.420 2.063 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001014961477 810247129 /nfs/dbraw/zinc/24/71/29/810247129.db2.gz IAMPGSDBIBVBDN-LBPRGKRZSA-N 1 2 281.787 2.188 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001014961477 810247121 /nfs/dbraw/zinc/24/71/21/810247121.db2.gz IAMPGSDBIBVBDN-LBPRGKRZSA-N 1 2 281.787 2.188 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC001080269913 810261430 /nfs/dbraw/zinc/26/14/30/810261430.db2.gz MHKJRYBZUNRARL-ZYHUDNBSSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC001080269913 810261433 /nfs/dbraw/zinc/26/14/33/810261433.db2.gz MHKJRYBZUNRARL-ZYHUDNBSSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001080522748 810288484 /nfs/dbraw/zinc/28/84/84/810288484.db2.gz AOJNRLBLGWMKIS-RAIGVLPGSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001080522748 810288490 /nfs/dbraw/zinc/28/84/90/810288490.db2.gz AOJNRLBLGWMKIS-RAIGVLPGSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001080539770 810290710 /nfs/dbraw/zinc/29/07/10/810290710.db2.gz WEFNTVAPZMSPCQ-BXKDBHETSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001080539770 810290715 /nfs/dbraw/zinc/29/07/15/810290715.db2.gz WEFNTVAPZMSPCQ-BXKDBHETSA-N 1 2 297.786 2.040 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001015543019 810305281 /nfs/dbraw/zinc/30/52/81/810305281.db2.gz WGBWORDHJURUPX-NWDGAFQWSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001015543019 810305287 /nfs/dbraw/zinc/30/52/87/810305287.db2.gz WGBWORDHJURUPX-NWDGAFQWSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001015596035 810312572 /nfs/dbraw/zinc/31/25/72/810312572.db2.gz XPXYZJNJJBINFR-ZDUSSCGKSA-N 1 2 295.814 2.373 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001015596035 810312580 /nfs/dbraw/zinc/31/25/80/810312580.db2.gz XPXYZJNJJBINFR-ZDUSSCGKSA-N 1 2 295.814 2.373 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001015637400 810320236 /nfs/dbraw/zinc/32/02/36/810320236.db2.gz OBHJIMAXJBFXCE-DZGCQCFKSA-N 1 2 290.794 2.269 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001015637400 810320267 /nfs/dbraw/zinc/32/02/67/810320267.db2.gz OBHJIMAXJBFXCE-DZGCQCFKSA-N 1 2 290.794 2.269 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001015667564 810329511 /nfs/dbraw/zinc/32/95/11/810329511.db2.gz PMFJGCNMZPNXIQ-VIFPVBQESA-N 1 2 288.178 2.225 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001015667564 810329515 /nfs/dbraw/zinc/32/95/15/810329515.db2.gz PMFJGCNMZPNXIQ-VIFPVBQESA-N 1 2 288.178 2.225 20 30 CEEDLO CCCOC(=O)C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172304834 815363214 /nfs/dbraw/zinc/36/32/14/815363214.db2.gz OUCOGWJOKHXIRT-GFCCVEGCSA-N 1 2 260.337 2.032 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001016015086 810387930 /nfs/dbraw/zinc/38/79/30/810387930.db2.gz DOXJNTWQNWTPAB-TZMCWYRMSA-N 1 2 293.798 2.128 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001016015086 810387934 /nfs/dbraw/zinc/38/79/34/810387934.db2.gz DOXJNTWQNWTPAB-TZMCWYRMSA-N 1 2 293.798 2.128 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001016151544 810405191 /nfs/dbraw/zinc/40/51/91/810405191.db2.gz GKSIQLDITCLLKH-AWEZNQCLSA-N 1 2 296.773 2.311 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001016151544 810405199 /nfs/dbraw/zinc/40/51/99/810405199.db2.gz GKSIQLDITCLLKH-AWEZNQCLSA-N 1 2 296.773 2.311 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001017594062 810536272 /nfs/dbraw/zinc/53/62/72/810536272.db2.gz MESFLPNVZLWYQV-BETUJISGSA-N 1 2 297.358 2.073 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001017594062 810536278 /nfs/dbraw/zinc/53/62/78/810536278.db2.gz MESFLPNVZLWYQV-BETUJISGSA-N 1 2 297.358 2.073 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CCC2)CCC1 ZINC001017772843 810551366 /nfs/dbraw/zinc/55/13/66/810551366.db2.gz YMONKMNJKBLWNA-IYBDPMFKSA-N 1 2 286.419 2.265 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CCC2)CCC1 ZINC001017772843 810551371 /nfs/dbraw/zinc/55/13/71/810551371.db2.gz YMONKMNJKBLWNA-IYBDPMFKSA-N 1 2 286.419 2.265 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001017919851 810572198 /nfs/dbraw/zinc/57/21/98/810572198.db2.gz MSWFNLOBIBHPMG-LVQVYYBASA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001017919851 810572202 /nfs/dbraw/zinc/57/22/02/810572202.db2.gz MSWFNLOBIBHPMG-LVQVYYBASA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001017972645 810578115 /nfs/dbraw/zinc/57/81/15/810578115.db2.gz BOIDZLKSZJOPIS-WCXIOVBPSA-N 1 2 288.435 2.367 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001017972645 810578118 /nfs/dbraw/zinc/57/81/18/810578118.db2.gz BOIDZLKSZJOPIS-WCXIOVBPSA-N 1 2 288.435 2.367 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(F)c1 ZINC001017984512 810578188 /nfs/dbraw/zinc/57/81/88/810578188.db2.gz MJMUQHQIJBWBIK-IYBDPMFKSA-N 1 2 286.350 2.056 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(F)c1 ZINC001017984512 810578193 /nfs/dbraw/zinc/57/81/93/810578193.db2.gz MJMUQHQIJBWBIK-IYBDPMFKSA-N 1 2 286.350 2.056 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCC2 ZINC001018257176 810600347 /nfs/dbraw/zinc/60/03/47/810600347.db2.gz VQUXDSZJAXBASI-HDICACEKSA-N 1 2 294.398 2.097 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCC2 ZINC001018257176 810600351 /nfs/dbraw/zinc/60/03/51/810600351.db2.gz VQUXDSZJAXBASI-HDICACEKSA-N 1 2 294.398 2.097 20 30 CEEDLO 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C=CCNC(=O)[C@H](C)[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621405047 349594954 /nfs/dbraw/zinc/59/49/54/349594954.db2.gz JCQDJVPTXKLURX-CMPLNLGQSA-N 1 2 274.355 2.481 20 30 CEEDLO C=C(Cl)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000125390728 187183020 /nfs/dbraw/zinc/18/30/20/187183020.db2.gz ZISNYQMIQXZEJM-UHFFFAOYSA-N 1 2 266.772 2.262 20 30 CEEDLO N#Cc1cnn(Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000337933410 214317542 /nfs/dbraw/zinc/31/75/42/214317542.db2.gz FBUNMZYISHBSEV-UHFFFAOYSA-N 1 2 257.684 2.104 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000125579021 187191484 /nfs/dbraw/zinc/19/14/84/187191484.db2.gz PRRGJXYHHWPKNX-HNNXBMFYSA-N 1 2 259.349 2.309 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](CC)C1 ZINC000125579021 187191485 /nfs/dbraw/zinc/19/14/85/187191485.db2.gz PRRGJXYHHWPKNX-HNNXBMFYSA-N 1 2 259.349 2.309 20 30 CEEDLO N#CC1(CC(=O)NCc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000601656861 346871196 /nfs/dbraw/zinc/87/11/96/346871196.db2.gz SVWYIDLTAKYKGZ-UHFFFAOYSA-N 1 2 280.331 2.387 20 30 CEEDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000329374473 539238195 /nfs/dbraw/zinc/23/81/95/539238195.db2.gz KJQVSZZDHIKVTR-WDEREUQCSA-N 1 2 251.330 2.114 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000329565413 539242477 /nfs/dbraw/zinc/24/24/77/539242477.db2.gz HGFLPVHCHKMGJT-IACUBPJLSA-N 1 2 287.338 2.213 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042449549 362096286 /nfs/dbraw/zinc/09/62/86/362096286.db2.gz VSRMNKYIIMEUIB-KBPBESRZSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042449549 362096289 /nfs/dbraw/zinc/09/62/89/362096289.db2.gz VSRMNKYIIMEUIB-KBPBESRZSA-N 1 2 265.401 2.259 20 30 CEEDLO CCn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000126921566 365727401 /nfs/dbraw/zinc/72/74/01/365727401.db2.gz VNKOABIFSNIJSY-UHFFFAOYSA-N 1 2 295.390 2.097 20 30 CEEDLO C=CCN(CC=C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000046288476 362181203 /nfs/dbraw/zinc/18/12/03/362181203.db2.gz OVAHXZPYUXHZKT-UHFFFAOYSA-N 1 2 274.368 2.031 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NCCC#N)c1ccccc1F ZINC000028690741 343397529 /nfs/dbraw/zinc/39/75/29/343397529.db2.gz CFSZJMKPHJFLEI-CYBMUJFWSA-N 1 2 258.300 2.152 20 30 CEEDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000332416361 136383940 /nfs/dbraw/zinc/38/39/40/136383940.db2.gz MSMHPYAXCBFZPI-CYBMUJFWSA-N 1 2 297.362 2.133 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc(OCCOC)c(OC)c1 ZINC000127681938 365757306 /nfs/dbraw/zinc/75/73/06/365757306.db2.gz HOOGNBOPFZUANA-UHFFFAOYSA-N 1 2 292.379 2.456 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc(OCCOC)c(OC)c1 ZINC000127681938 365757312 /nfs/dbraw/zinc/75/73/12/365757312.db2.gz HOOGNBOPFZUANA-UHFFFAOYSA-N 1 2 292.379 2.456 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)COc1ccc(C#N)cc1 ZINC000047976299 343523643 /nfs/dbraw/zinc/52/36/43/343523643.db2.gz CRCPSYYUWONQDL-UHFFFAOYSA-N 1 2 296.330 2.037 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000066337792 343711638 /nfs/dbraw/zinc/71/16/38/343711638.db2.gz TZDJCTVUNRGIFY-CYBMUJFWSA-N 1 2 287.363 2.240 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)C(C)C ZINC000066469703 343714826 /nfs/dbraw/zinc/71/48/26/343714826.db2.gz XRLAQUUMZSCNSW-QWHCGFSZSA-N 1 2 253.390 2.112 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)C(C)C ZINC000066469703 343714827 /nfs/dbraw/zinc/71/48/27/343714827.db2.gz XRLAQUUMZSCNSW-QWHCGFSZSA-N 1 2 253.390 2.112 20 30 CEEDLO Cc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000066468974 343714943 /nfs/dbraw/zinc/71/49/43/343714943.db2.gz QFDXFEODMKLHPN-DZGCQCFKSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000066468974 343714944 /nfs/dbraw/zinc/71/49/44/343714944.db2.gz QFDXFEODMKLHPN-DZGCQCFKSA-N 1 2 276.380 2.135 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602074205 346968682 /nfs/dbraw/zinc/96/86/82/346968682.db2.gz ULSGCQQLNWYHEY-KBPBESRZSA-N 1 2 276.384 2.478 20 30 CEEDLO CCN(CCC#N)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602080150 346969804 /nfs/dbraw/zinc/96/98/04/346969804.db2.gz WQCCCOSXXHLSNX-UHFFFAOYSA-N 1 2 256.309 2.019 20 30 CEEDLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1(C#N)CCC1 ZINC000602080429 346969595 /nfs/dbraw/zinc/96/95/95/346969595.db2.gz LJMLYXMOYOTKKR-UHFFFAOYSA-N 1 2 296.330 2.096 20 30 CEEDLO CCc1c[nH]c(CC(=O)N[C@H](C#N)C2CCCCC2)[nH+]1 ZINC000602118684 346977851 /nfs/dbraw/zinc/97/78/51/346977851.db2.gz VNXYNMYLAXBTLK-CYBMUJFWSA-N 1 2 274.368 2.103 20 30 CEEDLO CCc1c[nH]c(CC(=O)Nc2cc(C#N)ccc2C)[nH+]1 ZINC000602087015 346970229 /nfs/dbraw/zinc/97/02/29/346970229.db2.gz VXGMHJWDBJTBRR-UHFFFAOYSA-N 1 2 268.320 2.333 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OCCCCO ZINC000602447305 347036468 /nfs/dbraw/zinc/03/64/68/347036468.db2.gz MNPMVHLUNALGQY-AWEZNQCLSA-N 1 2 276.380 2.429 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OCCCCO ZINC000602447305 347036470 /nfs/dbraw/zinc/03/64/70/347036470.db2.gz MNPMVHLUNALGQY-AWEZNQCLSA-N 1 2 276.380 2.429 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC3(CCCC3)C2)n1 ZINC000602475160 347049779 /nfs/dbraw/zinc/04/97/79/347049779.db2.gz XFSLMSHJKSTIBS-UHFFFAOYSA-N 1 2 257.337 2.098 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC3(CCCC3)C2)n1 ZINC000602475160 347049780 /nfs/dbraw/zinc/04/97/80/347049780.db2.gz XFSLMSHJKSTIBS-UHFFFAOYSA-N 1 2 257.337 2.098 20 30 CEEDLO N#CCCN(CCC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000172624128 344496624 /nfs/dbraw/zinc/49/66/24/344496624.db2.gz UYUCRIGWUIMGMJ-UHFFFAOYSA-N 1 2 285.273 2.075 20 30 CEEDLO Cc1cc([NH2+]C[C@H](C)CCC#N)ccc1-n1cnnn1 ZINC000602491717 347057058 /nfs/dbraw/zinc/05/70/58/347057058.db2.gz KZSAENHGTKAANN-LLVKDONJSA-N 1 2 270.340 2.323 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000292320656 344686889 /nfs/dbraw/zinc/68/68/89/344686889.db2.gz WFXJMXIIXIHVLL-UHFFFAOYSA-N 1 2 287.407 2.328 20 30 CEEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000292386713 344687457 /nfs/dbraw/zinc/68/74/57/344687457.db2.gz MARUUBVSCLKFQJ-HNNXBMFYSA-N 1 2 297.362 2.264 20 30 CEEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc(C#N)n2)cs1 ZINC000602565060 347079738 /nfs/dbraw/zinc/07/97/38/347079738.db2.gz OYUARNOUISYKEL-JTQLQIEISA-N 1 2 288.376 2.407 20 30 CEEDLO CO[C@@H](C)c1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000566126221 344942634 /nfs/dbraw/zinc/94/26/34/344942634.db2.gz XAOGSYZGCRCBEJ-XJKSGUPXSA-N 1 2 291.395 2.012 20 30 CEEDLO CO[C@@H](C)c1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000566126221 344942637 /nfs/dbraw/zinc/94/26/37/344942637.db2.gz XAOGSYZGCRCBEJ-XJKSGUPXSA-N 1 2 291.395 2.012 20 30 CEEDLO CO[C@@H](C)c1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000566126218 344942649 /nfs/dbraw/zinc/94/26/49/344942649.db2.gz XAOGSYZGCRCBEJ-BBRMVZONSA-N 1 2 291.395 2.012 20 30 CEEDLO CO[C@@H](C)c1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000566126218 344942652 /nfs/dbraw/zinc/94/26/52/344942652.db2.gz XAOGSYZGCRCBEJ-BBRMVZONSA-N 1 2 291.395 2.012 20 30 CEEDLO C[N@H+](CC(=O)Nc1ccccn1)Cc1cccc(C#N)c1 ZINC000585931378 345016760 /nfs/dbraw/zinc/01/67/60/345016760.db2.gz LCRDSHBIUCILHB-UHFFFAOYSA-N 1 2 280.331 2.024 20 30 CEEDLO C[N@@H+](CC(=O)Nc1ccccn1)Cc1cccc(C#N)c1 ZINC000585931378 345016764 /nfs/dbraw/zinc/01/67/64/345016764.db2.gz LCRDSHBIUCILHB-UHFFFAOYSA-N 1 2 280.331 2.024 20 30 CEEDLO COc1nc(C)cc(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000589312936 345076850 /nfs/dbraw/zinc/07/68/50/345076850.db2.gz ZNVUESVSLHPQTI-UHFFFAOYSA-N 1 2 288.376 2.325 20 30 CEEDLO C[C@]1(C#N)CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000589343536 345078349 /nfs/dbraw/zinc/07/83/49/345078349.db2.gz APWBKNIEFFGUIQ-OAHLLOKOSA-N 1 2 283.335 2.492 20 30 CEEDLO Cc1ccc(Cc2noc(-c3cccc(C#N)n3)n2)c[nH+]1 ZINC000589365005 345079073 /nfs/dbraw/zinc/07/90/73/345079073.db2.gz FCAZRKUSUWBHTP-UHFFFAOYSA-N 1 2 277.287 2.298 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1nc[nH+]c2c1OCCN2 ZINC000591157963 345226793 /nfs/dbraw/zinc/22/67/93/345226793.db2.gz VIHYJIHGZJBWPP-CYBMUJFWSA-N 1 2 293.330 2.252 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1[nH+]cnc2c1OCCN2 ZINC000591157963 345226796 /nfs/dbraw/zinc/22/67/96/345226796.db2.gz VIHYJIHGZJBWPP-CYBMUJFWSA-N 1 2 293.330 2.252 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000591659827 345272767 /nfs/dbraw/zinc/27/27/67/345272767.db2.gz WJOKXOFCULOLBU-ZBINZKHDSA-N 1 2 285.326 2.315 20 30 CEEDLO Cc1cc(NC[C@@]2(C)CCCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000591821069 345284553 /nfs/dbraw/zinc/28/45/53/345284553.db2.gz KETAKMSFVZABEE-LSDHHAIUSA-N 1 2 259.353 2.037 20 30 CEEDLO CO[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1 ZINC000591844730 345287714 /nfs/dbraw/zinc/28/77/14/345287714.db2.gz OTPOYNTWAPVQLF-ZWKOTPCHSA-N 1 2 299.418 2.121 20 30 CEEDLO CO[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1 ZINC000591844730 345287716 /nfs/dbraw/zinc/28/77/16/345287716.db2.gz OTPOYNTWAPVQLF-ZWKOTPCHSA-N 1 2 299.418 2.121 20 30 CEEDLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147095 345329477 /nfs/dbraw/zinc/32/94/77/345329477.db2.gz LUMQFEPRMPJITA-HZMBPMFUSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147095 345329480 /nfs/dbraw/zinc/32/94/80/345329480.db2.gz LUMQFEPRMPJITA-HZMBPMFUSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](CCC#N)CC2)n1 ZINC000593077569 345434850 /nfs/dbraw/zinc/43/48/50/345434850.db2.gz MANJZDZUMSRZII-WCQYABFASA-N 1 2 274.368 2.361 20 30 CEEDLO N#Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1Cl ZINC000105565149 232194174 /nfs/dbraw/zinc/19/41/74/232194174.db2.gz NVRZVNGNTTZDTH-UHFFFAOYSA-N 1 2 293.735 2.407 20 30 CEEDLO CC[C@H](C#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000593596256 345510798 /nfs/dbraw/zinc/51/07/98/345510798.db2.gz ZKAZCNVFKXZXLV-OAHLLOKOSA-N 1 2 288.395 2.452 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccc(N)n1 ZINC000593973718 345558752 /nfs/dbraw/zinc/55/87/52/345558752.db2.gz VDRBDBKKSYWZIA-WDEREUQCSA-N 1 2 267.336 2.173 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)c(Cl)c1 ZINC000594003529 345564182 /nfs/dbraw/zinc/56/41/82/345564182.db2.gz RWKMAKBZBXWZHQ-UHFFFAOYSA-N 1 2 291.782 2.206 20 30 CEEDLO CC[C@H](C#N)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000593662777 345517995 /nfs/dbraw/zinc/51/79/95/345517995.db2.gz JXWRABPZKMNJFZ-SECBINFHSA-N 1 2 271.324 2.117 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@](C)(C#N)C3)ccn12 ZINC000594339011 345613784 /nfs/dbraw/zinc/61/37/84/345613784.db2.gz JYGAEPJUJIOTKL-INIZCTEOSA-N 1 2 282.347 2.409 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594366653 345617051 /nfs/dbraw/zinc/61/70/51/345617051.db2.gz KHFSPVJXVUAQEB-CYBMUJFWSA-N 1 2 296.374 2.270 20 30 CEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C#N)CC1 ZINC000057880094 362599213 /nfs/dbraw/zinc/59/92/13/362599213.db2.gz HIOKAYXUOTZDMW-GFCCVEGCSA-N 1 2 282.347 2.121 20 30 CEEDLO N#CC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000057872954 362599355 /nfs/dbraw/zinc/59/93/55/362599355.db2.gz NEJOWHLUOPQNIB-UHFFFAOYSA-N 1 2 292.404 2.086 20 30 CEEDLO N#CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000057907710 362600377 /nfs/dbraw/zinc/60/03/77/362600377.db2.gz NLESMUSOFCXWAM-UHFFFAOYSA-N 1 2 258.281 2.065 20 30 CEEDLO CCC[C@H]([NH2+]CCc1ccc(C#N)cc1)C(=O)OCC ZINC000594711563 345676640 /nfs/dbraw/zinc/67/66/40/345676640.db2.gz QEAZFMNEMSDLFT-HNNXBMFYSA-N 1 2 274.364 2.422 20 30 CEEDLO C=C(Br)CSc1nc(N)cc(C)[nH+]1 ZINC000059928833 362655057 /nfs/dbraw/zinc/65/50/57/362655057.db2.gz FMKWCUHPIHLLPK-UHFFFAOYSA-N 1 2 260.160 2.368 20 30 CEEDLO CC(C)(C)n1nnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000594967755 345719132 /nfs/dbraw/zinc/71/91/32/345719132.db2.gz HFKZDFQRPZBSLO-UHFFFAOYSA-N 1 2 298.394 2.325 20 30 CEEDLO N#Cc1csc(C[NH2+][C@H]2CCc3ccc(O)cc32)n1 ZINC000594982066 345721165 /nfs/dbraw/zinc/72/11/65/345721165.db2.gz YONMQTINBZZYDM-ZDUSSCGKSA-N 1 2 271.345 2.497 20 30 CEEDLO COC(=O)c1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)on1 ZINC000602580429 347087373 /nfs/dbraw/zinc/08/73/73/347087373.db2.gz HCPFZTAEIUZWST-UHFFFAOYSA-N 1 2 297.314 2.112 20 30 CEEDLO C=CC[N@@H+](Cc1[nH]nc(C)c1C(=O)OCC)C1CC1 ZINC000595407394 345775180 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345930955 /nfs/dbraw/zinc/93/09/55/345930955.db2.gz MWYAHLCHSOWXON-UHFFFAOYSA-N 1 2 281.363 2.099 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1nc(C#N)c(Cl)s1)CC2 ZINC000596190737 345965500 /nfs/dbraw/zinc/96/55/00/345965500.db2.gz XQURJRMSRFOLHR-UHFFFAOYSA-N 1 2 279.756 2.193 20 30 CEEDLO Cn1ncc(C#N)c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000596191212 345965188 /nfs/dbraw/zinc/96/51/88/345965188.db2.gz LCEMAQDAQGGRMG-UHFFFAOYSA-N 1 2 298.394 2.185 20 30 CEEDLO C[C@H](CC#N)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000596578290 346059203 /nfs/dbraw/zinc/05/92/03/346059203.db2.gz CMHMTDVWVPZGHO-SNVBAGLBSA-N 1 2 267.292 2.325 20 30 CEEDLO Cc1cc(NCC2(O)CCC(F)(F)CC2)c(C#N)c[nH+]1 ZINC000596527447 346046211 /nfs/dbraw/zinc/04/62/11/346046211.db2.gz FWPSMPIZASEMEG-UHFFFAOYSA-N 1 2 281.306 2.036 20 30 CEEDLO Cc1cn2cc(NC(=O)N3CC[C@@](C)(C#N)C3)ccc2[nH+]1 ZINC000596722267 346080933 /nfs/dbraw/zinc/08/09/33/346080933.db2.gz SDPRANDDLCKWPO-HNNXBMFYSA-N 1 2 283.335 2.410 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000597085111 346127098 /nfs/dbraw/zinc/12/70/98/346127098.db2.gz REPYWXFAYTVFDV-NSHDSACASA-N 1 2 271.324 2.457 20 30 CEEDLO Cc1cn2ccc(NC(=O)N(C)C[C@@H](C)C#N)cc2[nH+]1 ZINC000597128026 346131997 /nfs/dbraw/zinc/13/19/97/346131997.db2.gz SGFVZZPZIKORCA-JTQLQIEISA-N 1 2 271.324 2.266 20 30 CEEDLO Cc1cn2ccc(NC(=O)NCC3(C#N)CCC3)cc2[nH+]1 ZINC000597131810 346132440 /nfs/dbraw/zinc/13/24/40/346132440.db2.gz YUFKQEJRFRUTLJ-UHFFFAOYSA-N 1 2 283.335 2.458 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CO[C@H](CC)C1)C(=O)OCC ZINC000597153292 346136677 /nfs/dbraw/zinc/13/66/77/346136677.db2.gz ZKYMRMJCYFCMIG-XQQFMLRXSA-N 1 2 255.358 2.041 20 30 CEEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnn3c1CCC3)C2 ZINC000597156692 346137455 /nfs/dbraw/zinc/13/74/55/346137455.db2.gz IVAUTWKHZOUEJQ-UHFFFAOYSA-N 1 2 264.332 2.217 20 30 CEEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnn3c1CCC3)C2 ZINC000597156692 346137458 /nfs/dbraw/zinc/13/74/58/346137458.db2.gz IVAUTWKHZOUEJQ-UHFFFAOYSA-N 1 2 264.332 2.217 20 30 CEEDLO COc1ccc(C[NH+]2CC(CC#N)C2)c(OC)c1OC ZINC000597191809 346145644 /nfs/dbraw/zinc/14/56/44/346145644.db2.gz HJZYZDHPZUPDQA-UHFFFAOYSA-N 1 2 276.336 2.058 20 30 CEEDLO COc1ccc(-n2cc(C[NH+]3CC(CC#N)C3)cn2)cc1 ZINC000597204168 346148139 /nfs/dbraw/zinc/14/81/39/346148139.db2.gz RYHRDOJAOMPHCW-UHFFFAOYSA-N 1 2 282.347 2.226 20 30 CEEDLO COCCOc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597228872 346155108 /nfs/dbraw/zinc/15/51/08/346155108.db2.gz HPFFNCSCKMLRON-MRXNPFEDSA-N 1 2 274.364 2.447 20 30 CEEDLO COCCOc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597228872 346155110 /nfs/dbraw/zinc/15/51/10/346155110.db2.gz HPFFNCSCKMLRON-MRXNPFEDSA-N 1 2 274.364 2.447 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)c1 ZINC000597248171 346161807 /nfs/dbraw/zinc/16/18/07/346161807.db2.gz XFDXOHKQSBEGTH-UHFFFAOYSA-N 1 2 297.383 2.277 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1 ZINC000597248171 346161809 /nfs/dbraw/zinc/16/18/09/346161809.db2.gz XFDXOHKQSBEGTH-UHFFFAOYSA-N 1 2 297.383 2.277 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)CC1(C#N)CCCCC1 ZINC000597714589 346220753 /nfs/dbraw/zinc/22/07/53/346220753.db2.gz CGMVIKDYVLCKFY-UHFFFAOYSA-N 1 2 274.368 2.383 20 30 CEEDLO CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H](C)C#N ZINC000598361806 346339217 /nfs/dbraw/zinc/33/92/17/346339217.db2.gz QDYCBAJCSGQQIH-AWEZNQCLSA-N 1 2 296.374 2.234 20 30 CEEDLO Cc1cc(NC[C@@H]2CCc3cccnc32)c(C#N)c[nH+]1 ZINC000598944898 346435760 /nfs/dbraw/zinc/43/57/60/346435760.db2.gz CGRRSNIKEDIIDX-ZDUSSCGKSA-N 1 2 264.332 2.221 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1C#N ZINC000599386745 346511628 /nfs/dbraw/zinc/51/16/28/346511628.db2.gz WVBQSBJQJPKGCO-HXPMCKFVSA-N 1 2 276.405 2.067 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1C#N ZINC000599386745 346511631 /nfs/dbraw/zinc/51/16/31/346511631.db2.gz WVBQSBJQJPKGCO-HXPMCKFVSA-N 1 2 276.405 2.067 20 30 CEEDLO Cc1cc(C[N@@H+]2CCc3nc[nH]c3C2)ccc1C#N ZINC000599422832 346516600 /nfs/dbraw/zinc/51/66/00/346516600.db2.gz PXJGCJVYQYZYLI-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Cc1cc(C[N@H+]2CCc3nc[nH]c3C2)ccc1C#N ZINC000599422832 346516601 /nfs/dbraw/zinc/51/66/01/346516601.db2.gz PXJGCJVYQYZYLI-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO COC(=O)[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602609299 347100544 /nfs/dbraw/zinc/10/05/44/347100544.db2.gz BMMHEWCNINLTBG-TZMCWYRMSA-N 1 2 260.337 2.430 20 30 CEEDLO C[C@H]1C[N@H+](CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599593744 346543514 /nfs/dbraw/zinc/54/35/14/346543514.db2.gz DHYVLSQMQQITPH-RYUDHWBXSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@H]1C[N@@H+](CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599593744 346543517 /nfs/dbraw/zinc/54/35/17/346543517.db2.gz DHYVLSQMQQITPH-RYUDHWBXSA-N 1 2 252.358 2.200 20 30 CEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951625 346587630 /nfs/dbraw/zinc/58/76/30/346587630.db2.gz GIHQPFDVOKKWGV-CQSZACIVSA-N 1 2 294.358 2.067 20 30 CEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951625 346587631 /nfs/dbraw/zinc/58/76/31/346587631.db2.gz 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/nfs/dbraw/zinc/69/13/95/346691395.db2.gz WTOZFBJSVWQUKO-UHFFFAOYSA-N 1 2 295.342 2.465 20 30 CEEDLO Cc1ncc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000270065108 136611571 /nfs/dbraw/zinc/61/15/71/136611571.db2.gz PZRMJVFCOYUNED-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601026029 346734814 /nfs/dbraw/zinc/73/48/14/346734814.db2.gz KGMYSLCNXQTZPJ-INIZCTEOSA-N 1 2 282.347 2.223 20 30 CEEDLO N#CCC1CN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000601194631 346783491 /nfs/dbraw/zinc/78/34/91/346783491.db2.gz MDKOOEUTTGVBMC-UHFFFAOYSA-N 1 2 253.309 2.185 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602642138 347119114 /nfs/dbraw/zinc/11/91/14/347119114.db2.gz HNFDRCVZGXNAIG-WDEREUQCSA-N 1 2 278.356 2.128 20 30 CEEDLO N#Cc1ccnc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000339263128 215048185 /nfs/dbraw/zinc/04/81/85/215048185.db2.gz FFMIYJHSMJAQDW-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO CCCc1nc(C)c(C[NH2+]Cc2cccc(C#N)n2)o1 ZINC000602673784 347136214 /nfs/dbraw/zinc/13/62/14/347136214.db2.gz RCPAVTMIJZWDKL-UHFFFAOYSA-N 1 2 270.336 2.492 20 30 CEEDLO C=CCC[C@H](N[C@H](c1[nH+]ccn1C)C1CC1)C(=O)OCC ZINC000602680851 347141955 /nfs/dbraw/zinc/14/19/55/347141955.db2.gz LYTLQSSTVFUPDA-KBPBESRZSA-N 1 2 291.395 2.359 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@H](COC(F)F)C2)n1 ZINC000356317025 370655615 /nfs/dbraw/zinc/65/56/15/370655615.db2.gz JWFSSKIAZUFLGC-QMMMGPOBSA-N 1 2 273.308 2.076 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@H](COC(F)F)C2)n1 ZINC000356317025 370655619 /nfs/dbraw/zinc/65/56/19/370655619.db2.gz JWFSSKIAZUFLGC-QMMMGPOBSA-N 1 2 273.308 2.076 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000602671494 347134341 /nfs/dbraw/zinc/13/43/41/347134341.db2.gz JXBTWYFJJYRTHN-HOTGVXAUSA-N 1 2 269.348 2.097 20 30 CEEDLO N#Cc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000602671494 347134345 /nfs/dbraw/zinc/13/43/45/347134345.db2.gz JXBTWYFJJYRTHN-HOTGVXAUSA-N 1 2 269.348 2.097 20 30 CEEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000602791796 347200063 /nfs/dbraw/zinc/20/00/63/347200063.db2.gz FAFNYRHIVVLCDZ-OAHLLOKOSA-N 1 2 284.359 2.453 20 30 CEEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602791796 347200066 /nfs/dbraw/zinc/20/00/66/347200066.db2.gz FAFNYRHIVVLCDZ-OAHLLOKOSA-N 1 2 284.359 2.453 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@H](OCC)C12CCC2)C(=O)OC ZINC000602733508 347177022 /nfs/dbraw/zinc/17/70/22/347177022.db2.gz IPVCRAWAFFWBCE-IHRRRGAJSA-N 1 2 281.396 2.432 20 30 CEEDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000602752497 347185263 /nfs/dbraw/zinc/18/52/63/347185263.db2.gz XTXZATVOPBQFAZ-DZGCQCFKSA-N 1 2 273.380 2.434 20 30 CEEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602860372 347228028 /nfs/dbraw/zinc/22/80/28/347228028.db2.gz CTZMIIGNAAPTGB-RWMBFGLXSA-N 1 2 289.379 2.153 20 30 CEEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602861119 347228778 /nfs/dbraw/zinc/22/87/78/347228778.db2.gz FYSQOZKSWCRHLQ-HZSPNIEDSA-N 1 2 273.380 2.453 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000602861170 347229111 /nfs/dbraw/zinc/22/91/11/347229111.db2.gz GCWNTQJEURGBHA-CYBMUJFWSA-N 1 2 271.364 2.069 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000602860994 347229144 /nfs/dbraw/zinc/22/91/44/347229144.db2.gz FBEGGJALTZTLJA-NDBYEHHHSA-N 1 2 251.374 2.056 20 30 CEEDLO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602863610 347230042 /nfs/dbraw/zinc/23/00/42/347230042.db2.gz OTJIUMPQWIDVGS-JTQLQIEISA-N 1 2 265.744 2.479 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000602869075 347231918 /nfs/dbraw/zinc/23/19/18/347231918.db2.gz LYFJLBCFZDLLFV-VXGBXAGGSA-N 1 2 282.347 2.454 20 30 CEEDLO CCOc1cc(C[NH2+][C@@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000602868794 347232047 /nfs/dbraw/zinc/23/20/47/347232047.db2.gz CVVUWNHJIMXJCJ-JTQLQIEISA-N 1 2 263.297 2.385 20 30 CEEDLO N#CCC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602880117 347236221 /nfs/dbraw/zinc/23/62/21/347236221.db2.gz DRHNJMJQDVVSKC-LLVKDONJSA-N 1 2 296.168 2.211 20 30 CEEDLO N#CCC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602880117 347236225 /nfs/dbraw/zinc/23/62/25/347236225.db2.gz DRHNJMJQDVVSKC-LLVKDONJSA-N 1 2 296.168 2.211 20 30 CEEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCCSCC#N ZINC000602882471 347237351 /nfs/dbraw/zinc/23/73/51/347237351.db2.gz LEFRWUCOBMAHHO-AWEZNQCLSA-N 1 2 292.404 2.007 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889945 347239791 /nfs/dbraw/zinc/23/97/91/347239791.db2.gz XKNMDAOIYYTHEK-ZFWWWQNUSA-N 1 2 297.358 2.147 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889945 347239793 /nfs/dbraw/zinc/23/97/93/347239793.db2.gz XKNMDAOIYYTHEK-ZFWWWQNUSA-N 1 2 297.358 2.147 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000602891566 347239864 /nfs/dbraw/zinc/23/98/64/347239864.db2.gz ITJCPSQWSLIBKE-SMDDNHRTSA-N 1 2 297.362 2.294 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000602974972 347261181 /nfs/dbraw/zinc/26/11/81/347261181.db2.gz WNUPONBYMHVMPR-CMPLNLGQSA-N 1 2 262.309 2.190 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000602974972 347261185 /nfs/dbraw/zinc/26/11/85/347261185.db2.gz WNUPONBYMHVMPR-CMPLNLGQSA-N 1 2 262.309 2.190 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000602976807 347262200 /nfs/dbraw/zinc/26/22/00/347262200.db2.gz SZHGIIRADPCIPL-YPMHNXCESA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000602976807 347262203 /nfs/dbraw/zinc/26/22/03/347262203.db2.gz SZHGIIRADPCIPL-YPMHNXCESA-N 1 2 276.336 2.499 20 30 CEEDLO CN(Cc1cn2ccccc2[nH+]1)[C@@H]1CCC[C@H]1C#N ZINC000602976908 347262319 /nfs/dbraw/zinc/26/23/19/347262319.db2.gz VHAHIWLXTUZICZ-GXTWGEPZSA-N 1 2 254.337 2.458 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)Nc1c(C#N)nnc2ccccc21 ZINC000085920284 179199535 /nfs/dbraw/zinc/19/95/35/179199535.db2.gz JLSNDTMBEKESTM-LLVKDONJSA-N 1 2 278.319 2.199 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602978407 347263211 /nfs/dbraw/zinc/26/32/11/347263211.db2.gz QDKHTMWPUIVEMT-UKRRQHHQSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602978407 347263215 /nfs/dbraw/zinc/26/32/15/347263215.db2.gz QDKHTMWPUIVEMT-UKRRQHHQSA-N 1 2 289.354 2.066 20 30 CEEDLO COc1cc[nH+]c(CN(C)[C@@H]2CCC[C@H]2C#N)c1OC ZINC000602981074 347263893 /nfs/dbraw/zinc/26/38/93/347263893.db2.gz ZEJRKOBBJSZICM-WCQYABFASA-N 1 2 275.352 2.223 20 30 CEEDLO COCc1cc(C#N)ccc1NCCCn1cc[nH+]c1 ZINC000603266216 347325233 /nfs/dbraw/zinc/32/52/33/347325233.db2.gz XJBNDPNZUYMEBX-UHFFFAOYSA-N 1 2 270.336 2.403 20 30 CEEDLO Cc1nc(C#N)n(Cc2[nH+]ccn2CC(F)(F)F)c1C ZINC000603350418 347347104 /nfs/dbraw/zinc/34/71/04/347347104.db2.gz UIZRYYFJCYJHIQ-UHFFFAOYSA-N 1 2 283.257 2.179 20 30 CEEDLO CC(C)(Nc1cc(C#N)nc(C2CC2)n1)c1[nH]cc[nH+]1 ZINC000603408506 347362266 /nfs/dbraw/zinc/36/22/66/347362266.db2.gz DLICSBCAAAKMCR-UHFFFAOYSA-N 1 2 268.324 2.296 20 30 CEEDLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000604525359 347419524 /nfs/dbraw/zinc/41/95/24/347419524.db2.gz SXPSCZGLDJACBY-LBPRGKRZSA-N 1 2 291.317 2.069 20 30 CEEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000604525359 347419527 /nfs/dbraw/zinc/41/95/27/347419527.db2.gz SXPSCZGLDJACBY-LBPRGKRZSA-N 1 2 291.317 2.069 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000604528855 347420353 /nfs/dbraw/zinc/42/03/53/347420353.db2.gz ISSZOKOWZJYRQS-UHFFFAOYSA-N 1 2 268.320 2.482 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065536646 362832863 /nfs/dbraw/zinc/83/28/63/362832863.db2.gz YUPHHMFFIFJOGK-LLVKDONJSA-N 1 2 263.297 2.065 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065536646 362832867 /nfs/dbraw/zinc/83/28/67/362832867.db2.gz YUPHHMFFIFJOGK-LLVKDONJSA-N 1 2 263.297 2.065 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000129706439 365887877 /nfs/dbraw/zinc/88/78/77/365887877.db2.gz QXPFTDVHQOVDEM-GFCCVEGCSA-N 1 2 260.337 2.330 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000129706439 365887883 /nfs/dbraw/zinc/88/78/83/365887883.db2.gz QXPFTDVHQOVDEM-GFCCVEGCSA-N 1 2 260.337 2.330 20 30 CEEDLO N#Cc1ccsc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131259 347626971 /nfs/dbraw/zinc/62/69/71/347626971.db2.gz LEQRDNMZJYPETQ-LBPRGKRZSA-N 1 2 286.360 2.294 20 30 CEEDLO Cc1cccn2cc(CC(=O)N(CCC#N)CC3CC3)[nH+]c12 ZINC000609142612 347628070 /nfs/dbraw/zinc/62/80/70/347628070.db2.gz XZAJNWWJYSNHJN-UHFFFAOYSA-N 1 2 296.374 2.338 20 30 CEEDLO C[C@H]1C[N@H+](CCCCC#N)C[C@H](C(F)(F)F)O1 ZINC000610410739 347679295 /nfs/dbraw/zinc/67/92/95/347679295.db2.gz NRPGVSBCSWZNKE-VHSXEESVSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H]1C[N@@H+](CCCCC#N)C[C@H](C(F)(F)F)O1 ZINC000610410739 347679297 /nfs/dbraw/zinc/67/92/97/347679297.db2.gz NRPGVSBCSWZNKE-VHSXEESVSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H]1C[N@H+](CCCSCC#N)C[C@@H](C(F)(F)F)O1 ZINC000610410514 347679544 /nfs/dbraw/zinc/67/95/44/347679544.db2.gz VVVOBLGWTTWUJB-UWVGGRQHSA-N 1 2 282.331 2.285 20 30 CEEDLO C[C@H]1C[N@@H+](CCCSCC#N)C[C@@H](C(F)(F)F)O1 ZINC000610410514 347679546 /nfs/dbraw/zinc/67/95/46/347679546.db2.gz VVVOBLGWTTWUJB-UWVGGRQHSA-N 1 2 282.331 2.285 20 30 CEEDLO COCC[N@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000611462554 347781209 /nfs/dbraw/zinc/78/12/09/347781209.db2.gz QMMDJLPRDHPJTL-UHFFFAOYSA-N 1 2 284.400 2.216 20 30 CEEDLO COCC[N@@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000611462554 347781213 /nfs/dbraw/zinc/78/12/13/347781213.db2.gz QMMDJLPRDHPJTL-UHFFFAOYSA-N 1 2 284.400 2.216 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CCOC2)c1C#N ZINC000611347147 347769176 /nfs/dbraw/zinc/76/91/76/347769176.db2.gz KAOXFXJPHRGNCG-OAHLLOKOSA-N 1 2 296.374 2.273 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCOC2)c1C#N ZINC000611347147 347769178 /nfs/dbraw/zinc/76/91/78/347769178.db2.gz KAOXFXJPHRGNCG-OAHLLOKOSA-N 1 2 296.374 2.273 20 30 CEEDLO Cc1nc(CC[NH+]2CCN([C@H](C#N)C(C)C)CC2)cs1 ZINC000611432021 347779241 /nfs/dbraw/zinc/77/92/41/347779241.db2.gz IDDIZJMCEARHRR-OAHLLOKOSA-N 1 2 292.452 2.160 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000612161832 347851501 /nfs/dbraw/zinc/85/15/01/347851501.db2.gz FPMMEMWIECDSQS-SFHVURJKSA-N 1 2 297.402 2.197 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000612161832 347851503 /nfs/dbraw/zinc/85/15/03/347851503.db2.gz FPMMEMWIECDSQS-SFHVURJKSA-N 1 2 297.402 2.197 20 30 CEEDLO Cc1cc([NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1-n1cnnn1 ZINC000613252356 348008885 /nfs/dbraw/zinc/00/88/85/348008885.db2.gz YBJYNNBGQDCHLD-QWHCGFSZSA-N 1 2 282.351 2.465 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)n1 ZINC000614406015 348195388 /nfs/dbraw/zinc/19/53/88/348195388.db2.gz OACJEBLGWVDSFF-SNVBAGLBSA-N 1 2 256.309 2.409 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000617779689 348789538 /nfs/dbraw/zinc/78/95/38/348789538.db2.gz GXLXAUHMZSBTRX-CYBMUJFWSA-N 1 2 261.369 2.167 20 30 CEEDLO C=CCOCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618515399 348963270 /nfs/dbraw/zinc/96/32/70/348963270.db2.gz VRGDYSFJBGCKJF-UHFFFAOYSA-N 1 2 285.347 2.195 20 30 CEEDLO C=CCOCCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000618520793 348964809 /nfs/dbraw/zinc/96/48/09/348964809.db2.gz JWYKGXDVFZGYEC-UHFFFAOYSA-N 1 2 287.363 2.054 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618762691 349039120 /nfs/dbraw/zinc/03/91/20/349039120.db2.gz UNSIOCHFWHFBPT-INIZCTEOSA-N 1 2 292.342 2.493 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)nc1 ZINC000618903932 349063523 /nfs/dbraw/zinc/06/35/23/349063523.db2.gz PYIRGERPTZAUCK-CYBMUJFWSA-N 1 2 267.336 2.056 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)nc1 ZINC000618903932 349063524 /nfs/dbraw/zinc/06/35/24/349063524.db2.gz PYIRGERPTZAUCK-CYBMUJFWSA-N 1 2 267.336 2.056 20 30 CEEDLO C=CCC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000619108307 349119962 /nfs/dbraw/zinc/11/99/62/349119962.db2.gz RKZNBJIYGSEAGA-ZDUSSCGKSA-N 1 2 273.380 2.451 20 30 CEEDLO C=CCC1(NC(=O)CCc2c[nH+]cn2C)CCCC1 ZINC000619111337 349121868 /nfs/dbraw/zinc/12/18/68/349121868.db2.gz UVZQHMPRCKBPIO-UHFFFAOYSA-N 1 2 261.369 2.358 20 30 CEEDLO C=C[C@H]([NH2+]CCCCOc1ccc(F)cc1)C(=O)OC ZINC000619699666 349220547 /nfs/dbraw/zinc/22/05/47/349220547.db2.gz JNBNDSTYHIAPEZ-AWEZNQCLSA-N 1 2 281.327 2.302 20 30 CEEDLO C=C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)C(=O)OC ZINC000619699668 349220741 /nfs/dbraw/zinc/22/07/41/349220741.db2.gz JNBNDSTYHIAPEZ-CQSZACIVSA-N 1 2 281.327 2.302 20 30 CEEDLO C=C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000619703131 349223926 /nfs/dbraw/zinc/22/39/26/349223926.db2.gz FMVHFDARZNVQLQ-CHWSQXEVSA-N 1 2 267.369 2.186 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccc(C)cc1 ZINC000619716156 349226462 /nfs/dbraw/zinc/22/64/62/349226462.db2.gz WASDXPCPLZKNTJ-CQSZACIVSA-N 1 2 263.337 2.033 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccc(C)cc1 ZINC000619716156 349226464 /nfs/dbraw/zinc/22/64/64/349226464.db2.gz WASDXPCPLZKNTJ-CQSZACIVSA-N 1 2 263.337 2.033 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000619720381 349228890 /nfs/dbraw/zinc/22/88/90/349228890.db2.gz FWFBIWFRJWORMQ-ZIAGYGMSSA-N 1 2 279.311 2.006 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000619720381 349228892 /nfs/dbraw/zinc/22/88/92/349228892.db2.gz FWFBIWFRJWORMQ-ZIAGYGMSSA-N 1 2 279.311 2.006 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000619722107 349229179 /nfs/dbraw/zinc/22/91/79/349229179.db2.gz HKSVBDQSXTUKSJ-AWEZNQCLSA-N 1 2 259.349 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000619722107 349229182 /nfs/dbraw/zinc/22/91/82/349229182.db2.gz HKSVBDQSXTUKSJ-AWEZNQCLSA-N 1 2 259.349 2.378 20 30 CEEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1 ZINC000619724198 349229614 /nfs/dbraw/zinc/22/96/14/349229614.db2.gz 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LVNHMBAPOTZYSJ-NWDGAFQWSA-N 1 2 273.380 2.166 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000270706768 372911522 /nfs/dbraw/zinc/91/15/22/372911522.db2.gz KCWVUNCSUXGMDW-SNVBAGLBSA-N 1 2 255.325 2.090 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000366898863 373128427 /nfs/dbraw/zinc/12/84/27/373128427.db2.gz ZQTACOPMDWIFIV-CQSZACIVSA-N 1 2 280.412 2.102 20 30 CEEDLO C#CCCN1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000272008362 373258390 /nfs/dbraw/zinc/25/83/90/373258390.db2.gz JOLKJHNLXOOTAC-UHFFFAOYSA-N 1 2 294.345 2.429 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274334417 373882139 /nfs/dbraw/zinc/88/21/39/373882139.db2.gz BQQIIBIQSLFIEA-SSDOTTSWSA-N 1 2 293.314 2.115 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C1CC1 ZINC000274223167 373845647 /nfs/dbraw/zinc/84/56/47/373845647.db2.gz VOBSCICYZKIRBU-UHFFFAOYSA-N 1 2 282.387 2.275 20 30 CEEDLO C#CC[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C1CC1 ZINC000274223167 373845656 /nfs/dbraw/zinc/84/56/56/373845656.db2.gz VOBSCICYZKIRBU-UHFFFAOYSA-N 1 2 282.387 2.275 20 30 CEEDLO COCC1(O)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000274878953 374079632 /nfs/dbraw/zinc/07/96/32/374079632.db2.gz ZFGXPGIICGDURH-UHFFFAOYSA-N 1 2 294.782 2.185 20 30 CEEDLO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nncn1C ZINC000275219319 374190478 /nfs/dbraw/zinc/19/04/78/374190478.db2.gz UDGKJCMUEJKAST-NSHDSACASA-N 1 2 274.755 2.171 20 30 CEEDLO C=CCCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684118283 541928983 /nfs/dbraw/zinc/92/89/83/541928983.db2.gz SIBPKLUQISGZMD-UHFFFAOYSA-N 1 2 286.379 2.451 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277186558 374430998 /nfs/dbraw/zinc/43/09/98/374430998.db2.gz LRGGQQZIFNXLQB-VPZZIHKRSA-N 1 2 276.405 2.462 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277186558 374431001 /nfs/dbraw/zinc/43/10/01/374431001.db2.gz LRGGQQZIFNXLQB-VPZZIHKRSA-N 1 2 276.405 2.462 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1 ZINC000277287654 374464588 /nfs/dbraw/zinc/46/45/88/374464588.db2.gz ABJNVHZMBJQJTG-VLIAUNLRSA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1 ZINC000277287654 374464589 /nfs/dbraw/zinc/46/45/89/374464589.db2.gz ABJNVHZMBJQJTG-VLIAUNLRSA-N 1 2 291.416 2.042 20 30 CEEDLO C=CCSCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277362107 374493156 /nfs/dbraw/zinc/49/31/56/374493156.db2.gz HARRHYIYXGOZMZ-UHFFFAOYSA-N 1 2 264.398 2.408 20 30 CEEDLO C=CCSCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277362107 374493161 /nfs/dbraw/zinc/49/31/61/374493161.db2.gz HARRHYIYXGOZMZ-UHFFFAOYSA-N 1 2 264.398 2.408 20 30 CEEDLO N#Cc1ccncc1N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000374254675 374525109 /nfs/dbraw/zinc/52/51/09/374525109.db2.gz GDPXABKPNXHAAC-AWEZNQCLSA-N 1 2 279.347 2.429 20 30 CEEDLO C=C1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000277610707 374579171 /nfs/dbraw/zinc/57/91/71/374579171.db2.gz FRJHHOPMUKZKOW-UHFFFAOYSA-N 1 2 254.337 2.419 20 30 CEEDLO N#Cc1cccc(NC(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000378436604 375099516 /nfs/dbraw/zinc/09/95/16/375099516.db2.gz QNWWKJAUBLJWMA-CQSZACIVSA-N 1 2 295.346 2.057 20 30 CEEDLO C=C(C)CS(=O)(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000280554943 375243177 /nfs/dbraw/zinc/24/31/77/375243177.db2.gz JOSDLYWLNWLTCT-ZDUSSCGKSA-N 1 2 297.424 2.336 20 30 CEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000280485731 375216523 /nfs/dbraw/zinc/21/65/23/375216523.db2.gz LTQNKQYQTWPJBH-YOEHRIQHSA-N 1 2 289.350 2.057 20 30 CEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000280485731 375216527 /nfs/dbraw/zinc/21/65/27/375216527.db2.gz LTQNKQYQTWPJBH-YOEHRIQHSA-N 1 2 289.350 2.057 20 30 CEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000280485724 375216824 /nfs/dbraw/zinc/21/68/24/375216824.db2.gz LTQNKQYQTWPJBH-RHSMWYFYSA-N 1 2 289.350 2.057 20 30 CEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000280485724 375216827 /nfs/dbraw/zinc/21/68/27/375216827.db2.gz LTQNKQYQTWPJBH-RHSMWYFYSA-N 1 2 289.350 2.057 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC000280502194 375223152 /nfs/dbraw/zinc/22/31/52/375223152.db2.gz QXLFLBZKWBCYIM-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC000280502194 375223160 /nfs/dbraw/zinc/22/31/60/375223160.db2.gz QXLFLBZKWBCYIM-BLLLJJGKSA-N 1 2 290.338 2.077 20 30 CEEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)ccc1C#N ZINC000282139818 375413540 /nfs/dbraw/zinc/41/35/40/375413540.db2.gz CAUQXJIMRRTIDD-GFCCVEGCSA-N 1 2 290.363 2.339 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)ccc1C#N ZINC000282139818 375413546 /nfs/dbraw/zinc/41/35/46/375413546.db2.gz CAUQXJIMRRTIDD-GFCCVEGCSA-N 1 2 290.363 2.339 20 30 CEEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286484590 375969596 /nfs/dbraw/zinc/96/95/96/375969596.db2.gz OPQHKUWCALMJMD-ZDUSSCGKSA-N 1 2 296.317 2.293 20 30 CEEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286484590 375969598 /nfs/dbraw/zinc/96/95/98/375969598.db2.gz OPQHKUWCALMJMD-ZDUSSCGKSA-N 1 2 296.317 2.293 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000264480249 190112990 /nfs/dbraw/zinc/11/29/90/190112990.db2.gz PZLLHKVOICBSRB-LBPRGKRZSA-N 1 2 288.347 2.394 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000264504226 190114728 /nfs/dbraw/zinc/11/47/28/190114728.db2.gz WAUDBBKDPKULEV-UHFFFAOYSA-N 1 2 265.744 2.326 20 30 CEEDLO CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000317722122 376811343 /nfs/dbraw/zinc/81/13/43/376811343.db2.gz JXRGKVSQNIDGJM-YPMHNXCESA-N 1 2 298.346 2.316 20 30 CEEDLO C[NH+](C)[C@H](CNC[C@@H](C#N)CCC#N)c1ccsc1 ZINC000561516887 376816327 /nfs/dbraw/zinc/81/63/27/376816327.db2.gz VIXNMBCXWBTMBZ-TZMCWYRMSA-N 1 2 276.409 2.384 20 30 CEEDLO CC(=O)Nc1ccn([C@@H]2CCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000328612583 376861837 /nfs/dbraw/zinc/86/18/37/376861837.db2.gz PGWWOPTUZKGDPY-GFCCVEGCSA-N 1 2 286.339 2.041 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCOC[C@H](C)C1 ZINC000328680118 376879516 /nfs/dbraw/zinc/87/95/16/376879516.db2.gz NMYRVDOKOIOQBS-NXEZZACHSA-N 1 2 269.370 2.088 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCOC[C@H](C)C1 ZINC000328680118 376879526 /nfs/dbraw/zinc/87/95/26/376879526.db2.gz NMYRVDOKOIOQBS-NXEZZACHSA-N 1 2 269.370 2.088 20 30 CEEDLO CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328952599 376927894 /nfs/dbraw/zinc/92/78/94/376927894.db2.gz XSUXIDKQIJJWQD-SECBINFHSA-N 1 2 287.367 2.292 20 30 CEEDLO CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328952599 376927898 /nfs/dbraw/zinc/92/78/98/376927898.db2.gz XSUXIDKQIJJWQD-SECBINFHSA-N 1 2 287.367 2.292 20 30 CEEDLO CC(C)[C@@H]1C[C@H](CC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000329701654 376998821 /nfs/dbraw/zinc/99/88/21/376998821.db2.gz HOCLIYLYUKCTQF-KFWWJZLASA-N 1 2 298.427 2.115 20 30 CEEDLO CC(C)[C@@H]1C[C@H](CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000329701654 376998825 /nfs/dbraw/zinc/99/88/25/376998825.db2.gz HOCLIYLYUKCTQF-KFWWJZLASA-N 1 2 298.427 2.115 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000563372874 377191224 /nfs/dbraw/zinc/19/12/24/377191224.db2.gz AIAJOTKMHAOAMM-GFCCVEGCSA-N 1 2 287.363 2.236 20 30 CEEDLO CCCCc1nnc(NC(=O)C[NH2+][C@H](CC)CC#N)s1 ZINC000563821530 377301754 /nfs/dbraw/zinc/30/17/54/377301754.db2.gz RRCNJKGVPLMPDW-SNVBAGLBSA-N 1 2 295.412 2.101 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000425545519 377369782 /nfs/dbraw/zinc/36/97/82/377369782.db2.gz GFXIZZGKALJJEG-GFCCVEGCSA-N 1 2 297.362 2.194 20 30 CEEDLO C#CCCNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000264960788 190147408 /nfs/dbraw/zinc/14/74/08/190147408.db2.gz OCUGAZPODHEJEA-UHFFFAOYSA-N 1 2 273.380 2.226 20 30 CEEDLO C#CCCNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000264960788 190147409 /nfs/dbraw/zinc/14/74/09/190147409.db2.gz OCUGAZPODHEJEA-UHFFFAOYSA-N 1 2 273.380 2.226 20 30 CEEDLO CCN(CCC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000426485134 377410523 /nfs/dbraw/zinc/41/05/23/377410523.db2.gz MWUBEISPXHZFBZ-UHFFFAOYSA-N 1 2 268.320 2.248 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)C1=O ZINC000428981774 377504963 /nfs/dbraw/zinc/50/49/63/377504963.db2.gz ZLPDPPKACFXCAZ-ZDUSSCGKSA-N 1 2 291.395 2.325 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2oc(C(C)C)nc2C)C1=O ZINC000428981774 377504975 /nfs/dbraw/zinc/50/49/75/377504975.db2.gz ZLPDPPKACFXCAZ-ZDUSSCGKSA-N 1 2 291.395 2.325 20 30 CEEDLO C[C@H](CC(=O)N[C@](C)(C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000565049071 377544842 /nfs/dbraw/zinc/54/48/42/377544842.db2.gz YJYVYUKJKUZEKJ-BXUZGUMPSA-N 1 2 262.357 2.279 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000293547817 377620610 /nfs/dbraw/zinc/62/06/10/377620610.db2.gz YQSGOZXAZHACKE-ZJUUUORDSA-N 1 2 277.755 2.490 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000293547817 377620615 /nfs/dbraw/zinc/62/06/15/377620615.db2.gz YQSGOZXAZHACKE-ZJUUUORDSA-N 1 2 277.755 2.490 20 30 CEEDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000565300150 377634758 /nfs/dbraw/zinc/63/47/58/377634758.db2.gz VDTZOSNBBCXWLO-LLVKDONJSA-N 1 2 266.366 2.044 20 30 CEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc(C)c1F ZINC000565306930 377637515 /nfs/dbraw/zinc/63/75/15/377637515.db2.gz FHOPRNFWNJZLQG-OAHLLOKOSA-N 1 2 277.343 2.016 20 30 CEEDLO CC(C)O[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000566173248 377739665 /nfs/dbraw/zinc/73/96/65/377739665.db2.gz JZERIVYGJKVZJU-GFCCVEGCSA-N 1 2 293.392 2.058 20 30 CEEDLO CC(C)O[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000566173248 377739675 /nfs/dbraw/zinc/73/96/75/377739675.db2.gz JZERIVYGJKVZJU-GFCCVEGCSA-N 1 2 293.392 2.058 20 30 CEEDLO CCc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C#N)s1 ZINC000433289484 377785630 /nfs/dbraw/zinc/78/56/30/377785630.db2.gz PVUFVCBGSGAIOG-UHFFFAOYSA-N 1 2 293.436 2.408 20 30 CEEDLO CCc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000433289484 377785634 /nfs/dbraw/zinc/78/56/34/377785634.db2.gz PVUFVCBGSGAIOG-UHFFFAOYSA-N 1 2 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/nfs/dbraw/zinc/60/68/04/395606804.db2.gz VGGSRYCZINSDNK-JTQLQIEISA-N 1 2 283.784 2.029 20 30 CEEDLO C[N@H+]1CCO[C@H](CSc2ncc(C#N)cc2Cl)C1 ZINC000573365728 395606806 /nfs/dbraw/zinc/60/68/06/395606806.db2.gz VGGSRYCZINSDNK-JTQLQIEISA-N 1 2 283.784 2.029 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000568181010 395550102 /nfs/dbraw/zinc/55/01/02/395550102.db2.gz IKCVOBPHXYVMOQ-QWRGUYRKSA-N 1 2 290.323 2.204 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000568528208 395563233 /nfs/dbraw/zinc/56/32/33/395563233.db2.gz ANOGMJBYXJOBKQ-RISCZKNCSA-N 1 2 287.363 2.498 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000572592951 395586696 /nfs/dbraw/zinc/58/66/96/395586696.db2.gz GRFFVPCERARAFG-MNOVXSKESA-N 1 2 277.349 2.231 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000572612319 395586705 /nfs/dbraw/zinc/58/67/05/395586705.db2.gz PYNYNLYQHFQMRB-QMMMGPOBSA-N 1 2 254.236 2.257 20 30 CEEDLO C=C(CC)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000574040131 395625121 /nfs/dbraw/zinc/62/51/21/395625121.db2.gz IEIMRHZIYOKKEX-UHFFFAOYSA-N 1 2 257.337 2.268 20 30 CEEDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1nc(C#N)cs1 ZINC000453614938 395628322 /nfs/dbraw/zinc/62/83/22/395628322.db2.gz QGUQNNHPHRSRRF-UHFFFAOYSA-N 1 2 289.408 2.406 20 30 CEEDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1nc(C#N)cs1 ZINC000453614938 395628324 /nfs/dbraw/zinc/62/83/24/395628324.db2.gz QGUQNNHPHRSRRF-UHFFFAOYSA-N 1 2 289.408 2.406 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000649353982 396127265 /nfs/dbraw/zinc/12/72/65/396127265.db2.gz JTUYHGHORCFBGF-AWEZNQCLSA-N 1 2 253.292 2.260 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000649353982 396127266 /nfs/dbraw/zinc/12/72/66/396127266.db2.gz JTUYHGHORCFBGF-AWEZNQCLSA-N 1 2 253.292 2.260 20 30 CEEDLO N#Cc1ccncc1NCc1[nH+]ccn1CC(F)(F)F ZINC000359508656 155035645 /nfs/dbraw/zinc/03/56/45/155035645.db2.gz PFTAJYJFTYBOLR-UHFFFAOYSA-N 1 2 281.241 2.324 20 30 CEEDLO CCC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OCC ZINC000174211372 165096120 /nfs/dbraw/zinc/09/61/20/165096120.db2.gz KGIOENYTVKUAEO-OAHLLOKOSA-N 1 2 290.363 2.258 20 30 CEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000008198847 170324140 /nfs/dbraw/zinc/32/41/40/170324140.db2.gz LHXZIHRDCOXTBQ-UHFFFAOYSA-N 1 2 269.304 2.222 20 30 CEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000008198847 170324141 /nfs/dbraw/zinc/32/41/41/170324141.db2.gz LHXZIHRDCOXTBQ-UHFFFAOYSA-N 1 2 269.304 2.222 20 30 CEEDLO C=CCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000660711082 414943023 /nfs/dbraw/zinc/94/30/23/414943023.db2.gz ZXBYIYNEWCGGBJ-UHFFFAOYSA-N 1 2 258.325 2.018 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCc3c2cccc3O)nn1 ZINC000653712483 415082638 /nfs/dbraw/zinc/08/26/38/415082638.db2.gz HXOHPGDHWCREAE-OAHLLOKOSA-N 1 2 284.363 2.337 20 30 CEEDLO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@@H](C)COC ZINC000661239134 415151939 /nfs/dbraw/zinc/15/19/39/415151939.db2.gz JMQZBULRBZJBTR-LBPRGKRZSA-N 1 2 266.389 2.056 20 30 CEEDLO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@@H](C)COC ZINC000661239134 415151944 /nfs/dbraw/zinc/15/19/44/415151944.db2.gz JMQZBULRBZJBTR-LBPRGKRZSA-N 1 2 266.389 2.056 20 30 CEEDLO C=CC[N@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)COC ZINC000661245306 415154510 /nfs/dbraw/zinc/15/45/10/415154510.db2.gz AVBGXVULPMASNT-LLVKDONJSA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)COC ZINC000661245306 415154513 /nfs/dbraw/zinc/15/45/13/415154513.db2.gz AVBGXVULPMASNT-LLVKDONJSA-N 1 2 277.324 2.353 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)OC[C@@H]2CC)nn1 ZINC000653778878 415102703 /nfs/dbraw/zinc/10/27/03/415102703.db2.gz QTYVWFDMJCVCGM-AWEZNQCLSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2CC)nn1 ZINC000653778878 415102708 /nfs/dbraw/zinc/10/27/08/415102708.db2.gz QTYVWFDMJCVCGM-AWEZNQCLSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC)C1 ZINC000661262712 415168092 /nfs/dbraw/zinc/16/80/92/415168092.db2.gz UIIJOWNXUBPGHW-ZDUSSCGKSA-N 1 2 276.384 2.401 20 30 CEEDLO C=CC[C@@H]1CCCC[C@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664143898 415190783 /nfs/dbraw/zinc/19/07/83/415190783.db2.gz CJMUZQNUTUVXNX-ZYHUDNBSSA-N 1 2 286.383 2.492 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156337 415233696 /nfs/dbraw/zinc/23/36/96/415233696.db2.gz IMRPVRRJPJBBQA-NEPJUHHUSA-N 1 2 264.373 2.176 20 30 CEEDLO C=CCOCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000664386595 415314250 /nfs/dbraw/zinc/31/42/50/415314250.db2.gz RPCBMQQSXARRNA-UHFFFAOYSA-N 1 2 276.384 2.472 20 30 CEEDLO C=CCOCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000664386595 415314258 /nfs/dbraw/zinc/31/42/58/415314258.db2.gz RPCBMQQSXARRNA-UHFFFAOYSA-N 1 2 276.384 2.472 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]cnc2c1cnn2C ZINC000664578562 415408922 /nfs/dbraw/zinc/40/89/22/415408922.db2.gz WGZXANQJUXWQQY-PHIMTYICSA-N 1 2 255.325 2.051 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661950792 415535014 /nfs/dbraw/zinc/53/50/14/415535014.db2.gz FNPHHKBUDUFVRW-ZDUSSCGKSA-N 1 2 259.353 2.265 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000656544457 415754788 /nfs/dbraw/zinc/75/47/88/415754788.db2.gz OYGBBSVOULRMRT-AWEZNQCLSA-N 1 2 276.384 2.271 20 30 CEEDLO COc1cc(C#N)ccc1OCC[NH+]1[C@H](C)COC[C@H]1C ZINC000077368461 177259033 /nfs/dbraw/zinc/25/90/33/177259033.db2.gz IOIIZPMUCDYXHA-CHWSQXEVSA-N 1 2 290.363 2.055 20 30 CEEDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329725313 227920104 /nfs/dbraw/zinc/92/01/04/227920104.db2.gz GEWCVWOFKGLZAY-NFAWXSAZSA-N 1 2 289.379 2.360 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)CCC1CCOCC1 ZINC000330044390 228026126 /nfs/dbraw/zinc/02/61/26/228026126.db2.gz HRJRGHQXBSWPGU-UHFFFAOYSA-N 1 2 251.330 2.381 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2CC(F)(F)C2)C1 ZINC000330230137 228073517 /nfs/dbraw/zinc/07/35/17/228073517.db2.gz WGJOTQCZOWADLT-NSHDSACASA-N 1 2 298.337 2.169 20 30 CEEDLO C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000332707870 228166112 /nfs/dbraw/zinc/16/61/12/228166112.db2.gz KODCWZMJFOCFCY-CZUORRHYSA-N 1 2 299.418 2.488 20 30 CEEDLO C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000332707870 228166113 /nfs/dbraw/zinc/16/61/13/228166113.db2.gz KODCWZMJFOCFCY-CZUORRHYSA-N 1 2 299.418 2.488 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336240284 228220228 /nfs/dbraw/zinc/22/02/28/228220228.db2.gz AHXZFNSOGIJTDL-MEBBXXQBSA-N 1 2 284.294 2.500 20 30 CEEDLO C=CCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@@H](C)COC ZINC000666496799 419694459 /nfs/dbraw/zinc/69/44/59/419694459.db2.gz VVFFVAONCOLUBL-ZDUSSCGKSA-N 1 2 277.368 2.175 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1(C#N)CC1 ZINC000408108794 260235339 /nfs/dbraw/zinc/23/53/39/260235339.db2.gz BOVIIYGAQHCFPU-AVGNSLFASA-N 1 2 262.353 2.096 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC1(C#N)CC1 ZINC000408108794 260235340 /nfs/dbraw/zinc/23/53/40/260235340.db2.gz BOVIIYGAQHCFPU-AVGNSLFASA-N 1 2 262.353 2.096 20 30 CEEDLO C=C(Br)C[NH+]1CCC(c2noc(C)n2)CC1 ZINC000363443445 260260319 /nfs/dbraw/zinc/26/03/19/260260319.db2.gz FQUKOPAFAHPSHA-UHFFFAOYSA-N 1 2 286.173 2.466 20 30 CEEDLO Cc1ccccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078687102 260301812 /nfs/dbraw/zinc/30/18/12/260301812.db2.gz QPLPIYHFEVHTTM-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1ccccc1C[N@H+](CCC#N)CCN1CCOCC1 ZINC000078687102 260301814 /nfs/dbraw/zinc/30/18/14/260301814.db2.gz QPLPIYHFEVHTTM-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1ccccc1C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000078687102 260301815 /nfs/dbraw/zinc/30/18/15/260301815.db2.gz QPLPIYHFEVHTTM-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135244069 260918798 /nfs/dbraw/zinc/91/87/98/260918798.db2.gz CENKXAMQSBMRLO-HNNXBMFYSA-N 1 2 285.391 2.198 20 30 CEEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135244069 260918800 /nfs/dbraw/zinc/91/88/00/260918800.db2.gz CENKXAMQSBMRLO-HNNXBMFYSA-N 1 2 285.391 2.198 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(CCC)s1 ZINC000490873754 261233786 /nfs/dbraw/zinc/23/37/86/261233786.db2.gz JZMBODDUCFGLSZ-GFCCVEGCSA-N 1 2 292.404 2.350 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(CCC)s1 ZINC000490873754 261233789 /nfs/dbraw/zinc/23/37/89/261233789.db2.gz JZMBODDUCFGLSZ-GFCCVEGCSA-N 1 2 292.404 2.350 20 30 CEEDLO COc1ccc(OCC[N@H+](C)[C@@H](C)CC#N)c([N+](=O)[O-])c1 ZINC000161937332 261263859 /nfs/dbraw/zinc/26/38/59/261263859.db2.gz NOISAIFSKOLEJX-NSHDSACASA-N 1 2 293.323 2.216 20 30 CEEDLO COc1ccc(OCC[N@@H+](C)[C@@H](C)CC#N)c([N+](=O)[O-])c1 ZINC000161937332 261263860 /nfs/dbraw/zinc/26/38/60/261263860.db2.gz NOISAIFSKOLEJX-NSHDSACASA-N 1 2 293.323 2.216 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000372180279 262261055 /nfs/dbraw/zinc/26/10/55/262261055.db2.gz IJABUPSLUWPZEU-ZDUSSCGKSA-N 1 2 288.395 2.234 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000339126810 262600153 /nfs/dbraw/zinc/60/01/53/262600153.db2.gz HGXLNJOYNSREHV-HLLBOEOZSA-N 1 2 286.375 2.458 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000339126810 262600155 /nfs/dbraw/zinc/60/01/55/262600155.db2.gz HGXLNJOYNSREHV-HLLBOEOZSA-N 1 2 286.375 2.458 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411482594 262695971 /nfs/dbraw/zinc/69/59/71/262695971.db2.gz SXGUVACHWAWUQO-JTQLQIEISA-N 1 2 260.297 2.040 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411482594 262695972 /nfs/dbraw/zinc/69/59/72/262695972.db2.gz SXGUVACHWAWUQO-JTQLQIEISA-N 1 2 260.297 2.040 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268440551 262952231 /nfs/dbraw/zinc/95/22/31/262952231.db2.gz GANXDGXLZINUAC-STQMWFEESA-N 1 2 287.363 2.142 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268440551 262952232 /nfs/dbraw/zinc/95/22/32/262952232.db2.gz GANXDGXLZINUAC-STQMWFEESA-N 1 2 287.363 2.142 20 30 CEEDLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000414481049 262957025 /nfs/dbraw/zinc/95/70/25/262957025.db2.gz BJQSUTUNDXXRIZ-UPJWGTAASA-N 1 2 250.342 2.000 20 30 CEEDLO CCC(O)(CC)CC/[NH+]=C/c1cccc(O)c1O ZINC000276377624 263036572 /nfs/dbraw/zinc/03/65/72/263036572.db2.gz KYRMDHPUNQZVBB-XNTDXEJSSA-N 1 2 251.326 2.458 20 30 CEEDLO Cc1cccc2[nH+]c(CSc3nnc(CC#N)n3C)cn21 ZINC000279894516 263058127 /nfs/dbraw/zinc/05/81/27/263058127.db2.gz IKUAPONEELMNHV-UHFFFAOYSA-N 1 2 298.375 2.130 20 30 CEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000284378298 263086734 /nfs/dbraw/zinc/08/67/34/263086734.db2.gz LVXCIRADZLCANW-CABZTGNLSA-N 1 2 279.296 2.124 20 30 CEEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000286368736 263098226 /nfs/dbraw/zinc/09/82/26/263098226.db2.gz HWTAVIXJIXHYJB-CYBMUJFWSA-N 1 2 260.337 2.452 20 30 CEEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000286368736 263098227 /nfs/dbraw/zinc/09/82/27/263098227.db2.gz HWTAVIXJIXHYJB-CYBMUJFWSA-N 1 2 260.337 2.452 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287795439 263102805 /nfs/dbraw/zinc/10/28/05/263102805.db2.gz OFKOUJPMVHOJGM-CYBMUJFWSA-N 1 2 252.745 2.089 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287795439 263102806 /nfs/dbraw/zinc/10/28/06/263102806.db2.gz OFKOUJPMVHOJGM-CYBMUJFWSA-N 1 2 252.745 2.089 20 30 CEEDLO CC(C)=CCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000288432040 263104339 /nfs/dbraw/zinc/10/43/39/263104339.db2.gz DHFLZTXPHCOXCM-UHFFFAOYSA-N 1 2 299.378 2.487 20 30 CEEDLO CC(C)(C#N)Cc1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000289059591 263107067 /nfs/dbraw/zinc/10/70/67/263107067.db2.gz GEHFUYBEPSVZLY-UHFFFAOYSA-N 1 2 294.318 2.410 20 30 CEEDLO N#CCCCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000291816973 263125722 /nfs/dbraw/zinc/12/57/22/263125722.db2.gz CRRZCHCUPXURPM-UHFFFAOYSA-N 1 2 289.354 2.164 20 30 CEEDLO C=CC[N@H+](CCC#N)CCC(=O)N1CCc2ccccc2C1 ZINC000292354140 263131328 /nfs/dbraw/zinc/13/13/28/263131328.db2.gz XPCDOTNQINOKOM-UHFFFAOYSA-N 1 2 297.402 2.363 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCC(=O)N1CCc2ccccc2C1 ZINC000292354140 263131329 /nfs/dbraw/zinc/13/13/29/263131329.db2.gz XPCDOTNQINOKOM-UHFFFAOYSA-N 1 2 297.402 2.363 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000295457148 263177756 /nfs/dbraw/zinc/17/77/56/263177756.db2.gz QOVAKCIOPPMZKV-UHFFFAOYSA-N 1 2 251.280 2.485 20 30 CEEDLO CC#CCN(C)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000341032997 263318293 /nfs/dbraw/zinc/31/82/93/263318293.db2.gz XROPWOSEKNSMQI-UHFFFAOYSA-N 1 2 269.348 2.217 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000341998642 263373577 /nfs/dbraw/zinc/37/35/77/263373577.db2.gz VHFRPYVJBRJZJH-UHFFFAOYSA-N 1 2 275.352 2.304 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2cc(OC)cc(C)n2)CC1 ZINC000342001117 263375050 /nfs/dbraw/zinc/37/50/50/263375050.db2.gz ZDIAUNZCWRHNPM-UHFFFAOYSA-N 1 2 289.379 2.151 20 30 CEEDLO COCC1(C#N)CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000343148171 263594618 /nfs/dbraw/zinc/59/46/18/263594618.db2.gz KKRHTWXGWVBLID-UHFFFAOYSA-N 1 2 284.363 2.330 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)o1 ZINC000330859894 264055348 /nfs/dbraw/zinc/05/53/48/264055348.db2.gz UMJHKOUAPNDLNC-GARJFASQSA-N 1 2 262.309 2.409 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)o1 ZINC000330859893 264055843 /nfs/dbraw/zinc/05/58/43/264055843.db2.gz UMJHKOUAPNDLNC-DCAQKATOSA-N 1 2 262.309 2.409 20 30 CEEDLO C=C(C)COCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331065005 264111637 /nfs/dbraw/zinc/11/16/37/264111637.db2.gz PZZRJAGVIXADGG-UHFFFAOYSA-N 1 2 292.383 2.096 20 30 CEEDLO C=C(C)COCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331065005 264111640 /nfs/dbraw/zinc/11/16/40/264111640.db2.gz PZZRJAGVIXADGG-UHFFFAOYSA-N 1 2 292.383 2.096 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)C[S@](C)=O)c(C)[nH+]1 ZINC000331228484 264151159 /nfs/dbraw/zinc/15/11/59/264151159.db2.gz FHHPDDWUXWSDOH-DGIBIBHMSA-N 1 2 283.397 2.100 20 30 CEEDLO N#Cc1ccsc1NC(=O)C[NH+]1C2CCC1CC2 ZINC000532915951 269978269 /nfs/dbraw/zinc/97/82/69/269978269.db2.gz VDCLZKXLEUOIRZ-UHFFFAOYSA-N 1 2 261.350 2.185 20 30 CEEDLO C#CCCCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000180371568 264402906 /nfs/dbraw/zinc/40/29/06/264402906.db2.gz QHGWKTHPPUYLDY-CABCVRRESA-N 1 2 273.380 2.486 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366819384 264794170 /nfs/dbraw/zinc/79/41/70/264794170.db2.gz MVQXVACGMCMDPY-CYBMUJFWSA-N 1 2 290.411 2.416 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1)C(=O)OC ZINC000356313016 266093708 /nfs/dbraw/zinc/09/37/08/266093708.db2.gz DBDDHUVQGBVGFS-SNPRPXQTSA-N 1 2 281.396 2.313 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357127314 266252659 /nfs/dbraw/zinc/25/26/59/266252659.db2.gz LXYUZLXLTMIKDJ-NWDGAFQWSA-N 1 2 263.341 2.054 20 30 CEEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000367490722 267094884 /nfs/dbraw/zinc/09/48/84/267094884.db2.gz XBJXALDWYPEWJX-MGPQQGTHSA-N 1 2 273.380 2.235 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492966482 267164270 /nfs/dbraw/zinc/16/42/70/267164270.db2.gz YLFHVSZNZAIDOT-XQRVVYSFSA-N 1 2 282.303 2.332 20 30 CEEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488978689 267225780 /nfs/dbraw/zinc/22/57/80/267225780.db2.gz ZKVQRNHSBJMJRH-INIZCTEOSA-N 1 2 285.391 2.309 20 30 CEEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488978689 267225786 /nfs/dbraw/zinc/22/57/86/267225786.db2.gz ZKVQRNHSBJMJRH-INIZCTEOSA-N 1 2 285.391 2.309 20 30 CEEDLO C=CCCC[N@@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000369410194 267240783 /nfs/dbraw/zinc/24/07/83/267240783.db2.gz BODLZNBDAUNGSY-MRXNPFEDSA-N 1 2 298.390 2.082 20 30 CEEDLO C=CCCC[N@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000369410194 267240784 /nfs/dbraw/zinc/24/07/84/267240784.db2.gz BODLZNBDAUNGSY-MRXNPFEDSA-N 1 2 298.390 2.082 20 30 CEEDLO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224572 267241604 /nfs/dbraw/zinc/24/16/04/267241604.db2.gz DWRYGNCOJSBSEF-JZKQVHKSSA-N 1 2 291.420 2.175 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)Nc1cccc(C#N)c1C ZINC000454989073 267257233 /nfs/dbraw/zinc/25/72/33/267257233.db2.gz BCVZFOPOEFEGTN-UHFFFAOYSA-N 1 2 283.335 2.405 20 30 CEEDLO CCn1nccc1C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000438995881 267263582 /nfs/dbraw/zinc/26/35/82/267263582.db2.gz DXYNXOHKRSOAIF-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO CCn1nccc1C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000438995881 267263586 /nfs/dbraw/zinc/26/35/86/267263586.db2.gz DXYNXOHKRSOAIF-UHFFFAOYSA-N 1 2 284.363 2.415 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433301318 267300434 /nfs/dbraw/zinc/30/04/34/267300434.db2.gz HCLSSWXGCNQMCV-HNNXBMFYSA-N 1 2 296.374 2.145 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433301318 267300436 /nfs/dbraw/zinc/30/04/36/267300436.db2.gz HCLSSWXGCNQMCV-HNNXBMFYSA-N 1 2 296.374 2.145 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000459370771 267310796 /nfs/dbraw/zinc/31/07/96/267310796.db2.gz RMDVSNLDHAWCGH-CQSZACIVSA-N 1 2 291.351 2.305 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000459370771 267310798 /nfs/dbraw/zinc/31/07/98/267310798.db2.gz RMDVSNLDHAWCGH-CQSZACIVSA-N 1 2 291.351 2.305 20 30 CEEDLO C=CCOCCCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000371299806 267385001 /nfs/dbraw/zinc/38/50/01/267385001.db2.gz KIKHLLCZONMEHJ-AWEZNQCLSA-N 1 2 291.395 2.168 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCSCC#N ZINC000371310174 267386941 /nfs/dbraw/zinc/38/69/41/267386941.db2.gz HJTJWQXVFXYXFR-CYBMUJFWSA-N 1 2 294.424 2.047 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCSCC#N ZINC000371310174 267386943 /nfs/dbraw/zinc/38/69/43/267386943.db2.gz HJTJWQXVFXYXFR-CYBMUJFWSA-N 1 2 294.424 2.047 20 30 CEEDLO N#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)s1 ZINC000531154637 268197482 /nfs/dbraw/zinc/19/74/82/268197482.db2.gz OHWCMCPOKHKLFE-UHFFFAOYSA-N 1 2 274.349 2.026 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000459391341 268291051 /nfs/dbraw/zinc/29/10/51/268291051.db2.gz PPNZJSAMIATOAW-WCQYABFASA-N 1 2 257.293 2.451 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000459391341 268291054 /nfs/dbraw/zinc/29/10/54/268291054.db2.gz PPNZJSAMIATOAW-WCQYABFASA-N 1 2 257.293 2.451 20 30 CEEDLO COCCOc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425205867 271139383 /nfs/dbraw/zinc/13/93/83/271139383.db2.gz JNOKBOSKOLTHOT-UHFFFAOYSA-N 1 2 297.358 2.321 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccc(C#N)o2)C1 ZINC000361168430 277212941 /nfs/dbraw/zinc/21/29/41/277212941.db2.gz KFMPGWZFYDUHCN-MRXNPFEDSA-N 1 2 267.332 2.428 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccc(C#N)o2)C1 ZINC000361168430 277212943 /nfs/dbraw/zinc/21/29/43/277212943.db2.gz KFMPGWZFYDUHCN-MRXNPFEDSA-N 1 2 267.332 2.428 20 30 CEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)cc3)CC2)S1 ZINC000266202251 278834771 /nfs/dbraw/zinc/83/47/71/278834771.db2.gz DPSIPUWUZZEKSH-GFCCVEGCSA-N 1 2 286.404 2.172 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@]2(CCCOC2)O1 ZINC000366459744 288212122 /nfs/dbraw/zinc/21/21/22/288212122.db2.gz MQQKWFAAKHWSEM-IUODEOHRSA-N 1 2 292.404 2.390 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@]2(CCCOC2)O1 ZINC000366459744 288212126 /nfs/dbraw/zinc/21/21/26/288212126.db2.gz MQQKWFAAKHWSEM-IUODEOHRSA-N 1 2 292.404 2.390 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352484660 281047202 /nfs/dbraw/zinc/04/72/02/281047202.db2.gz RXCBCNYNPKZFPP-KBPBESRZSA-N 1 2 295.402 2.494 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)[C@]3(C#N)C[C@@H]3C)ccc2n1C ZINC000334753294 282054100 /nfs/dbraw/zinc/05/41/00/282054100.db2.gz RRQIUJPHFWHOIS-VFZGTOFNSA-N 1 2 268.320 2.370 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000352458121 294791650 /nfs/dbraw/zinc/79/16/50/294791650.db2.gz GTUJNCBXASFLJC-UHFFFAOYSA-N 1 2 263.272 2.422 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)nc1 ZINC000562370485 298681208 /nfs/dbraw/zinc/68/12/08/298681208.db2.gz PLLBWWIRIZNUKP-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO N#Cc1ccnc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000282971057 303209282 /nfs/dbraw/zinc/20/92/82/303209282.db2.gz INMKMWXQFGYGSK-ZDUSSCGKSA-N 1 2 281.319 2.044 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(C)o2)cc1 ZINC000174123800 327775115 /nfs/dbraw/zinc/77/51/15/327775115.db2.gz AHIKFQFDMXTZSZ-UHFFFAOYSA-N 1 2 275.308 2.023 20 30 CEEDLO Cc1cc(NC(=O)c2sccc2C#N)c(C)c[nH+]1 ZINC000535748713 313396498 /nfs/dbraw/zinc/39/64/98/313396498.db2.gz YDUSRFRRFZUVFL-UHFFFAOYSA-N 1 2 257.318 2.306 20 30 CEEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccco1 ZINC000571533575 314095208 /nfs/dbraw/zinc/09/52/08/314095208.db2.gz VYEUVYJRJZZFHC-ZDUSSCGKSA-N 1 2 257.293 2.024 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)c2cscc2C#N)c2[nH+]ccn21 ZINC000571876117 314109562 /nfs/dbraw/zinc/10/95/62/314109562.db2.gz ATIQOGKESXHTRB-KCJUWKMLSA-N 1 2 272.333 2.252 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573336588 314153351 /nfs/dbraw/zinc/15/33/51/314153351.db2.gz USMPESYHVBSVCX-NSHDSACASA-N 1 2 268.320 2.407 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573336588 314153353 /nfs/dbraw/zinc/15/33/53/314153353.db2.gz USMPESYHVBSVCX-NSHDSACASA-N 1 2 268.320 2.407 20 30 CEEDLO CC(C)Oc1ccc(CO[NH+]=C(N)CCO)cc1Cl ZINC000186790071 327854351 /nfs/dbraw/zinc/85/43/51/327854351.db2.gz XAAOQFPPEDJFDT-UHFFFAOYSA-N 1 2 286.759 2.298 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnnn2Cc2ccccc2)CCC1 ZINC000582171029 328604674 /nfs/dbraw/zinc/60/46/74/328604674.db2.gz AUAHUEIRBULDNJ-UHFFFAOYSA-N 1 2 281.363 2.110 20 30 CEEDLO COc1cc(N2CC[NH+](CC3(C#N)CC3)CC2)ccc1F ZINC000338638532 327986494 /nfs/dbraw/zinc/98/64/94/327986494.db2.gz VQARPSSBAJYOQL-UHFFFAOYSA-N 1 2 289.354 2.260 20 30 CEEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1c(F)cccc1F ZINC000567995797 328001669 /nfs/dbraw/zinc/00/16/69/328001669.db2.gz VOYVTNLTKGFQPS-ZUZCIYMTSA-N 1 2 295.333 2.028 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000531563833 328018213 /nfs/dbraw/zinc/01/82/13/328018213.db2.gz OUZMSSSBBBLOCW-MQYJIDSJSA-N 1 2 272.352 2.056 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000366571199 328110138 /nfs/dbraw/zinc/11/01/38/328110138.db2.gz HZMAINMOFFEEFS-KGLIPLIRSA-N 1 2 286.375 2.184 20 30 CEEDLO CCc1noc(C)c1CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000268111918 328182558 /nfs/dbraw/zinc/18/25/58/328182558.db2.gz IPECORPDSLXJGL-NSHDSACASA-N 1 2 283.372 2.395 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000414474636 328185251 /nfs/dbraw/zinc/18/52/51/328185251.db2.gz YLKZFVOCKDIKNO-HNNXBMFYSA-N 1 2 265.328 2.422 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000414474636 328185252 /nfs/dbraw/zinc/18/52/52/328185252.db2.gz YLKZFVOCKDIKNO-HNNXBMFYSA-N 1 2 265.328 2.422 20 30 CEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CCCC#N ZINC000291763661 328266379 /nfs/dbraw/zinc/26/63/79/328266379.db2.gz UWRREORDXQTSRM-UHFFFAOYSA-N 1 2 288.273 2.098 20 30 CEEDLO C=CCn1c(N)nnc1SCc1ccc(C)[nH+]c1C ZINC000185341213 329270854 /nfs/dbraw/zinc/27/08/54/329270854.db2.gz ZIEFYPFBKFGOHB-UHFFFAOYSA-N 1 2 275.381 2.350 20 30 CEEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000340520885 328288321 /nfs/dbraw/zinc/28/83/21/328288321.db2.gz ANYZGTBEEUWNGU-QWHCGFSZSA-N 1 2 267.336 2.049 20 30 CEEDLO CC#CCN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312654 328453982 /nfs/dbraw/zinc/45/39/82/328453982.db2.gz KGGAKVXRFQFTIS-OAHLLOKOSA-N 1 2 281.359 2.413 20 30 CEEDLO C#C[C@@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000281951378 328506677 /nfs/dbraw/zinc/50/66/77/328506677.db2.gz IEDMOUCDSOOUSV-CYBMUJFWSA-N 1 2 269.348 2.119 20 30 CEEDLO C#Cc1ccc(C[NH2+][C@H](C)c2noc(COCC)n2)cc1 ZINC000291575480 328533565 /nfs/dbraw/zinc/53/35/65/328533565.db2.gz OGBNVGXFYFSCJT-GFCCVEGCSA-N 1 2 285.347 2.438 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000299515031 326935106 /nfs/dbraw/zinc/93/51/06/326935106.db2.gz UXWQKBQUQBWOTQ-JTQLQIEISA-N 1 2 250.298 2.010 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000584116114 327041946 /nfs/dbraw/zinc/04/19/46/327041946.db2.gz JWLGMQHXVDUXNH-FZMZJTMJSA-N 1 2 289.335 2.466 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000584116114 327041948 /nfs/dbraw/zinc/04/19/48/327041948.db2.gz JWLGMQHXVDUXNH-FZMZJTMJSA-N 1 2 289.335 2.466 20 30 CEEDLO CC[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330585227 327357670 /nfs/dbraw/zinc/35/76/70/327357670.db2.gz MRWGZIOKWLHREI-UHFFFAOYSA-N 1 2 293.323 2.089 20 30 CEEDLO Cn1ncc(C[NH+]2CCC(C#N)CC2)c1C(F)(F)F ZINC000150849247 327389300 /nfs/dbraw/zinc/38/93/00/327389300.db2.gz WWDKEDCQJZKDJZ-UHFFFAOYSA-N 1 2 272.274 2.174 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000362705681 328929454 /nfs/dbraw/zinc/92/94/54/328929454.db2.gz YFNPSHPTJQQSEF-GFCCVEGCSA-N 1 2 270.336 2.246 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373570869 328982646 /nfs/dbraw/zinc/98/26/46/328982646.db2.gz ZBGIGAIQOIKHAT-CYBMUJFWSA-N 1 2 288.395 2.234 20 30 CEEDLO C=CCCCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486457 329016454 /nfs/dbraw/zinc/01/64/54/329016454.db2.gz UWXKNLTUVHKHMH-LBPRGKRZSA-N 1 2 264.373 2.436 20 30 CEEDLO C=CCCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486457 329016456 /nfs/dbraw/zinc/01/64/56/329016456.db2.gz UWXKNLTUVHKHMH-LBPRGKRZSA-N 1 2 264.373 2.436 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC(C)(C)C#N)C1 ZINC000377676839 329024018 /nfs/dbraw/zinc/02/40/18/329024018.db2.gz KHQTVWAJMIUOCJ-GFCCVEGCSA-N 1 2 274.368 2.066 20 30 CEEDLO C=CC1CC[NH+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000175220563 329166714 /nfs/dbraw/zinc/16/67/14/329166714.db2.gz HIYBJGHRONGQGG-SNVBAGLBSA-N 1 2 251.330 2.175 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000184939172 329265668 /nfs/dbraw/zinc/26/56/68/329265668.db2.gz YVNMAJXHCYCBRQ-HNNXBMFYSA-N 1 2 287.407 2.328 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1nccn1CC(F)(F)F ZINC000189422076 329382191 /nfs/dbraw/zinc/38/21/91/329382191.db2.gz BHHAEBHRZBDFDU-UHFFFAOYSA-N 1 2 277.290 2.080 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1nccn1CC(F)(F)F ZINC000189422076 329382192 /nfs/dbraw/zinc/38/21/92/329382192.db2.gz BHHAEBHRZBDFDU-UHFFFAOYSA-N 1 2 277.290 2.080 20 30 CEEDLO C=CCN(CCOC)Cc1[nH+]ccn1CC(F)(F)F ZINC000189422076 329382193 /nfs/dbraw/zinc/38/21/93/329382193.db2.gz BHHAEBHRZBDFDU-UHFFFAOYSA-N 1 2 277.290 2.080 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000571749580 329919811 /nfs/dbraw/zinc/91/98/11/329919811.db2.gz KOJQVARKFTZFJY-JTQLQIEISA-N 1 2 276.302 2.070 20 30 CEEDLO C#CCC(CC#C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000277335132 330115842 /nfs/dbraw/zinc/11/58/42/330115842.db2.gz GTCORXOHVFYDNO-UHFFFAOYSA-N 1 2 297.402 2.207 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cccc(C)c2F)nn1 ZINC000424177358 330317505 /nfs/dbraw/zinc/31/75/05/330317505.db2.gz ZZACYEWADFEZDO-UHFFFAOYSA-N 1 2 260.316 2.201 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(CCC#N)CC1 ZINC000515379799 330476027 /nfs/dbraw/zinc/47/60/27/330476027.db2.gz UDTOTCAHPNHPMM-NSHDSACASA-N 1 2 292.408 2.486 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(SCC#N)c1 ZINC000431032356 330577918 /nfs/dbraw/zinc/57/79/18/330577918.db2.gz BQILYPIXNKJBRT-UHFFFAOYSA-N 1 2 286.360 2.298 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000155449089 330681829 /nfs/dbraw/zinc/68/18/29/330681829.db2.gz AZEDTGAVTNROGF-DYVFJYSZSA-N 1 2 285.391 2.445 20 30 CEEDLO Cc1csc(N2CC[NH+](CC3(C#N)CCC3)CC2)n1 ZINC000450259946 330969045 /nfs/dbraw/zinc/96/90/45/330969045.db2.gz ANANDFBZJSCQOY-UHFFFAOYSA-N 1 2 276.409 2.267 20 30 CEEDLO C=C(C)CCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455329253 331166338 /nfs/dbraw/zinc/16/63/38/331166338.db2.gz SKUKFHLMXYGOPT-LLVKDONJSA-N 1 2 250.346 2.229 20 30 CEEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459463458 331282877 /nfs/dbraw/zinc/28/28/77/331282877.db2.gz MFSXBCRNCQVMRN-YNEHKIRRSA-N 1 2 287.363 2.304 20 30 CEEDLO C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)CC(C)(C)C#N ZINC000459492936 331284943 /nfs/dbraw/zinc/28/49/43/331284943.db2.gz XQMQSZBTURIEQD-UHFFFAOYSA-N 1 2 260.341 2.041 20 30 CEEDLO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)CC(C)(C)C#N ZINC000459492936 331284944 /nfs/dbraw/zinc/28/49/44/331284944.db2.gz XQMQSZBTURIEQD-UHFFFAOYSA-N 1 2 260.341 2.041 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000491371089 332198572 /nfs/dbraw/zinc/19/85/72/332198572.db2.gz CKIYPEDSIIPFBV-SECBINFHSA-N 1 2 266.272 2.196 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000491371089 332198574 /nfs/dbraw/zinc/19/85/74/332198574.db2.gz CKIYPEDSIIPFBV-SECBINFHSA-N 1 2 266.272 2.196 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000491414395 332207421 /nfs/dbraw/zinc/20/74/21/332207421.db2.gz CKMFODUDKLRLSS-JQWIXIFHSA-N 1 2 250.367 2.448 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000491414395 332207422 /nfs/dbraw/zinc/20/74/22/332207422.db2.gz CKMFODUDKLRLSS-JQWIXIFHSA-N 1 2 250.367 2.448 20 30 CEEDLO C#CCN(C(=O)NCc1c[nH+]c(C)cc1C)C1CC1 ZINC000491556733 332237973 /nfs/dbraw/zinc/23/79/73/332237973.db2.gz YVNOBKHDOGSEPM-UHFFFAOYSA-N 1 2 257.337 2.006 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000491616899 332243833 /nfs/dbraw/zinc/24/38/33/332243833.db2.gz AKOIRTCZNIMSGG-HIFRSBDPSA-N 1 2 297.333 2.075 20 30 CEEDLO C#C[C@@H](CC)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000491694280 332290519 /nfs/dbraw/zinc/29/05/19/332290519.db2.gz FFVNUCPAPXQNBN-AWEZNQCLSA-N 1 2 290.411 2.279 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000491712171 332303514 /nfs/dbraw/zinc/30/35/14/332303514.db2.gz XQXSILZCVGNBGA-SNVBAGLBSA-N 1 2 289.360 2.295 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000491712171 332303515 /nfs/dbraw/zinc/30/35/15/332303515.db2.gz XQXSILZCVGNBGA-SNVBAGLBSA-N 1 2 289.360 2.295 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000491740889 332319799 /nfs/dbraw/zinc/31/97/99/332319799.db2.gz RGAGQPANZBNHIU-CHWSQXEVSA-N 1 2 288.395 2.315 20 30 CEEDLO C#C[C@H](C)N(C)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000491779779 332344532 /nfs/dbraw/zinc/34/45/32/332344532.db2.gz KSDDDQLGEDHDBI-LBPRGKRZSA-N 1 2 277.331 2.273 20 30 CEEDLO C#CC[N@@H+](CC)Cc1cc(OC)c(OC)cc1F ZINC000491786068 332348898 /nfs/dbraw/zinc/34/88/98/332348898.db2.gz UBFKNYZZRGAAGD-UHFFFAOYSA-N 1 2 251.301 2.298 20 30 CEEDLO C#CC[N@H+](CC)Cc1cc(OC)c(OC)cc1F ZINC000491786068 332348899 /nfs/dbraw/zinc/34/88/99/332348899.db2.gz UBFKNYZZRGAAGD-UHFFFAOYSA-N 1 2 251.301 2.298 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000491807169 332360320 /nfs/dbraw/zinc/36/03/20/332360320.db2.gz BVAZDXGPDJYYIT-JTQLQIEISA-N 1 2 259.284 2.329 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000491807169 332360321 /nfs/dbraw/zinc/36/03/21/332360321.db2.gz BVAZDXGPDJYYIT-JTQLQIEISA-N 1 2 259.284 2.329 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492130560 332383991 /nfs/dbraw/zinc/38/39/91/332383991.db2.gz HAHQWZXUBOWSCE-NSHDSACASA-N 1 2 255.362 2.135 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492130560 332383993 /nfs/dbraw/zinc/38/39/93/332383993.db2.gz HAHQWZXUBOWSCE-NSHDSACASA-N 1 2 255.362 2.135 20 30 CEEDLO C=CC1CCN(C(=O)/C=C\c2[nH+]ccn2CC)CC1 ZINC000492486890 332399724 /nfs/dbraw/zinc/39/97/24/332399724.db2.gz CBOPVVPZYQCUGQ-WAYWQWQTSA-N 1 2 259.353 2.341 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000575827320 335120169 /nfs/dbraw/zinc/12/01/69/335120169.db2.gz OYKVBIBPZXVQIS-ZBFHGGJFSA-N 1 2 296.374 2.215 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000550127716 334213852 /nfs/dbraw/zinc/21/38/52/334213852.db2.gz IJYCFZGDFSTPOH-AWEZNQCLSA-N 1 2 272.392 2.381 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000550127716 334213854 /nfs/dbraw/zinc/21/38/54/334213854.db2.gz IJYCFZGDFSTPOH-AWEZNQCLSA-N 1 2 272.392 2.381 20 30 CEEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Cl)s1 ZINC000555482956 334479714 /nfs/dbraw/zinc/47/97/14/334479714.db2.gz PBDUSQWYMNFHMK-NOZJJQNGSA-N 1 2 299.827 2.465 20 30 CEEDLO C=CCN(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000153847107 334680994 /nfs/dbraw/zinc/68/09/94/334680994.db2.gz LFFIUVKOALYPCB-UHFFFAOYSA-N 1 2 298.390 2.301 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2OC)C1=O ZINC000576764653 335245238 /nfs/dbraw/zinc/24/52/38/335245238.db2.gz ACPDCHJNLRFCGD-STQMWFEESA-N 1 2 287.363 2.082 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1cccs1 ZINC000577443983 335352790 /nfs/dbraw/zinc/35/27/90/335352790.db2.gz XDCOCBACXUNUOS-AWEZNQCLSA-N 1 2 279.409 2.031 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1csc(C(=O)OC)c1 ZINC000579730722 335876211 /nfs/dbraw/zinc/87/62/11/335876211.db2.gz SZIZKJROTKLIRF-SNVBAGLBSA-N 1 2 252.339 2.317 20 30 CEEDLO C[C@@H]1OCC[C@@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329129966 534167518 /nfs/dbraw/zinc/16/75/18/534167518.db2.gz WOYJCSSDAHZVJE-JQWIXIFHSA-N 1 2 263.341 2.101 20 30 CEEDLO Cc1ccc(N[C@H]2CCCN(c3cccc[nH+]3)C2)nc1C#N ZINC000364988323 525974681 /nfs/dbraw/zinc/97/46/81/525974681.db2.gz XLKHRULNZXCRJH-AWEZNQCLSA-N 1 2 293.374 2.160 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356117105 526505475 /nfs/dbraw/zinc/50/54/75/526505475.db2.gz VXKRJWRGRDXXOY-SNVBAGLBSA-N 1 2 293.392 2.178 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356117105 526505480 /nfs/dbraw/zinc/50/54/80/526505480.db2.gz VXKRJWRGRDXXOY-SNVBAGLBSA-N 1 2 293.392 2.178 20 30 CEEDLO C=CCN1CC[C@H]([NH2+]C2(C(F)F)CCCCC2)C1=O ZINC000352210730 526512727 /nfs/dbraw/zinc/51/27/27/526512727.db2.gz HVNWBIBGQBUNFO-NSHDSACASA-N 1 2 272.339 2.331 20 30 CEEDLO N#Cc1cc(NCCn2cc[nH+]c2)nc2ccccc12 ZINC000068770201 526571640 /nfs/dbraw/zinc/57/16/40/526571640.db2.gz IRZWRGDUCSSOQK-UHFFFAOYSA-N 1 2 263.304 2.415 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)cc1 ZINC000053096703 526625066 /nfs/dbraw/zinc/62/50/66/526625066.db2.gz UYFFZQUPDODJHT-UHFFFAOYSA-N 1 2 281.363 2.166 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)OCC ZINC000332445496 526808286 /nfs/dbraw/zinc/80/82/86/526808286.db2.gz XUWRIZYGRHILQC-STQMWFEESA-N 1 2 277.368 2.445 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1nn(CC)nc1C ZINC000295263964 526950703 /nfs/dbraw/zinc/95/07/03/526950703.db2.gz VEDJBIMZYIUDAK-UHFFFAOYSA-N 1 2 286.379 2.461 20 30 CEEDLO C=CCCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000350837620 527219258 /nfs/dbraw/zinc/21/92/58/527219258.db2.gz XTPKXXKVGUCXIX-UHFFFAOYSA-N 1 2 288.395 2.188 20 30 CEEDLO CCC[C@@H]1C[C@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000330347064 527841304 /nfs/dbraw/zinc/84/13/04/527841304.db2.gz HIFSPNZBMKOLQZ-JHJVBQTASA-N 1 2 276.384 2.312 20 30 CEEDLO CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000330303154 528979087 /nfs/dbraw/zinc/97/90/87/528979087.db2.gz JTMSFDQPTUXFMU-GFCCVEGCSA-N 1 2 277.368 2.361 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000728569842 574467402 /nfs/dbraw/zinc/46/74/02/574467402.db2.gz QQCBESZAUNPGQC-HNNXBMFYSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000728569842 574467403 /nfs/dbraw/zinc/46/74/03/574467403.db2.gz QQCBESZAUNPGQC-HNNXBMFYSA-N 1 2 290.338 2.425 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2ccc(N(C)C)cc2)nn1 ZINC000729935743 574496707 /nfs/dbraw/zinc/49/67/07/574496707.db2.gz MXPSZOPPKJQRKX-UHFFFAOYSA-N 1 2 255.325 2.297 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000730282186 574513512 /nfs/dbraw/zinc/51/35/12/574513512.db2.gz HOKKRMYBABXKNP-HNNXBMFYSA-N 1 2 284.359 2.048 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000730282186 574513513 /nfs/dbraw/zinc/51/35/13/574513513.db2.gz HOKKRMYBABXKNP-HNNXBMFYSA-N 1 2 284.359 2.048 20 30 CEEDLO Nc1ncccc1C=[NH+]Nc1ccccc1[N+](=O)[O-] ZINC000764648805 574600716 /nfs/dbraw/zinc/60/07/16/574600716.db2.gz KHVBLIHFHVXOCG-UHFFFAOYSA-N 1 2 257.253 2.018 20 30 CEEDLO C=C(Cl)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000731914352 574605912 /nfs/dbraw/zinc/60/59/12/574605912.db2.gz ZJPHFDMSRHDKEQ-UHFFFAOYSA-N 1 2 264.712 2.481 20 30 CEEDLO CC(C)c1nc(NCCNc2ccc(C#N)cn2)cc[nH+]1 ZINC000731920090 574606038 /nfs/dbraw/zinc/60/60/38/574606038.db2.gz FVIQBQIPJFRLAO-UHFFFAOYSA-N 1 2 282.351 2.391 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCc2cc(OC)ccc21 ZINC000732055223 574611131 /nfs/dbraw/zinc/61/11/31/574611131.db2.gz BNNHUOIOGNUDRE-KRWDZBQOSA-N 1 2 298.386 2.072 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCc2cc(OC)ccc21 ZINC000732055223 574611132 /nfs/dbraw/zinc/61/11/32/574611132.db2.gz BNNHUOIOGNUDRE-KRWDZBQOSA-N 1 2 298.386 2.072 20 30 CEEDLO COc1c(C)c[nH+]c(CNC[C@H](C#N)CCC#N)c1C ZINC000732919615 574635709 /nfs/dbraw/zinc/63/57/09/574635709.db2.gz NPUSAUHHVCFFLD-ZDUSSCGKSA-N 1 2 272.352 2.240 20 30 CEEDLO COc1c(C)cnc(C[NH2+]C[C@H](C#N)CCC#N)c1C ZINC000732919615 574635712 /nfs/dbraw/zinc/63/57/12/574635712.db2.gz NPUSAUHHVCFFLD-ZDUSSCGKSA-N 1 2 272.352 2.240 20 30 CEEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC1(C#N)CCCCC1 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ZINC000894195501 629201920 /nfs/dbraw/zinc/20/19/20/629201920.db2.gz JWYVZBOGTQXYLU-WFASDCNBSA-N 1 2 292.404 2.390 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@]2(CCCOC2)O1 ZINC000894195501 629201922 /nfs/dbraw/zinc/20/19/22/629201922.db2.gz JWYVZBOGTQXYLU-WFASDCNBSA-N 1 2 292.404 2.390 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000894309175 629335677 /nfs/dbraw/zinc/33/56/77/629335677.db2.gz OGRJAFSVUUFTHH-ZDUSSCGKSA-N 1 2 276.384 2.196 20 30 CEEDLO C#C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000894553927 629531282 /nfs/dbraw/zinc/53/12/82/629531282.db2.gz URIRCCGDJYWVOL-UONOGXRCSA-N 1 2 297.807 2.181 20 30 CEEDLO CSCCON=C1CCN(c2cccc[nH+]2)CC1 ZINC000794574050 630002640 /nfs/dbraw/zinc/00/26/40/630002640.db2.gz RUBBMRALZMBFPQ-UHFFFAOYSA-N 1 2 265.382 2.417 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1c(Cl)n[nH]c1CC ZINC000895471612 630215027 /nfs/dbraw/zinc/21/50/27/630215027.db2.gz UNIMFGBIYXUELN-UHFFFAOYSA-N 1 2 269.776 2.097 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1c(Cl)n[nH]c1CC ZINC000895471612 630215032 /nfs/dbraw/zinc/21/50/32/630215032.db2.gz UNIMFGBIYXUELN-UHFFFAOYSA-N 1 2 269.776 2.097 20 30 CEEDLO COC(=O)[C@H](CC1CCOCC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000895592649 630269204 /nfs/dbraw/zinc/26/92/04/630269204.db2.gz WQBVOZNSFDRKBI-ILXRZTDVSA-N 1 2 294.395 2.017 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000895669942 630299928 /nfs/dbraw/zinc/29/99/28/630299928.db2.gz MFJAAHROFLIWNG-UHFFFAOYSA-N 1 2 281.302 2.021 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C(=O)OC ZINC000895752964 630330356 /nfs/dbraw/zinc/33/03/56/630330356.db2.gz GEVWGSGYBXVUAF-KLNSDEMFSA-N 1 2 267.369 2.041 20 30 CEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000895964901 630420568 /nfs/dbraw/zinc/42/05/68/630420568.db2.gz ZTPYGJFEIIRVLU-HNNXBMFYSA-N 1 2 272.348 2.046 20 30 CEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000895964901 630420570 /nfs/dbraw/zinc/42/05/70/630420570.db2.gz ZTPYGJFEIIRVLU-HNNXBMFYSA-N 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/nfs/dbraw/zinc/22/48/69/632224869.db2.gz QZKGAKABSXHQKM-UHFFFAOYSA-N 1 2 268.316 2.040 20 30 CEEDLO Cc1ccc(F)c(N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000811644541 632411557 /nfs/dbraw/zinc/41/15/57/632411557.db2.gz AGJNYESZCVDLRD-UHFFFAOYSA-N 1 2 275.331 2.380 20 30 CEEDLO C#CCN(C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C(C)C ZINC000923925429 632438762 /nfs/dbraw/zinc/43/87/62/632438762.db2.gz ZAXHENAKNIALQU-MRXNPFEDSA-N 1 2 285.391 2.226 20 30 CEEDLO C#CCN(C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C(C)C ZINC000923925429 632438770 /nfs/dbraw/zinc/43/87/70/632438770.db2.gz ZAXHENAKNIALQU-MRXNPFEDSA-N 1 2 285.391 2.226 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)CCCC#N)c1C ZINC000812491095 632537986 /nfs/dbraw/zinc/53/79/86/632537986.db2.gz LOGRIURVGAUNMJ-UHFFFAOYSA-N 1 2 261.325 2.017 20 30 CEEDLO C=C1CN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000898701077 632579299 /nfs/dbraw/zinc/57/92/99/632579299.db2.gz JHWNKQDNLREILG-UHFFFAOYSA-N 1 2 277.274 2.021 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000813772889 632733909 /nfs/dbraw/zinc/73/39/09/632733909.db2.gz UCUMFUGTKIPRMH-UHFFFAOYSA-N 1 2 262.744 2.169 20 30 CEEDLO CN(C)c1ncc(C=[NH+]Nc2cc(F)cc(F)c2)cn1 ZINC000814813058 632902385 /nfs/dbraw/zinc/90/23/85/632902385.db2.gz GUFNJFJRGSLEQQ-UHFFFAOYSA-N 1 2 277.278 2.267 20 30 CEEDLO C=CCC1(O)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000899592726 632912652 /nfs/dbraw/zinc/91/26/52/632912652.db2.gz XTKULRBQWRIFPB-UHFFFAOYSA-N 1 2 299.374 2.186 20 30 CEEDLO C=CCC(F)(F)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000815383780 633005892 /nfs/dbraw/zinc/00/58/92/633005892.db2.gz WRSOPIFDUPBNIW-LLVKDONJSA-N 1 2 269.295 2.258 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)nn1 ZINC000818346602 633914167 /nfs/dbraw/zinc/91/41/67/633914167.db2.gz FUCASAYCBOYPMR-GFCCVEGCSA-N 1 2 289.770 2.290 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Cl)nc2)nn1 ZINC000818345600 633914375 /nfs/dbraw/zinc/91/43/75/633914375.db2.gz FVJLUXFEHSXEIP-SNVBAGLBSA-N 1 2 277.759 2.363 20 30 CEEDLO CC1(C)CC2(CC(=NNCCCn3cc[nH+]c3)C2)CO1 ZINC000901261858 634026317 /nfs/dbraw/zinc/02/63/17/634026317.db2.gz PXGWGPMWMQSCLN-UHFFFAOYSA-N 1 2 276.384 2.198 20 30 CEEDLO CC[C@H]1C[C@@H](C=[NH+]n2nnc3c2CCCC3)CCO1 ZINC000901331505 634047639 /nfs/dbraw/zinc/04/76/39/634047639.db2.gz RAZWUWMQTBBMIP-RYUDHWBXSA-N 1 2 262.357 2.196 20 30 CEEDLO CCn1c[nH+]cc1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000901529182 634160197 /nfs/dbraw/zinc/16/01/97/634160197.db2.gz DUGJCYDAGBOUPH-BJMVGYQFSA-N 1 2 294.314 2.088 20 30 CEEDLO C#C[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819931440 634289085 /nfs/dbraw/zinc/28/90/85/634289085.db2.gz NVQVBYNTBYDAGX-TZMCWYRMSA-N 1 2 267.332 2.070 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccncc1 ZINC000820018048 634314315 /nfs/dbraw/zinc/31/43/15/634314315.db2.gz LMBAKDOMGZBTQP-MGPQQGTHSA-N 1 2 282.347 2.342 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccncc1 ZINC000820018048 634314321 /nfs/dbraw/zinc/31/43/21/634314321.db2.gz LMBAKDOMGZBTQP-MGPQQGTHSA-N 1 2 282.347 2.342 20 30 CEEDLO CC(C)C#CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000822493441 634931203 /nfs/dbraw/zinc/93/12/03/634931203.db2.gz VSJIQVMGOFNTNA-UHFFFAOYSA-N 1 2 285.391 2.348 20 30 CEEDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903105671 634972743 /nfs/dbraw/zinc/97/27/43/634972743.db2.gz HMVCFCJJFKPDCS-ZDUSSCGKSA-N 1 2 292.404 2.051 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC000824010412 635322354 /nfs/dbraw/zinc/32/23/54/635322354.db2.gz POVIFZJNDZDKGQ-MCIONIFRSA-N 1 2 265.316 2.004 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC000824010412 635322360 /nfs/dbraw/zinc/32/23/60/635322360.db2.gz POVIFZJNDZDKGQ-MCIONIFRSA-N 1 2 265.316 2.004 20 30 CEEDLO N#CCC[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824302577 635400560 /nfs/dbraw/zinc/40/05/60/635400560.db2.gz XVPRLAXAHQTLPF-UHFFFAOYSA-N 1 2 283.331 2.375 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+](CCF)CCOC ZINC000827060273 636203158 /nfs/dbraw/zinc/20/31/58/636203158.db2.gz FLGSGJQPNUTAFY-UHFFFAOYSA-N 1 2 265.328 2.117 20 30 CEEDLO C#CCOc1ccccc1C[N@H+](CCF)CCOC ZINC000827060273 636203163 /nfs/dbraw/zinc/20/31/63/636203163.db2.gz FLGSGJQPNUTAFY-UHFFFAOYSA-N 1 2 265.328 2.117 20 30 CEEDLO C=CC(C)(C)CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000876320416 650244152 /nfs/dbraw/zinc/24/41/52/650244152.db2.gz BDNSKJCPKXHIMV-LBPRGKRZSA-N 1 2 276.384 2.099 20 30 CEEDLO CCOCc1nc(C)cc(N=NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000905500784 636300076 /nfs/dbraw/zinc/30/00/76/636300076.db2.gz CDTJJQLQWZDDNS-UHFFFAOYSA-N 1 2 288.355 2.107 20 30 CEEDLO COC(=O)/C=C/c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000827650872 636375915 /nfs/dbraw/zinc/37/59/15/636375915.db2.gz WPSKLMAYMFVGKY-LLYBFZRZSA-N 1 2 274.320 2.201 20 30 CEEDLO COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000827650872 636375921 /nfs/dbraw/zinc/37/59/21/636375921.db2.gz WPSKLMAYMFVGKY-LLYBFZRZSA-N 1 2 274.320 2.201 20 30 CEEDLO C#CC[N@H+](Cn1c2cc(C)ccc2oc1=O)C(C)C ZINC000905741037 636426741 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C=C(C)C(C)(C)C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001269464077 805172781 /nfs/dbraw/zinc/17/27/81/805172781.db2.gz FCOFTPKVLIONDP-UHFFFAOYSA-N 1 2 293.436 2.484 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001038411746 805323769 /nfs/dbraw/zinc/32/37/69/805323769.db2.gz RTCQSDRLRSLWOG-CQSZACIVSA-N 1 2 297.402 2.207 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001038411746 805323779 /nfs/dbraw/zinc/32/37/79/805323779.db2.gz RTCQSDRLRSLWOG-CQSZACIVSA-N 1 2 297.402 2.207 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001270666245 805512827 /nfs/dbraw/zinc/51/28/27/805512827.db2.gz SNRBDESSBCRUQX-OAHLLOKOSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001270666245 805512832 /nfs/dbraw/zinc/51/28/32/805512832.db2.gz SNRBDESSBCRUQX-OAHLLOKOSA-N 1 2 294.439 2.206 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC001030659144 807290493 /nfs/dbraw/zinc/29/04/93/807290493.db2.gz 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C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235659297 807848439 /nfs/dbraw/zinc/84/84/39/807848439.db2.gz WBAKBFCBTRFFHN-KOLCDFICSA-N 1 2 266.291 2.182 20 30 CEEDLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235659297 807848442 /nfs/dbraw/zinc/84/84/42/807848442.db2.gz WBAKBFCBTRFFHN-KOLCDFICSA-N 1 2 266.291 2.182 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(Cl)cc2)C1 ZINC001031291139 807870789 /nfs/dbraw/zinc/87/07/89/807870789.db2.gz LMUYATSPEPPRIO-UHFFFAOYSA-N 1 2 264.756 2.330 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001031297144 807876097 /nfs/dbraw/zinc/87/60/97/807876097.db2.gz ZMPPPUBCMQTKHU-UHFFFAOYSA-N 1 2 296.292 2.143 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC001031355353 807929067 /nfs/dbraw/zinc/92/90/67/807929067.db2.gz YEXUFEFVGGIVQU-UHFFFAOYSA-N 1 2 296.414 2.322 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001031401963 807947264 /nfs/dbraw/zinc/94/72/64/807947264.db2.gz SQZUHMXYEKQUIL-UHFFFAOYSA-N 1 2 276.355 2.433 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001031475976 807971978 /nfs/dbraw/zinc/97/19/78/807971978.db2.gz NAZYJVPVEAJFKE-UHFFFAOYSA-N 1 2 293.436 2.332 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094710860 815164783 /nfs/dbraw/zinc/16/47/83/815164783.db2.gz SSESIDWHGDUFFA-CYBMUJFWSA-N 1 2 276.384 2.306 20 30 CEEDLO N#Cc1cnc(Nc2nccnc2C[NH3+])c2sccc21 ZINC001171450577 815167215 /nfs/dbraw/zinc/16/72/15/815167215.db2.gz VGTMTZWLYVLSEV-UHFFFAOYSA-N 1 2 282.332 2.160 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc[nH]c2CCC)C1 ZINC001031913235 808199598 /nfs/dbraw/zinc/19/95/98/808199598.db2.gz VSKFXRJWCAPJQQ-UHFFFAOYSA-N 1 2 295.814 2.381 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccn(C)c2CC)C1 ZINC001031979628 808224355 /nfs/dbraw/zinc/22/43/55/808224355.db2.gz JPAAASZCNODHNS-UHFFFAOYSA-N 1 2 295.814 2.002 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001032094947 808280268 /nfs/dbraw/zinc/28/02/68/808280268.db2.gz 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C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001033280379 809256560 /nfs/dbraw/zinc/25/65/60/809256560.db2.gz NWKLNVDDHOMBBO-VNHYZAJKSA-N 1 2 282.815 2.462 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001033280379 809256563 /nfs/dbraw/zinc/25/65/63/809256563.db2.gz NWKLNVDDHOMBBO-VNHYZAJKSA-N 1 2 282.815 2.462 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001033346337 809279063 /nfs/dbraw/zinc/27/90/63/809279063.db2.gz OUQBBAVAWZPKSY-GFCCVEGCSA-N 1 2 282.771 2.487 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001033346337 809279067 /nfs/dbraw/zinc/27/90/67/809279067.db2.gz OUQBBAVAWZPKSY-GFCCVEGCSA-N 1 2 282.771 2.487 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033437427 809301543 /nfs/dbraw/zinc/30/15/43/809301543.db2.gz VNGNFEPRSFMOTB-CYBMUJFWSA-N 1 2 290.411 2.256 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033437427 809301550 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811220832 /nfs/dbraw/zinc/22/08/32/811220832.db2.gz FYVNXPOTMBVVGL-HOCLYGCPSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108308114 811220837 /nfs/dbraw/zinc/22/08/37/811220837.db2.gz FYVNXPOTMBVVGL-HOCLYGCPSA-N 1 2 282.428 2.062 20 30 CEEDLO COc1cc(C#N)cnc1NCCc1cn2ccccc2[nH+]1 ZINC001169000110 811328607 /nfs/dbraw/zinc/32/86/07/811328607.db2.gz BXLJFDNSKNABEK-UHFFFAOYSA-N 1 2 293.330 2.264 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001042868596 811333039 /nfs/dbraw/zinc/33/30/39/811333039.db2.gz BFUVSFNVJXNEAV-NSHDSACASA-N 1 2 272.339 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001043137190 811353524 /nfs/dbraw/zinc/35/35/24/811353524.db2.gz RLCNSGHZGSAXAH-MGPQQGTHSA-N 1 2 262.397 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001043843603 811411775 /nfs/dbraw/zinc/41/17/75/811411775.db2.gz NGEZZZUBQFADMT-LLVKDONJSA-N 1 2 264.394 2.180 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001043917088 811414673 /nfs/dbraw/zinc/41/46/73/811414673.db2.gz CHWVWJOKCYIUHK-UKRRQHHQSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001044112933 811440133 /nfs/dbraw/zinc/44/01/33/811440133.db2.gz AEDXMNCOZQONSL-HUUCEWRRSA-N 1 2 262.397 2.141 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001044273769 811464622 /nfs/dbraw/zinc/46/46/22/811464622.db2.gz AQXFOVZFWBWZBU-UHFFFAOYSA-N 1 2 276.405 2.144 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3cnccc32)C1 ZINC001044294172 811467097 /nfs/dbraw/zinc/46/70/97/811467097.db2.gz RSINPUOUGAGWRA-UHFFFAOYSA-N 1 2 281.359 2.177 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc3ccccc3n2C)C1 ZINC001044350009 811473896 /nfs/dbraw/zinc/47/38/96/811473896.db2.gz MAQZMNNKCSOCPD-UHFFFAOYSA-N 1 2 297.402 2.049 20 30 CEEDLO Cc1ncc(C#N)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212666568 815458889 /nfs/dbraw/zinc/45/88/89/815458889.db2.gz VJFHLBDHSWZSKU-UHFFFAOYSA-N 1 2 294.358 2.182 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(Cl)ccc1CC#N ZINC001169659725 811610005 /nfs/dbraw/zinc/61/00/05/811610005.db2.gz IVVSUEJSEAKTJI-CYBMUJFWSA-N 1 2 279.771 2.149 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1cc(Cl)ccc1CC#N ZINC001169659725 811610011 /nfs/dbraw/zinc/61/00/11/811610011.db2.gz IVVSUEJSEAKTJI-CYBMUJFWSA-N 1 2 279.771 2.149 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CC3)C2 ZINC001096062261 811669985 /nfs/dbraw/zinc/66/99/85/811669985.db2.gz JLLHSLMETGHETQ-NDBYEHHHSA-N 1 2 280.799 2.261 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CC3)C2 ZINC001096062261 811669988 /nfs/dbraw/zinc/66/99/88/811669988.db2.gz JLLHSLMETGHETQ-NDBYEHHHSA-N 1 2 280.799 2.261 20 30 CEEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169873447 811699676 /nfs/dbraw/zinc/69/96/76/811699676.db2.gz MGJVWSPJEFHJIQ-RUXDESIVSA-N 1 2 286.441 2.260 20 30 CEEDLO CCCC[N@H+](CC#N)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172632025 815479450 /nfs/dbraw/zinc/47/94/50/815479450.db2.gz QLKSCRWJSHQTDT-QWHCGFSZSA-N 1 2 252.358 2.344 20 30 CEEDLO CCCC[N@@H+](CC#N)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172632025 815479451 /nfs/dbraw/zinc/47/94/51/815479451.db2.gz QLKSCRWJSHQTDT-QWHCGFSZSA-N 1 2 252.358 2.344 20 30 CEEDLO C=C1CC(C)(C(=O)N[C@H](C)CN(C)c2cc[nH+]c(C)n2)C1 ZINC001109233104 811845813 /nfs/dbraw/zinc/84/58/13/811845813.db2.gz NQBDUKBXOOJCIC-GFCCVEGCSA-N 1 2 288.395 2.082 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OCCC(C)C)CC1 ZINC001113716454 812306605 /nfs/dbraw/zinc/30/66/05/812306605.db2.gz CLTGTGHHAPCKCX-HNNXBMFYSA-N 1 2 282.428 2.158 20 30 CEEDLO C=C(C)CCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113730528 812307243 /nfs/dbraw/zinc/30/72/43/812307243.db2.gz FIKHXEMNXIMSDU-GFCCVEGCSA-N 1 2 276.384 2.082 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1)C2 ZINC001097115266 812327895 /nfs/dbraw/zinc/32/78/95/812327895.db2.gz YSEMZWKAFTXMFC-UPJWGTAASA-N 1 2 279.771 2.102 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1)C2 ZINC001097115266 812327902 /nfs/dbraw/zinc/32/79/02/812327902.db2.gz YSEMZWKAFTXMFC-UPJWGTAASA-N 1 2 279.771 2.102 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3occc3C)cc2C1 ZINC001054255537 812555767 /nfs/dbraw/zinc/55/57/67/812555767.db2.gz RYOCGZCAMZUSDW-UHFFFAOYSA-N 1 2 294.354 2.467 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3occc3C)cc2C1 ZINC001054255537 812555772 /nfs/dbraw/zinc/55/57/72/812555772.db2.gz RYOCGZCAMZUSDW-UHFFFAOYSA-N 1 2 294.354 2.467 20 30 CEEDLO CC[C@@H](CC#N)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001255164788 812725854 /nfs/dbraw/zinc/72/58/54/812725854.db2.gz NWOZIZRZTCUBDD-NSHDSACASA-N 1 2 255.362 2.135 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001255164788 812725858 /nfs/dbraw/zinc/72/58/58/812725858.db2.gz NWOZIZRZTCUBDD-NSHDSACASA-N 1 2 255.362 2.135 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001131896886 812753136 /nfs/dbraw/zinc/75/31/36/812753136.db2.gz WXRMJYIQQGQCDU-TZMCWYRMSA-N 1 2 291.395 2.418 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001131896886 812753143 /nfs/dbraw/zinc/75/31/43/812753143.db2.gz WXRMJYIQQGQCDU-TZMCWYRMSA-N 1 2 291.395 2.418 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001132308459 812827673 /nfs/dbraw/zinc/82/76/73/812827673.db2.gz HWDLLHIXJUJSMW-NSHDSACASA-N 1 2 294.399 2.001 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001051217273 812886092 /nfs/dbraw/zinc/88/60/92/812886092.db2.gz TYVOOZBUXJYLGV-BZUAXINKSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001051217273 812886102 /nfs/dbraw/zinc/88/61/02/812886102.db2.gz TYVOOZBUXJYLGV-BZUAXINKSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132667606 812921183 /nfs/dbraw/zinc/92/11/83/812921183.db2.gz OPIGRNRPFUDXMW-GFCCVEGCSA-N 1 2 291.395 2.360 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132667607 812921709 /nfs/dbraw/zinc/92/17/09/812921709.db2.gz OPIGRNRPFUDXMW-LBPRGKRZSA-N 1 2 291.395 2.360 20 30 CEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)CC1 ZINC001133369237 813040918 /nfs/dbraw/zinc/04/09/18/813040918.db2.gz TZBAZCHUQJFLDC-UHFFFAOYSA-N 1 2 291.395 2.244 20 30 CEEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001134428401 813265454 /nfs/dbraw/zinc/26/54/54/813265454.db2.gz LMGGKFQFCWMMBB-LLVKDONJSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccn2)CC[C@@H]1C ZINC001071299116 813353695 /nfs/dbraw/zinc/35/36/95/813353695.db2.gz GFHPZMKIKQXXMM-QWHCGFSZSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccn2)CC[C@@H]1C ZINC001071299116 813353701 /nfs/dbraw/zinc/35/37/01/813353701.db2.gz GFHPZMKIKQXXMM-QWHCGFSZSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccn2)CC[C@H]1C ZINC001071299115 813354445 /nfs/dbraw/zinc/35/44/45/813354445.db2.gz GFHPZMKIKQXXMM-OLZOCXBDSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccn2)CC[C@H]1C ZINC001071299115 813354452 /nfs/dbraw/zinc/35/44/52/813354452.db2.gz GFHPZMKIKQXXMM-OLZOCXBDSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)CC[C@H]1C ZINC001071343330 813368928 /nfs/dbraw/zinc/36/89/28/813368928.db2.gz WVKSILBCJCCIRK-NEPJUHHUSA-N 1 2 281.787 2.350 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)CC[C@H]1C ZINC001071343330 813368935 /nfs/dbraw/zinc/36/89/35/813368935.db2.gz WVKSILBCJCCIRK-NEPJUHHUSA-N 1 2 281.787 2.350 20 30 CEEDLO N#CCCCOc1cccnc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001136553812 813716613 /nfs/dbraw/zinc/71/66/13/813716613.db2.gz QZHQHBHRDZUZTK-UHFFFAOYSA-N 1 2 299.334 2.059 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1ccnc(N(C)C)c1)C1CC1 ZINC000754074900 814115843 /nfs/dbraw/zinc/11/58/43/814115843.db2.gz LDFJWVLNRADXMC-GFCCVEGCSA-N 1 2 258.369 2.272 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1ccnc(N(C)C)c1)C1CC1 ZINC000754074900 814115848 /nfs/dbraw/zinc/11/58/48/814115848.db2.gz LDFJWVLNRADXMC-GFCCVEGCSA-N 1 2 258.369 2.272 20 30 CEEDLO CC[C@@H](CNC(=O)C#CC(C)(C)C)Nc1cc[nH+]c(C)n1 ZINC001103055289 814467506 /nfs/dbraw/zinc/46/75/06/814467506.db2.gz YKWXJOQSCXORCD-ZDUSSCGKSA-N 1 2 288.395 2.141 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104097650 814567511 /nfs/dbraw/zinc/56/75/11/814567511.db2.gz FPEFONXKGTYZPJ-GFCCVEGCSA-N 1 2 276.384 2.306 20 30 CEEDLO CC(C)c1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001171362229 814662389 /nfs/dbraw/zinc/66/23/89/814662389.db2.gz ADRVRUJZKMHBDQ-GWCFXTLKSA-N 1 2 292.383 2.371 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001115988711 814763506 /nfs/dbraw/zinc/76/35/06/814763506.db2.gz NMPZVSPKNSSFLI-ZDUSSCGKSA-N 1 2 262.357 2.232 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)OC ZINC001171404503 814888424 /nfs/dbraw/zinc/88/84/24/814888424.db2.gz KQOADFOTYRFRTI-DOMZBBRYSA-N 1 2 277.339 2.390 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173594211 815755913 /nfs/dbraw/zinc/75/59/13/815755913.db2.gz VMAJYMRGUUUZNW-ATWGWHJKSA-N 1 2 268.332 2.044 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173594211 815755916 /nfs/dbraw/zinc/75/59/16/815755916.db2.gz VMAJYMRGUUUZNW-ATWGWHJKSA-N 1 2 268.332 2.044 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC001138556239 815828625 /nfs/dbraw/zinc/82/86/25/815828625.db2.gz LLBWIUMWQVCZBB-ZDUSSCGKSA-N 1 2 257.333 2.110 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC001138556239 815828633 /nfs/dbraw/zinc/82/86/33/815828633.db2.gz LLBWIUMWQVCZBB-ZDUSSCGKSA-N 1 2 257.333 2.110 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccccc1N1CCC(O)CC1 ZINC001138761854 815890367 /nfs/dbraw/zinc/89/03/67/815890367.db2.gz BLTNIGZKRISBRT-UHFFFAOYSA-N 1 2 287.407 2.383 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccccc1N1CCC(O)CC1 ZINC001138761854 815890373 /nfs/dbraw/zinc/89/03/73/815890373.db2.gz BLTNIGZKRISBRT-UHFFFAOYSA-N 1 2 287.407 2.383 20 30 CEEDLO C#Cc1cc(Nc2cccc(-n3cccn3)c2)cc[nH+]1 ZINC001174300014 815951552 /nfs/dbraw/zinc/95/15/52/815951552.db2.gz YOXCYJSWPQPTFI-UHFFFAOYSA-N 1 2 260.300 2.414 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)cnc2N)C1 ZINC001139452082 816028536 /nfs/dbraw/zinc/02/85/36/816028536.db2.gz CJHVPOUBAPXPBD-JTQLQIEISA-N 1 2 294.196 2.272 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Br)cnc2N)C1 ZINC001139452082 816028543 /nfs/dbraw/zinc/02/85/43/816028543.db2.gz CJHVPOUBAPXPBD-JTQLQIEISA-N 1 2 294.196 2.272 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1F ZINC001139527112 816039535 /nfs/dbraw/zinc/03/95/35/816039535.db2.gz WWTMYZSFIJNKIF-YPMHNXCESA-N 1 2 282.265 2.163 20 30 CEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1F ZINC001139527112 816039539 /nfs/dbraw/zinc/03/95/39/816039539.db2.gz WWTMYZSFIJNKIF-YPMHNXCESA-N 1 2 282.265 2.163 20 30 CEEDLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cnc1C#N ZINC001174975547 816111747 /nfs/dbraw/zinc/11/17/47/816111747.db2.gz YRILYZSPQYVKBA-UHFFFAOYSA-N 1 2 295.346 2.237 20 30 CEEDLO C=CCn1cc(C[NH+]2CC3(C2)CC(F)(F)CS3)cn1 ZINC001139771120 816111795 /nfs/dbraw/zinc/11/17/95/816111795.db2.gz ORJKCSFKSBNGLP-UHFFFAOYSA-N 1 2 285.363 2.396 20 30 CEEDLO CN(C)c1ccc(Nc2cc(C#N)ccc2O)c[nH+]1 ZINC001175345238 816168338 /nfs/dbraw/zinc/16/83/38/816168338.db2.gz SMWIPUMYPFUXPZ-UHFFFAOYSA-N 1 2 254.293 2.468 20 30 CEEDLO COc1ccc2[nH]nc(C[NH+]3CCC(S)CC3)c2c1 ZINC001140069520 816186251 /nfs/dbraw/zinc/18/62/51/816186251.db2.gz XUSPBBVHSQCNNV-UHFFFAOYSA-N 1 2 277.393 2.466 20 30 CEEDLO CN(CCCNC(=O)c1cccc(C#N)c1)c1cccc[nH+]1 ZINC001175696791 816256568 /nfs/dbraw/zinc/25/65/68/816256568.db2.gz JHZCOVHGQXSDDN-UHFFFAOYSA-N 1 2 294.358 2.210 20 30 CEEDLO C#Cc1cc(Nc2cnc(N)cc2C(F)(F)F)cc[nH+]1 ZINC001175709420 816276457 /nfs/dbraw/zinc/27/64/57/816276457.db2.gz ALHMFBYGZSJYHF-UHFFFAOYSA-N 1 2 278.237 2.224 20 30 CEEDLO COC(=O)c1sc(Nc2[nH]cc[nH+]2)c(C#N)c1C ZINC001176078956 816334644 /nfs/dbraw/zinc/33/46/44/816334644.db2.gz AVRCRYZDGWZSIK-UHFFFAOYSA-N 1 2 262.294 2.182 20 30 CEEDLO COc1cc[nH+]cc1-n1cc(C#N)c2cc(N)ccc21 ZINC001176125003 816356143 /nfs/dbraw/zinc/35/61/43/816356143.db2.gz WGQNLAHHWMKZSO-UHFFFAOYSA-N 1 2 264.288 2.488 20 30 CEEDLO C#Cc1cc(Nc2cccc(C(=O)N(C)CC)c2)cc[nH+]1 ZINC001176462976 816421323 /nfs/dbraw/zinc/42/13/23/816421323.db2.gz PKPYTEWNUJYXHU-UHFFFAOYSA-N 1 2 279.343 2.320 20 30 CEEDLO Cc1cc(C#N)c(F)cc1NC(=O)CCn1cc[nH+]c1 ZINC001176878606 816488029 /nfs/dbraw/zinc/48/80/29/816488029.db2.gz ASOXSYUFUFFTEW-UHFFFAOYSA-N 1 2 272.283 2.231 20 30 CEEDLO O=C(NC1=CC(=O)CCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176970130 816501010 /nfs/dbraw/zinc/50/10/10/816501010.db2.gz KNXMGZSZFQGLEW-CYBMUJFWSA-N 1 2 299.374 2.051 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001177024073 816509969 /nfs/dbraw/zinc/50/99/69/816509969.db2.gz FCPNAZNWAACHJH-CVEARBPZSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001177024073 816509973 /nfs/dbraw/zinc/50/99/73/816509973.db2.gz FCPNAZNWAACHJH-CVEARBPZSA-N 1 2 292.423 2.221 20 30 CEEDLO N#CCCN1CC[NH+](Cc2cc3cccnc3cc2F)CC1 ZINC001141628626 816571522 /nfs/dbraw/zinc/57/15/22/816571522.db2.gz CLVNMTNXIUNDOT-UHFFFAOYSA-N 1 2 298.365 2.405 20 30 CEEDLO C[C@H](C(=O)Nc1cccc(CC#N)c1)n1cc[nH+]c1 ZINC001177927056 816649167 /nfs/dbraw/zinc/64/91/67/816649167.db2.gz SPSKBTYJSZBQAZ-LLVKDONJSA-N 1 2 254.293 2.149 20 30 CEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177993045 816662273 /nfs/dbraw/zinc/66/22/73/816662273.db2.gz GJGQRPVPQZOFLJ-UHFFFAOYSA-N 1 2 285.351 2.409 20 30 CEEDLO Cc1cc(C#N)c(NC(=O)[C@H]2CCc3[nH+]ccn3C2)s1 ZINC001178100684 816674485 /nfs/dbraw/zinc/67/44/85/816674485.db2.gz CDCSJBQUKWDADX-JTQLQIEISA-N 1 2 286.360 2.326 20 30 CEEDLO N#CCc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1F ZINC001178118262 816678311 /nfs/dbraw/zinc/67/83/11/816678311.db2.gz RNWXRPPJDXMVMR-LBPRGKRZSA-N 1 2 298.321 2.289 20 30 CEEDLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142929397 816758786 /nfs/dbraw/zinc/75/87/86/816758786.db2.gz DHPOMOQWWCGNOV-UHFFFAOYSA-N 1 2 271.320 2.034 20 30 CEEDLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142929397 816758789 /nfs/dbraw/zinc/75/87/89/816758789.db2.gz DHPOMOQWWCGNOV-UHFFFAOYSA-N 1 2 271.320 2.034 20 30 CEEDLO C=CCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178746776 816791765 /nfs/dbraw/zinc/79/17/65/816791765.db2.gz KCUFXJBUQKHUSY-LPEHRKFASA-N 1 2 282.281 2.042 20 30 CEEDLO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001178746776 816791772 /nfs/dbraw/zinc/79/17/72/816791772.db2.gz KCUFXJBUQKHUSY-LPEHRKFASA-N 1 2 282.281 2.042 20 30 CEEDLO CCO[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143176311 816800317 /nfs/dbraw/zinc/80/03/17/816800317.db2.gz ZRANCXDVWIEKFK-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO CCO[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143176311 816800324 /nfs/dbraw/zinc/80/03/24/816800324.db2.gz ZRANCXDVWIEKFK-LLVKDONJSA-N 1 2 266.291 2.447 20 30 CEEDLO N#CC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC2(CC2)C1 ZINC000601291451 346813807 /nfs/dbraw/zinc/81/38/07/346813807.db2.gz JWFZLAMKIBNTCS-UHFFFAOYSA-N 1 2 284.363 2.200 20 30 CEEDLO N#CC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC2(CC2)C1 ZINC000601291451 346813809 /nfs/dbraw/zinc/81/38/09/346813809.db2.gz JWFZLAMKIBNTCS-UHFFFAOYSA-N 1 2 284.363 2.200 20 30 CEEDLO N#CC1(CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000601545811 346848626 /nfs/dbraw/zinc/84/86/26/346848626.db2.gz WCUXJBAEVHPUNV-UHFFFAOYSA-N 1 2 266.304 2.110 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000601711334 346884947 /nfs/dbraw/zinc/88/49/47/346884947.db2.gz PDPVVLUWJXKGNB-LLVKDONJSA-N 1 2 284.294 2.095 20 30 CEEDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1CCCOC1 ZINC000329374472 539238288 /nfs/dbraw/zinc/23/82/88/539238288.db2.gz KJQVSZZDHIKVTR-QWRGUYRKSA-N 1 2 251.330 2.114 20 30 CEEDLO C[C@H]1C[NH+](Cc2nc(C#N)cs2)C[C@H](C)S1 ZINC000336621151 365730897 /nfs/dbraw/zinc/73/08/97/365730897.db2.gz BGROITJVEPPXFF-IUCAKERBSA-N 1 2 253.396 2.341 20 30 CEEDLO CC[C@@](C)(C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000127187149 365736259 /nfs/dbraw/zinc/73/62/59/365736259.db2.gz OYXOJMGEAGVMHV-INIZCTEOSA-N 1 2 282.347 2.353 20 30 CEEDLO CN1CCCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000601971928 346947141 /nfs/dbraw/zinc/94/71/41/346947141.db2.gz XNCSHPUMSKYPQW-OAHLLOKOSA-N 1 2 289.354 2.140 20 30 CEEDLO CN1CCCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000601971928 346947142 /nfs/dbraw/zinc/94/71/42/346947142.db2.gz XNCSHPUMSKYPQW-OAHLLOKOSA-N 1 2 289.354 2.140 20 30 CEEDLO C#CCN(CC)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056896208 343621980 /nfs/dbraw/zinc/62/19/80/343621980.db2.gz NEZDIENHXXVUIJ-UHFFFAOYSA-N 1 2 282.347 2.037 20 30 CEEDLO C#CCN(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056649559 343618939 /nfs/dbraw/zinc/61/89/39/343618939.db2.gz YWAJURSIVIJXCK-UHFFFAOYSA-N 1 2 296.374 2.096 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058090899 343641526 /nfs/dbraw/zinc/64/15/26/343641526.db2.gz CBNZRHVFKYLLFF-HNNXBMFYSA-N 1 2 285.391 2.499 20 30 CEEDLO C#CC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000273165152 192063573 /nfs/dbraw/zinc/06/35/73/192063573.db2.gz BSHYMHCMWZJNRW-VIFPVBQESA-N 1 2 273.258 2.335 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000273165152 192063574 /nfs/dbraw/zinc/06/35/74/192063574.db2.gz BSHYMHCMWZJNRW-VIFPVBQESA-N 1 2 273.258 2.335 20 30 CEEDLO C=CCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000059035424 343651767 /nfs/dbraw/zinc/65/17/67/343651767.db2.gz DPQNAVVIBYWUIX-UHFFFAOYSA-N 1 2 288.395 2.303 20 30 CEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000064632918 343692243 /nfs/dbraw/zinc/69/22/43/343692243.db2.gz HDDKNVGPWTXECX-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000064632918 343692245 /nfs/dbraw/zinc/69/22/45/343692245.db2.gz HDDKNVGPWTXECX-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000602100890 346973632 /nfs/dbraw/zinc/97/36/32/346973632.db2.gz DZZIKVIZAOCAMP-YFCNSXCBSA-N 1 2 272.352 2.102 20 30 CEEDLO C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000602100890 346973636 /nfs/dbraw/zinc/97/36/36/346973636.db2.gz DZZIKVIZAOCAMP-YFCNSXCBSA-N 1 2 272.352 2.102 20 30 CEEDLO C[C@@H](C#N)N(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CC1 ZINC000602177847 346989350 /nfs/dbraw/zinc/98/93/50/346989350.db2.gz DGOSYIALQKVYEG-NSHDSACASA-N 1 2 296.330 2.095 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCOc2ccccc2C1 ZINC000076547888 343892828 /nfs/dbraw/zinc/89/28/28/343892828.db2.gz QEIGWPVPLHKYLD-ZDUSSCGKSA-N 1 2 255.321 2.325 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCOc2ccccc2C1 ZINC000076547888 343892830 /nfs/dbraw/zinc/89/28/30/343892830.db2.gz QEIGWPVPLHKYLD-ZDUSSCGKSA-N 1 2 255.321 2.325 20 30 CEEDLO Cc1cccn2cc(CC(=O)N(CC#N)C3CCCC3)[nH+]c12 ZINC000078207702 343943438 /nfs/dbraw/zinc/94/34/38/343943438.db2.gz JRZNBBITMBLZAY-UHFFFAOYSA-N 1 2 296.374 2.480 20 30 CEEDLO N#Cc1cc(NC(=O)NCCNc2cccc[nH+]2)ccc1F ZINC000077500260 343922370 /nfs/dbraw/zinc/92/23/70/343922370.db2.gz PCZCVEUFNIXWTM-UHFFFAOYSA-N 1 2 299.309 2.326 20 30 CEEDLO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)sn1 ZINC000602433320 347030196 /nfs/dbraw/zinc/03/01/96/347030196.db2.gz LFZTWJSXWFZLDZ-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CCOC(=O)C1(C)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000092823552 344204652 /nfs/dbraw/zinc/20/46/52/344204652.db2.gz TVVDWUDNDQZZOK-CYBMUJFWSA-N 1 2 277.368 2.095 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)n1 ZINC000602453402 347039456 /nfs/dbraw/zinc/03/94/56/347039456.db2.gz LRNRUDCCAKGXRW-LBPRGKRZSA-N 1 2 267.336 2.056 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)n1 ZINC000602453402 347039461 /nfs/dbraw/zinc/03/94/61/347039461.db2.gz LRNRUDCCAKGXRW-LBPRGKRZSA-N 1 2 267.336 2.056 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000120563255 344298612 /nfs/dbraw/zinc/29/86/12/344298612.db2.gz BBQHRZNQJGQJIL-LBPRGKRZSA-N 1 2 279.409 2.188 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000120563255 344298616 /nfs/dbraw/zinc/29/86/16/344298616.db2.gz BBQHRZNQJGQJIL-LBPRGKRZSA-N 1 2 279.409 2.188 20 30 CEEDLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)C(C)(C)C ZINC000119173491 344293786 /nfs/dbraw/zinc/29/37/86/344293786.db2.gz LZBYPNZSWOQXOI-CQSZACIVSA-N 1 2 290.363 2.114 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000134911450 344378489 /nfs/dbraw/zinc/37/84/89/344378489.db2.gz LNAYUFUJNJAFHO-KRWDZBQOSA-N 1 2 287.407 2.328 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000157237740 344446149 /nfs/dbraw/zinc/44/61/49/344446149.db2.gz JBJOZCVJMVBYHM-GFCCVEGCSA-N 1 2 264.369 2.486 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000157237740 344446152 /nfs/dbraw/zinc/44/61/52/344446152.db2.gz JBJOZCVJMVBYHM-GFCCVEGCSA-N 1 2 264.369 2.486 20 30 CEEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000166310445 344476021 /nfs/dbraw/zinc/47/60/21/344476021.db2.gz CQRSKTOCPHDOJB-UHFFFAOYSA-N 1 2 295.342 2.109 20 30 CEEDLO C#CC[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000052073052 362463648 /nfs/dbraw/zinc/46/36/48/362463648.db2.gz MUWBJUVNQDFQBS-UHFFFAOYSA-N 1 2 277.437 2.191 20 30 CEEDLO COc1ccnc(C[N@@H+]2CCC[C@H](CC#N)C2)c1OC ZINC000397712420 344852080 /nfs/dbraw/zinc/85/20/80/344852080.db2.gz VCYNXWHRUVXACP-GFCCVEGCSA-N 1 2 275.352 2.224 20 30 CEEDLO COc1ccnc(C[N@H+]2CCC[C@H](CC#N)C2)c1OC ZINC000397712420 344852081 /nfs/dbraw/zinc/85/20/81/344852081.db2.gz VCYNXWHRUVXACP-GFCCVEGCSA-N 1 2 275.352 2.224 20 30 CEEDLO C[C@@](C#N)(NC(=O)CCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000584694894 344976973 /nfs/dbraw/zinc/97/69/73/344976973.db2.gz LRMJAPNATHBFNA-HNNXBMFYSA-N 1 2 274.368 2.321 20 30 CEEDLO C[C@@](C#N)(NC(=O)CCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000584694894 344976975 /nfs/dbraw/zinc/97/69/75/344976975.db2.gz LRMJAPNATHBFNA-HNNXBMFYSA-N 1 2 274.368 2.321 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCCCCC#N)C1 ZINC000588162475 345040861 /nfs/dbraw/zinc/04/08/61/345040861.db2.gz RLYZESMAYQJXRJ-CYBMUJFWSA-N 1 2 274.368 2.210 20 30 CEEDLO Cc1ncccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000589257817 345073599 /nfs/dbraw/zinc/07/35/99/345073599.db2.gz WAWRQDPFIORVPC-MRXNPFEDSA-N 1 2 272.396 2.056 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](O)[C@H]2C)c1C#N ZINC000590762400 345176380 /nfs/dbraw/zinc/17/63/80/345176380.db2.gz XWSYYTKFXQOGNO-CXAGYDPISA-N 1 2 296.374 2.008 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1C#N ZINC000590762400 345176382 /nfs/dbraw/zinc/17/63/82/345176382.db2.gz XWSYYTKFXQOGNO-CXAGYDPISA-N 1 2 296.374 2.008 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000590800182 345182554 /nfs/dbraw/zinc/18/25/54/345182554.db2.gz RJWMSKZGGRZRDT-JHJVBQTASA-N 1 2 271.364 2.244 20 30 CEEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1)C(=O)OC ZINC000591377868 345247048 /nfs/dbraw/zinc/24/70/48/345247048.db2.gz RTJHXBKFKZJMHA-QEJZJMRPSA-N 1 2 275.348 2.116 20 30 CEEDLO COC[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590952982 345203950 /nfs/dbraw/zinc/20/39/50/345203950.db2.gz NLUITEMEIQAELL-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO COC[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590952982 345203954 /nfs/dbraw/zinc/20/39/54/345203954.db2.gz NLUITEMEIQAELL-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO C=C[C@H]([NH2+][C@H](C)CCCc1cccnc1)C(=O)OC ZINC000590969950 345207855 /nfs/dbraw/zinc/20/78/55/345207855.db2.gz QSXMXXFMKYZCAO-OCCSQVGLSA-N 1 2 262.353 2.110 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000592522364 345365500 /nfs/dbraw/zinc/36/55/00/345365500.db2.gz MOBVAVKJMYSQCJ-AWEZNQCLSA-N 1 2 291.351 2.286 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000592522364 345365501 /nfs/dbraw/zinc/36/55/01/345365501.db2.gz MOBVAVKJMYSQCJ-AWEZNQCLSA-N 1 2 291.351 2.286 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000592122893 345326041 /nfs/dbraw/zinc/32/60/41/345326041.db2.gz SAKXSQLTSRURIE-HZPDHXFCSA-N 1 2 283.375 2.487 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000592122893 345326045 /nfs/dbraw/zinc/32/60/45/345326045.db2.gz SAKXSQLTSRURIE-HZPDHXFCSA-N 1 2 283.375 2.487 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593070035 345433208 /nfs/dbraw/zinc/43/32/08/345433208.db2.gz NARXUGMDOROZAO-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593070035 345433210 /nfs/dbraw/zinc/43/32/10/345433210.db2.gz NARXUGMDOROZAO-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000593155026 345447953 /nfs/dbraw/zinc/44/79/53/345447953.db2.gz YXLAMNCKTPYMDH-AWEZNQCLSA-N 1 2 279.409 2.445 20 30 CEEDLO Cc1cc(N2CCC([C@@H](C)CO)CC2)c(C#N)c[nH+]1 ZINC000593504386 345500052 /nfs/dbraw/zinc/50/00/52/345500052.db2.gz GJLOVCFIKDLOBB-NSHDSACASA-N 1 2 259.353 2.107 20 30 CEEDLO CC[C@@H](C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000593395173 345476120 /nfs/dbraw/zinc/47/61/20/345476120.db2.gz YLRCYHGGBVOLQV-ZDUSSCGKSA-N 1 2 282.347 2.097 20 30 CEEDLO CC[C@@H](C#N)C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000593837408 345544743 /nfs/dbraw/zinc/54/47/43/345544743.db2.gz JUFMFRJWXWVFAM-LSDHHAIUSA-N 1 2 296.374 2.370 20 30 CEEDLO C[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000593973722 345558924 /nfs/dbraw/zinc/55/89/24/345558924.db2.gz VJDHXZSAHZTJGE-NSHDSACASA-N 1 2 284.367 2.151 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000594008979 345565589 /nfs/dbraw/zinc/56/55/89/345565589.db2.gz SCLJZFNHGPZJSN-GFCCVEGCSA-N 1 2 289.383 2.219 20 30 CEEDLO N#Cc1ccc2c(c1)CN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000594603576 345658132 /nfs/dbraw/zinc/65/81/32/345658132.db2.gz KLTWDBYWWFUGOZ-UHFFFAOYSA-N 1 2 277.331 2.443 20 30 CEEDLO N#Cc1ccc2c(c1)CN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000594603576 345658134 /nfs/dbraw/zinc/65/81/34/345658134.db2.gz KLTWDBYWWFUGOZ-UHFFFAOYSA-N 1 2 277.331 2.443 20 30 CEEDLO COc1cc(C[NH+]2CC3(CC3(F)F)C2)ccc1C#N ZINC000594609172 345660267 /nfs/dbraw/zinc/66/02/67/345660267.db2.gz RJKAQJHBWSGAPS-UHFFFAOYSA-N 1 2 264.275 2.408 20 30 CEEDLO N#CCCCCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000594538908 345644933 /nfs/dbraw/zinc/64/49/33/345644933.db2.gz LDMPRZYFXOGBJQ-CHWSQXEVSA-N 1 2 290.367 2.232 20 30 CEEDLO N#CCCCCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000594538908 345644935 /nfs/dbraw/zinc/64/49/35/345644935.db2.gz LDMPRZYFXOGBJQ-CHWSQXEVSA-N 1 2 290.367 2.232 20 30 CEEDLO Cc1nsc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000594592751 345654379 /nfs/dbraw/zinc/65/43/79/345654379.db2.gz VPMQGWPDDAWEKB-GARJFASQSA-N 1 2 294.424 2.233 20 30 CEEDLO Cc1nsc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000594592751 345654383 /nfs/dbraw/zinc/65/43/83/345654383.db2.gz VPMQGWPDDAWEKB-GARJFASQSA-N 1 2 294.424 2.233 20 30 CEEDLO Cc1nc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)co1 ZINC000595472528 345790928 /nfs/dbraw/zinc/79/09/28/345790928.db2.gz MMBAQZAZQBFVLF-UHFFFAOYSA-N 1 2 282.347 2.435 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595481491 345793055 /nfs/dbraw/zinc/79/30/55/345793055.db2.gz OJMIAWIBAULQCT-JTQLQIEISA-N 1 2 251.286 2.432 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595481491 345793057 /nfs/dbraw/zinc/79/30/57/345793057.db2.gz OJMIAWIBAULQCT-JTQLQIEISA-N 1 2 251.286 2.432 20 30 CEEDLO C=CCCSCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595724321 345860221 /nfs/dbraw/zinc/86/02/21/345860221.db2.gz XWBIWDSCQOJAAC-LLVKDONJSA-N 1 2 282.413 2.090 20 30 CEEDLO C[C@H](NC(=O)NCC(C)(C)CCC#N)c1[nH+]ccn1C ZINC000595628702 345832652 /nfs/dbraw/zinc/83/26/52/345832652.db2.gz SHOMCPCJBNWQEP-NSHDSACASA-N 1 2 277.372 2.110 20 30 CEEDLO C=CC[N@H+](Cc1ccoc1C(=O)OC)[C@H](C)COC ZINC000595646480 345837007 /nfs/dbraw/zinc/83/70/07/345837007.db2.gz KUFNGEXXIXGSQO-LLVKDONJSA-N 1 2 267.325 2.089 20 30 CEEDLO C=CC[N@@H+](Cc1ccoc1C(=O)OC)[C@H](C)COC ZINC000595646480 345837010 /nfs/dbraw/zinc/83/70/10/345837010.db2.gz KUFNGEXXIXGSQO-LLVKDONJSA-N 1 2 267.325 2.089 20 30 CEEDLO Cc1cc(CNC(=O)N2CC[C@](C)(C#N)C2)cc(C)[nH+]1 ZINC000595654379 345839491 /nfs/dbraw/zinc/83/94/91/345839491.db2.gz XIUGUJAWUMVRCU-OAHLLOKOSA-N 1 2 272.352 2.144 20 30 CEEDLO C[C@H](NC(=O)NCC1(C#N)CCCCC1)c1[nH+]ccn1C ZINC000595845978 345897216 /nfs/dbraw/zinc/89/72/16/345897216.db2.gz YPXWEMJHRUWXCZ-LBPRGKRZSA-N 1 2 289.383 2.254 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000595833638 345890418 /nfs/dbraw/zinc/89/04/18/345890418.db2.gz IATRTPRGFFEXPK-IUODEOHRSA-N 1 2 258.321 2.062 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000595833638 345890422 /nfs/dbraw/zinc/89/04/22/345890422.db2.gz IATRTPRGFFEXPK-IUODEOHRSA-N 1 2 258.321 2.062 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)C1CC1 ZINC000595838596 345893925 /nfs/dbraw/zinc/89/39/25/345893925.db2.gz WTJNSRHTCPHREW-WBMJQRKESA-N 1 2 275.396 2.011 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)C1CC1 ZINC000595838596 345893930 /nfs/dbraw/zinc/89/39/30/345893930.db2.gz WTJNSRHTCPHREW-WBMJQRKESA-N 1 2 275.396 2.011 20 30 CEEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(C)(C)C#N)CCOCC1 ZINC000595896737 345909278 /nfs/dbraw/zinc/90/92/78/345909278.db2.gz JAFWHLCVBIIYAB-UHFFFAOYSA-N 1 2 296.411 2.407 20 30 CEEDLO CCc1nc(C#N)cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000596158356 345955112 /nfs/dbraw/zinc/95/51/12/345955112.db2.gz VXACNKUOOJJTOK-TZMCWYRMSA-N 1 2 296.378 2.195 20 30 CEEDLO N#CC[C@@H]1CCCN(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000596092199 345938115 /nfs/dbraw/zinc/93/81/15/345938115.db2.gz CEQRBUOKVIISCO-ZDUSSCGKSA-N 1 2 297.362 2.170 20 30 CEEDLO Cc1cc(N[C@@H]2CCc3ccc(O)cc32)c(C#N)c[nH+]1 ZINC000596487332 346036295 /nfs/dbraw/zinc/03/62/95/346036295.db2.gz GQUKKHDXQVPDAZ-OAHLLOKOSA-N 1 2 265.316 2.489 20 30 CEEDLO Cc1cccn2c(NC(=O)NCC(C)(C)C#N)c[nH+]c12 ZINC000597080256 346124789 /nfs/dbraw/zinc/12/47/89/346124789.db2.gz FDPBTKGXCXEDCB-UHFFFAOYSA-N 1 2 271.324 2.314 20 30 CEEDLO CCN(CCC#N)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000597078400 346124844 /nfs/dbraw/zinc/12/48/44/346124844.db2.gz CWVHINIBFOCNBP-UHFFFAOYSA-N 1 2 271.324 2.410 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000597128920 346131817 /nfs/dbraw/zinc/13/18/17/346131817.db2.gz KKZUIJAHURISGA-NSHDSACASA-N 1 2 271.324 2.457 20 30 CEEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000597228180 346155069 /nfs/dbraw/zinc/15/50/69/346155069.db2.gz AUDWBJCJGPOUKY-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000597228180 346155071 /nfs/dbraw/zinc/15/50/71/346155071.db2.gz AUDWBJCJGPOUKY-OAHLLOKOSA-N 1 2 260.337 2.439 20 30 CEEDLO C=CCCSCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000597972165 346260665 /nfs/dbraw/zinc/26/06/65/346260665.db2.gz KHDISDOQTIGLLB-UHFFFAOYSA-N 1 2 275.377 2.373 20 30 CEEDLO N#CC1(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000598315610 346325096 /nfs/dbraw/zinc/32/50/96/346325096.db2.gz SDLDETDFDCIPTJ-GFCCVEGCSA-N 1 2 286.379 2.105 20 30 CEEDLO N#CC1(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000598315610 346325098 /nfs/dbraw/zinc/32/50/98/346325098.db2.gz SDLDETDFDCIPTJ-GFCCVEGCSA-N 1 2 286.379 2.105 20 30 CEEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000599160449 346469948 /nfs/dbraw/zinc/46/99/48/346469948.db2.gz JPDBPCALLUIPSV-LBPRGKRZSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000599160449 346469951 /nfs/dbraw/zinc/46/99/51/346469951.db2.gz JPDBPCALLUIPSV-LBPRGKRZSA-N 1 2 299.296 2.320 20 30 CEEDLO Cc1cc(N2CCc3c(CC#N)cccc3C2)nc[nH+]1 ZINC000599195188 346477583 /nfs/dbraw/zinc/47/75/83/346477583.db2.gz QPPIOKVSBDTHGL-UHFFFAOYSA-N 1 2 264.332 2.414 20 30 CEEDLO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000602607158 347098073 /nfs/dbraw/zinc/09/80/73/347098073.db2.gz HDUNYUPZVYRGTL-SWLSCSKDSA-N 1 2 289.354 2.238 20 30 CEEDLO C[C@@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000602607158 347098077 /nfs/dbraw/zinc/09/80/77/347098077.db2.gz HDUNYUPZVYRGTL-SWLSCSKDSA-N 1 2 289.354 2.238 20 30 CEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CCC(C)(C)C#N ZINC000599445105 346521665 /nfs/dbraw/zinc/52/16/65/346521665.db2.gz KIKMOPJAEQZBMO-OAHLLOKOSA-N 1 2 298.394 2.031 20 30 CEEDLO CC(C)n1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)nn1 ZINC000599677711 346562326 /nfs/dbraw/zinc/56/23/26/346562326.db2.gz KCWGBIWYYISIRM-UHFFFAOYSA-N 1 2 295.390 2.483 20 30 CEEDLO CC(C)n1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)nn1 ZINC000599677711 346562328 /nfs/dbraw/zinc/56/23/28/346562328.db2.gz KCWGBIWYYISIRM-UHFFFAOYSA-N 1 2 295.390 2.483 20 30 CEEDLO N#CCN(CC[NH+]1CCOCC1)c1ccccc1Cl ZINC000599612514 346546363 /nfs/dbraw/zinc/54/63/63/346546363.db2.gz HRYXOZYVYUCFBA-UHFFFAOYSA-N 1 2 279.771 2.002 20 30 CEEDLO Cc1c[nH]c(CN(CCC#N)Cc2cccnc2)[nH+]1 ZINC000600106859 346598113 /nfs/dbraw/zinc/59/81/13/346598113.db2.gz MIUORFVIKZSUTN-UHFFFAOYSA-N 1 2 255.325 2.029 20 30 CEEDLO Cc1c[nH]c(CN(CCC#N)Cc2ccccn2)[nH+]1 ZINC000600117692 346600852 /nfs/dbraw/zinc/60/08/52/346600852.db2.gz MUTMFNMPCXCFGH-UHFFFAOYSA-N 1 2 255.325 2.029 20 30 CEEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CC(CC#N)C1 ZINC000600180143 346616605 /nfs/dbraw/zinc/61/66/05/346616605.db2.gz GPJMQMZPJKYUAQ-UHFFFAOYSA-N 1 2 265.307 2.376 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601026033 346735144 /nfs/dbraw/zinc/73/51/44/346735144.db2.gz KGMYSLCNXQTZPJ-MRXNPFEDSA-N 1 2 282.347 2.223 20 30 CEEDLO CC(C)C[C@H](C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601032244 346736121 /nfs/dbraw/zinc/73/61/21/346736121.db2.gz WEPPZPQHSJFYTM-OAHLLOKOSA-N 1 2 296.374 2.469 20 30 CEEDLO C[C@@H](CCC#N)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000602616144 347105048 /nfs/dbraw/zinc/10/50/48/347105048.db2.gz HMRZHNUEJZMCAS-AWEZNQCLSA-N 1 2 271.364 2.275 20 30 CEEDLO C[C@@H](CCC#N)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000602616144 347105053 /nfs/dbraw/zinc/10/50/53/347105053.db2.gz HMRZHNUEJZMCAS-AWEZNQCLSA-N 1 2 271.364 2.275 20 30 CEEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602628585 347111179 /nfs/dbraw/zinc/11/11/79/347111179.db2.gz HICPGZFNBMIGRB-GOEBONIOSA-N 1 2 273.355 2.450 20 30 CEEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602628585 347111182 /nfs/dbraw/zinc/11/11/82/347111182.db2.gz HICPGZFNBMIGRB-GOEBONIOSA-N 1 2 273.355 2.450 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H](CC)[C@@H]1CC1(C)C)C(=O)OC ZINC000602641824 347119224 /nfs/dbraw/zinc/11/92/24/347119224.db2.gz FKGYPNAUAORQNQ-XQQFMLRXSA-N 1 2 269.385 2.145 20 30 CEEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602642137 347119240 /nfs/dbraw/zinc/11/92/40/347119240.db2.gz HNFDRCVZGXNAIG-QWRGUYRKSA-N 1 2 278.356 2.128 20 30 CEEDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cccc(C#N)n1)C2 ZINC000602655740 347125909 /nfs/dbraw/zinc/12/59/09/347125909.db2.gz VAWAFSPOUQXJEF-UHFFFAOYSA-N 1 2 295.342 2.356 20 30 CEEDLO COc1ccc2c(c1)OCC[N@H+](Cc1cccc(C#N)n1)C2 ZINC000602655740 347125910 /nfs/dbraw/zinc/12/59/10/347125910.db2.gz VAWAFSPOUQXJEF-UHFFFAOYSA-N 1 2 295.342 2.356 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000602804918 347206800 /nfs/dbraw/zinc/20/68/00/347206800.db2.gz INUCARBEMBXMEP-UHFFFAOYSA-N 1 2 260.341 2.463 20 30 CEEDLO CCOC(=O)C[N@H+](CCOc1ccccc1C#N)C(C)C ZINC000064246908 362782649 /nfs/dbraw/zinc/78/26/49/362782649.db2.gz HEAMOZQMXUOGLS-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO CCOC(=O)C[N@@H+](CCOc1ccccc1C#N)C(C)C ZINC000064246908 362782652 /nfs/dbraw/zinc/78/26/52/362782652.db2.gz HEAMOZQMXUOGLS-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO C=C(C)C[C@H](NCc1c[nH+]c2c(C)cccn12)C(=O)OC ZINC000602735458 347178536 /nfs/dbraw/zinc/17/85/36/347178536.db2.gz XQBZWEYPNQDLSV-AWEZNQCLSA-N 1 2 287.363 2.240 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@H](C)SC1)C(=O)OC ZINC000602738569 347180035 /nfs/dbraw/zinc/18/00/35/347180035.db2.gz MQBQQOJQXDMCMR-SRVKXCTJSA-N 1 2 257.399 2.368 20 30 CEEDLO COc1ccccc1/C=C\C[NH+]1CCN(CCC#N)CC1 ZINC000602747873 347183660 /nfs/dbraw/zinc/18/36/60/347183660.db2.gz HMMZFZJFBGNNGY-DAXSKMNVSA-N 1 2 285.391 2.240 20 30 CEEDLO N#CCC1(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000602762107 347187920 /nfs/dbraw/zinc/18/79/20/347187920.db2.gz HNFLWJGJWQVPQW-UHFFFAOYSA-N 1 2 297.402 2.067 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@H](C)N1CC#N ZINC000602851431 347224556 /nfs/dbraw/zinc/22/45/56/347224556.db2.gz WBQPWKVXXMJIAS-TXEJJXNPSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cn2)C[C@H](C)N1CC#N ZINC000602851431 347224558 /nfs/dbraw/zinc/22/45/58/347224558.db2.gz WBQPWKVXXMJIAS-TXEJJXNPSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000602859660 347227359 /nfs/dbraw/zinc/22/73/59/347227359.db2.gz AAVLMTLELQUVSQ-CHWSQXEVSA-N 1 2 298.390 2.107 20 30 CEEDLO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602859682 347228228 /nfs/dbraw/zinc/22/82/28/347228228.db2.gz ABCQCSDSBSFTHD-RYUDHWBXSA-N 1 2 259.353 2.468 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602863586 347229753 /nfs/dbraw/zinc/22/97/53/347229753.db2.gz ONIZICKHVRZWAO-XALLYKQOSA-N 1 2 289.423 2.352 20 30 CEEDLO COc1cc(C[NH2+][C@@H](C)CC#N)c(Br)cn1 ZINC000602869085 347231966 /nfs/dbraw/zinc/23/19/66/347231966.db2.gz GCGVQFKRARWUBN-QMMMGPOBSA-N 1 2 284.157 2.244 20 30 CEEDLO CC(C)[C@H](CNC(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602870408 347232771 /nfs/dbraw/zinc/23/27/71/347232771.db2.gz SYFLIFRIIGIKLY-HOCLYGCPSA-N 1 2 287.407 2.434 20 30 CEEDLO C=CC[N@@H+](Cc1cnc(C(=O)OCC)s1)[C@@H](C)COC ZINC000602878632 347236236 /nfs/dbraw/zinc/23/62/36/347236236.db2.gz CLLKDIBGTBICBD-NSHDSACASA-N 1 2 298.408 2.343 20 30 CEEDLO C=CC[N@H+](Cc1cnc(C(=O)OCC)s1)[C@@H](C)COC ZINC000602878632 347236238 /nfs/dbraw/zinc/23/62/38/347236238.db2.gz CLLKDIBGTBICBD-NSHDSACASA-N 1 2 298.408 2.343 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccn1 ZINC000603130532 347293419 /nfs/dbraw/zinc/29/34/19/347293419.db2.gz QUYYBDULCFKAMZ-UHFFFAOYSA-N 1 2 296.334 2.088 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974269 347260160 /nfs/dbraw/zinc/26/01/60/347260160.db2.gz LSLOBWCXHWBNDW-KBPBESRZSA-N 1 2 263.385 2.035 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974269 347260162 /nfs/dbraw/zinc/26/01/62/347260162.db2.gz LSLOBWCXHWBNDW-KBPBESRZSA-N 1 2 263.385 2.035 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973640 347260589 /nfs/dbraw/zinc/26/05/89/347260589.db2.gz CQMMIXYIPLQIRU-IRXDYDNUSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973640 347260590 /nfs/dbraw/zinc/26/05/90/347260590.db2.gz CQMMIXYIPLQIRU-IRXDYDNUSA-N 1 2 299.418 2.278 20 30 CEEDLO C[N@H+](CC(=O)NC1CCCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602974929 347261009 /nfs/dbraw/zinc/26/10/09/347261009.db2.gz VYNJMMDTJFMEEJ-DZGCQCFKSA-N 1 2 277.412 2.449 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602974929 347261011 /nfs/dbraw/zinc/26/10/11/347261011.db2.gz VYNJMMDTJFMEEJ-DZGCQCFKSA-N 1 2 277.412 2.449 20 30 CEEDLO CC[C@@]1(O)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000602983547 347265896 /nfs/dbraw/zinc/26/58/96/347265896.db2.gz MWBDIRXPBCBKCD-OAHLLOKOSA-N 1 2 289.335 2.203 20 30 CEEDLO CC[C@@]1(O)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000602983547 347265897 /nfs/dbraw/zinc/26/58/97/347265897.db2.gz MWBDIRXPBCBKCD-OAHLLOKOSA-N 1 2 289.335 2.203 20 30 CEEDLO C=CCCS(=O)(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000129806394 365896989 /nfs/dbraw/zinc/89/69/89/365896989.db2.gz LTQSCTUDLJVQOB-UHFFFAOYSA-N 1 2 296.436 2.399 20 30 CEEDLO C=CCCS(=O)(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000129806394 365896992 /nfs/dbraw/zinc/89/69/92/365896992.db2.gz LTQSCTUDLJVQOB-UHFFFAOYSA-N 1 2 296.436 2.399 20 30 CEEDLO C[N@H+](CCC(C)(C)C#N)Cc1nnc2ccccn21 ZINC000611462678 347781542 /nfs/dbraw/zinc/78/15/42/347781542.db2.gz ONWDTMZEVAEDRI-UHFFFAOYSA-N 1 2 257.341 2.101 20 30 CEEDLO C[N@@H+](CCC(C)(C)C#N)Cc1nnc2ccccn21 ZINC000611462678 347781545 /nfs/dbraw/zinc/78/15/45/347781545.db2.gz ONWDTMZEVAEDRI-UHFFFAOYSA-N 1 2 257.341 2.101 20 30 CEEDLO Cc1nnc(C[N@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000611347130 347769431 /nfs/dbraw/zinc/76/94/31/347769431.db2.gz JOCMMMYZLNRQRV-UHFFFAOYSA-N 1 2 288.376 2.229 20 30 CEEDLO Cc1nnc(C[N@@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000611347130 347769435 /nfs/dbraw/zinc/76/94/35/347769435.db2.gz JOCMMMYZLNRQRV-UHFFFAOYSA-N 1 2 288.376 2.229 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000129992096 365915381 /nfs/dbraw/zinc/91/53/81/365915381.db2.gz UXUFXYDZMHEWSY-LLVKDONJSA-N 1 2 278.327 2.469 20 30 CEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000129992096 365915383 /nfs/dbraw/zinc/91/53/83/365915383.db2.gz UXUFXYDZMHEWSY-LLVKDONJSA-N 1 2 278.327 2.469 20 30 CEEDLO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)C(C)(C)CO1 ZINC000610993426 347729303 /nfs/dbraw/zinc/72/93/03/347729303.db2.gz RECAJIDVNRORJN-UHFFFAOYSA-N 1 2 259.353 2.343 20 30 CEEDLO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)C(C)(C)CO1 ZINC000610993426 347729306 /nfs/dbraw/zinc/72/93/06/347729306.db2.gz RECAJIDVNRORJN-UHFFFAOYSA-N 1 2 259.353 2.343 20 30 CEEDLO Cc1ccncc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431814 347779472 /nfs/dbraw/zinc/77/94/72/347779472.db2.gz BSEKURAWCXOGST-MRXNPFEDSA-N 1 2 272.396 2.056 20 30 CEEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000611012961 347732802 /nfs/dbraw/zinc/73/28/02/347732802.db2.gz PYHKQCJREBCMBA-WFASDCNBSA-N 1 2 294.358 2.195 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163504 347851896 /nfs/dbraw/zinc/85/18/96/347851896.db2.gz RIOXHPDXXQZLTM-HIFRSBDPSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163504 347851900 /nfs/dbraw/zinc/85/19/00/347851900.db2.gz RIOXHPDXXQZLTM-HIFRSBDPSA-N 1 2 263.385 2.013 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164396 347851935 /nfs/dbraw/zinc/85/19/35/347851935.db2.gz BMVWIKNIGWIBKZ-SWLSCSKDSA-N 1 2 265.401 2.305 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164396 347851936 /nfs/dbraw/zinc/85/19/36/347851936.db2.gz BMVWIKNIGWIBKZ-SWLSCSKDSA-N 1 2 265.401 2.305 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000612163884 347852430 /nfs/dbraw/zinc/85/24/30/347852430.db2.gz VRWFDXQBAISWNE-SNVBAGLBSA-N 1 2 250.264 2.191 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000612163884 347852432 /nfs/dbraw/zinc/85/24/32/347852432.db2.gz VRWFDXQBAISWNE-SNVBAGLBSA-N 1 2 250.264 2.191 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOCC1(C)C ZINC000130420348 365954140 /nfs/dbraw/zinc/95/41/40/365954140.db2.gz QBHOLJLCWNRCNL-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCOCC1(C)C ZINC000130420348 365954145 /nfs/dbraw/zinc/95/41/45/365954145.db2.gz QBHOLJLCWNRCNL-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613276101 348015473 /nfs/dbraw/zinc/01/54/73/348015473.db2.gz YYWNTCLQZUTMBY-NEPJUHHUSA-N 1 2 261.369 2.376 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613276101 348015474 /nfs/dbraw/zinc/01/54/74/348015474.db2.gz YYWNTCLQZUTMBY-NEPJUHHUSA-N 1 2 261.369 2.376 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000613458440 348051982 /nfs/dbraw/zinc/05/19/82/348051982.db2.gz ZVAAWDGZXWLDQU-ZWNOBZJWSA-N 1 2 259.284 2.292 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCCCO)c1C#N ZINC000615973608 348422277 /nfs/dbraw/zinc/42/22/77/348422277.db2.gz GCEKHSIFDAOFIQ-UHFFFAOYSA-N 1 2 298.390 2.257 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCCCO)c1C#N ZINC000615973608 348422278 /nfs/dbraw/zinc/42/22/78/348422278.db2.gz GCEKHSIFDAOFIQ-UHFFFAOYSA-N 1 2 298.390 2.257 20 30 CEEDLO C#CC[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273441195 192151527 /nfs/dbraw/zinc/15/15/27/192151527.db2.gz ZPAQPJSGWHOPSS-JTQLQIEISA-N 1 2 257.293 2.029 20 30 CEEDLO C#CC[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000273441196 192151586 /nfs/dbraw/zinc/15/15/86/192151586.db2.gz ZPAQPJSGWHOPSS-SNVBAGLBSA-N 1 2 257.293 2.029 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000617041717 348620958 /nfs/dbraw/zinc/62/09/58/348620958.db2.gz HTVJOVIQAKDANW-OCCSQVGLSA-N 1 2 261.369 2.214 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000617781192 348790148 /nfs/dbraw/zinc/79/01/48/348790148.db2.gz HTCCCJXPPHIZNN-UONOGXRCSA-N 1 2 273.380 2.260 20 30 CEEDLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618609117 348996738 /nfs/dbraw/zinc/99/67/38/348996738.db2.gz NYYZYAYQIOMPCY-XQQFMLRXSA-N 1 2 252.358 2.246 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC000618789324 349042137 /nfs/dbraw/zinc/04/21/37/349042137.db2.gz HJQIJPPHCPCLRT-INIZCTEOSA-N 1 2 294.358 2.339 20 30 CEEDLO C=C[C@H]([NH2+]CCc1c[nH]c2ccccc12)C(=O)OC ZINC000619699738 349220553 /nfs/dbraw/zinc/22/05/53/349220553.db2.gz MWACVXMGEVRMHN-ZDUSSCGKSA-N 1 2 258.321 2.028 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000619701346 349222150 /nfs/dbraw/zinc/22/21/50/349222150.db2.gz GKISWGSFZBDVPN-IUODEOHRSA-N 1 2 259.349 2.109 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000619717194 349227034 /nfs/dbraw/zinc/22/70/34/349227034.db2.gz IOPVPMZWLMPWFM-OAHLLOKOSA-N 1 2 276.380 2.469 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000619717332 349227317 /nfs/dbraw/zinc/22/73/17/349227317.db2.gz AJSGIWSFJGUAQM-OAHLLOKOSA-N 1 2 275.348 2.171 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000619717332 349227320 /nfs/dbraw/zinc/22/73/20/349227320.db2.gz AJSGIWSFJGUAQM-OAHLLOKOSA-N 1 2 275.348 2.171 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(F)cc1C ZINC000619721966 349228813 /nfs/dbraw/zinc/22/88/13/349228813.db2.gz HQIZGSJNRWVNNL-ZDUSSCGKSA-N 1 2 251.301 2.294 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(F)cc1C ZINC000619721966 349228816 /nfs/dbraw/zinc/22/88/16/349228816.db2.gz HQIZGSJNRWVNNL-ZDUSSCGKSA-N 1 2 251.301 2.294 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC(=O)N1C ZINC000619723859 349229846 /nfs/dbraw/zinc/22/98/46/349229846.db2.gz SQXAHSFBKPSTJD-CYBMUJFWSA-N 1 2 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/nfs/dbraw/zinc/80/76/47/367807647.db2.gz ANXVSXBJSIZSPS-LBPRGKRZSA-N 1 2 269.352 2.270 20 30 CEEDLO C=CCNC(=O)C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000173828549 367948956 /nfs/dbraw/zinc/94/89/56/367948956.db2.gz PUJZHIMKYDAPTN-GDBMZVCRSA-N 1 2 288.391 2.059 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000173828549 367948962 /nfs/dbraw/zinc/94/89/62/367948962.db2.gz PUJZHIMKYDAPTN-GDBMZVCRSA-N 1 2 288.391 2.059 20 30 CEEDLO COc1cc[nH+]cc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000343812803 368018479 /nfs/dbraw/zinc/01/84/79/368018479.db2.gz NDYXHZNRBPQBOM-UHFFFAOYSA-N 1 2 291.310 2.325 20 30 CEEDLO C[N@H+](CCc1ccccc1O)C[C@@H](C#N)CCC#N ZINC000344201908 368113359 /nfs/dbraw/zinc/11/33/59/368113359.db2.gz YYBODOBTORXWFD-CYBMUJFWSA-N 1 2 257.337 2.310 20 30 CEEDLO C[N@@H+](CCc1ccccc1O)C[C@@H](C#N)CCC#N ZINC000344201908 368113365 /nfs/dbraw/zinc/11/33/65/368113365.db2.gz YYBODOBTORXWFD-CYBMUJFWSA-N 1 2 257.337 2.310 20 30 CEEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)s2)C(C)(C)C1 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CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000226925534 370352569 /nfs/dbraw/zinc/35/25/69/370352569.db2.gz WXJKYIHXZJSYOG-CABCVRRESA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000226925534 370352572 /nfs/dbraw/zinc/35/25/72/370352572.db2.gz WXJKYIHXZJSYOG-CABCVRRESA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247315853 371092427 /nfs/dbraw/zinc/09/24/27/371092427.db2.gz VUSDGNLJDXJUGD-HUUCEWRRSA-N 1 2 292.379 2.404 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247315853 371092432 /nfs/dbraw/zinc/09/24/32/371092432.db2.gz VUSDGNLJDXJUGD-HUUCEWRRSA-N 1 2 292.379 2.404 20 30 CEEDLO CC[N@@H+](Cc1ccc(N(C)CCOC)nc1)C[C@H](C)C#N ZINC000248801895 371247466 /nfs/dbraw/zinc/24/74/66/371247466.db2.gz AGYQLFKHARAXFM-CQSZACIVSA-N 1 2 290.411 2.146 20 30 CEEDLO CC[N@H+](Cc1ccc(N(C)CCOC)nc1)C[C@H](C)C#N ZINC000248801895 371247469 /nfs/dbraw/zinc/24/74/69/371247469.db2.gz 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/nfs/dbraw/zinc/21/48/44/372214844.db2.gz SRVPDWCSUCTEMX-RJAOAUJVSA-N 1 2 276.405 2.461 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[S@@](=O)[C@@H](C)C1 ZINC000362091271 372214851 /nfs/dbraw/zinc/21/48/51/372214851.db2.gz SRVPDWCSUCTEMX-RJAOAUJVSA-N 1 2 276.405 2.461 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1snc(Cl)c1C#N ZINC000268933794 372294857 /nfs/dbraw/zinc/29/48/57/372294857.db2.gz CZRZQGSEMYPRQT-UHFFFAOYSA-N 1 2 281.772 2.391 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1nc2c(cc1C#N)CCC2 ZINC000268951564 372299429 /nfs/dbraw/zinc/29/94/29/372299429.db2.gz IKFAUTCGTXBVKP-UHFFFAOYSA-N 1 2 281.363 2.165 20 30 CEEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000269648475 372517984 /nfs/dbraw/zinc/51/79/84/372517984.db2.gz LOHORIZUNDPYBS-UHFFFAOYSA-N 1 2 281.363 2.343 20 30 CEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000269648475 372517987 /nfs/dbraw/zinc/51/79/87/372517987.db2.gz LOHORIZUNDPYBS-UHFFFAOYSA-N 1 2 281.363 2.343 20 30 CEEDLO COc1ccc(C[N@@H+](C)Cc2ccon2)cc1C#N ZINC000269710301 372543703 /nfs/dbraw/zinc/54/37/03/372543703.db2.gz PFHYBQQDOBRDIA-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO COc1ccc(C[N@H+](C)Cc2ccon2)cc1C#N ZINC000269710301 372543694 /nfs/dbraw/zinc/54/36/94/372543694.db2.gz PFHYBQQDOBRDIA-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO C=C(C)[C@H](CC(=O)NCc1ccn2cc[nH+]c2c1)OCC ZINC000270236760 372711659 /nfs/dbraw/zinc/71/16/59/372711659.db2.gz PFKCELVQRBXJBX-AWEZNQCLSA-N 1 2 287.363 2.322 20 30 CEEDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000365271683 372816049 /nfs/dbraw/zinc/81/60/49/372816049.db2.gz HAPLUSCENLKUIF-OAHLLOKOSA-N 1 2 292.354 2.323 20 30 CEEDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000365271683 372816055 /nfs/dbraw/zinc/81/60/55/372816055.db2.gz HAPLUSCENLKUIF-OAHLLOKOSA-N 1 2 292.354 2.323 20 30 CEEDLO Cc1cc(NC[C@@H]2CCOC3(CCC3)C2)c(C#N)c[nH+]1 ZINC000333416896 205303485 /nfs/dbraw/zinc/30/34/85/205303485.db2.gz IHRQHVSREMERKP-CYBMUJFWSA-N 1 2 271.364 2.445 20 30 CEEDLO 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253.305 2.334 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000275777322 374221267 /nfs/dbraw/zinc/22/12/67/374221267.db2.gz ZLJPDLLTYRFIER-DOMZBBRYSA-N 1 2 292.404 2.128 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000275777322 374221274 /nfs/dbraw/zinc/22/12/74/374221274.db2.gz ZLJPDLLTYRFIER-DOMZBBRYSA-N 1 2 292.404 2.128 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000645937218 374299160 /nfs/dbraw/zinc/29/91/60/374299160.db2.gz WFWBQEHJDUNMOW-HNNXBMFYSA-N 1 2 294.320 2.202 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000645937218 374299166 /nfs/dbraw/zinc/29/91/66/374299166.db2.gz WFWBQEHJDUNMOW-HNNXBMFYSA-N 1 2 294.320 2.202 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@]2(CCOC2)O1 ZINC000373478080 374362743 /nfs/dbraw/zinc/36/27/43/374362743.db2.gz DGWRCDXNGHUTKY-SJORKVTESA-N 1 2 286.375 2.328 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@]2(CCOC2)O1 ZINC000373478080 374362744 /nfs/dbraw/zinc/36/27/44/374362744.db2.gz DGWRCDXNGHUTKY-SJORKVTESA-N 1 2 286.375 2.328 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375954686 374691800 /nfs/dbraw/zinc/69/18/00/374691800.db2.gz NVJNJNGEUUGQLO-VPZZIHKRSA-N 1 2 276.405 2.320 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375954686 374691804 /nfs/dbraw/zinc/69/18/04/374691804.db2.gz NVJNJNGEUUGQLO-VPZZIHKRSA-N 1 2 276.405 2.320 20 30 CEEDLO C#CCCCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278172468 374740751 /nfs/dbraw/zinc/74/07/51/374740751.db2.gz UWSIAHSHFJXBNU-UONOGXRCSA-N 1 2 289.379 2.341 20 30 CEEDLO C#CCCCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278172468 374740758 /nfs/dbraw/zinc/74/07/58/374740758.db2.gz UWSIAHSHFJXBNU-UONOGXRCSA-N 1 2 289.379 2.341 20 30 CEEDLO CCc1ncc(CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000574543712 335028463 /nfs/dbraw/zinc/02/84/63/335028463.db2.gz FTYIHBGYOOILAN-UHFFFAOYSA-N 1 2 253.309 2.112 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000279394409 374859545 /nfs/dbraw/zinc/85/95/45/374859545.db2.gz ZCAXCWJYMIGHDJ-UHFFFAOYSA-N 1 2 294.424 2.019 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000279394409 374859552 /nfs/dbraw/zinc/85/95/52/374859552.db2.gz ZCAXCWJYMIGHDJ-UHFFFAOYSA-N 1 2 294.424 2.019 20 30 CEEDLO C#CCn1ccc(CN(CC)Cc2cn3ccccc3[nH+]2)n1 ZINC000279730667 374968657 /nfs/dbraw/zinc/96/86/57/374968657.db2.gz NFVCCUUHADMGIV-UHFFFAOYSA-N 1 2 293.374 2.186 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000280571714 375248597 /nfs/dbraw/zinc/24/85/97/375248597.db2.gz GSJFWIBHCUNPQS-LLVKDONJSA-N 1 2 284.319 2.203 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000280785950 375321503 /nfs/dbraw/zinc/32/15/03/375321503.db2.gz HDOXQYDKTYLCHR-CYBMUJFWSA-N 1 2 275.348 2.082 20 30 CEEDLO C#CCCOc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000280785950 375321510 /nfs/dbraw/zinc/32/15/10/375321510.db2.gz HDOXQYDKTYLCHR-CYBMUJFWSA-N 1 2 275.348 2.082 20 30 CEEDLO CC[C@@H](C)[N@H+](CC#Cc1ccccc1)CC(=O)OC ZINC000281215382 375364436 /nfs/dbraw/zinc/36/44/36/375364436.db2.gz DMAIWAAVVSLXST-CQSZACIVSA-N 1 2 259.349 2.312 20 30 CEEDLO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)CC(=O)OC ZINC000281215382 375364439 /nfs/dbraw/zinc/36/44/39/375364439.db2.gz DMAIWAAVVSLXST-CQSZACIVSA-N 1 2 259.349 2.312 20 30 CEEDLO C=C(C)C[N@H+](Cc1nnc2n1CCOC2)Cc1ccccc1 ZINC000281325965 375371962 /nfs/dbraw/zinc/37/19/62/375371962.db2.gz PPLZCVFBKZZRTM-UHFFFAOYSA-N 1 2 298.390 2.387 20 30 CEEDLO C=C(C)C[N@@H+](Cc1nnc2n1CCOC2)Cc1ccccc1 ZINC000281325965 375371963 /nfs/dbraw/zinc/37/19/63/375371963.db2.gz PPLZCVFBKZZRTM-UHFFFAOYSA-N 1 2 298.390 2.387 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000281468469 375381224 /nfs/dbraw/zinc/38/12/24/375381224.db2.gz OILMLXDACPNTFX-GFCCVEGCSA-N 1 2 275.352 2.108 20 30 CEEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1Cl ZINC000414122331 375796530 /nfs/dbraw/zinc/79/65/30/375796530.db2.gz IMLBUAQITKJCJP-LBPRGKRZSA-N 1 2 282.771 2.234 20 30 CEEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1Cl ZINC000414122331 375796535 /nfs/dbraw/zinc/79/65/35/375796535.db2.gz IMLBUAQITKJCJP-LBPRGKRZSA-N 1 2 282.771 2.234 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCCC2 ZINC000414142042 375798062 /nfs/dbraw/zinc/79/80/62/375798062.db2.gz MNNBBFYUGUTMKT-MRXNPFEDSA-N 1 2 288.391 2.151 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCCC2 ZINC000414142042 375798068 /nfs/dbraw/zinc/79/80/68/375798068.db2.gz MNNBBFYUGUTMKT-MRXNPFEDSA-N 1 2 288.391 2.151 20 30 CEEDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000283983560 375792093 /nfs/dbraw/zinc/79/20/93/375792093.db2.gz LPSPOOLRYUZQAH-UHFFFAOYSA-N 1 2 262.338 2.336 20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000287357292 376214751 /nfs/dbraw/zinc/21/47/51/376214751.db2.gz PMDKBKSQDLFNKY-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000287357292 376214755 /nfs/dbraw/zinc/21/47/55/376214755.db2.gz PMDKBKSQDLFNKY-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](O)C(F)(F)F ZINC000305775497 376485473 /nfs/dbraw/zinc/48/54/73/376485473.db2.gz NODHOUWOZBCQPL-NSHDSACASA-N 1 2 276.233 2.052 20 30 CEEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)C(F)(F)F ZINC000305775497 376485481 /nfs/dbraw/zinc/48/54/81/376485481.db2.gz NODHOUWOZBCQPL-NSHDSACASA-N 1 2 276.233 2.052 20 30 CEEDLO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000264285475 190101640 /nfs/dbraw/zinc/10/16/40/190101640.db2.gz PPYCPCHARGMYKE-MNOVXSKESA-N 1 2 295.333 2.358 20 30 CEEDLO Cc1csc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)n1 ZINC000559985885 376705119 /nfs/dbraw/zinc/70/51/19/376705119.db2.gz HLYHOFMSVYZOAN-JTQLQIEISA-N 1 2 298.375 2.217 20 30 CEEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCC#N)C1 ZINC000420999956 376775415 /nfs/dbraw/zinc/77/54/15/376775415.db2.gz CJZXLNWVKWCWBP-NWDGAFQWSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCC#N)C1 ZINC000420999956 376775422 /nfs/dbraw/zinc/77/54/22/376775422.db2.gz CJZXLNWVKWCWBP-NWDGAFQWSA-N 1 2 252.358 2.200 20 30 CEEDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C#N)c(F)c2)[nH]1 ZINC000421382843 376802622 /nfs/dbraw/zinc/80/26/22/376802622.db2.gz NADUCXLZGJALQT-UHFFFAOYSA-N 1 2 287.342 2.403 20 30 CEEDLO CC1(C)CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328612130 376861860 /nfs/dbraw/zinc/86/18/60/376861860.db2.gz PANOQUVOPGUMRG-LBPRGKRZSA-N 1 2 276.384 2.406 20 30 CEEDLO [O-]C(=[NH+]C[C@@H]1CCCC(F)(F)C1)N1CCn2cc[nH+]c2C1 ZINC000328729039 376887346 /nfs/dbraw/zinc/88/73/46/376887346.db2.gz VXWJMVJGQLQYQU-LLVKDONJSA-N 1 2 298.337 2.438 20 30 CEEDLO CO[C@](C)(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000329614125 376972876 /nfs/dbraw/zinc/97/28/76/376972876.db2.gz KOVDNPLXGPRMTK-IAQYHMDHSA-N 1 2 277.368 2.217 20 30 CEEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328938023 376925130 /nfs/dbraw/zinc/92/51/30/376925130.db2.gz RJWSRELDDHYMCI-FZMZJTMJSA-N 1 2 299.378 2.213 20 30 CEEDLO O=C(NCC[C@@H]1CCCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329335886 376949416 /nfs/dbraw/zinc/94/94/16/376949416.db2.gz LLDDNKNCVRZEMI-JSGCOSHPSA-N 1 2 277.368 2.361 20 30 CEEDLO O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329340615 376949581 /nfs/dbraw/zinc/94/95/81/376949581.db2.gz RQLGKNDNLHBLCG-YNEHKIRRSA-N 1 2 277.368 2.096 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1COc2ccccc2C1 ZINC000329547083 376966456 /nfs/dbraw/zinc/96/64/56/376966456.db2.gz HJNIRVMWGDEFAQ-QWHCGFSZSA-N 1 2 297.358 2.475 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1COc2ccccc2C1 ZINC000329547083 376966465 /nfs/dbraw/zinc/96/64/65/376966465.db2.gz HJNIRVMWGDEFAQ-QWHCGFSZSA-N 1 2 297.358 2.475 20 30 CEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@@]12CCOC2 ZINC000329692724 376995578 /nfs/dbraw/zinc/99/55/78/376995578.db2.gz ZZOSNESQBOVIRT-XJKSGUPXSA-N 1 2 289.379 2.145 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000563016341 377060040 /nfs/dbraw/zinc/06/00/40/377060040.db2.gz SMUMQZKHQAVDKG-LBPRGKRZSA-N 1 2 282.347 2.054 20 30 CEEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000330282350 377083947 /nfs/dbraw/zinc/08/39/47/377083947.db2.gz VHIYVJBWNIQZAB-RYUDHWBXSA-N 1 2 276.384 2.232 20 30 CEEDLO C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000330282350 377083953 /nfs/dbraw/zinc/08/39/53/377083953.db2.gz VHIYVJBWNIQZAB-RYUDHWBXSA-N 1 2 276.384 2.232 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3cccs3)CC2)nc1 ZINC000565459867 377662130 /nfs/dbraw/zinc/66/21/30/377662130.db2.gz KGZMRHYZMFGLCA-UHFFFAOYSA-N 1 2 284.388 2.337 20 30 CEEDLO C=CCn1cccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000565927811 377705341 /nfs/dbraw/zinc/70/53/41/377705341.db2.gz RYBGPVICJPKZPG-UHFFFAOYSA-N 1 2 272.352 2.081 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433019796 377777703 /nfs/dbraw/zinc/77/77/03/377777703.db2.gz AMGKMEKMMSVOLK-VLIAUNLRSA-N 1 2 293.432 2.452 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433019796 377777707 /nfs/dbraw/zinc/77/77/07/377777707.db2.gz AMGKMEKMMSVOLK-VLIAUNLRSA-N 1 2 293.432 2.452 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433293218 377783549 /nfs/dbraw/zinc/78/35/49/377783549.db2.gz CMLLPXAORXOQIL-NSHDSACASA-N 1 2 253.390 2.161 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433293218 377783556 /nfs/dbraw/zinc/78/35/56/377783556.db2.gz CMLLPXAORXOQIL-NSHDSACASA-N 1 2 253.390 2.161 20 30 CEEDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433301534 377784978 /nfs/dbraw/zinc/78/49/78/377784978.db2.gz GNDDTBHLLAHNGU-CYBMUJFWSA-N 1 2 267.417 2.361 20 30 CEEDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433301534 377784987 /nfs/dbraw/zinc/78/49/87/377784987.db2.gz GNDDTBHLLAHNGU-CYBMUJFWSA-N 1 2 267.417 2.361 20 30 CEEDLO C=C(C)CS(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000435432004 377805066 /nfs/dbraw/zinc/80/50/66/377805066.db2.gz GXGGHLPNXLGIAX-UHFFFAOYSA-N 1 2 291.376 2.072 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000567289255 377817165 /nfs/dbraw/zinc/81/71/65/377817165.db2.gz HWPOBUKXHLAYHR-LBPRGKRZSA-N 1 2 256.309 2.065 20 30 CEEDLO C=CCCOCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000294687096 378010438 /nfs/dbraw/zinc/01/04/38/378010438.db2.gz IKQUTUAWMQSWGM-LBPRGKRZSA-N 1 2 278.381 2.138 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000295202257 378050386 /nfs/dbraw/zinc/05/03/86/378050386.db2.gz SSQBTCNKGQDJOG-AWEZNQCLSA-N 1 2 275.396 2.327 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295202257 378050392 /nfs/dbraw/zinc/05/03/92/378050392.db2.gz SSQBTCNKGQDJOG-AWEZNQCLSA-N 1 2 275.396 2.327 20 30 CEEDLO C=CC[C@@H]1N(C(=O)[C@@H](C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444630748 378076647 /nfs/dbraw/zinc/07/66/47/378076647.db2.gz IITZUJAJFSUZGN-CABCVRRESA-N 1 2 294.439 2.300 20 30 CEEDLO C[C@@H](C[NH+]1CCN(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000449021174 378195633 /nfs/dbraw/zinc/19/56/33/378195633.db2.gz YHUAOMMOUSLMIU-LBPRGKRZSA-N 1 2 279.334 2.209 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@]1(C#N)C[C@H]1C ZINC000448595151 378174423 /nfs/dbraw/zinc/17/44/23/378174423.db2.gz FWTXVONPHWOHFB-BZNIZROVSA-N 1 2 282.347 2.011 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](SC)C1 ZINC000296221817 378458423 /nfs/dbraw/zinc/45/84/23/378458423.db2.gz KEVVQUNIBPONEZ-UONOGXRCSA-N 1 2 290.388 2.210 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](SC)C1 ZINC000296221817 378458428 /nfs/dbraw/zinc/45/84/28/378458428.db2.gz KEVVQUNIBPONEZ-UONOGXRCSA-N 1 2 290.388 2.210 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)nc1 ZINC000450464557 378432892 /nfs/dbraw/zinc/43/28/92/378432892.db2.gz ZZIAGKMCMIEKQU-UHFFFAOYSA-N 1 2 287.363 2.384 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)nc1 ZINC000450464557 378432897 /nfs/dbraw/zinc/43/28/97/378432897.db2.gz ZZIAGKMCMIEKQU-UHFFFAOYSA-N 1 2 287.363 2.384 20 30 CEEDLO Cc1c(C#N)cccc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000346934063 218062609 /nfs/dbraw/zinc/06/26/09/218062609.db2.gz IPIDURKHQMIAJQ-UHFFFAOYSA-N 1 2 279.303 2.241 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](CC)C(=O)OC ZINC000299175200 378925738 /nfs/dbraw/zinc/92/57/38/378925738.db2.gz YKXZPPQEUUUXMW-ZDUSSCGKSA-N 1 2 251.326 2.262 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@@H](CC)C(=O)OC ZINC000299175200 378925744 /nfs/dbraw/zinc/92/57/44/378925744.db2.gz YKXZPPQEUUUXMW-ZDUSSCGKSA-N 1 2 251.326 2.262 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266313041 190248389 /nfs/dbraw/zinc/24/83/89/190248389.db2.gz USSMMPKCUIMDMH-CYBMUJFWSA-N 1 2 277.368 2.099 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nncn1C ZINC000347176492 218146964 /nfs/dbraw/zinc/14/69/64/218146964.db2.gz VZBHGZGUWRPLGC-VHSXEESVSA-N 1 2 273.315 2.238 20 30 CEEDLO Cc1cc(NCCCc2[nH]nc(N)c2C#N)nc(C(C)C)[nH+]1 ZINC000301089818 379191713 /nfs/dbraw/zinc/19/17/13/379191713.db2.gz RHTPSYMVCNDXRD-UHFFFAOYSA-N 1 2 299.382 2.130 20 30 CEEDLO N#Cc1nccnc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000301192745 379216169 /nfs/dbraw/zinc/21/61/69/379216169.db2.gz SKFGKGCOHWHNPO-UHFFFAOYSA-N 1 2 278.319 2.269 20 30 CEEDLO Cc1cc(Nc2nccnc2C#N)ccc1[NH+](C)C ZINC000301150266 379206305 /nfs/dbraw/zinc/20/63/05/379206305.db2.gz CTDFODNZRAJBGB-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1CCC2 ZINC000519605625 379447151 /nfs/dbraw/zinc/44/71/51/379447151.db2.gz LPBHWNPNMVZEMU-QGZVFWFLSA-N 1 2 285.391 2.057 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000266892948 190288040 /nfs/dbraw/zinc/28/80/40/190288040.db2.gz DMIXRZOXHLTTBM-JTQLQIEISA-N 1 2 265.382 2.042 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000266892948 190288041 /nfs/dbraw/zinc/28/80/41/190288041.db2.gz DMIXRZOXHLTTBM-JTQLQIEISA-N 1 2 265.382 2.042 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc2ccccc2s1 ZINC000266969464 190294180 /nfs/dbraw/zinc/29/41/80/190294180.db2.gz ZGLSPJREUDGDBZ-UHFFFAOYSA-N 1 2 273.361 2.190 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1nc2ccccc2s1 ZINC000266969464 190294181 /nfs/dbraw/zinc/29/41/81/190294181.db2.gz ZGLSPJREUDGDBZ-UHFFFAOYSA-N 1 2 273.361 2.190 20 30 CEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccn(C)n1 ZINC000459773675 380067078 /nfs/dbraw/zinc/06/70/78/380067078.db2.gz CGPYRDPFLNHKAG-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO C#CCCCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268320941 190395500 /nfs/dbraw/zinc/39/55/00/190395500.db2.gz JXEHBRWQNQOZEY-UHFFFAOYSA-N 1 2 274.368 2.102 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535782302 380220139 /nfs/dbraw/zinc/22/01/39/380220139.db2.gz MVMVMSPQQYVVKY-UHFFFAOYSA-N 1 2 273.315 2.142 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535782302 380220142 /nfs/dbraw/zinc/22/01/42/380220142.db2.gz MVMVMSPQQYVVKY-UHFFFAOYSA-N 1 2 273.315 2.142 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(F)cc1 ZINC000491348726 380308151 /nfs/dbraw/zinc/30/81/51/380308151.db2.gz FFPRJJLJUDMONW-AWEZNQCLSA-N 1 2 288.347 2.450 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(C3CC3)nc2)n1 ZINC000491371571 380312584 /nfs/dbraw/zinc/31/25/84/380312584.db2.gz FOQNJZDYZYYYII-UHFFFAOYSA-N 1 2 295.390 2.206 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(C3CC3)nc2)n1 ZINC000491371571 380312589 /nfs/dbraw/zinc/31/25/89/380312589.db2.gz FOQNJZDYZYYYII-UHFFFAOYSA-N 1 2 295.390 2.206 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nnc(CCCCC)s1 ZINC000491370862 380312708 /nfs/dbraw/zinc/31/27/08/380312708.db2.gz BMYXAUYARFOQEK-NSHDSACASA-N 1 2 294.424 2.163 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nnc(CCCCC)s1 ZINC000491370862 380312712 /nfs/dbraw/zinc/31/27/12/380312712.db2.gz BMYXAUYARFOQEK-NSHDSACASA-N 1 2 294.424 2.163 20 30 CEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](C)(F)C1 ZINC000334412406 380375423 /nfs/dbraw/zinc/37/54/23/380375423.db2.gz LCPLXCGYABVIEJ-ABAIWWIYSA-N 1 2 275.327 2.319 20 30 CEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](C)(F)C1 ZINC000334412406 380375430 /nfs/dbraw/zinc/37/54/30/380375430.db2.gz LCPLXCGYABVIEJ-ABAIWWIYSA-N 1 2 275.327 2.319 20 30 CEEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000543812001 380346229 /nfs/dbraw/zinc/34/62/29/380346229.db2.gz YPOUEBVPMXRUAS-ZDUSSCGKSA-N 1 2 296.378 2.349 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548098014 380483602 /nfs/dbraw/zinc/48/36/02/380483602.db2.gz BOBIMFRISNNYKA-WDMOLILDSA-N 1 2 258.321 2.255 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548098014 380483611 /nfs/dbraw/zinc/48/36/11/380483611.db2.gz BOBIMFRISNNYKA-WDMOLILDSA-N 1 2 258.321 2.255 20 30 CEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000492507220 380582768 /nfs/dbraw/zinc/58/27/68/380582768.db2.gz ICSSTUQIAMYNMP-GFCCVEGCSA-N 1 2 279.384 2.279 20 30 CEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000492507220 380582776 /nfs/dbraw/zinc/58/27/76/380582776.db2.gz ICSSTUQIAMYNMP-GFCCVEGCSA-N 1 2 279.384 2.279 20 30 CEEDLO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC(=O)N1C ZINC000334556540 380585981 /nfs/dbraw/zinc/58/59/81/380585981.db2.gz DBUIPOJZXXQEBP-ZDUSSCGKSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC(=O)N1C ZINC000334556540 380585988 /nfs/dbraw/zinc/58/59/88/380585988.db2.gz DBUIPOJZXXQEBP-ZDUSSCGKSA-N 1 2 263.385 2.013 20 30 CEEDLO CC1(C)C(=O)NCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000334563803 380601493 /nfs/dbraw/zinc/60/14/93/380601493.db2.gz MXDDBTNHHGAZRE-UHFFFAOYSA-N 1 2 263.385 2.061 20 30 CEEDLO CC1(C)C(=O)NCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000334563803 380601499 /nfs/dbraw/zinc/60/14/99/380601499.db2.gz MXDDBTNHHGAZRE-UHFFFAOYSA-N 1 2 263.385 2.061 20 30 CEEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)Cc1ccccc1 ZINC000279154164 194308233 /nfs/dbraw/zinc/30/82/33/194308233.db2.gz BBGBMFBQBVYDDV-UHFFFAOYSA-N 1 2 281.421 2.499 20 30 CEEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)Cc1ccccc1 ZINC000279154164 194308235 /nfs/dbraw/zinc/30/82/35/194308235.db2.gz BBGBMFBQBVYDDV-UHFFFAOYSA-N 1 2 281.421 2.499 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn3ccccc23)n1 ZINC000279357925 194399094 /nfs/dbraw/zinc/39/90/94/194399094.db2.gz GWVBKZFMUPHJSV-UHFFFAOYSA-N 1 2 293.374 2.186 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn3ccccc23)n1 ZINC000279357925 194399095 /nfs/dbraw/zinc/39/90/95/194399095.db2.gz GWVBKZFMUPHJSV-UHFFFAOYSA-N 1 2 293.374 2.186 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496834064 381229150 /nfs/dbraw/zinc/22/91/50/381229150.db2.gz KUQVJHYQEWUKNO-NSHDSACASA-N 1 2 267.373 2.087 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496834064 381229160 /nfs/dbraw/zinc/22/91/60/381229160.db2.gz KUQVJHYQEWUKNO-NSHDSACASA-N 1 2 267.373 2.087 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](CC#N)C2)C1 ZINC000496951270 381234309 /nfs/dbraw/zinc/23/43/09/381234309.db2.gz URFUESQETARFSB-KBPBESRZSA-N 1 2 293.411 2.479 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](CC#N)C2)C1 ZINC000496951270 381234321 /nfs/dbraw/zinc/23/43/21/381234321.db2.gz URFUESQETARFSB-KBPBESRZSA-N 1 2 293.411 2.479 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335305336 208151330 /nfs/dbraw/zinc/15/13/30/208151330.db2.gz FURBYBTZAQQYPD-GFCCVEGCSA-N 1 2 295.346 2.269 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335305336 208151335 /nfs/dbraw/zinc/15/13/35/208151335.db2.gz FURBYBTZAQQYPD-GFCCVEGCSA-N 1 2 295.346 2.269 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)o1 ZINC000353752397 220306894 /nfs/dbraw/zinc/30/68/94/220306894.db2.gz LCTXTXPXZNLYJX-NWDGAFQWSA-N 1 2 288.269 2.429 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)o1 ZINC000353752397 220306898 /nfs/dbraw/zinc/30/68/98/220306898.db2.gz LCTXTXPXZNLYJX-NWDGAFQWSA-N 1 2 288.269 2.429 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1cc(C#N)cs1 ZINC000177006636 533091023 /nfs/dbraw/zinc/09/10/23/533091023.db2.gz WFMXSFSKRKUBLO-UHFFFAOYSA-N 1 2 259.290 2.276 20 30 CEEDLO N#Cc1ccccc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281740765 195359434 /nfs/dbraw/zinc/35/94/34/195359434.db2.gz QKUPWSPSVRKHKK-GOSISDBHSA-N 1 2 294.354 2.318 20 30 CEEDLO C[C@@H](CCC#N)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000351472473 533511958 /nfs/dbraw/zinc/51/19/58/533511958.db2.gz OXMPSNWJUHZCIJ-JTQLQIEISA-N 1 2 281.297 2.197 20 30 CEEDLO COc1cccc2c1[nH+]c(NCc1cc(C#N)n(C)c1)n2C ZINC000191574172 130257440 /nfs/dbraw/zinc/25/74/40/130257440.db2.gz FAIOGWATDJKFBQ-UHFFFAOYSA-N 1 2 295.346 2.404 20 30 CEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(N)=O ZINC000263730939 131317772 /nfs/dbraw/zinc/31/77/72/131317772.db2.gz DZBSHNZUMMKEQA-QMMMGPOBSA-N 1 2 258.774 2.263 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(N)=O ZINC000263730939 131317773 /nfs/dbraw/zinc/31/77/73/131317773.db2.gz DZBSHNZUMMKEQA-QMMMGPOBSA-N 1 2 258.774 2.263 20 30 CEEDLO CC#CCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000355710949 394510658 /nfs/dbraw/zinc/51/06/58/394510658.db2.gz GEJWKIFXUQYXGP-UHFFFAOYSA-N 1 2 269.348 2.264 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCOC1 ZINC000329500240 394567506 /nfs/dbraw/zinc/56/75/06/394567506.db2.gz KEZIZEJCTNGVFW-YNEHKIRRSA-N 1 2 277.368 2.217 20 30 CEEDLO O=C(NCC[C@@H]1CCOC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329535551 394570410 /nfs/dbraw/zinc/57/04/10/394570410.db2.gz ZMNPMXZFQDVLSL-UKRRQHHQSA-N 1 2 296.411 2.013 20 30 CEEDLO O=C(NCC[C@@H]1CCOC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329535551 394570413 /nfs/dbraw/zinc/57/04/13/394570413.db2.gz ZMNPMXZFQDVLSL-UKRRQHHQSA-N 1 2 296.411 2.013 20 30 CEEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000320584649 394546480 /nfs/dbraw/zinc/54/64/80/394546480.db2.gz YFBBBKUJJIHFKD-HNNXBMFYSA-N 1 2 295.342 2.280 20 30 CEEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000320584649 394546483 /nfs/dbraw/zinc/54/64/83/394546483.db2.gz YFBBBKUJJIHFKD-HNNXBMFYSA-N 1 2 295.342 2.280 20 30 CEEDLO C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330370401 394601550 /nfs/dbraw/zinc/60/15/50/394601550.db2.gz FGEYDVXTROFMHS-DGCLKSJQSA-N 1 2 276.384 2.340 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000334234816 394666801 /nfs/dbraw/zinc/66/68/01/394666801.db2.gz GTHPHKYHURWPDC-ZDUSSCGKSA-N 1 2 286.379 2.210 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330496444 394615875 /nfs/dbraw/zinc/61/58/75/394615875.db2.gz YBBXUQOINNESJL-LLVKDONJSA-N 1 2 278.356 2.285 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330496444 394615878 /nfs/dbraw/zinc/61/58/78/394615878.db2.gz YBBXUQOINNESJL-LLVKDONJSA-N 1 2 278.356 2.285 20 30 CEEDLO Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1 ZINC000330625470 394622421 /nfs/dbraw/zinc/62/24/21/394622421.db2.gz TVAWGCKAPGNXKD-OCCSQVGLSA-N 1 2 291.395 2.112 20 30 CEEDLO N#CC[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCCC1 ZINC000265643829 394651579 /nfs/dbraw/zinc/65/15/79/394651579.db2.gz KWGKZXYXYOROSC-OAHLLOKOSA-N 1 2 292.354 2.334 20 30 CEEDLO N#CC[N@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCCC1 ZINC000265643829 394651581 /nfs/dbraw/zinc/65/15/81/394651581.db2.gz KWGKZXYXYOROSC-OAHLLOKOSA-N 1 2 292.354 2.334 20 30 CEEDLO N#CC[N@@H+](C[C@H](O)COc1ccc(F)cc1)C1CCCC1 ZINC000265643827 394651605 /nfs/dbraw/zinc/65/16/05/394651605.db2.gz KWGKZXYXYOROSC-HNNXBMFYSA-N 1 2 292.354 2.334 20 30 CEEDLO N#CC[N@H+](C[C@H](O)COc1ccc(F)cc1)C1CCCC1 ZINC000265643827 394651607 /nfs/dbraw/zinc/65/16/07/394651607.db2.gz KWGKZXYXYOROSC-HNNXBMFYSA-N 1 2 292.354 2.334 20 30 CEEDLO C=CCCC1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000359122266 394742499 /nfs/dbraw/zinc/74/24/99/394742499.db2.gz HIKBMGANAMHZSJ-UHFFFAOYSA-N 1 2 259.353 2.356 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[N@H+](C)C[C@H](C)C#N ZINC000267348866 394676632 /nfs/dbraw/zinc/67/66/32/394676632.db2.gz FGPSNOJGWQMENE-SNVBAGLBSA-N 1 2 264.325 2.220 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000267348866 394676638 /nfs/dbraw/zinc/67/66/38/394676638.db2.gz FGPSNOJGWQMENE-SNVBAGLBSA-N 1 2 264.325 2.220 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C)CC#N ZINC000268305568 394692021 /nfs/dbraw/zinc/69/20/21/394692021.db2.gz OCFNVAIVASGRGD-LBPRGKRZSA-N 1 2 273.336 2.180 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)CC#N ZINC000268305568 394692026 /nfs/dbraw/zinc/69/20/26/394692026.db2.gz OCFNVAIVASGRGD-LBPRGKRZSA-N 1 2 273.336 2.180 20 30 CEEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](C)C#N)[nH+]1 ZINC000335682556 394787949 /nfs/dbraw/zinc/78/79/49/394787949.db2.gz ARVQAJVNSGVEPZ-SECBINFHSA-N 1 2 254.293 2.483 20 30 CEEDLO N#CC1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000121076459 394792052 /nfs/dbraw/zinc/79/20/52/394792052.db2.gz LJHOCVIDUOXYLU-CQSZACIVSA-N 1 2 285.347 2.145 20 30 CEEDLO O[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC12CC2 ZINC000335858735 394805464 /nfs/dbraw/zinc/80/54/64/394805464.db2.gz BITIDCHASBRKTC-CQSZACIVSA-N 1 2 261.752 2.148 20 30 CEEDLO O[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC12CC2 ZINC000335858735 394805467 /nfs/dbraw/zinc/80/54/67/394805467.db2.gz BITIDCHASBRKTC-CQSZACIVSA-N 1 2 261.752 2.148 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(=O)OC ZINC000361108195 394815856 /nfs/dbraw/zinc/81/58/56/394815856.db2.gz JSLLVHMETWNKNV-AVGNSLFASA-N 1 2 269.385 2.145 20 30 CEEDLO N#CCC1(CNc2cc(NCC3(CC#N)CC3)[nH+]cn2)CC1 ZINC000362366125 394856379 /nfs/dbraw/zinc/85/63/79/394856379.db2.gz RSIWRYBZVUYZQZ-UHFFFAOYSA-N 1 2 296.378 2.110 20 30 CEEDLO C[N@H+](CCOCCC#N)Cc1nccn1Cc1ccccc1 ZINC000339006592 394936268 /nfs/dbraw/zinc/93/62/68/394936268.db2.gz TURFSBIJJYQFNJ-UHFFFAOYSA-N 1 2 298.390 2.293 20 30 CEEDLO C[N@@H+](CCOCCC#N)Cc1nccn1Cc1ccccc1 ZINC000339006592 394936274 /nfs/dbraw/zinc/93/62/74/394936274.db2.gz TURFSBIJJYQFNJ-UHFFFAOYSA-N 1 2 298.390 2.293 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cncc(Br)c1 ZINC000132875622 394939881 /nfs/dbraw/zinc/93/98/81/394939881.db2.gz FFDOPOAUDLJMHY-VIFPVBQESA-N 1 2 268.158 2.436 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cncc(Br)c1 ZINC000132875622 394939883 /nfs/dbraw/zinc/93/98/83/394939883.db2.gz FFDOPOAUDLJMHY-VIFPVBQESA-N 1 2 268.158 2.436 20 30 CEEDLO C=CCOCC[N@@H+]1CCOc2cccc(F)c2C1 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395080574 /nfs/dbraw/zinc/08/05/74/395080574.db2.gz VVNOPDCKRBFZJC-UHFFFAOYSA-N 1 2 262.382 2.021 20 30 CEEDLO C#Cc1ccc(C[N@H+](C)Cc2ncnn2CC(F)F)cc1 ZINC000289603947 395081973 /nfs/dbraw/zinc/08/19/73/395081973.db2.gz JCPOCRIQBYSIQN-UHFFFAOYSA-N 1 2 290.317 2.157 20 30 CEEDLO C#Cc1ccc(C[N@@H+](C)Cc2ncnn2CC(F)F)cc1 ZINC000289603947 395081974 /nfs/dbraw/zinc/08/19/74/395081974.db2.gz JCPOCRIQBYSIQN-UHFFFAOYSA-N 1 2 290.317 2.157 20 30 CEEDLO COc1cc(OC)c(C[NH2+]CC(C)(C)C#N)c(OC)c1 ZINC000168918669 395089112 /nfs/dbraw/zinc/08/91/12/395089112.db2.gz GPIMDOSFPTVULT-UHFFFAOYSA-N 1 2 278.352 2.352 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCc2nc(C(C)C)no2)ccc1F ZINC000172412449 395102784 /nfs/dbraw/zinc/10/27/84/395102784.db2.gz CBIXRZKNCLBQHP-UHFFFAOYSA-N 1 2 292.314 2.478 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290190066 395095783 /nfs/dbraw/zinc/09/57/83/395095783.db2.gz CBDFJMOMNDRAJB-UHFFFAOYSA-N 1 2 260.746 2.031 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 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N#CCC[N@H+](CCc1cccnc1)Cc1ccccn1 ZINC000178721902 395173980 /nfs/dbraw/zinc/17/39/80/395173980.db2.gz AFBFLLPAMFPKKB-UHFFFAOYSA-N 1 2 266.348 2.435 20 30 CEEDLO N#CCC[N@@H+](CCc1cccnc1)Cc1ccccn1 ZINC000178721902 395173986 /nfs/dbraw/zinc/17/39/86/395173986.db2.gz AFBFLLPAMFPKKB-UHFFFAOYSA-N 1 2 266.348 2.435 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000182451392 395241822 /nfs/dbraw/zinc/24/18/22/395241822.db2.gz MSQKJROVWXVYES-GFCCVEGCSA-N 1 2 282.771 2.234 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000182451392 395241824 /nfs/dbraw/zinc/24/18/24/395241824.db2.gz MSQKJROVWXVYES-GFCCVEGCSA-N 1 2 282.771 2.234 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000292983493 395211650 /nfs/dbraw/zinc/21/16/50/395211650.db2.gz FNDLOLATBBBELL-AWEZNQCLSA-N 1 2 265.353 2.418 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000292983493 395211658 /nfs/dbraw/zinc/21/16/58/395211658.db2.gz FNDLOLATBBBELL-AWEZNQCLSA-N 1 2 265.353 2.418 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000519732238 395215082 /nfs/dbraw/zinc/21/50/82/395215082.db2.gz WZPOTTHDDUAATC-UHFFFAOYSA-N 1 2 299.378 2.463 20 30 CEEDLO CO[C@@H](C)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000181631474 395220393 /nfs/dbraw/zinc/22/03/93/395220393.db2.gz DNWDWYQOOAVNCJ-VIFPVBQESA-N 1 2 256.733 2.206 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411255998 395324658 /nfs/dbraw/zinc/32/46/58/395324658.db2.gz HOCAPABFEZVGKW-KBPBESRZSA-N 1 2 294.395 2.113 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411255998 395324660 /nfs/dbraw/zinc/32/46/60/395324660.db2.gz HOCAPABFEZVGKW-KBPBESRZSA-N 1 2 294.395 2.113 20 30 CEEDLO C=CCCC[C@H](C)[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353011194 395283659 /nfs/dbraw/zinc/28/36/59/395283659.db2.gz YPSLUCAJIPFWQE-NSHDSACASA-N 1 2 278.318 2.438 20 30 CEEDLO C=CCCC[C@H](C)[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353011194 395283665 /nfs/dbraw/zinc/28/36/65/395283665.db2.gz YPSLUCAJIPFWQE-NSHDSACASA-N 1 2 278.318 2.438 20 30 CEEDLO N#Cc1ccc(C2([NH2+]Cc3ncccn3)CCOCC2)cc1 ZINC000528784773 395295027 /nfs/dbraw/zinc/29/50/27/395295027.db2.gz QDMHKLFUHBOMSI-UHFFFAOYSA-N 1 2 294.358 2.144 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000411321215 395326507 /nfs/dbraw/zinc/32/65/07/395326507.db2.gz HIGZVXXEILCZQV-DOMZBBRYSA-N 1 2 260.337 2.458 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000411321215 395326512 /nfs/dbraw/zinc/32/65/12/395326512.db2.gz HIGZVXXEILCZQV-DOMZBBRYSA-N 1 2 260.337 2.458 20 30 CEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352458601 395255718 /nfs/dbraw/zinc/25/57/18/395255718.db2.gz MSGXNAHODAAVJT-UHFFFAOYSA-N 1 2 293.298 2.431 20 30 CEEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352464111 395257206 /nfs/dbraw/zinc/25/72/06/395257206.db2.gz OXTFLJZKIYHBRB-ZDUSSCGKSA-N 1 2 295.402 2.399 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352469432 395257349 /nfs/dbraw/zinc/25/73/49/395257349.db2.gz 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/nfs/dbraw/zinc/34/93/22/395349322.db2.gz KOVSLUGJTLIFIG-UHFFFAOYSA-N 1 2 286.419 2.081 20 30 CEEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578111 395519273 /nfs/dbraw/zinc/51/92/73/395519273.db2.gz NECKFDGZBQAAMP-IAGOWNOFSA-N 1 2 297.402 2.249 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000573635245 395612835 /nfs/dbraw/zinc/61/28/35/395612835.db2.gz JDRXEEJTSCRSKE-UHFFFAOYSA-N 1 2 282.303 2.493 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000573635245 395612838 /nfs/dbraw/zinc/61/28/38/395612838.db2.gz JDRXEEJTSCRSKE-UHFFFAOYSA-N 1 2 282.303 2.493 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000570104349 395581461 /nfs/dbraw/zinc/58/14/61/395581461.db2.gz JJEWYINDMIEEOU-AWEZNQCLSA-N 1 2 271.364 2.248 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000451106121 395583538 /nfs/dbraw/zinc/58/35/38/395583538.db2.gz UYZZNLAIJHLVGE-GFCCVEGCSA-N 1 2 271.324 2.045 20 30 CEEDLO CCOc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1C ZINC000572870836 395592069 /nfs/dbraw/zinc/59/20/69/395592069.db2.gz GLWDDKNXLSRQAW-OAHLLOKOSA-N 1 2 291.395 2.012 20 30 CEEDLO CCOc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1C ZINC000572870836 395592071 /nfs/dbraw/zinc/59/20/71/395592071.db2.gz GLWDDKNXLSRQAW-OAHLLOKOSA-N 1 2 291.395 2.012 20 30 CEEDLO CO[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000459426690 395666203 /nfs/dbraw/zinc/66/62/03/395666203.db2.gz DLUMYGBKEIHPAV-YPMHNXCESA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000459426690 395666204 /nfs/dbraw/zinc/66/62/04/395666204.db2.gz DLUMYGBKEIHPAV-YPMHNXCESA-N 1 2 289.335 2.466 20 30 CEEDLO Cc1cc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883960 395667546 /nfs/dbraw/zinc/66/75/46/395667546.db2.gz SZYIZRXDYAFSAL-STQMWFEESA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1cc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1C#N ZINC000487883960 395667547 /nfs/dbraw/zinc/66/75/47/395667547.db2.gz SZYIZRXDYAFSAL-STQMWFEESA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1nc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1C#N ZINC000488088960 395667981 /nfs/dbraw/zinc/66/79/81/395667981.db2.gz YRPMHIDMSJYPOM-HNNXBMFYSA-N 1 2 280.331 2.314 20 30 CEEDLO C=C[C@@H](O)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000646716770 396371280 /nfs/dbraw/zinc/37/12/80/396371280.db2.gz BGESXEXBCIMPDJ-OAHLLOKOSA-N 1 2 297.358 2.372 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1cncnc1OC ZINC000647182367 396432351 /nfs/dbraw/zinc/43/23/51/396432351.db2.gz YKMHGNKDGOWGOH-UHFFFAOYSA-N 1 2 285.347 2.340 20 30 CEEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)o1)c1ccncc1 ZINC000191904589 153197379 /nfs/dbraw/zinc/19/73/79/153197379.db2.gz ZUEUSLBQLTZGPZ-INIZCTEOSA-N 1 2 299.330 2.114 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000234100187 153419213 /nfs/dbraw/zinc/41/92/13/153419213.db2.gz PWTOIPDYCUHQCE-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000234100187 153419215 /nfs/dbraw/zinc/41/92/15/153419215.db2.gz PWTOIPDYCUHQCE-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO N#Cc1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)nn1 ZINC000301834305 154182416 /nfs/dbraw/zinc/18/24/16/154182416.db2.gz KJEBXCZZDHRYEJ-UHFFFAOYSA-N 1 2 284.710 2.261 20 30 CEEDLO Cn1c[nH+]cc1Cc1noc(/C=C\c2cccc(C#N)c2)n1 ZINC000357956087 154416629 /nfs/dbraw/zinc/41/66/29/154416629.db2.gz KEEIRTWFKXIZQZ-WAYWQWQTSA-N 1 2 291.314 2.436 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)ccc1F ZINC000285236655 196229111 /nfs/dbraw/zinc/22/91/11/196229111.db2.gz GISDECJESLCWAT-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)ccc1F ZINC000285236655 196229112 /nfs/dbraw/zinc/22/91/12/196229112.db2.gz GISDECJESLCWAT-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(F)cncc1F ZINC000285405553 196274998 /nfs/dbraw/zinc/27/49/98/196274998.db2.gz FKGWXVWHGJMHEU-VIFPVBQESA-N 1 2 276.290 2.421 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)cc2F)nn1 ZINC000657394101 414910210 /nfs/dbraw/zinc/91/02/10/414910210.db2.gz JXCKJHXLZHIUTN-UHFFFAOYSA-N 1 2 290.342 2.292 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](COC)c2ccccc2)nn1 ZINC000653603605 415050480 /nfs/dbraw/zinc/05/04/80/415050480.db2.gz WMDLLSVPYSJRNW-MRXNPFEDSA-N 1 2 286.379 2.332 20 30 CEEDLO C=CCN(CCOC)c1[nH+]ccc2c(N)cccc21 ZINC000663839835 415066752 /nfs/dbraw/zinc/06/67/52/415066752.db2.gz ROVJRLXPMYIJQH-UHFFFAOYSA-N 1 2 257.337 2.456 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@H]2C2CC2)nn1 ZINC000653744887 415091428 /nfs/dbraw/zinc/09/14/28/415091428.db2.gz WGIJCKYTLHHTRY-AWEZNQCLSA-N 1 2 278.425 2.182 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCSC[C@H]2C2CC2)nn1 ZINC000653744887 415091430 /nfs/dbraw/zinc/09/14/30/415091430.db2.gz WGIJCKYTLHHTRY-AWEZNQCLSA-N 1 2 278.425 2.182 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCN(C)c3ccccc3C2)nn1 ZINC000653540811 415027669 /nfs/dbraw/zinc/02/76/69/415027669.db2.gz UZWPUNKGIXZOSZ-UHFFFAOYSA-N 1 2 297.406 2.306 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCN(C)c3ccccc3C2)nn1 ZINC000653540811 415027673 /nfs/dbraw/zinc/02/76/73/415027673.db2.gz UZWPUNKGIXZOSZ-UHFFFAOYSA-N 1 2 297.406 2.306 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@H](C(C)C)C2)nn1 ZINC000653560871 415034207 /nfs/dbraw/zinc/03/42/07/415034207.db2.gz IRADSWXTBBJDSS-AWEZNQCLSA-N 1 2 280.441 2.428 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@H](C(C)C)C2)nn1 ZINC000653560871 415034212 /nfs/dbraw/zinc/03/42/12/415034212.db2.gz IRADSWXTBBJDSS-AWEZNQCLSA-N 1 2 280.441 2.428 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(C)n1CCC)[C@@H](C)COC ZINC000661240428 415150884 /nfs/dbraw/zinc/15/08/84/415150884.db2.gz OTHDKYRGKVNWBY-LBPRGKRZSA-N 1 2 266.389 2.019 20 30 CEEDLO C=CC[N@H+](Cc1nnc(C)n1CCC)[C@@H](C)COC ZINC000661240428 415150892 /nfs/dbraw/zinc/15/08/92/415150892.db2.gz OTHDKYRGKVNWBY-LBPRGKRZSA-N 1 2 266.389 2.019 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)COC ZINC000661240777 415150984 /nfs/dbraw/zinc/15/09/84/415150984.db2.gz QYLVGDIIRPIWFB-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)COC ZINC000661240777 415150989 /nfs/dbraw/zinc/15/09/89/415150989.db2.gz QYLVGDIIRPIWFB-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000661205320 415131000 /nfs/dbraw/zinc/13/10/00/415131000.db2.gz UOYANNOKDGUFGB-OLZOCXBDSA-N 1 2 288.395 2.265 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000661205320 415131006 /nfs/dbraw/zinc/13/10/06/415131006.db2.gz UOYANNOKDGUFGB-OLZOCXBDSA-N 1 2 288.395 2.265 20 30 CEEDLO C=CC[C@H]1CCC[N@@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000661384332 415234538 /nfs/dbraw/zinc/23/45/38/415234538.db2.gz IDBIHSGERQNSIA-JTQLQIEISA-N 1 2 289.305 2.024 20 30 CEEDLO C=CC[C@H]1CCC[N@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000661384332 415234542 /nfs/dbraw/zinc/23/45/42/415234542.db2.gz IDBIHSGERQNSIA-JTQLQIEISA-N 1 2 289.305 2.024 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827233 415493100 /nfs/dbraw/zinc/49/31/00/415493100.db2.gz HKHSHXUEUITLEV-JSGCOSHPSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827233 415493103 /nfs/dbraw/zinc/49/31/03/415493103.db2.gz HKHSHXUEUITLEV-JSGCOSHPSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCC[C@@H](CC)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655796885 415477289 /nfs/dbraw/zinc/47/72/89/415477289.db2.gz JZWWXZKSSNCBOO-VXGBXAGGSA-N 1 2 264.373 2.491 20 30 CEEDLO C#CC[N@@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000072185047 176334993 /nfs/dbraw/zinc/33/49/93/176334993.db2.gz LJHAJRSADJERIL-UHFFFAOYSA-N 1 2 256.305 2.415 20 30 CEEDLO C#CC[N@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000072185047 176334995 /nfs/dbraw/zinc/33/49/95/176334995.db2.gz LJHAJRSADJERIL-UHFFFAOYSA-N 1 2 256.305 2.415 20 30 CEEDLO COCC[N@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC000077272549 177248116 /nfs/dbraw/zinc/24/81/16/177248116.db2.gz CRHPSLZKCFQLHC-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO COCC[N@@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC000077272549 177248117 /nfs/dbraw/zinc/24/81/17/177248117.db2.gz CRHPSLZKCFQLHC-UHFFFAOYSA-N 1 2 271.320 2.195 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354740607 227087884 /nfs/dbraw/zinc/08/78/84/227087884.db2.gz WUVIAXDDIQVANE-ZDUSSCGKSA-N 1 2 286.441 2.215 20 30 CEEDLO CCS(=O)(=O)CCCCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354740607 227087889 /nfs/dbraw/zinc/08/78/89/227087889.db2.gz WUVIAXDDIQVANE-ZDUSSCGKSA-N 1 2 286.441 2.215 20 30 CEEDLO CCn1nc(C)c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000329148121 227328147 /nfs/dbraw/zinc/32/81/47/227328147.db2.gz PLHBWUPCZAWPPH-NSHDSACASA-N 1 2 287.367 2.105 20 30 CEEDLO CCn1nc(C)c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000329148121 227328151 /nfs/dbraw/zinc/32/81/51/227328151.db2.gz PLHBWUPCZAWPPH-NSHDSACASA-N 1 2 287.367 2.105 20 30 CEEDLO C=CCN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H](C)COC ZINC000666974843 419500135 /nfs/dbraw/zinc/50/01/35/419500135.db2.gz ANEGRFYYUHFFJF-LBPRGKRZSA-N 1 2 288.351 2.389 20 30 CEEDLO C=CCOCCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000666315237 419623289 /nfs/dbraw/zinc/62/32/89/419623289.db2.gz UXYSLSQKAYVWGY-UHFFFAOYSA-N 1 2 263.341 2.413 20 30 CEEDLO C=C(Br)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297364023 260119362 /nfs/dbraw/zinc/11/93/62/260119362.db2.gz HAXGRGQSTQZTRN-UHFFFAOYSA-N 1 2 293.205 2.352 20 30 CEEDLO C=C(Br)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297364023 260119364 /nfs/dbraw/zinc/11/93/64/260119364.db2.gz HAXGRGQSTQZTRN-UHFFFAOYSA-N 1 2 293.205 2.352 20 30 CEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1(C#N)CC1 ZINC000408108792 260235414 /nfs/dbraw/zinc/23/54/14/260235414.db2.gz BOVIIYGAQHCFPU-AGIUHOORSA-N 1 2 262.353 2.096 20 30 CEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC1(C#N)CC1 ZINC000408108792 260235415 /nfs/dbraw/zinc/23/54/15/260235415.db2.gz BOVIIYGAQHCFPU-AGIUHOORSA-N 1 2 262.353 2.096 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000249814394 261258897 /nfs/dbraw/zinc/25/88/97/261258897.db2.gz AHAGROLWOSPPKZ-IUODEOHRSA-N 1 2 277.368 2.327 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000249814394 261258899 /nfs/dbraw/zinc/25/88/99/261258899.db2.gz AHAGROLWOSPPKZ-IUODEOHRSA-N 1 2 277.368 2.327 20 30 CEEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000187335295 262132296 /nfs/dbraw/zinc/13/22/96/262132296.db2.gz NJGNLUCDMQOVQF-GFCCVEGCSA-N 1 2 291.782 2.459 20 30 CEEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H](O)CC(F)(F)F ZINC000189498831 262172297 /nfs/dbraw/zinc/17/22/97/262172297.db2.gz FXVJVLTZENBZNG-JTQLQIEISA-N 1 2 276.258 2.309 20 30 CEEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H](O)CC(F)(F)F ZINC000189498831 262172298 /nfs/dbraw/zinc/17/22/98/262172298.db2.gz FXVJVLTZENBZNG-JTQLQIEISA-N 1 2 276.258 2.309 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364420992 262236692 /nfs/dbraw/zinc/23/66/92/262236692.db2.gz SLYLLSFILVJAEO-JTQLQIEISA-N 1 2 287.285 2.022 20 30 CEEDLO C=C(C)CN(CC)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413035306 262754586 /nfs/dbraw/zinc/75/45/86/262754586.db2.gz CJXJAHQLQJBBCE-ZIAGYGMSSA-N 1 2 290.411 2.086 20 30 CEEDLO C=C(C)CN(CC)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413035306 262754587 /nfs/dbraw/zinc/75/45/87/262754587.db2.gz CJXJAHQLQJBBCE-ZIAGYGMSSA-N 1 2 290.411 2.086 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cc(-c2cnn(C)c2C)no1 ZINC000274331936 263023123 /nfs/dbraw/zinc/02/31/23/263023123.db2.gz LQXAYGBOUXMLDM-UHFFFAOYSA-N 1 2 273.340 2.119 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cc(-c2cnn(C)c2C)no1 ZINC000274331936 263023124 /nfs/dbraw/zinc/02/31/24/263023124.db2.gz LQXAYGBOUXMLDM-UHFFFAOYSA-N 1 2 273.340 2.119 20 30 CEEDLO Cc1cccc(CC2(O)CC[NH+](CCC#N)CC2)c1 ZINC000280229273 263059789 /nfs/dbraw/zinc/05/97/89/263059789.db2.gz AHROIWWLBSBFEV-UHFFFAOYSA-N 1 2 258.365 2.278 20 30 CEEDLO NC(=[NH+]OCc1ccc(Cl)cc1F)[C@H]1CCCO1 ZINC000284494753 263087032 /nfs/dbraw/zinc/08/70/32/263087032.db2.gz SOHSAWGUGYVBSB-LLVKDONJSA-N 1 2 272.707 2.447 20 30 CEEDLO CC(C)(C)c1csc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284547136 263087400 /nfs/dbraw/zinc/08/74/00/263087400.db2.gz VTYVHZHFMCWJJU-VIFPVBQESA-N 1 2 283.397 2.408 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000285723069 263095127 /nfs/dbraw/zinc/09/51/27/263095127.db2.gz UQTBWCUISPBJDK-OAHLLOKOSA-N 1 2 274.368 2.330 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000290471704 263116992 /nfs/dbraw/zinc/11/69/92/263116992.db2.gz UUOZCHLNNWRTIP-UHFFFAOYSA-N 1 2 293.392 2.314 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000292714125 263134220 /nfs/dbraw/zinc/13/42/20/263134220.db2.gz DOXLZBPVCSCFCO-UHFFFAOYSA-N 1 2 295.390 2.452 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000292725387 263134461 /nfs/dbraw/zinc/13/44/61/263134461.db2.gz FRRAVSJSMZDXDE-UHFFFAOYSA-N 1 2 254.337 2.475 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000292725387 263134462 /nfs/dbraw/zinc/13/44/62/263134462.db2.gz FRRAVSJSMZDXDE-UHFFFAOYSA-N 1 2 254.337 2.475 20 30 CEEDLO CC#CCCCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341692387 263346117 /nfs/dbraw/zinc/34/61/17/263346117.db2.gz RAXMFMAKDBDUGQ-CQSZACIVSA-N 1 2 259.353 2.181 20 30 CEEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC000342018377 263379503 /nfs/dbraw/zinc/37/95/03/263379503.db2.gz NKNMZKQKPBNONW-SNVBAGLBSA-N 1 2 280.397 2.160 20 30 CEEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)sc1C ZINC000330817151 264046706 /nfs/dbraw/zinc/04/67/06/264046706.db2.gz GKSHUEIGKIFOKI-MVWJERBFSA-N 1 2 292.408 2.369 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1 ZINC000330821830 264047448 /nfs/dbraw/zinc/04/74/48/264047448.db2.gz HJRNYHKGEQEGCO-OUCADQQQSA-N 1 2 257.337 2.295 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(F)c1 ZINC000330865772 264057158 /nfs/dbraw/zinc/05/71/58/264057158.db2.gz XMNGIQPYUYLHNO-COPLHBTASA-N 1 2 275.327 2.435 20 30 CEEDLO C=CCN(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000331167915 264146021 /nfs/dbraw/zinc/14/60/21/264146021.db2.gz TTYUFUKHCVMXGA-GFCCVEGCSA-N 1 2 262.357 2.101 20 30 CEEDLO Cn1ncc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1C(F)(F)F ZINC000331355730 264207445 /nfs/dbraw/zinc/20/74/45/264207445.db2.gz RAOSOJOEYSDSJJ-WCBMZHEXSA-N 1 2 272.274 2.221 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000331353384 264207610 /nfs/dbraw/zinc/20/76/10/264207610.db2.gz OYIQKWBLUMQGNO-ZANVPECISA-N 1 2 279.290 2.185 20 30 CEEDLO N#CC1(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000343264017 264266982 /nfs/dbraw/zinc/26/69/82/264266982.db2.gz ZNOKLMPJZKRMMQ-UHFFFAOYSA-N 1 2 289.423 2.405 20 30 CEEDLO N#CC1(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000343264017 264266985 /nfs/dbraw/zinc/26/69/85/264266985.db2.gz ZNOKLMPJZKRMMQ-UHFFFAOYSA-N 1 2 289.423 2.405 20 30 CEEDLO C=C1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000281910315 264499545 /nfs/dbraw/zinc/49/95/45/264499545.db2.gz GKUWWBUXGGDPOQ-UHFFFAOYSA-N 1 2 254.337 2.419 20 30 CEEDLO CCOC(=O)[C@H]1C[N@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000343311693 264637583 /nfs/dbraw/zinc/63/75/83/264637583.db2.gz OXZUFDCSGBUTJA-HNNXBMFYSA-N 1 2 284.359 2.453 20 30 CEEDLO CCOC(=O)[C@H]1C[N@@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000343311693 264637584 /nfs/dbraw/zinc/63/75/84/264637584.db2.gz OXZUFDCSGBUTJA-HNNXBMFYSA-N 1 2 284.359 2.453 20 30 CEEDLO C=CCC[C@H](C)Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291203137 264815551 /nfs/dbraw/zinc/81/55/51/264815551.db2.gz NFYVXSLKKWGYJC-AWEZNQCLSA-N 1 2 287.407 2.385 20 30 CEEDLO C=CCC[C@H](C)Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291203137 264815552 /nfs/dbraw/zinc/81/55/52/264815552.db2.gz NFYVXSLKKWGYJC-AWEZNQCLSA-N 1 2 287.407 2.385 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000356610291 266148515 /nfs/dbraw/zinc/14/85/15/266148515.db2.gz OODNKLMIDYSMEE-CYBMUJFWSA-N 1 2 273.380 2.482 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000357917060 266384916 /nfs/dbraw/zinc/38/49/16/266384916.db2.gz ILBJGQXBJHVSNK-CYBMUJFWSA-N 1 2 253.390 2.256 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000357917060 266384919 /nfs/dbraw/zinc/38/49/19/266384919.db2.gz ILBJGQXBJHVSNK-CYBMUJFWSA-N 1 2 253.390 2.256 20 30 CEEDLO C=CCC[C@H](O)C[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000367781981 267117278 /nfs/dbraw/zinc/11/72/78/267117278.db2.gz SPJQTVHDVBSKJL-VIFPVBQESA-N 1 2 287.310 2.303 20 30 CEEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368129048 267146324 /nfs/dbraw/zinc/14/63/24/267146324.db2.gz MKLJHZGQFHKBNU-UONOGXRCSA-N 1 2 286.379 2.106 20 30 CEEDLO CC[C@@H](C)C[NH2+][C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000421199351 267184970 /nfs/dbraw/zinc/18/49/70/267184970.db2.gz KMHPJDZRKJYDAQ-RISCZKNCSA-N 1 2 260.337 2.408 20 30 CEEDLO CC(C)(O)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369295709 267233767 /nfs/dbraw/zinc/23/37/67/267233767.db2.gz YDUGMYKVFSKPMI-HIFRSBDPSA-N 1 2 266.385 2.075 20 30 CEEDLO CC(C)(O)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369295709 267233769 /nfs/dbraw/zinc/23/37/69/267233769.db2.gz YDUGMYKVFSKPMI-HIFRSBDPSA-N 1 2 266.385 2.075 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000455961798 267257616 /nfs/dbraw/zinc/25/76/16/267257616.db2.gz ZPRCWVYGIBASNI-UHFFFAOYSA-N 1 2 283.335 2.405 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369874355 267273524 /nfs/dbraw/zinc/27/35/24/267273524.db2.gz PCCYESAIVMJFSP-CQSZACIVSA-N 1 2 299.378 2.421 20 30 CEEDLO C#CC[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000370202804 267298403 /nfs/dbraw/zinc/29/84/03/267298403.db2.gz CSSKWSOYSQVAEC-RYUDHWBXSA-N 1 2 260.341 2.058 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)C1(C(N)=O)CCCC1 ZINC000439453902 267314349 /nfs/dbraw/zinc/31/43/49/267314349.db2.gz QITSDYVQVMCVTJ-UHFFFAOYSA-N 1 2 291.782 2.442 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1(C(N)=O)CCCC1 ZINC000439453902 267314351 /nfs/dbraw/zinc/31/43/51/267314351.db2.gz QITSDYVQVMCVTJ-UHFFFAOYSA-N 1 2 291.782 2.442 20 30 CEEDLO Cc1nc(CCNc2cc(C)[nH+]cc2C#N)cs1 ZINC000399346392 267596378 /nfs/dbraw/zinc/59/63/78/267596378.db2.gz BKXHTAVYJZFINJ-UHFFFAOYSA-N 1 2 258.350 2.103 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000425545521 267725007 /nfs/dbraw/zinc/72/50/07/267725007.db2.gz GFXIZZGKALJJEG-LBPRGKRZSA-N 1 2 297.362 2.194 20 30 CEEDLO Cc1ccc(O)c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)n1 ZINC000459612729 268040209 /nfs/dbraw/zinc/04/02/09/268040209.db2.gz MOODSBJEPNQKSP-UHFFFAOYSA-N 1 2 295.342 2.231 20 30 CEEDLO Cn1cc(C#N)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000433514706 268125917 /nfs/dbraw/zinc/12/59/17/268125917.db2.gz GQDDIHSKOIOFJX-UHFFFAOYSA-N 1 2 291.314 2.335 20 30 CEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](F)C3)o2)cc1 ZINC000451179722 268196669 /nfs/dbraw/zinc/19/66/69/268196669.db2.gz AYOSRXXPRZSTDZ-LBPRGKRZSA-N 1 2 272.283 2.152 20 30 CEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](F)C3)o2)cc1 ZINC000451179722 268196670 /nfs/dbraw/zinc/19/66/70/268196670.db2.gz AYOSRXXPRZSTDZ-LBPRGKRZSA-N 1 2 272.283 2.152 20 30 CEEDLO Cc1cc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c(C#N)c[nH+]1 ZINC000425210496 271140811 /nfs/dbraw/zinc/14/08/11/271140811.db2.gz UURJYZBQDYQYOD-CQSZACIVSA-N 1 2 298.390 2.004 20 30 CEEDLO CO[C@H](CCNc1cc(C)[nH+]cc1C#N)C(F)(F)F ZINC000425249190 271145932 /nfs/dbraw/zinc/14/59/32/271145932.db2.gz AUMAWUDWQGLEJZ-LLVKDONJSA-N 1 2 273.258 2.063 20 30 CEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000267880111 276890884 /nfs/dbraw/zinc/89/08/84/276890884.db2.gz OEEZWJKLBGUTSW-ZDUSSCGKSA-N 1 2 299.374 2.034 20 30 CEEDLO CC1(C)CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329753143 278250954 /nfs/dbraw/zinc/25/09/54/278250954.db2.gz WNYKWTSAQHLATH-NSHDSACASA-N 1 2 276.384 2.303 20 30 CEEDLO CC1(C)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329753143 278250955 /nfs/dbraw/zinc/25/09/55/278250955.db2.gz WNYKWTSAQHLATH-NSHDSACASA-N 1 2 276.384 2.303 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)c2ccc(CC#N)cc2)c2[nH+]ccn21 ZINC000335159996 278496410 /nfs/dbraw/zinc/49/64/10/278496410.db2.gz SMCRFMUEFXKZRJ-FZMZJTMJSA-N 1 2 280.331 2.385 20 30 CEEDLO CC[C@@H](C)[C@H]([NH2+]CCOc1ccccc1C#N)C(=O)OC ZINC000347993606 280125105 /nfs/dbraw/zinc/12/51/05/280125105.db2.gz BOHRIDHXOHPRBZ-DOMZBBRYSA-N 1 2 290.363 2.114 20 30 CEEDLO C[C@@H](CNC(=O)/C=C\c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000255310513 280486165 /nfs/dbraw/zinc/48/61/65/280486165.db2.gz GQFCVJQIDQKVNC-GXMNPTEKSA-N 1 2 294.358 2.220 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330297360 293113912 /nfs/dbraw/zinc/11/39/12/293113912.db2.gz GVGWQLCQLUOISS-CABZTGNLSA-N 1 2 287.367 2.298 20 30 CEEDLO CC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)cc1 ZINC000580081226 327694542 /nfs/dbraw/zinc/69/45/42/327694542.db2.gz HHULKJVPGPCJER-ZBFHGGJFSA-N 1 2 291.370 2.279 20 30 CEEDLO CCOc1ncccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174263373 312688425 /nfs/dbraw/zinc/68/84/25/312688425.db2.gz YOKJJYWCBSOLAP-UHFFFAOYSA-N 1 2 257.293 2.235 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000188395779 327751919 /nfs/dbraw/zinc/75/19/19/327751919.db2.gz JJLLNZRTOCWHEM-GFCCVEGCSA-N 1 2 272.327 2.320 20 30 CEEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000174124981 327775089 /nfs/dbraw/zinc/77/50/89/327775089.db2.gz LZODKVCGFZHRCC-UHFFFAOYSA-N 1 2 292.314 2.307 20 30 CEEDLO Cc1cnc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)s1 ZINC000573921223 314182684 /nfs/dbraw/zinc/18/26/84/314182684.db2.gz NFTNKZHDCKQUGR-SNVBAGLBSA-N 1 2 298.375 2.217 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1cc(C#N)ncn1)c1ccccc1 ZINC000577258006 314356945 /nfs/dbraw/zinc/35/69/45/314356945.db2.gz BZWVZEMKRPQMCV-OAHLLOKOSA-N 1 2 290.330 2.283 20 30 CEEDLO Cc1cc(N2CCC[C@@H](c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000577385788 314371161 /nfs/dbraw/zinc/37/11/61/314371161.db2.gz OZCMCFYKAOQQHV-CYBMUJFWSA-N 1 2 281.363 2.379 20 30 CEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)Cn1cc[nH+]c1 ZINC000578587210 314494479 /nfs/dbraw/zinc/49/44/79/314494479.db2.gz AQVGJKDSJHHLQE-UHFFFAOYSA-N 1 2 284.319 2.181 20 30 CEEDLO CC(C)(NC(=O)c1ccc(CC#N)cc1)c1[nH]cc[nH+]1 ZINC000563282843 328007721 /nfs/dbraw/zinc/00/77/21/328007721.db2.gz KEIMUQWVXDCVOD-UHFFFAOYSA-N 1 2 268.320 2.141 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000531824660 328040332 /nfs/dbraw/zinc/04/03/32/328040332.db2.gz LTWNQKXSFIFNIR-UHFFFAOYSA-N 1 2 272.352 2.056 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000531824660 328040334 /nfs/dbraw/zinc/04/03/34/328040334.db2.gz LTWNQKXSFIFNIR-UHFFFAOYSA-N 1 2 272.352 2.056 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000531835037 328041757 /nfs/dbraw/zinc/04/17/57/328041757.db2.gz ZRIUXTNFRLRTKB-MYMJJRTCSA-N 1 2 286.379 2.232 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000565168288 328072412 /nfs/dbraw/zinc/07/24/12/328072412.db2.gz CMMUEYZGWVUNID-WDEREUQCSA-N 1 2 270.336 2.416 20 30 CEEDLO N#CCC[N@H+](CC[C@@H]1CCOC1)Cc1cccnc1 ZINC000437590888 328208163 /nfs/dbraw/zinc/20/81/63/328208163.db2.gz NLIPLTKRRFZPJP-CQSZACIVSA-N 1 2 259.353 2.224 20 30 CEEDLO N#CCC[N@@H+](CC[C@@H]1CCOC1)Cc1cccnc1 ZINC000437590888 328208164 /nfs/dbraw/zinc/20/81/64/328208164.db2.gz NLIPLTKRRFZPJP-CQSZACIVSA-N 1 2 259.353 2.224 20 30 CEEDLO CCNC(=O)C1(C/[NH+]=C/c2cccc(OC)c2O)CCC1 ZINC000276746285 328219068 /nfs/dbraw/zinc/21/90/68/328219068.db2.gz FOPPXJZHWFGQND-LICLKQGHSA-N 1 2 290.363 2.126 20 30 CEEDLO COc1c(C)c[nH+]c(Cn2cc(C)cc(C#N)c2=O)c1C ZINC000580326717 322311412 /nfs/dbraw/zinc/31/14/12/322311412.db2.gz XVIMTDXEEHZHLD-UHFFFAOYSA-N 1 2 283.331 2.097 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000330711807 328469064 /nfs/dbraw/zinc/46/90/64/328469064.db2.gz VANREKRLCLTSEQ-DZGCQCFKSA-N 1 2 263.385 2.081 20 30 CEEDLO C=CCN1CC[C@@H](N(C)c2cc(C(F)(F)F)cc[nH+]2)C1=O ZINC000281959634 328506581 /nfs/dbraw/zinc/50/65/81/328506581.db2.gz STXAMUZXODGONF-LLVKDONJSA-N 1 2 299.296 2.324 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000584116116 327041930 /nfs/dbraw/zinc/04/19/30/327041930.db2.gz JWLGMQHXVDUXNH-SMDDNHRTSA-N 1 2 289.335 2.466 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000584116116 327041931 /nfs/dbraw/zinc/04/19/31/327041931.db2.gz JWLGMQHXVDUXNH-SMDDNHRTSA-N 1 2 289.335 2.466 20 30 CEEDLO Cc1ccc(/C=C\CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566309827 327299923 /nfs/dbraw/zinc/29/99/23/327299923.db2.gz ULNMNTVVQRYQEY-OSJSJHBBSA-N 1 2 285.391 2.358 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000574769473 327376535 /nfs/dbraw/zinc/37/65/35/327376535.db2.gz YMBITOCSGORIBQ-MWLCHTKSSA-N 1 2 280.759 2.344 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000378328734 329046314 /nfs/dbraw/zinc/04/63/14/329046314.db2.gz XADZHWAPRUWGTP-GFCCVEGCSA-N 1 2 279.409 2.281 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000378328734 329046315 /nfs/dbraw/zinc/04/63/15/329046315.db2.gz XADZHWAPRUWGTP-GFCCVEGCSA-N 1 2 279.409 2.281 20 30 CEEDLO C=C(Br)CN1CCC[C@H]1c1[nH+]ccn1C ZINC000378370686 329047819 /nfs/dbraw/zinc/04/78/19/329047819.db2.gz PHBCJJDKOSQQEX-JTQLQIEISA-N 1 2 270.174 2.466 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000378540009 329054314 /nfs/dbraw/zinc/05/43/14/329054314.db2.gz BLSMHWBSILVOAM-CYBMUJFWSA-N 1 2 259.353 2.277 20 30 CEEDLO C[C@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176130879 329174117 /nfs/dbraw/zinc/17/41/17/329174117.db2.gz HIDVJBYFVDGELY-DOMZBBRYSA-N 1 2 289.354 2.208 20 30 CEEDLO C[C@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176130879 329174118 /nfs/dbraw/zinc/17/41/18/329174118.db2.gz HIDVJBYFVDGELY-DOMZBBRYSA-N 1 2 289.354 2.208 20 30 CEEDLO C=C(C)C[N@@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000181310604 329230590 /nfs/dbraw/zinc/23/05/90/329230590.db2.gz HRCLKPUKHIEYIT-UHFFFAOYSA-N 1 2 292.379 2.499 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000181310604 329230592 /nfs/dbraw/zinc/23/05/92/329230592.db2.gz HRCLKPUKHIEYIT-UHFFFAOYSA-N 1 2 292.379 2.499 20 30 CEEDLO C=CCC1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC000572115702 329945929 /nfs/dbraw/zinc/94/59/29/329945929.db2.gz IDQZSXFJRYKRDY-UHFFFAOYSA-N 1 2 261.369 2.215 20 30 CEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000264472766 330061433 /nfs/dbraw/zinc/06/14/33/330061433.db2.gz NWTNGHVRGFQOCJ-CYBMUJFWSA-N 1 2 276.384 2.443 20 30 CEEDLO C=CCC[C@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000421816329 330085813 /nfs/dbraw/zinc/08/58/13/330085813.db2.gz PMCIVJSLGGDXAM-CYBMUJFWSA-N 1 2 273.336 2.085 20 30 CEEDLO CCC(CC)[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580436107 330134127 /nfs/dbraw/zinc/13/41/27/330134127.db2.gz OKEFZZWEBVBMHX-SMDDNHRTSA-N 1 2 253.390 2.019 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(C2CC2)c1 ZINC000424135714 330270546 /nfs/dbraw/zinc/27/05/46/330270546.db2.gz MTVNICOBZKZKSE-HNNXBMFYSA-N 1 2 274.364 2.149 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C2CC2)c1 ZINC000424135714 330270547 /nfs/dbraw/zinc/27/05/47/330270547.db2.gz MTVNICOBZKZKSE-HNNXBMFYSA-N 1 2 274.364 2.149 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cncc(C)c2)nn1 ZINC000424295529 330335861 /nfs/dbraw/zinc/33/58/61/330335861.db2.gz MXLSRWGRCGFFAM-GFCCVEGCSA-N 1 2 257.341 2.018 20 30 CEEDLO C=CC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000121393499 330399921 /nfs/dbraw/zinc/39/99/21/330399921.db2.gz KCXUANDXBDIMPV-NSHDSACASA-N 1 2 283.169 2.093 20 30 CEEDLO C=CC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000121393499 330399922 /nfs/dbraw/zinc/39/99/22/330399922.db2.gz KCXUANDXBDIMPV-NSHDSACASA-N 1 2 283.169 2.093 20 30 CEEDLO C=CCCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000447961778 330881606 /nfs/dbraw/zinc/88/16/06/330881606.db2.gz DNNNYAXXLSOVSQ-UHFFFAOYSA-N 1 2 264.373 2.305 20 30 CEEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@H+]1CCCC#N ZINC000451154205 331017868 /nfs/dbraw/zinc/01/78/68/331017868.db2.gz LFDCTWWBIKVIFN-UHFFFAOYSA-N 1 2 285.391 2.413 20 30 CEEDLO CC1(C)C(=O)N(Cc2ccccc2)CC[N@@H+]1CCCC#N ZINC000451154205 331017869 /nfs/dbraw/zinc/01/78/69/331017869.db2.gz LFDCTWWBIKVIFN-UHFFFAOYSA-N 1 2 285.391 2.413 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451961575 331048340 /nfs/dbraw/zinc/04/83/40/331048340.db2.gz DMGOBTRXZUGDDS-CQSZACIVSA-N 1 2 280.318 2.404 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451961575 331048341 /nfs/dbraw/zinc/04/83/41/331048341.db2.gz DMGOBTRXZUGDDS-CQSZACIVSA-N 1 2 280.318 2.404 20 30 CEEDLO C=C(C)CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000452718064 331073293 /nfs/dbraw/zinc/07/32/93/331073293.db2.gz NZAHPNNANZIEQI-UHFFFAOYSA-N 1 2 260.328 2.046 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000454261692 331143165 /nfs/dbraw/zinc/14/31/65/331143165.db2.gz MTTYCULUPACPIB-UHFFFAOYSA-N 1 2 276.384 2.159 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCc1c[nH+]ccc1OC ZINC000454988674 331158272 /nfs/dbraw/zinc/15/82/72/331158272.db2.gz LDDMRQPGSZIQFY-UHFFFAOYSA-N 1 2 263.341 2.102 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCCNc1cccc[nH+]1 ZINC000455360123 331166979 /nfs/dbraw/zinc/16/69/79/331166979.db2.gz BSHGKNAHKDJJCR-UHFFFAOYSA-N 1 2 262.357 2.005 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)NCc1c[nH+]ccc1OC ZINC000458818393 331261483 /nfs/dbraw/zinc/26/14/83/331261483.db2.gz YHWMFOVWEQGZDD-ZDUSSCGKSA-N 1 2 275.352 2.340 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000458988539 331264322 /nfs/dbraw/zinc/26/43/22/331264322.db2.gz ALVSZIQQMDRKCW-AWEZNQCLSA-N 1 2 290.411 2.350 20 30 CEEDLO C=CC[N@@H+](Cc1cnnn1CC)Cc1ccc(OC)cc1 ZINC000459300714 331275329 /nfs/dbraw/zinc/27/53/29/331275329.db2.gz KQRCNQHECHJKIO-UHFFFAOYSA-N 1 2 286.379 2.495 20 30 CEEDLO C=CC[N@H+](Cc1cnnn1CC)Cc1ccc(OC)cc1 ZINC000459300714 331275330 /nfs/dbraw/zinc/27/53/30/331275330.db2.gz KQRCNQHECHJKIO-UHFFFAOYSA-N 1 2 286.379 2.495 20 30 CEEDLO C=CCn1cccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000488405122 332004553 /nfs/dbraw/zinc/00/45/53/332004553.db2.gz IAJJWNXTOKJXFH-UHFFFAOYSA-N 1 2 298.390 2.179 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000489438745 332052258 /nfs/dbraw/zinc/05/22/58/332052258.db2.gz PQKZZZGKPRCNDM-JTQLQIEISA-N 1 2 251.355 2.122 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1nccs1 ZINC000489438745 332052259 /nfs/dbraw/zinc/05/22/59/332052259.db2.gz PQKZZZGKPRCNDM-JTQLQIEISA-N 1 2 251.355 2.122 20 30 CEEDLO C=CCCCS(=O)(=O)N(CC)c1cc[nH+]cc1 ZINC000489557859 332059187 /nfs/dbraw/zinc/05/91/87/332059187.db2.gz ZLMGLEWIVXETGP-UHFFFAOYSA-N 1 2 254.355 2.204 20 30 CEEDLO C#C[C@@H](NC(=O)c1ccc2[nH+]c(C)n(C)c2c1)C(C)C ZINC000490632016 332097821 /nfs/dbraw/zinc/09/78/21/332097821.db2.gz XRWFRYCRLGFHJS-CYBMUJFWSA-N 1 2 269.348 2.269 20 30 CEEDLO C#C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)C(C)C ZINC000490963118 332133973 /nfs/dbraw/zinc/13/39/73/332133973.db2.gz TUDPOCHIQHJAAB-AWEZNQCLSA-N 1 2 288.395 2.231 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000491288433 332182364 /nfs/dbraw/zinc/18/23/64/332182364.db2.gz RZQRHHYOKLBHDQ-CYBMUJFWSA-N 1 2 269.348 2.422 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000491288433 332182365 /nfs/dbraw/zinc/18/23/65/332182365.db2.gz RZQRHHYOKLBHDQ-CYBMUJFWSA-N 1 2 269.348 2.422 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000491351716 332195442 /nfs/dbraw/zinc/19/54/42/332195442.db2.gz VLGWDEXPORAGMU-CZUORRHYSA-N 1 2 297.333 2.075 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)cc2)n1 ZINC000491408714 332206946 /nfs/dbraw/zinc/20/69/46/332206946.db2.gz WNOJTZIHRQVSTD-UHFFFAOYSA-N 1 2 297.402 2.473 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)cc2)n1 ZINC000491408714 332206947 /nfs/dbraw/zinc/20/69/47/332206947.db2.gz WNOJTZIHRQVSTD-UHFFFAOYSA-N 1 2 297.402 2.473 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000491555119 332237205 /nfs/dbraw/zinc/23/72/05/332237205.db2.gz OVKCPPFSGDBKHP-UHFFFAOYSA-N 1 2 292.382 2.457 20 30 CEEDLO C#CC[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000491555119 332237206 /nfs/dbraw/zinc/23/72/06/332237206.db2.gz OVKCPPFSGDBKHP-UHFFFAOYSA-N 1 2 292.382 2.457 20 30 CEEDLO C#C[C@H](CCC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491629260 332252399 /nfs/dbraw/zinc/25/23/99/332252399.db2.gz LUYFFDXQUQXNTB-CYBMUJFWSA-N 1 2 255.321 2.174 20 30 CEEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000491631631 332254182 /nfs/dbraw/zinc/25/41/82/332254182.db2.gz PBLAXSUWHPTSEU-HOCLYGCPSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000491631631 332254183 /nfs/dbraw/zinc/25/41/83/332254183.db2.gz PBLAXSUWHPTSEU-HOCLYGCPSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491642212 332261554 /nfs/dbraw/zinc/26/15/54/332261554.db2.gz AHIRIYGILYMPBJ-CYBMUJFWSA-N 1 2 299.349 2.389 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491642212 332261556 /nfs/dbraw/zinc/26/15/56/332261556.db2.gz AHIRIYGILYMPBJ-CYBMUJFWSA-N 1 2 299.349 2.389 20 30 CEEDLO C#CC[N@H+](Cc1cn(CC2CC2)nn1)C1CCCC1 ZINC000491693582 332289956 /nfs/dbraw/zinc/28/99/56/332289956.db2.gz DBZSBXIYLITZJB-UHFFFAOYSA-N 1 2 258.369 2.066 20 30 CEEDLO C#CC[N@@H+](Cc1cn(CC2CC2)nn1)C1CCCC1 ZINC000491693582 332289957 /nfs/dbraw/zinc/28/99/57/332289957.db2.gz DBZSBXIYLITZJB-UHFFFAOYSA-N 1 2 258.369 2.066 20 30 CEEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)C1CC1 ZINC000491712357 332303608 /nfs/dbraw/zinc/30/36/08/332303608.db2.gz XAYIQJLCPCKEBZ-UHFFFAOYSA-N 1 2 283.331 2.343 20 30 CEEDLO C#CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)C1CC1 ZINC000491712357 332303609 /nfs/dbraw/zinc/30/36/09/332303609.db2.gz XAYIQJLCPCKEBZ-UHFFFAOYSA-N 1 2 283.331 2.343 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)c1ncc(Br)cn1 ZINC000491723970 332308663 /nfs/dbraw/zinc/30/86/63/332308663.db2.gz AGUGDAYFZPUOGY-VIFPVBQESA-N 1 2 268.158 2.255 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)c1ncc(Br)cn1 ZINC000491723970 332308665 /nfs/dbraw/zinc/30/86/65/332308665.db2.gz AGUGDAYFZPUOGY-VIFPVBQESA-N 1 2 268.158 2.255 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000491734885 332315305 /nfs/dbraw/zinc/31/53/05/332315305.db2.gz JIHDPTWSCJHJDJ-OAHLLOKOSA-N 1 2 284.403 2.379 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000491734885 332315306 /nfs/dbraw/zinc/31/53/06/332315306.db2.gz JIHDPTWSCJHJDJ-OAHLLOKOSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@@H](CC)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491774842 332340505 /nfs/dbraw/zinc/34/05/05/332340505.db2.gz CWIVQKZXJYSKKD-HNNXBMFYSA-N 1 2 267.332 2.073 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000491812260 332364527 /nfs/dbraw/zinc/36/45/27/332364527.db2.gz HBVMZDYOGJLOGI-UHFFFAOYSA-N 1 2 277.389 2.078 20 30 CEEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)CC)cc1)C1CC1 ZINC000491812260 332364528 /nfs/dbraw/zinc/36/45/28/332364528.db2.gz HBVMZDYOGJLOGI-UHFFFAOYSA-N 1 2 277.389 2.078 20 30 CEEDLO C#C[C@@H](CC)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491814605 332366044 /nfs/dbraw/zinc/36/60/44/332366044.db2.gz SIMSCBPMTSNBEU-GJZGRUSLSA-N 1 2 281.359 2.460 20 30 CEEDLO C#CC[C@H](C)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491940443 332376350 /nfs/dbraw/zinc/37/63/50/332376350.db2.gz PIEWKJZJFCZWOR-RNVIBTMRSA-N 1 2 279.343 2.414 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492258308 332389637 /nfs/dbraw/zinc/38/96/37/332389637.db2.gz LNWMGUFTYBSLAL-WDEREUQCSA-N 1 2 255.362 2.134 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492258308 332389638 /nfs/dbraw/zinc/38/96/38/332389638.db2.gz LNWMGUFTYBSLAL-WDEREUQCSA-N 1 2 255.362 2.134 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(CC#N)ccn1 ZINC000492527349 332401628 /nfs/dbraw/zinc/40/16/28/332401628.db2.gz DSDIZNLSKKOVMR-ONEGZZNKSA-N 1 2 281.319 2.016 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)NCC#Cc1cccc(F)c1 ZINC000492768889 332412693 /nfs/dbraw/zinc/41/26/93/332412693.db2.gz PEYYCFUZTWDBKS-CMDGGOBGSA-N 1 2 297.333 2.223 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)s1 ZINC000493148918 332428271 /nfs/dbraw/zinc/42/82/71/332428271.db2.gz JSANMCVCFJPMBI-IYNGYCSASA-N 1 2 297.811 2.375 20 30 CEEDLO CC1(C#N)CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000495090878 332505295 /nfs/dbraw/zinc/50/52/95/332505295.db2.gz ZROJUSLDPFZMEZ-UHFFFAOYSA-N 1 2 277.368 2.335 20 30 CEEDLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(CCC#N)CC1 ZINC000572875037 334886742 /nfs/dbraw/zinc/88/67/42/334886742.db2.gz XKIPRUYZQIKADY-NSHDSACASA-N 1 2 274.372 2.085 20 30 CEEDLO C#CC[N@H+](Cc1cn(Cc2cccnc2)nn1)C1CCCC1 ZINC000183112617 333119217 /nfs/dbraw/zinc/11/92/17/333119217.db2.gz TVCJNWWJXQOYEH-UHFFFAOYSA-N 1 2 295.390 2.099 20 30 CEEDLO C#CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)C1CCCC1 ZINC000183112617 333119219 /nfs/dbraw/zinc/11/92/19/333119219.db2.gz TVCJNWWJXQOYEH-UHFFFAOYSA-N 1 2 295.390 2.099 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000192229603 333232911 /nfs/dbraw/zinc/23/29/11/333232911.db2.gz KEKVXFFQRSNTSG-UHFFFAOYSA-N 1 2 272.392 2.034 20 30 CEEDLO C#CC[N@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000192229603 333232912 /nfs/dbraw/zinc/23/29/12/333232912.db2.gz KEKVXFFQRSNTSG-UHFFFAOYSA-N 1 2 272.392 2.034 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000576170327 335164331 /nfs/dbraw/zinc/16/43/31/335164331.db2.gz GRIIAFBHSADHEY-IINYFYTJSA-N 1 2 286.310 2.108 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000576170327 335164333 /nfs/dbraw/zinc/16/43/33/335164333.db2.gz GRIIAFBHSADHEY-IINYFYTJSA-N 1 2 286.310 2.108 20 30 CEEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547990989 334133995 /nfs/dbraw/zinc/13/39/95/334133995.db2.gz SOTIJXJVICZNOS-CQSZACIVSA-N 1 2 295.346 2.086 20 30 CEEDLO CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000576263587 335179296 /nfs/dbraw/zinc/17/92/96/335179296.db2.gz FZEIHMIHZREBEA-HOCLYGCPSA-N 1 2 273.380 2.140 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000247451522 334281729 /nfs/dbraw/zinc/28/17/29/334281729.db2.gz JGVODVBZPIBQDY-WCQYABFASA-N 1 2 282.771 2.314 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000247451522 334281730 /nfs/dbraw/zinc/28/17/30/334281730.db2.gz JGVODVBZPIBQDY-WCQYABFASA-N 1 2 282.771 2.314 20 30 CEEDLO CC#CCCCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000552122082 334291576 /nfs/dbraw/zinc/29/15/76/334291576.db2.gz IAANVQUIQDYKPX-UHFFFAOYSA-N 1 2 286.366 2.273 20 30 CEEDLO CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995845 334782881 /nfs/dbraw/zinc/78/28/81/334782881.db2.gz WWXWGDWFBVFYIV-IPYPFGDCSA-N 1 2 265.401 2.163 20 30 CEEDLO CC(C)(C)n1cc(C[NH+]2CCC(CC#N)CC2)nn1 ZINC000569301769 334865960 /nfs/dbraw/zinc/86/59/60/334865960.db2.gz DYOWQIWOEUIXNM-UHFFFAOYSA-N 1 2 261.373 2.159 20 30 CEEDLO Cc1ccsc1CCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572768758 334876736 /nfs/dbraw/zinc/87/67/36/334876736.db2.gz GTJDCONORKPSRA-OAHLLOKOSA-N 1 2 293.436 2.339 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccccc1OC ZINC000573104880 334908546 /nfs/dbraw/zinc/90/85/46/334908546.db2.gz GZVLCWXHADPSSW-CHWSQXEVSA-N 1 2 289.379 2.154 20 30 CEEDLO C=CCOc1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000580695007 335334609 /nfs/dbraw/zinc/33/46/09/335334609.db2.gz GDDAXEZWZGUQES-UHFFFAOYSA-N 1 2 297.358 2.074 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000577290340 335336012 /nfs/dbraw/zinc/33/60/12/335336012.db2.gz KSGCVKCKTRILOP-VIFPVBQESA-N 1 2 285.800 2.300 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000577350272 335341307 /nfs/dbraw/zinc/34/13/07/335341307.db2.gz CXKNOXPKUFUKKE-MNOVXSKESA-N 1 2 251.330 2.016 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1cccs1 ZINC000577443984 335352834 /nfs/dbraw/zinc/35/28/34/335352834.db2.gz XDCOCBACXUNUOS-CQSZACIVSA-N 1 2 279.409 2.031 20 30 CEEDLO N#CCC[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000579584311 335812902 /nfs/dbraw/zinc/81/29/02/335812902.db2.gz VWHRQUAVUBYQSF-LLVKDONJSA-N 1 2 297.280 2.314 20 30 CEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329236041 534385323 /nfs/dbraw/zinc/38/53/23/534385323.db2.gz JEXHWNMZJQOFMJ-HNNXBMFYSA-N 1 2 288.351 2.296 20 30 CEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184146532 518922854 /nfs/dbraw/zinc/92/28/54/518922854.db2.gz KGWCIASTBNQPDQ-KBPBESRZSA-N 1 2 294.395 2.274 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N(C)[C@H](C)CC#N)cc2n1C ZINC000336609047 534649548 /nfs/dbraw/zinc/64/95/48/534649548.db2.gz IZSOSXGRKHGMDL-SNVBAGLBSA-N 1 2 270.336 2.256 20 30 CEEDLO Cn1c(C[NH2+][C@@H]2CCC[C@@H]2C#N)nnc1-c1ccccc1 ZINC000332212009 534692108 /nfs/dbraw/zinc/69/21/08/534692108.db2.gz VEBCMLFIFWUQHD-ZIAGYGMSSA-N 1 2 281.363 2.264 20 30 CEEDLO COc1ccc(C#N)cc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000156708993 523521553 /nfs/dbraw/zinc/52/15/53/523521553.db2.gz XEDMBQDLKGCSPC-UHFFFAOYSA-N 1 2 297.362 2.065 20 30 CEEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(Cl)ccc1C#N ZINC000062785410 524359625 /nfs/dbraw/zinc/35/96/25/524359625.db2.gz NUJIQLBEAKLXKU-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(CO)o1 ZINC000352814515 526509944 /nfs/dbraw/zinc/50/99/44/526509944.db2.gz IGTPDRRTDDXURY-UHFFFAOYSA-N 1 2 294.395 2.065 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(CO)o1 ZINC000352814515 526509952 /nfs/dbraw/zinc/50/99/52/526509952.db2.gz IGTPDRRTDDXURY-UHFFFAOYSA-N 1 2 294.395 2.065 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356117103 526522915 /nfs/dbraw/zinc/52/29/15/526522915.db2.gz VXKRJWRGRDXXOY-JTQLQIEISA-N 1 2 293.392 2.178 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356117103 526522918 /nfs/dbraw/zinc/52/29/18/526522918.db2.gz VXKRJWRGRDXXOY-JTQLQIEISA-N 1 2 293.392 2.178 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)C(F)(F)F ZINC000352804707 526558918 /nfs/dbraw/zinc/55/89/18/526558918.db2.gz QFTHDCYZIDYNNW-GFCCVEGCSA-N 1 2 293.285 2.073 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)C(F)(F)F ZINC000352804707 526558921 /nfs/dbraw/zinc/55/89/21/526558921.db2.gz QFTHDCYZIDYNNW-GFCCVEGCSA-N 1 2 293.285 2.073 20 30 CEEDLO C=CCC1(C(=O)N2CCn3c[nH+]cc3C2)CCCC1 ZINC000335041577 527048547 /nfs/dbraw/zinc/04/85/47/527048547.db2.gz VHZDAPCWQTXVAV-UHFFFAOYSA-N 1 2 259.353 2.362 20 30 CEEDLO CC(C)(C#N)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000355875938 527485337 /nfs/dbraw/zinc/48/53/37/527485337.db2.gz DPVCCVBTMNYJSE-UHFFFAOYSA-N 1 2 282.347 2.211 20 30 CEEDLO CC1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330187639 527900796 /nfs/dbraw/zinc/90/07/96/527900796.db2.gz KOCXQEFUDIVVSH-GFCCVEGCSA-N 1 2 276.384 2.282 20 30 CEEDLO CC1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330187639 527900799 /nfs/dbraw/zinc/90/07/99/527900799.db2.gz KOCXQEFUDIVVSH-GFCCVEGCSA-N 1 2 276.384 2.282 20 30 CEEDLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000330278158 529245262 /nfs/dbraw/zinc/24/52/62/529245262.db2.gz PGTZAGMHKCLIDE-NSHDSACASA-N 1 2 250.346 2.109 20 30 CEEDLO CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000330278158 529245264 /nfs/dbraw/zinc/24/52/64/529245264.db2.gz PGTZAGMHKCLIDE-NSHDSACASA-N 1 2 250.346 2.109 20 30 CEEDLO C#Cc1cccc(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000726435900 574426372 /nfs/dbraw/zinc/42/63/72/574426372.db2.gz YWMGVNPPDBZSSR-UHFFFAOYSA-N 1 2 284.388 2.241 20 30 CEEDLO CC(=[NH+]Nc1ccc(F)cn1)c1csc(N)n1 ZINC000731317821 574593884 /nfs/dbraw/zinc/59/38/84/574593884.db2.gz DTRFHYBKLLWWNL-UHFFFAOYSA-N 1 2 251.290 2.096 20 30 CEEDLO CCCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000734001902 574696772 /nfs/dbraw/zinc/69/67/72/574696772.db2.gz WLDBGHJUDSYQHC-INIZCTEOSA-N 1 2 257.381 2.496 20 30 CEEDLO CCCC[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000734001902 574696775 /nfs/dbraw/zinc/69/67/75/574696775.db2.gz WLDBGHJUDSYQHC-INIZCTEOSA-N 1 2 257.381 2.496 20 30 CEEDLO Cn1cc[nH+]c1CN=Nc1cc(F)c(F)cc1F ZINC000734301508 574706938 /nfs/dbraw/zinc/70/69/38/574706938.db2.gz BJRIUWHNJSHMDT-UHFFFAOYSA-N 1 2 254.215 2.283 20 30 CEEDLO Cc1cc(N=NCc2c[nH+]c3ccccn23)nc(C)n1 ZINC000755649416 574738587 /nfs/dbraw/zinc/73/85/87/574738587.db2.gz WZEVPNKRLPMEHH-UHFFFAOYSA-N 1 2 266.308 2.187 20 30 CEEDLO C=CCCC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000735490117 574759889 /nfs/dbraw/zinc/75/98/89/574759889.db2.gz FVPOBXCARABZOQ-LBPRGKRZSA-N 1 2 263.341 2.287 20 30 CEEDLO C=CCCC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000735490117 574759892 /nfs/dbraw/zinc/75/98/92/574759892.db2.gz FVPOBXCARABZOQ-LBPRGKRZSA-N 1 2 263.341 2.287 20 30 CEEDLO NC(=[NH+]OCc1ccon1)c1ccc(Cl)cc1 ZINC000740872481 574970467 /nfs/dbraw/zinc/97/04/67/574970467.db2.gz BZBMVBAPMUBKDT-UHFFFAOYSA-N 1 2 251.673 2.165 20 30 CEEDLO C=C(Cl)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741387155 574984141 /nfs/dbraw/zinc/98/41/41/574984141.db2.gz OKVZYYBLCSFMNK-CQSZACIVSA-N 1 2 295.766 2.183 20 30 CEEDLO C=C(Cl)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741387155 574984142 /nfs/dbraw/zinc/98/41/42/574984142.db2.gz OKVZYYBLCSFMNK-CQSZACIVSA-N 1 2 295.766 2.183 20 30 CEEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000743853172 575110912 /nfs/dbraw/zinc/11/09/12/575110912.db2.gz WKCKYTVKPIOGPF-UHFFFAOYSA-N 1 2 296.414 2.166 20 30 CEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000743853172 575110913 /nfs/dbraw/zinc/11/09/13/575110913.db2.gz WKCKYTVKPIOGPF-UHFFFAOYSA-N 1 2 296.414 2.166 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cccc([N+](=O)[O-])c1C ZINC000743854897 575111483 /nfs/dbraw/zinc/11/14/83/575111483.db2.gz REKRUCRESOTVAM-UHFFFAOYSA-N 1 2 256.305 2.362 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cccc([N+](=O)[O-])c1C ZINC000743854897 575111484 /nfs/dbraw/zinc/11/14/84/575111484.db2.gz REKRUCRESOTVAM-UHFFFAOYSA-N 1 2 256.305 2.362 20 30 CEEDLO CC[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CCO1 ZINC000744129222 575114378 /nfs/dbraw/zinc/11/43/78/575114378.db2.gz HPNWAFKERGGOAE-MRXNPFEDSA-N 1 2 296.374 2.490 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CCO1 ZINC000744129222 575114380 /nfs/dbraw/zinc/11/43/80/575114380.db2.gz HPNWAFKERGGOAE-MRXNPFEDSA-N 1 2 296.374 2.490 20 30 CEEDLO C#CC[N@@H+](CC)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000749159572 575207452 /nfs/dbraw/zinc/20/74/52/575207452.db2.gz GFXBMPNXCAAZAC-UHFFFAOYSA-N 1 2 276.771 2.385 20 30 CEEDLO C#CC[N@H+](CC)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000749159572 575207454 /nfs/dbraw/zinc/20/74/54/575207454.db2.gz GFXBMPNXCAAZAC-UHFFFAOYSA-N 1 2 276.771 2.385 20 30 CEEDLO CCCCCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750747574 575273532 /nfs/dbraw/zinc/27/35/32/575273532.db2.gz SUYDAQSYCOYIDH-AWEZNQCLSA-N 1 2 270.417 2.184 20 30 CEEDLO CCCCCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750747574 575273533 /nfs/dbraw/zinc/27/35/33/575273533.db2.gz SUYDAQSYCOYIDH-AWEZNQCLSA-N 1 2 270.417 2.184 20 30 CEEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)CCCCCC ZINC000752076771 575304832 /nfs/dbraw/zinc/30/48/32/575304832.db2.gz PRWZGXHJACPAJN-OAHLLOKOSA-N 1 2 262.397 2.030 20 30 CEEDLO COc1cccc(O)c1/C=N\[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753637931 575333292 /nfs/dbraw/zinc/33/32/92/575333292.db2.gz GKKBFVNJHIPTJM-JFENUBAZSA-N 1 2 297.358 2.494 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(C)c2)C1 ZINC000949617909 612991989 /nfs/dbraw/zinc/99/19/89/612991989.db2.gz BMLOVBPMLVIZEK-UHFFFAOYSA-N 1 2 270.376 2.165 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3occc3s2)CC1 ZINC000981944039 613157886 /nfs/dbraw/zinc/15/78/86/613157886.db2.gz AQYOGMKBMBJYMM-UHFFFAOYSA-N 1 2 288.372 2.275 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3occc3s2)CC1 ZINC000981944039 613157889 /nfs/dbraw/zinc/15/78/89/613157889.db2.gz AQYOGMKBMBJYMM-UHFFFAOYSA-N 1 2 288.372 2.275 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC000950490292 613294596 /nfs/dbraw/zinc/29/45/96/613294596.db2.gz XIWWMONHHPGGRI-HZPDHXFCSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC000950483875 613296052 /nfs/dbraw/zinc/29/60/52/613296052.db2.gz BONIGHKVBGCJBT-UHFFFAOYSA-N 1 2 296.802 2.094 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000951556872 613296407 /nfs/dbraw/zinc/29/64/07/613296407.db2.gz IDQXGMOEEHMXTK-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncc(F)cc2F)C1 ZINC000950635673 613298054 /nfs/dbraw/zinc/29/80/54/613298054.db2.gz SVJDNALALBNMFY-UHFFFAOYSA-N 1 2 295.333 2.082 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccnc2C(F)F)CC1 ZINC000949224377 613321234 /nfs/dbraw/zinc/32/12/34/613321234.db2.gz XXAJJSYBSCMSOF-UHFFFAOYSA-N 1 2 295.333 2.353 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC2(C)C)C1 ZINC000969512334 613371596 /nfs/dbraw/zinc/37/15/96/613371596.db2.gz XDEIMJYGQINFPQ-PWSUYJOCSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C)nc2)C1 ZINC000969301439 613372454 /nfs/dbraw/zinc/37/24/54/613372454.db2.gz GZMZYBSEJLKIEU-LBPRGKRZSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccnc2)C1 ZINC000964550643 613377643 /nfs/dbraw/zinc/37/76/43/613377643.db2.gz QQMFBIUENARBHJ-FZMZJTMJSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccnc2)C1 ZINC000964550643 613377644 /nfs/dbraw/zinc/37/76/44/613377644.db2.gz QQMFBIUENARBHJ-FZMZJTMJSA-N 1 2 293.798 2.274 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCc2cccc(C)c2)CC1 ZINC000949522908 613562037 /nfs/dbraw/zinc/56/20/37/613562037.db2.gz BVUIGRKJLYVUET-UHFFFAOYSA-N 1 2 284.403 2.095 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC000951214320 613656857 /nfs/dbraw/zinc/65/68/57/613656857.db2.gz JTMOIMGMRHIZHV-UHFFFAOYSA-N 1 2 275.396 2.470 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000957588836 613708325 /nfs/dbraw/zinc/70/83/25/613708325.db2.gz XEFKWSOZWMUOGM-UHFFFAOYSA-N 1 2 294.782 2.049 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC000950444708 613712813 /nfs/dbraw/zinc/71/28/13/613712813.db2.gz QKAWQYZINYENLR-LBPRGKRZSA-N 1 2 272.339 2.142 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000949941395 613716369 /nfs/dbraw/zinc/71/63/69/613716369.db2.gz ZKCKFLNZWCFZIM-UHFFFAOYSA-N 1 2 269.348 2.112 20 30 CEEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](CC=C)CC1 ZINC000948918886 613884666 /nfs/dbraw/zinc/88/46/66/613884666.db2.gz HZYHTZOBSYMATL-UHFFFAOYSA-N 1 2 286.375 2.195 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001024340268 625519219 /nfs/dbraw/zinc/51/92/19/625519219.db2.gz YCQJRFJZEBXNLR-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001024340268 625519224 /nfs/dbraw/zinc/51/92/24/625519224.db2.gz YCQJRFJZEBXNLR-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001024327664 625519986 /nfs/dbraw/zinc/51/99/86/625519986.db2.gz KVBQFRAKCDXGCW-LBPRGKRZSA-N 1 2 281.787 2.352 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001024327664 625519990 /nfs/dbraw/zinc/51/99/90/625519990.db2.gz KVBQFRAKCDXGCW-LBPRGKRZSA-N 1 2 281.787 2.352 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001024429452 625553717 /nfs/dbraw/zinc/55/37/17/625553717.db2.gz HFBPQAJUHAVKSH-GHMZBOCLSA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001024429452 625553719 /nfs/dbraw/zinc/55/37/19/625553719.db2.gz HFBPQAJUHAVKSH-GHMZBOCLSA-N 1 2 292.757 2.365 20 30 CEEDLO CCn1c[nH+]c2c1CCN(Cc1cccc(C#N)c1F)C2 ZINC000933256450 623563279 /nfs/dbraw/zinc/56/32/79/623563279.db2.gz DWXWYZWJTOLJCV-UHFFFAOYSA-N 1 2 284.338 2.472 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776264 624002306 /nfs/dbraw/zinc/00/23/06/624002306.db2.gz WPBCOCIYXCBODH-GFCCVEGCSA-N 1 2 291.420 2.453 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776264 624002312 /nfs/dbraw/zinc/00/23/12/624002312.db2.gz WPBCOCIYXCBODH-GFCCVEGCSA-N 1 2 291.420 2.453 20 30 CEEDLO C=CC(C)(C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000891975087 624219889 /nfs/dbraw/zinc/21/98/89/624219889.db2.gz WHLBRDBUIYDKJZ-UHFFFAOYSA-N 1 2 262.357 2.147 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000934469464 624515937 /nfs/dbraw/zinc/51/59/37/624515937.db2.gz CSGKWJZPWUGVFL-CQSZACIVSA-N 1 2 254.337 2.418 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000934469464 624515940 /nfs/dbraw/zinc/51/59/40/624515940.db2.gz CSGKWJZPWUGVFL-CQSZACIVSA-N 1 2 254.337 2.418 20 30 CEEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cnccn3)n2c1 ZINC000255602281 625198374 /nfs/dbraw/zinc/19/83/74/625198374.db2.gz PAOADDOEMWMBEF-ARJAWSKDSA-N 1 2 264.288 2.329 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)CSC ZINC000820664627 634495049 /nfs/dbraw/zinc/49/50/49/634495049.db2.gz PGSXLGRBVRVAGK-HNNXBMFYSA-N 1 2 294.420 2.400 20 30 CEEDLO CC[C@@H]([NH2+]Cc1nonc1C)c1cccc(C#N)c1O ZINC000926838325 627725206 /nfs/dbraw/zinc/72/52/06/627725206.db2.gz CJDUQHPHUHVVNZ-GFCCVEGCSA-N 1 2 272.308 2.196 20 30 CEEDLO CC(C)c1nc(CO[NH+]=C(N)c2ccccc2)no1 ZINC000171729204 627735674 /nfs/dbraw/zinc/73/56/74/627735674.db2.gz QKZKMEMCOYBXAP-UHFFFAOYSA-N 1 2 260.297 2.030 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000776385834 628453921 /nfs/dbraw/zinc/45/39/21/628453921.db2.gz HRZWXXBWQMBKAE-UONOGXRCSA-N 1 2 264.369 2.486 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000776385834 628453923 /nfs/dbraw/zinc/45/39/23/628453923.db2.gz HRZWXXBWQMBKAE-UONOGXRCSA-N 1 2 264.369 2.486 20 30 CEEDLO C=CC[C@H](CO)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925696170 628528727 /nfs/dbraw/zinc/52/87/27/628528727.db2.gz JHPZJCAWYGRXLY-SWLSCSKDSA-N 1 2 274.364 2.489 20 30 CEEDLO Cn1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1C1CC1 ZINC000893525734 628677531 /nfs/dbraw/zinc/67/75/31/628677531.db2.gz HDDZMVHTEPSZJJ-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)c1C1CC1 ZINC000893525734 628677536 /nfs/dbraw/zinc/67/75/36/628677536.db2.gz HDDZMVHTEPSZJJ-OAHLLOKOSA-N 1 2 258.369 2.423 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCC(=O)OC ZINC000893607058 628786326 /nfs/dbraw/zinc/78/63/26/628786326.db2.gz TZLORZHYHQKGJL-CYBMUJFWSA-N 1 2 276.336 2.020 20 30 CEEDLO C[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980657294 628796760 /nfs/dbraw/zinc/79/67/60/628796760.db2.gz QLTAWPUMTJGCDK-RHSMWYFYSA-N 1 2 297.402 2.249 20 30 CEEDLO C[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980657294 628796762 /nfs/dbraw/zinc/79/67/62/628796762.db2.gz QLTAWPUMTJGCDK-RHSMWYFYSA-N 1 2 297.402 2.249 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](CC)C(N)=O ZINC000298063310 629246778 /nfs/dbraw/zinc/24/67/78/629246778.db2.gz IXHQAOGQJYRSMN-CYBMUJFWSA-N 1 2 250.317 2.078 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](CC)C(N)=O ZINC000298063310 629246780 /nfs/dbraw/zinc/24/67/80/629246780.db2.gz IXHQAOGQJYRSMN-CYBMUJFWSA-N 1 2 250.317 2.078 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000795752276 629666391 /nfs/dbraw/zinc/66/63/91/629666391.db2.gz JCAFIIQLNQQGLF-INIZCTEOSA-N 1 2 282.347 2.428 20 30 CEEDLO N#CCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000895066594 629842639 /nfs/dbraw/zinc/84/26/39/629842639.db2.gz VIYXWDGNWYJHTQ-UHFFFAOYSA-N 1 2 297.402 2.123 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1OCCO1 ZINC000796455843 629909074 /nfs/dbraw/zinc/90/90/74/629909074.db2.gz ZVXMBGSOYIBOJB-UHFFFAOYSA-N 1 2 279.384 2.215 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1OCCO1 ZINC000796455843 629909075 /nfs/dbraw/zinc/90/90/75/629909075.db2.gz ZVXMBGSOYIBOJB-UHFFFAOYSA-N 1 2 279.384 2.215 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(F)(F)CC1 ZINC000796542576 629927428 /nfs/dbraw/zinc/92/74/28/629927428.db2.gz YJXPTYFXDNNAJF-AAEUAGOBSA-N 1 2 287.354 2.160 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(F)(F)CC1 ZINC000796551145 629930029 /nfs/dbraw/zinc/93/00/29/629930029.db2.gz OMHHXYJDEAICOB-LBPRGKRZSA-N 1 2 299.365 2.449 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc(C)cn1 ZINC000796633514 629949064 /nfs/dbraw/zinc/94/90/64/629949064.db2.gz VUORXXPOVRVXLP-UHFFFAOYSA-N 1 2 251.333 2.420 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(C)cn1 ZINC000796633514 629949070 /nfs/dbraw/zinc/94/90/70/629949070.db2.gz VUORXXPOVRVXLP-UHFFFAOYSA-N 1 2 251.333 2.420 20 30 CEEDLO Cc1cc(C#N)nc(NCc2nc(C[NH+](C)C)cs2)c1 ZINC000895478984 630214294 /nfs/dbraw/zinc/21/42/94/630214294.db2.gz KPFZDAJWMHULHT-UHFFFAOYSA-N 1 2 287.392 2.392 20 30 CEEDLO Cc1ccc(C#N)nc1NCc1nc(C[NH+](C)C)cs1 ZINC000895484249 630220413 /nfs/dbraw/zinc/22/04/13/630220413.db2.gz ISGCWGQGVKXJQP-UHFFFAOYSA-N 1 2 287.392 2.392 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1CC(n2cccn2)C1)C(=O)OCC ZINC000895592061 630268267 /nfs/dbraw/zinc/26/82/67/630268267.db2.gz LAOQYEDHMPHWTN-JXQTWKCFSA-N 1 2 277.368 2.074 20 30 CEEDLO C#CC[NH+]1CCC(Nc2nc(C(C)=O)c(C)s2)CC1 ZINC000895810816 630351576 /nfs/dbraw/zinc/35/15/76/630351576.db2.gz CTANJVVLBFDOCY-UHFFFAOYSA-N 1 2 277.393 2.164 20 30 CEEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1F ZINC000895804898 630355245 /nfs/dbraw/zinc/35/52/45/630355245.db2.gz NSRUBDAOGVWCSU-CYBMUJFWSA-N 1 2 277.343 2.220 20 30 CEEDLO Cc1nc(N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc[nH+]1 ZINC000895845640 630365487 /nfs/dbraw/zinc/36/54/87/630365487.db2.gz PTGYXQKDPMVSEF-CQSZACIVSA-N 1 2 294.362 2.133 20 30 CEEDLO C[C@H]1C[NH+](Cc2cc(O)cc(Cl)c2)C[C@H](C)N1CC#N ZINC000895970818 630423204 /nfs/dbraw/zinc/42/32/04/630423204.db2.gz GSTBEMIKDZHRIN-RYUDHWBXSA-N 1 2 293.798 2.464 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000896505963 630585038 /nfs/dbraw/zinc/58/50/38/630585038.db2.gz QYGUTWFVIPZNPR-AWEZNQCLSA-N 1 2 283.375 2.314 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000896505963 630585041 /nfs/dbraw/zinc/58/50/41/630585041.db2.gz QYGUTWFVIPZNPR-AWEZNQCLSA-N 1 2 283.375 2.314 20 30 CEEDLO C=C1CC(c2noc(C[N@@H+](C)[C@H]3CCSC3)n2)C1 ZINC000896884679 630700074 /nfs/dbraw/zinc/70/00/74/630700074.db2.gz UUSJZOIFLUDCTQ-NSHDSACASA-N 1 2 265.382 2.441 20 30 CEEDLO C=C1CC(c2noc(C[N@H+](C)[C@H]3CCSC3)n2)C1 ZINC000896884679 630700075 /nfs/dbraw/zinc/70/00/75/630700075.db2.gz UUSJZOIFLUDCTQ-NSHDSACASA-N 1 2 265.382 2.441 20 30 CEEDLO Cc1[nH]c(CNC(=O)c2ccc(CC#N)cc2)[nH+]c1C ZINC000896915847 630801062 /nfs/dbraw/zinc/80/10/62/630801062.db2.gz MEWVWQOBGLXWSA-UHFFFAOYSA-N 1 2 268.320 2.023 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)N2CCc3ccc(C#N)cc32)c[nH+]1 ZINC000897232542 631002607 /nfs/dbraw/zinc/00/26/07/631002607.db2.gz QOAZNCQMTZOSGA-UHFFFAOYSA-N 1 2 294.358 2.388 20 30 CEEDLO CCCCCCCS(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000799757994 631075317 /nfs/dbraw/zinc/07/53/17/631075317.db2.gz SDGNTTVNBNXDIN-UHFFFAOYSA-N 1 2 290.473 2.313 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802231707 631406825 /nfs/dbraw/zinc/40/68/25/631406825.db2.gz LNTMLECJNFKPEE-ZDUSSCGKSA-N 1 2 276.311 2.067 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802231707 631406827 /nfs/dbraw/zinc/40/68/27/631406827.db2.gz LNTMLECJNFKPEE-ZDUSSCGKSA-N 1 2 276.311 2.067 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2cc(Cl)ccc21 ZINC000804346752 631667389 /nfs/dbraw/zinc/66/73/89/631667389.db2.gz QXPBLAGMGGDTDS-HNNXBMFYSA-N 1 2 288.778 2.327 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2cc(Cl)ccc21 ZINC000804346752 631667393 /nfs/dbraw/zinc/66/73/93/631667393.db2.gz QXPBLAGMGGDTDS-HNNXBMFYSA-N 1 2 288.778 2.327 20 30 CEEDLO C#CCSCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000804492424 631693525 /nfs/dbraw/zinc/69/35/25/631693525.db2.gz WBRQDOPYCRLCGQ-UHFFFAOYSA-N 1 2 279.413 2.049 20 30 CEEDLO C#CCSCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000804492424 631693529 /nfs/dbraw/zinc/69/35/29/631693529.db2.gz WBRQDOPYCRLCGQ-UHFFFAOYSA-N 1 2 279.413 2.049 20 30 CEEDLO C#CCSCC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000897566496 631789845 /nfs/dbraw/zinc/78/98/45/631789845.db2.gz PZWJQSGTEJBXRO-UHFFFAOYSA-N 1 2 293.436 2.051 20 30 CEEDLO C#C[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000807274497 631826825 /nfs/dbraw/zinc/82/68/25/631826825.db2.gz SNHBNOOJWHXLOD-GFCCVEGCSA-N 1 2 278.783 2.300 20 30 CEEDLO C#C[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000807274497 631826830 /nfs/dbraw/zinc/82/68/30/631826830.db2.gz SNHBNOOJWHXLOD-GFCCVEGCSA-N 1 2 278.783 2.300 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000809683056 632126856 /nfs/dbraw/zinc/12/68/56/632126856.db2.gz NKVHCKPUBPLART-SECBINFHSA-N 1 2 278.718 2.171 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nnnn1C1CC1 ZINC000810238814 632197205 /nfs/dbraw/zinc/19/72/05/632197205.db2.gz NSLHHVWPIUSMLS-MEBBXXQBSA-N 1 2 294.362 2.218 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989625190 632213904 /nfs/dbraw/zinc/21/39/04/632213904.db2.gz FSUISKDSKRZYFR-UHFFFAOYSA-N 1 2 276.405 2.146 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989625190 632213911 /nfs/dbraw/zinc/21/39/11/632213911.db2.gz FSUISKDSKRZYFR-UHFFFAOYSA-N 1 2 276.405 2.146 20 30 CEEDLO CCOc1ccc(O)c(/C=N\Cc2c[nH+]cn2C)c1 ZINC000811624835 632410251 /nfs/dbraw/zinc/41/02/51/632410251.db2.gz SUIOBWZIVBKFBW-CHHVJCJISA-N 1 2 259.309 2.144 20 30 CEEDLO CCC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000927022437 632420416 /nfs/dbraw/zinc/42/04/16/632420416.db2.gz RIDQQEGTYOIBPQ-DGCLKSJQSA-N 1 2 262.353 2.466 20 30 CEEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCCC#N ZINC000813235844 632654157 /nfs/dbraw/zinc/65/41/57/632654157.db2.gz BNCHWQPOGASZMI-LBPRGKRZSA-N 1 2 262.357 2.108 20 30 CEEDLO C#CCOc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000814179259 632801415 /nfs/dbraw/zinc/80/14/15/632801415.db2.gz BCQRFOHCABCGAJ-OAHLLOKOSA-N 1 2 287.359 2.225 20 30 CEEDLO C#CCOc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000814179259 632801418 /nfs/dbraw/zinc/80/14/18/632801418.db2.gz BCQRFOHCABCGAJ-OAHLLOKOSA-N 1 2 287.359 2.225 20 30 CEEDLO Cn1cc(C=[NH+]Nc2cccc3cnccc32)c(=O)[nH]1 ZINC000814220597 632813854 /nfs/dbraw/zinc/81/38/54/632813854.db2.gz CFGUJDVIFKZUDK-UHFFFAOYSA-N 1 2 267.292 2.120 20 30 CEEDLO Cn1c[nH+]cc1/C=C\C(=O)c1cnn(C2CCC2)c1 ZINC000899401588 632827598 /nfs/dbraw/zinc/82/75/98/632827598.db2.gz WTTHPTLWVCDIHB-WAYWQWQTSA-N 1 2 256.309 2.238 20 30 CEEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]NCC(F)F)C1 ZINC000814853250 632908620 /nfs/dbraw/zinc/90/86/20/632908620.db2.gz IFSXXUHPEARXBU-UHFFFAOYSA-N 1 2 274.340 2.257 20 30 CEEDLO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902869385 634863966 /nfs/dbraw/zinc/86/39/66/634863966.db2.gz VHZHAWLLEHPIKF-LRDDRELGSA-N 1 2 297.358 2.346 20 30 CEEDLO C=CCN(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816913695 633485861 /nfs/dbraw/zinc/48/58/61/633485861.db2.gz QKHHULAWAKIFNY-UHFFFAOYSA-N 1 2 255.321 2.167 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(F)c(O)c1 ZINC000901261908 634025853 /nfs/dbraw/zinc/02/58/53/634025853.db2.gz QSQIWLXBQMCBNR-UHFFFAOYSA-N 1 2 276.315 2.132 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)OC(C)(C)C)C(=O)OC 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C#CCC[N@H+](CCOC)Cc1c(Cl)n(C)nc1CC ZINC000827822986 636433902 /nfs/dbraw/zinc/43/39/02/636433902.db2.gz IXYHXYYBOXJMLY-UHFFFAOYSA-N 1 2 283.803 2.108 20 30 CEEDLO C=CC[C@H]([NH2+]CC1(OC(C)C)CCC1)C(=O)OC ZINC000905777612 636435953 /nfs/dbraw/zinc/43/59/53/636435953.db2.gz MCQMYIZHZOSJCN-LBPRGKRZSA-N 1 2 255.358 2.041 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1cn(-c2ccccc2C)nn1 ZINC000827826507 636436110 /nfs/dbraw/zinc/43/61/10/636436110.db2.gz HQDNPZHJXREQLY-UHFFFAOYSA-N 1 2 298.390 2.047 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1cn(-c2ccccc2C)nn1 ZINC000827826507 636436112 /nfs/dbraw/zinc/43/61/12/636436112.db2.gz HQDNPZHJXREQLY-UHFFFAOYSA-N 1 2 298.390 2.047 20 30 CEEDLO Cc1cc(C#N)cc(C)c1Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000905827105 636488855 /nfs/dbraw/zinc/48/88/55/636488855.db2.gz FZYSMFMBBWCYEY-UHFFFAOYSA-N 1 2 292.346 2.060 20 30 CEEDLO CN(CC(F)F)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000828075800 636501843 /nfs/dbraw/zinc/50/18/43/636501843.db2.gz KJPYTUIFMHWDGE-UHFFFAOYSA-N 1 2 294.349 2.115 20 30 CEEDLO 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CEEDLO C#CC[C@@H]1CCC[N@H+](Cc2nn(C)cc2Br)C1 ZINC000829815321 636937127 /nfs/dbraw/zinc/93/71/27/636937127.db2.gz JUSGPIAEYOAKPW-LLVKDONJSA-N 1 2 296.212 2.418 20 30 CEEDLO C=C1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000830990505 637210771 /nfs/dbraw/zinc/21/07/71/637210771.db2.gz BUXRTVZSTDWFIB-AWEZNQCLSA-N 1 2 273.380 2.308 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C#Cc2cccs2)C1 ZINC000831206942 637255411 /nfs/dbraw/zinc/25/54/11/637255411.db2.gz MRPSAXUWGQWACM-ZDUSSCGKSA-N 1 2 299.399 2.239 20 30 CEEDLO C=CCOc1ccc(CC(=O)OCc2c[nH+]cn2C)cc1 ZINC000835195520 638103612 /nfs/dbraw/zinc/10/36/12/638103612.db2.gz YLVRSXABGSVINE-UHFFFAOYSA-N 1 2 286.331 2.271 20 30 CEEDLO C#CCO[C@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000835345122 638203043 /nfs/dbraw/zinc/20/30/43/638203043.db2.gz CKJWGMZAIYKHHB-CQSZACIVSA-N 1 2 298.342 2.262 20 30 CEEDLO C=CCC1(NC(=O)/C=C(\C)C[NH+]2CCOCC2)CCCC1 ZINC000912521502 638719053 /nfs/dbraw/zinc/71/90/53/638719053.db2.gz IXFOAKCRBDWZAI-FYWRMAATSA-N 1 2 292.423 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C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)[C@@H]1C ZINC000993034722 640408828 /nfs/dbraw/zinc/40/88/28/640408828.db2.gz UEUCZSWMPSBXOW-NWDGAFQWSA-N 1 2 281.787 2.350 20 30 CEEDLO C(=NOC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000788032849 640487800 /nfs/dbraw/zinc/48/78/00/640487800.db2.gz FQKIHXDAQFFDJF-CQSZACIVSA-N 1 2 271.320 2.259 20 30 CEEDLO C(=NOC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000788032848 640488260 /nfs/dbraw/zinc/48/82/60/640488260.db2.gz FQKIHXDAQFFDJF-AWEZNQCLSA-N 1 2 271.320 2.259 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001015670738 640651021 /nfs/dbraw/zinc/65/10/21/640651021.db2.gz PHJQEEMIZSUSEN-JHJVBQTASA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001015670738 640651026 /nfs/dbraw/zinc/65/10/26/640651026.db2.gz PHJQEEMIZSUSEN-JHJVBQTASA-N 1 2 270.804 2.366 20 30 CEEDLO Cc1nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)oc1C ZINC000844369963 640695482 /nfs/dbraw/zinc/69/54/82/640695482.db2.gz 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NMGNLWZAWUIRFC-LBPRGKRZSA-N 1 2 276.384 2.189 20 30 CEEDLO Oc1c(F)cc(Cl)cc1C=NNc1cc[nH+]cc1 ZINC000779807425 647358043 /nfs/dbraw/zinc/35/80/43/647358043.db2.gz WUJVIUDNMBJBOC-UHFFFAOYSA-N 1 2 265.675 2.448 20 30 CEEDLO CCn1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)n1 ZINC000865601967 647380674 /nfs/dbraw/zinc/38/06/74/647380674.db2.gz JIEIZMQUNSKCHZ-UHFFFAOYSA-N 1 2 283.379 2.130 20 30 CEEDLO CN(C)c1cc[nH+]cc1CN=Nc1ncncc1Cl ZINC000780278512 647410546 /nfs/dbraw/zinc/41/05/46/647410546.db2.gz BVLZLZXWVRAMKV-UHFFFAOYSA-N 1 2 276.731 2.037 20 30 CEEDLO C#CCCCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000780951721 647484238 /nfs/dbraw/zinc/48/42/38/647484238.db2.gz ZMJCVUAGRSYJOG-CQSZACIVSA-N 1 2 261.369 2.219 20 30 CEEDLO C#CCCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947490 647664764 /nfs/dbraw/zinc/66/47/64/647664764.db2.gz ABLKITOHCFOAGI-UHFFFAOYSA-N 1 2 281.153 2.499 20 30 CEEDLO C#CCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949280 647665068 /nfs/dbraw/zinc/66/50/68/647665068.db2.gz SCCNISCQGRZYJI-UHFFFAOYSA-N 1 2 267.126 2.109 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1O ZINC000866259175 647700278 /nfs/dbraw/zinc/70/02/78/647700278.db2.gz JDYGFHKNCKZROD-DGCLKSJQSA-N 1 2 271.364 2.151 20 30 CEEDLO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866306120 647727649 /nfs/dbraw/zinc/72/76/49/647727649.db2.gz YKSFRMGNSNFESY-FDMGOTLNSA-N 1 2 280.393 2.072 20 30 CEEDLO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(C#N)c1O ZINC000866305945 647728334 /nfs/dbraw/zinc/72/83/34/647728334.db2.gz OCHUGCUFPSOGBV-ADWYPQAOSA-N 1 2 280.393 2.072 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc(C#N)c1O ZINC000866315619 647733178 /nfs/dbraw/zinc/73/31/78/647733178.db2.gz SQUUMNKQIATVPR-DGCLKSJQSA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H](CCCO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866363852 647756856 /nfs/dbraw/zinc/75/68/56/647756856.db2.gz MXTRSMMXQFVBEK-VXGBXAGGSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866363717 647756973 /nfs/dbraw/zinc/75/69/73/647756973.db2.gz MXTRSMMXQFVBEK-NEPJUHHUSA-N 1 2 262.353 2.323 20 30 CEEDLO C(=NNC1CCOCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000783855506 647771583 /nfs/dbraw/zinc/77/15/83/647771583.db2.gz MXOGMNLEXHBJGW-UHFFFAOYSA-N 1 2 276.365 2.036 20 30 CEEDLO N#CCc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1 ZINC000784403735 647847466 /nfs/dbraw/zinc/84/74/66/647847466.db2.gz JVFKDQIKUPMNMT-UHFFFAOYSA-N 1 2 269.304 2.196 20 30 CEEDLO COc1cc(N[NH+]=Cc2cnc(N)nc2)ccc1Cl ZINC000788467196 648190882 /nfs/dbraw/zinc/19/08/82/648190882.db2.gz FIRGNEAQYQTPQV-UHFFFAOYSA-N 1 2 277.715 2.167 20 30 CEEDLO CCN(C)c1ccc(C=[NH+]OCC(F)(F)F)cn1 ZINC000790172396 648389357 /nfs/dbraw/zinc/38/93/57/648389357.db2.gz OEEQYIATWOFMPI-UHFFFAOYSA-N 1 2 261.247 2.451 20 30 CEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(C#N)c(F)c1 ZINC000790301931 648404058 /nfs/dbraw/zinc/40/40/58/648404058.db2.gz KZACVBSADDADJC-UHFFFAOYSA-N 1 2 257.272 2.267 20 30 CEEDLO COC1(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCCCC1 ZINC000792165653 648618479 /nfs/dbraw/zinc/61/84/79/648618479.db2.gz KLJRDBKRUBOAHD-HNNXBMFYSA-N 1 2 277.412 2.008 20 30 CEEDLO COC1(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCCCC1 ZINC000792165653 648618480 /nfs/dbraw/zinc/61/84/80/648618480.db2.gz KLJRDBKRUBOAHD-HNNXBMFYSA-N 1 2 277.412 2.008 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCO[C@H]2C)ccc1F ZINC000871728334 649159167 /nfs/dbraw/zinc/15/91/67/649159167.db2.gz LEWMSPQFRJQLBY-JQWIXIFHSA-N 1 2 266.316 2.196 20 30 CEEDLO Cc1ccc(C=NNCCCn2cc[nH+]c2)c(F)c1 ZINC000872387002 649377055 /nfs/dbraw/zinc/37/70/55/649377055.db2.gz BUQREIHZWRUUGR-UHFFFAOYSA-N 1 2 260.316 2.344 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]NC[C@H]1CCCC1(F)F ZINC000872407472 649382554 /nfs/dbraw/zinc/38/25/54/649382554.db2.gz UMTDILFDQXTAQY-SECBINFHSA-N 1 2 295.337 2.124 20 30 CEEDLO Cc1cc(NN=Cc2cnc(C3CC3)s2)nc(N)[nH+]1 ZINC000872421041 649387523 /nfs/dbraw/zinc/38/75/23/649387523.db2.gz WIAJNTQKDIWGRG-UHFFFAOYSA-N 1 2 274.353 2.147 20 30 CEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)o1 ZINC000873362129 649650326 /nfs/dbraw/zinc/65/03/26/649650326.db2.gz UURFTIVUTGQCQF-ZDUSSCGKSA-N 1 2 262.309 2.069 20 30 CEEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)o1 ZINC000873362129 649650330 /nfs/dbraw/zinc/65/03/30/649650330.db2.gz UURFTIVUTGQCQF-ZDUSSCGKSA-N 1 2 262.309 2.069 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000874445860 649776180 /nfs/dbraw/zinc/77/61/80/649776180.db2.gz NNZIMNOKORYXEJ-ZIAGYGMSSA-N 1 2 281.315 2.164 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000874445860 649776181 /nfs/dbraw/zinc/77/61/81/649776181.db2.gz NNZIMNOKORYXEJ-ZIAGYGMSSA-N 1 2 281.315 2.164 20 30 CEEDLO CCc1cc2c(C[NH2+][C@H](C)CC#N)cc(=O)oc2cc1O ZINC000878818401 651192048 /nfs/dbraw/zinc/19/20/48/651192048.db2.gz QFPXRVFZLQTJGW-SNVBAGLBSA-N 1 2 286.331 2.453 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(OC)c2)C1 ZINC000878844436 651197034 /nfs/dbraw/zinc/19/70/34/651197034.db2.gz ZNYDOSDITFWTER-CZUORRHYSA-N 1 2 287.359 2.255 20 30 CEEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(OC)c2)C1 ZINC000878844436 651197036 /nfs/dbraw/zinc/19/70/36/651197036.db2.gz ZNYDOSDITFWTER-CZUORRHYSA-N 1 2 287.359 2.255 20 30 CEEDLO CC(C)[C@@H](O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878886974 651203752 /nfs/dbraw/zinc/20/37/52/651203752.db2.gz AEYOKOXUJJSFNH-DOTOQJQBSA-N 1 2 287.407 2.346 20 30 CEEDLO CC(C)[C@@H](O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878886974 651203754 /nfs/dbraw/zinc/20/37/54/651203754.db2.gz AEYOKOXUJJSFNH-DOTOQJQBSA-N 1 2 287.407 2.346 20 30 CEEDLO C#CC[N@@H+](Cc1cncc(Br)c1)C1CSC1 ZINC000878909386 651207598 /nfs/dbraw/zinc/20/75/98/651207598.db2.gz BFMDGEYMRCWOJF-UHFFFAOYSA-N 1 2 297.221 2.395 20 30 CEEDLO C#CC[N@H+](Cc1cncc(Br)c1)C1CSC1 ZINC000878909386 651207599 /nfs/dbraw/zinc/20/75/99/651207599.db2.gz BFMDGEYMRCWOJF-UHFFFAOYSA-N 1 2 297.221 2.395 20 30 CEEDLO C#CC[N@@H+](CC#Cc1ccc(F)cc1)C1CSC1 ZINC000878912039 651208610 /nfs/dbraw/zinc/20/86/10/651208610.db2.gz XEZIATJINJARTN-UHFFFAOYSA-N 1 2 259.349 2.228 20 30 CEEDLO C#CC[N@H+](CC#Cc1ccc(F)cc1)C1CSC1 ZINC000878912039 651208613 /nfs/dbraw/zinc/20/86/13/651208613.db2.gz XEZIATJINJARTN-UHFFFAOYSA-N 1 2 259.349 2.228 20 30 CEEDLO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC000879311768 651281910 /nfs/dbraw/zinc/28/19/10/651281910.db2.gz VBOAROBDEXDYQD-CFVMTHIKSA-N 1 2 289.335 2.252 20 30 CEEDLO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC000879311768 651281913 /nfs/dbraw/zinc/28/19/13/651281913.db2.gz VBOAROBDEXDYQD-CFVMTHIKSA-N 1 2 289.335 2.252 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629156 651333064 /nfs/dbraw/zinc/33/30/64/651333064.db2.gz IAEOPRDYVMXUAQ-INIZCTEOSA-N 1 2 277.364 2.271 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629156 651333065 /nfs/dbraw/zinc/33/30/65/651333065.db2.gz IAEOPRDYVMXUAQ-INIZCTEOSA-N 1 2 277.364 2.271 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000880480573 651447899 /nfs/dbraw/zinc/44/78/99/651447899.db2.gz XTSIPKIVLIDEDR-LBPRGKRZSA-N 1 2 294.420 2.201 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2scnc2Cl)CC1 ZINC000880483006 651448252 /nfs/dbraw/zinc/44/82/52/651448252.db2.gz YKIQTBPQJLCUCK-UHFFFAOYSA-N 1 2 270.785 2.147 20 30 CEEDLO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000883319010 652431482 /nfs/dbraw/zinc/43/14/82/652431482.db2.gz LSRRFERWWYPQQN-GMXVVIOVSA-N 1 2 260.337 2.339 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1CCC ZINC000884068354 652693649 /nfs/dbraw/zinc/69/36/49/652693649.db2.gz NHZAYFVOGOESCG-ZDUSSCGKSA-N 1 2 290.363 2.024 20 30 CEEDLO C=CC[NH+]1CCN([C@H](F)Oc2cccc(Cl)n2)CC1 ZINC001165031339 721866778 /nfs/dbraw/zinc/86/67/78/721866778.db2.gz DVXBVTIUVBAWPF-ZDUSSCGKSA-N 1 2 285.750 2.171 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)no1 ZINC001038444457 805712407 /nfs/dbraw/zinc/71/24/07/805712407.db2.gz CQVRRDGAOICHII-CQSZACIVSA-N 1 2 297.358 2.332 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)no1 ZINC001038444457 805712415 /nfs/dbraw/zinc/71/24/15/805712415.db2.gz CQVRRDGAOICHII-CQSZACIVSA-N 1 2 297.358 2.332 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1snc(OC)c1Br ZINC000690150524 806350088 /nfs/dbraw/zinc/35/00/88/806350088.db2.gz HWTJDRJYHNTYQH-LURJTMIESA-N 1 2 275.171 2.026 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@H]1C ZINC001088536770 806358177 /nfs/dbraw/zinc/35/81/77/806358177.db2.gz MHUPVUJTDSEYFL-YPMHNXCESA-N 1 2 282.771 2.154 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@H]1C ZINC001088536770 806358187 /nfs/dbraw/zinc/35/81/87/806358187.db2.gz MHUPVUJTDSEYFL-YPMHNXCESA-N 1 2 282.771 2.154 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1occc1-c1ccccc1 ZINC001038477255 806501418 /nfs/dbraw/zinc/50/14/18/806501418.db2.gz MHGSMORJNAHAKV-HNNXBMFYSA-N 1 2 294.354 2.384 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1-c1ccccc1 ZINC001038477255 806501426 /nfs/dbraw/zinc/50/14/26/806501426.db2.gz MHGSMORJNAHAKV-HNNXBMFYSA-N 1 2 294.354 2.384 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CCC ZINC001038502650 806844119 /nfs/dbraw/zinc/84/41/19/806844119.db2.gz RUOUJAUAZDDJMJ-INIZCTEOSA-N 1 2 284.403 2.467 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CCC ZINC001038502650 806844124 /nfs/dbraw/zinc/84/41/24/806844124.db2.gz RUOUJAUAZDDJMJ-INIZCTEOSA-N 1 2 284.403 2.467 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCC)CC2)C1 ZINC001105687490 806890827 /nfs/dbraw/zinc/89/08/27/806890827.db2.gz IXVOUDTZGNQSDU-UHFFFAOYSA-N 1 2 280.412 2.054 20 30 CEEDLO N#CCc1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1F ZINC001168369953 806921041 /nfs/dbraw/zinc/92/10/41/806921041.db2.gz QCAABJZBENPGFI-CYBMUJFWSA-N 1 2 289.354 2.167 20 30 CEEDLO N#CCc1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1F ZINC001168369953 806921043 /nfs/dbraw/zinc/92/10/43/806921043.db2.gz QCAABJZBENPGFI-CYBMUJFWSA-N 1 2 289.354 2.167 20 30 CEEDLO C=C[C@H](CC)CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107464105 808446583 /nfs/dbraw/zinc/44/65/83/808446583.db2.gz QEZYGAKYDUSZLP-LMVHVUTASA-N 1 2 288.395 2.472 20 30 CEEDLO C=C(C)C(=O)NCCCNc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001167665600 803281495 /nfs/dbraw/zinc/28/14/95/803281495.db2.gz OURTVOMUUGUIPG-UHFFFAOYSA-N 1 2 296.802 2.295 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COCCCC ZINC001267263433 803307135 /nfs/dbraw/zinc/30/71/35/803307135.db2.gz JROAZRUMKYTLKU-ZDUSSCGKSA-N 1 2 288.819 2.136 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COCCCC ZINC001267263433 803307141 /nfs/dbraw/zinc/30/71/41/803307141.db2.gz JROAZRUMKYTLKU-ZDUSSCGKSA-N 1 2 288.819 2.136 20 30 CEEDLO C=CCC[N@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001267266296 803312173 /nfs/dbraw/zinc/31/21/73/803312173.db2.gz CLKJVPGGUSQULK-UWVGGRQHSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001267266296 803312184 /nfs/dbraw/zinc/31/21/84/803312184.db2.gz CLKJVPGGUSQULK-UWVGGRQHSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001267266296 803312185 /nfs/dbraw/zinc/31/21/85/803312185.db2.gz CLKJVPGGUSQULK-UWVGGRQHSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001267266296 803312193 /nfs/dbraw/zinc/31/21/93/803312193.db2.gz CLKJVPGGUSQULK-UWVGGRQHSA-N 1 2 282.281 2.044 20 30 CEEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccnn3C)n2c1 ZINC000588595221 803406090 /nfs/dbraw/zinc/40/60/90/803406090.db2.gz WPCGJCFOTRJCGM-PLNGDYQASA-N 1 2 266.304 2.272 20 30 CEEDLO CC(=O)NCc1ccc(NCCc2ccc(C#N)cc2)[nH+]c1 ZINC001167678458 803454616 /nfs/dbraw/zinc/45/46/16/803454616.db2.gz JBLOIVOJWXKVOK-UHFFFAOYSA-N 1 2 294.358 2.244 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H](CC)CO1 ZINC000721622532 803537099 /nfs/dbraw/zinc/53/70/99/803537099.db2.gz JAQXBRLOPMPQLU-GJZGRUSLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@@H](CC)CO1 ZINC000721622532 803537101 /nfs/dbraw/zinc/53/71/01/803537101.db2.gz JAQXBRLOPMPQLU-GJZGRUSLSA-N 1 2 259.353 2.343 20 30 CEEDLO C=CCCC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001093516860 814946663 /nfs/dbraw/zinc/94/66/63/814946663.db2.gz SMJPBHFAPGPKIG-UHFFFAOYSA-N 1 2 274.368 2.157 20 30 CEEDLO C=C1CC(C)(C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001267692350 803660837 /nfs/dbraw/zinc/66/08/37/803660837.db2.gz CMDVOQUYMLWPCZ-UHFFFAOYSA-N 1 2 291.420 2.047 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001038344750 803666761 /nfs/dbraw/zinc/66/67/61/803666761.db2.gz KBSBHTCHXNCBGQ-LLPBQKLSSA-N 1 2 293.798 2.231 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001038344750 803666762 /nfs/dbraw/zinc/66/67/62/803666762.db2.gz KBSBHTCHXNCBGQ-LLPBQKLSSA-N 1 2 293.798 2.231 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001267786164 803732871 /nfs/dbraw/zinc/73/28/71/803732871.db2.gz JUCXIOLKCNWAMG-WDEREUQCSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001267786164 803732884 /nfs/dbraw/zinc/73/28/84/803732884.db2.gz JUCXIOLKCNWAMG-WDEREUQCSA-N 1 2 296.308 2.386 20 30 CEEDLO Cc1cc(N2CC[C@@](O)(CC#N)C2)[nH+]c2ccccc12 ZINC001118126819 814986764 /nfs/dbraw/zinc/98/67/64/814986764.db2.gz VSMYGVILQYRLST-INIZCTEOSA-N 1 2 267.332 2.398 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2C#N)CC[C@@H]1O ZINC001139687282 804462218 /nfs/dbraw/zinc/46/22/18/804462218.db2.gz NCVAVDHOQVCVJZ-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@@H]1O ZINC001139687282 804462220 /nfs/dbraw/zinc/46/22/20/804462220.db2.gz NCVAVDHOQVCVJZ-YGRLFVJLSA-N 1 2 264.756 2.414 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 ZINC001075602545 804499618 /nfs/dbraw/zinc/49/96/18/804499618.db2.gz BZRQFPROWPHVLA-CMPLNLGQSA-N 1 2 297.811 2.042 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cscn3)[C@@H]2C1 ZINC001075602545 804499622 /nfs/dbraw/zinc/49/96/22/804499622.db2.gz BZRQFPROWPHVLA-CMPLNLGQSA-N 1 2 297.811 2.042 20 30 CEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CC=CC1 ZINC001268233792 804561515 /nfs/dbraw/zinc/56/15/15/804561515.db2.gz RTAZMGSZHNXGDC-UHFFFAOYSA-N 1 2 256.777 2.095 20 30 CEEDLO 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GTTJSIREZUBTGJ-INIZCTEOSA-N 1 2 291.391 2.489 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cnc4ccccc4n3)CC[C@@H]2S1 ZINC001138864938 815917730 /nfs/dbraw/zinc/91/77/30/815917730.db2.gz MHHOIMPIAXTVJS-HNNXBMFYSA-N 1 2 297.383 2.404 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cnc4ccccc4n3)CC[C@@H]2S1 ZINC001138864938 815917734 /nfs/dbraw/zinc/91/77/34/815917734.db2.gz MHHOIMPIAXTVJS-HNNXBMFYSA-N 1 2 297.383 2.404 20 30 CEEDLO COC1(C)C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701268 816088945 /nfs/dbraw/zinc/08/89/45/816088945.db2.gz DNHPHDDZOPJIQZ-UHFFFAOYSA-N 1 2 255.321 2.260 20 30 CEEDLO Cc1cc(C[N@H+](C)Cc2cc(F)cc(C#N)c2)n(C)n1 ZINC001139874679 816132827 /nfs/dbraw/zinc/13/28/27/816132827.db2.gz IEUASQMNVIFSPE-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO Cc1cc(C[N@@H+](C)Cc2cc(F)cc(C#N)c2)n(C)n1 ZINC001139874679 816132829 /nfs/dbraw/zinc/13/28/29/816132829.db2.gz IEUASQMNVIFSPE-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110947 816192238 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ZINC001140755339 816346850 /nfs/dbraw/zinc/34/68/50/816346850.db2.gz ASHUBSDGGFIGMT-UHFFFAOYSA-N 1 2 274.274 2.258 20 30 CEEDLO N#CCc1cc(NC(=O)CCn2cc[nH+]c2)ccc1F ZINC001176878721 816488146 /nfs/dbraw/zinc/48/81/46/816488146.db2.gz HDGOWKVHIIPTKA-UHFFFAOYSA-N 1 2 272.283 2.117 20 30 CEEDLO C=CCN(C(=O)Cc1[nH]c[nH+]c1C)c1ccccc1 ZINC001141705929 816580284 /nfs/dbraw/zinc/58/02/84/816580284.db2.gz WXGMAYMOFXDMQD-UHFFFAOYSA-N 1 2 255.321 2.480 20 30 CEEDLO CSc1nc(C[NH+]2CCC(C#N)CC2)ccc1C#N ZINC001141929143 816600191 /nfs/dbraw/zinc/60/01/91/816600191.db2.gz NIWRTCXKHHGCPZ-UHFFFAOYSA-N 1 2 272.377 2.411 20 30 CEEDLO N#Cc1ccc(F)c(F)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177996559 816656006 /nfs/dbraw/zinc/65/60/06/816656006.db2.gz HBGDVUXLSSCOQT-UHFFFAOYSA-N 1 2 276.246 2.131 20 30 CEEDLO N#Cc1ccc2c(C[N@@H+]3CCn4ccnc4C3)c[nH]c2c1 ZINC001142916036 816756168 /nfs/dbraw/zinc/75/61/68/816756168.db2.gz MCLBTBCYMYOXOA-UHFFFAOYSA-N 1 2 277.331 2.252 20 30 CEEDLO N#Cc1ccc2c(C[N@H+]3CCn4ccnc4C3)c[nH]c2c1 ZINC001142916036 816756173 /nfs/dbraw/zinc/75/61/73/816756173.db2.gz MCLBTBCYMYOXOA-UHFFFAOYSA-N 1 2 277.331 2.252 20 30 CEEDLO O=C(C#Cc1ccc(F)cc1F)Nc1cc[nH+]c2c1CCC2 ZINC001178568187 816768821 /nfs/dbraw/zinc/76/88/21/816768821.db2.gz JIDOKLOYVDEHBW-UHFFFAOYSA-N 1 2 298.292 2.261 20 30 CEEDLO C=CCOCCCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000079697800 343988239 /nfs/dbraw/zinc/98/82/39/343988239.db2.gz FFWRMYSARYCXIQ-UHFFFAOYSA-N 1 2 287.363 2.242 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127793344 187334050 /nfs/dbraw/zinc/33/40/50/187334050.db2.gz YITOUFNSKXLXNY-SNVBAGLBSA-N 1 2 271.280 2.164 20 30 CEEDLO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(=O)OC ZINC000035042552 361805864 /nfs/dbraw/zinc/80/58/64/361805864.db2.gz HEDQMKBFBWWYNL-BXUZGUMPSA-N 1 2 260.337 2.236 20 30 CEEDLO C=C(C)COCC[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000125814950 365688030 /nfs/dbraw/zinc/68/80/30/365688030.db2.gz ARCRJJXZEKDGDU-UHFFFAOYSA-N 1 2 297.424 2.198 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000357586355 529502321 /nfs/dbraw/zinc/50/23/21/529502321.db2.gz YMYRWIGKOLWLII-GFCCVEGCSA-N 1 2 295.342 2.344 20 30 CEEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000125951374 187207083 /nfs/dbraw/zinc/20/70/83/187207083.db2.gz WSOJQGWNULIAFT-SGTLLEGYSA-N 1 2 283.824 2.390 20 30 CEEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000125951374 187207084 /nfs/dbraw/zinc/20/70/84/187207084.db2.gz WSOJQGWNULIAFT-SGTLLEGYSA-N 1 2 283.824 2.390 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nncn1-c1ccccc1 ZINC000329359166 539237740 /nfs/dbraw/zinc/23/77/40/539237740.db2.gz GJXRHRLMORMLCG-OCCSQVGLSA-N 1 2 267.336 2.049 20 30 CEEDLO CN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000601820815 346909523 /nfs/dbraw/zinc/90/95/23/346909523.db2.gz TVWYGRJWSXHACL-CHWSQXEVSA-N 1 2 299.365 2.114 20 30 CEEDLO [O-]C(N[C@H]1CCCC(F)(F)C1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329633914 539244919 /nfs/dbraw/zinc/24/49/19/539244919.db2.gz 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/nfs/dbraw/zinc/18/48/02/362184802.db2.gz MWWGAZUHJOAYSZ-UHFFFAOYSA-N 1 2 286.360 2.085 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000052101058 343556069 /nfs/dbraw/zinc/55/60/69/343556069.db2.gz IPKLEDVWQMEVPP-UHFFFAOYSA-N 1 2 281.425 2.308 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000052101058 343556071 /nfs/dbraw/zinc/55/60/71/343556071.db2.gz IPKLEDVWQMEVPP-UHFFFAOYSA-N 1 2 281.425 2.308 20 30 CEEDLO CC[N@@H+](CC(=O)N1CCc2ccccc2C1)C[C@@H](C)C#N ZINC000128012551 365770747 /nfs/dbraw/zinc/77/07/47/365770747.db2.gz XGULRNDNGMIFON-AWEZNQCLSA-N 1 2 285.391 2.053 20 30 CEEDLO CC[N@H+](CC(=O)N1CCc2ccccc2C1)C[C@@H](C)C#N ZINC000128012551 365770755 /nfs/dbraw/zinc/77/07/55/365770755.db2.gz XGULRNDNGMIFON-AWEZNQCLSA-N 1 2 285.391 2.053 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccco1 ZINC000053065446 343570124 /nfs/dbraw/zinc/57/01/24/343570124.db2.gz GHOFARBJNWNANR-UHFFFAOYSA-N 1 2 250.342 2.136 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000053065446 343570125 /nfs/dbraw/zinc/57/01/25/343570125.db2.gz GHOFARBJNWNANR-UHFFFAOYSA-N 1 2 250.342 2.136 20 30 CEEDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000064796150 343692577 /nfs/dbraw/zinc/69/25/77/343692577.db2.gz ONUNNZXBWKWGAB-IUODEOHRSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000064796150 343692580 /nfs/dbraw/zinc/69/25/80/343692580.db2.gz ONUNNZXBWKWGAB-IUODEOHRSA-N 1 2 276.380 2.135 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000066470265 343715238 /nfs/dbraw/zinc/71/52/38/343715238.db2.gz JVWSHFBROJBPIM-KBPBESRZSA-N 1 2 273.380 2.125 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000066470265 343715240 /nfs/dbraw/zinc/71/52/40/343715240.db2.gz JVWSHFBROJBPIM-KBPBESRZSA-N 1 2 273.380 2.125 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602055265 346967333 /nfs/dbraw/zinc/96/73/33/346967333.db2.gz WHJWCTDFNNAICW-ZIAGYGMSSA-N 1 2 280.331 2.043 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602055265 346967336 /nfs/dbraw/zinc/96/73/36/346967336.db2.gz WHJWCTDFNNAICW-ZIAGYGMSSA-N 1 2 280.331 2.043 20 30 CEEDLO CC(C)C[C@H](C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000068333027 343761785 /nfs/dbraw/zinc/76/17/85/343761785.db2.gz HAYSBTXCIXRROP-GFCCVEGCSA-N 1 2 256.309 2.002 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000081055391 344037705 /nfs/dbraw/zinc/03/77/05/344037705.db2.gz VFPKMAMDYNALHV-UHFFFAOYSA-N 1 2 290.754 2.083 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000081055391 344037710 /nfs/dbraw/zinc/03/77/10/344037710.db2.gz VFPKMAMDYNALHV-UHFFFAOYSA-N 1 2 290.754 2.083 20 30 CEEDLO Cc1cn2ccc(C(=O)N3CCC[C@@H](CC#N)C3)cc2[nH+]1 ZINC000602177253 346989322 /nfs/dbraw/zinc/98/93/22/346989322.db2.gz FYHQBLWEXAJNGN-ZDUSSCGKSA-N 1 2 282.347 2.409 20 30 CEEDLO N#CC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC000602184986 346990130 /nfs/dbraw/zinc/99/01/30/346990130.db2.gz 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/nfs/dbraw/zinc/32/14/45/362321445.db2.gz GHBZEQDUANUYON-QPPOZKHWSA-N 1 2 265.401 2.161 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000049001032 362321643 /nfs/dbraw/zinc/32/16/43/362321643.db2.gz UGVHRKPFCZKDGG-NEPJUHHUSA-N 1 2 293.798 2.436 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000049001032 362321644 /nfs/dbraw/zinc/32/16/44/362321644.db2.gz UGVHRKPFCZKDGG-NEPJUHHUSA-N 1 2 293.798 2.436 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)C[C@@H](C)C#N)c(C)s1 ZINC000089117284 344115438 /nfs/dbraw/zinc/11/54/38/344115438.db2.gz BPWUGOSGHOKAPC-VIFPVBQESA-N 1 2 266.366 2.435 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)C#N)c(C)s1 ZINC000089117284 344115439 /nfs/dbraw/zinc/11/54/39/344115439.db2.gz BPWUGOSGHOKAPC-VIFPVBQESA-N 1 2 266.366 2.435 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOc3ccccc3C2)n1 ZINC000602447923 347036595 /nfs/dbraw/zinc/03/65/95/347036595.db2.gz HBWLKXIHERXFDM-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOc3ccccc3C2)n1 ZINC000602447923 347036597 /nfs/dbraw/zinc/03/65/97/347036597.db2.gz HBWLKXIHERXFDM-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CCC)cc1 ZINC000093771312 344229032 /nfs/dbraw/zinc/22/90/32/344229032.db2.gz WGFSZIPHUYYNFE-INIZCTEOSA-N 1 2 288.391 2.352 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CCC)cc1 ZINC000093771312 344229035 /nfs/dbraw/zinc/22/90/35/344229035.db2.gz WGFSZIPHUYYNFE-INIZCTEOSA-N 1 2 288.391 2.352 20 30 CEEDLO Cn1nncc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872147 344231703 /nfs/dbraw/zinc/23/17/03/344231703.db2.gz QORYIAKAKJBQPW-JKSUJKDBSA-N 1 2 281.363 2.087 20 30 CEEDLO Cn1nncc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872147 344231705 /nfs/dbraw/zinc/23/17/05/344231705.db2.gz QORYIAKAKJBQPW-JKSUJKDBSA-N 1 2 281.363 2.087 20 30 CEEDLO Cn1cc[nH+]c1[C@H](C1CC1)N(CCC#N)CC1CC1 ZINC000602466429 347043622 /nfs/dbraw/zinc/04/36/22/347043622.db2.gz WLZVWHHSTWBFJJ-AWEZNQCLSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@H](C1CC1)[N@H+](CCC#N)CC1CC1 ZINC000602466429 347043625 /nfs/dbraw/zinc/04/36/25/347043625.db2.gz WLZVWHHSTWBFJJ-AWEZNQCLSA-N 1 2 258.369 2.497 20 30 CEEDLO Cn1ccnc1[C@H](C1CC1)[N@@H+](CCC#N)CC1CC1 ZINC000602466429 347043627 /nfs/dbraw/zinc/04/36/27/347043627.db2.gz WLZVWHHSTWBFJJ-AWEZNQCLSA-N 1 2 258.369 2.497 20 30 CEEDLO Cc1cnc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)s1 ZINC000602471389 347046572 /nfs/dbraw/zinc/04/65/72/347046572.db2.gz CNNDUMINNLDDAC-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO COCC[N@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000152140130 344424023 /nfs/dbraw/zinc/42/40/23/344424023.db2.gz NMKLNJQZBIAGNQ-UHFFFAOYSA-N 1 2 268.307 2.369 20 30 CEEDLO COCC[N@@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000152140130 344424025 /nfs/dbraw/zinc/42/40/25/344424025.db2.gz NMKLNJQZBIAGNQ-UHFFFAOYSA-N 1 2 268.307 2.369 20 30 CEEDLO C[C@H]1CCN(C(=O)NCCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000177818586 344502967 /nfs/dbraw/zinc/50/29/67/344502967.db2.gz NTMSXRCKUKFHIJ-UONOGXRCSA-N 1 2 289.383 2.169 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000051332748 362428762 /nfs/dbraw/zinc/42/87/62/362428762.db2.gz KCEPCHSRPADTIK-OAHLLOKOSA-N 1 2 298.367 2.176 20 30 CEEDLO N#Cc1cccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000051667055 362434097 /nfs/dbraw/zinc/43/40/97/362434097.db2.gz GIZXTAGHJDQRJS-HNNXBMFYSA-N 1 2 298.367 2.176 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000051904806 362447033 /nfs/dbraw/zinc/44/70/33/362447033.db2.gz CXUCTIWERZOKOU-UHFFFAOYSA-N 1 2 296.292 2.096 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000293472304 344691960 /nfs/dbraw/zinc/69/19/60/344691960.db2.gz QENJHGJQFUERII-HNNXBMFYSA-N 1 2 282.347 2.286 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000293472304 344691962 /nfs/dbraw/zinc/69/19/62/344691962.db2.gz QENJHGJQFUERII-HNNXBMFYSA-N 1 2 282.347 2.286 20 30 CEEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000586778430 345020602 /nfs/dbraw/zinc/02/06/02/345020602.db2.gz GNFGJAVNTODHBZ-AWEZNQCLSA-N 1 2 257.381 2.393 20 30 CEEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000586778430 345020603 /nfs/dbraw/zinc/02/06/03/345020603.db2.gz GNFGJAVNTODHBZ-AWEZNQCLSA-N 1 2 257.381 2.393 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000586778751 345021166 /nfs/dbraw/zinc/02/11/66/345021166.db2.gz SBHSYQHRSUDGBN-IRXDYDNUSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000586778751 345021170 /nfs/dbraw/zinc/02/11/70/345021170.db2.gz SBHSYQHRSUDGBN-IRXDYDNUSA-N 1 2 286.375 2.247 20 30 CEEDLO N#Cc1cccc(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000054170818 362516136 /nfs/dbraw/zinc/51/61/36/362516136.db2.gz OBTUWYHEWKTEKI-UHFFFAOYSA-N 1 2 283.297 2.238 20 30 CEEDLO CC(C)n1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000588925647 345061090 /nfs/dbraw/zinc/06/10/90/345061090.db2.gz SOSHKFMVILNGPG-UHFFFAOYSA-N 1 2 273.315 2.160 20 30 CEEDLO N#CCN1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000590638649 345154423 /nfs/dbraw/zinc/15/44/23/345154423.db2.gz LGPMUXJWRASQSA-UHFFFAOYSA-N 1 2 290.754 2.122 20 30 CEEDLO C[C@@H](Nc1nc[nH+]c2c1OCCN2)c1ccc(C#N)cc1 ZINC000591138883 345223829 /nfs/dbraw/zinc/22/38/29/345223829.db2.gz IDEZYQRUXVYESE-SNVBAGLBSA-N 1 2 281.319 2.326 20 30 CEEDLO C[C@@H](Nc1[nH+]cnc2c1OCCN2)c1ccc(C#N)cc1 ZINC000591138883 345223833 /nfs/dbraw/zinc/22/38/33/345223833.db2.gz IDEZYQRUXVYESE-SNVBAGLBSA-N 1 2 281.319 2.326 20 30 CEEDLO C[C@@H](Nc1nc[nH+]c2c1OCCN2)c1cccc(C#N)c1 ZINC000591148417 345225070 /nfs/dbraw/zinc/22/50/70/345225070.db2.gz RRIRGFSHWCKAJW-SNVBAGLBSA-N 1 2 281.319 2.326 20 30 CEEDLO C[C@@H](Nc1[nH+]cnc2c1OCCN2)c1cccc(C#N)c1 ZINC000591148417 345225073 /nfs/dbraw/zinc/22/50/73/345225073.db2.gz RRIRGFSHWCKAJW-SNVBAGLBSA-N 1 2 281.319 2.326 20 30 CEEDLO C[C@H](Nc1nc[nH+]c2c1OCCN2)c1cccc(C#N)c1 ZINC000591148416 345225274 /nfs/dbraw/zinc/22/52/74/345225274.db2.gz RRIRGFSHWCKAJW-JTQLQIEISA-N 1 2 281.319 2.326 20 30 CEEDLO C[C@H](Nc1[nH+]cnc2c1OCCN2)c1cccc(C#N)c1 ZINC000591148416 345225276 /nfs/dbraw/zinc/22/52/76/345225276.db2.gz RRIRGFSHWCKAJW-JTQLQIEISA-N 1 2 281.319 2.326 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CCCC2 ZINC000591773633 345279533 /nfs/dbraw/zinc/27/95/33/345279533.db2.gz SAMHUCSPJWUJNX-HNNXBMFYSA-N 1 2 287.407 2.184 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CCCC2 ZINC000591773633 345279537 /nfs/dbraw/zinc/27/95/37/345279537.db2.gz SAMHUCSPJWUJNX-HNNXBMFYSA-N 1 2 287.407 2.184 20 30 CEEDLO Cc1cc(N(C)C[C@H]2CCCC[C@H]2O)c(C#N)c[nH+]1 ZINC000591822678 345285025 /nfs/dbraw/zinc/28/50/25/345285025.db2.gz TTXRYOQASQYZQX-IUODEOHRSA-N 1 2 259.353 2.249 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000592122497 345324856 /nfs/dbraw/zinc/32/48/56/345324856.db2.gz KPGVZNGTNHBTDM-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000592122497 345324858 /nfs/dbraw/zinc/32/48/58/345324858.db2.gz KPGVZNGTNHBTDM-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000592122894 345325840 /nfs/dbraw/zinc/32/58/40/345325840.db2.gz SAKXSQLTSRURIE-JKSUJKDBSA-N 1 2 283.375 2.487 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000592122894 345325842 /nfs/dbraw/zinc/32/58/42/345325842.db2.gz SAKXSQLTSRURIE-JKSUJKDBSA-N 1 2 283.375 2.487 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CCC1(F)F ZINC000592123380 345326123 /nfs/dbraw/zinc/32/61/23/345326123.db2.gz ZIWQEGDETWOJFB-SNVBAGLBSA-N 1 2 251.280 2.430 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCC1(F)F ZINC000592123380 345326126 /nfs/dbraw/zinc/32/61/26/345326126.db2.gz ZIWQEGDETWOJFB-SNVBAGLBSA-N 1 2 251.280 2.430 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000592146094 345329447 /nfs/dbraw/zinc/32/94/47/345329447.db2.gz CTVQQXQFXZWSFI-INIZCTEOSA-N 1 2 283.331 2.192 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000592146094 345329449 /nfs/dbraw/zinc/32/94/49/345329449.db2.gz CTVQQXQFXZWSFI-INIZCTEOSA-N 1 2 283.331 2.192 20 30 CEEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150376 345330463 /nfs/dbraw/zinc/33/04/63/345330463.db2.gz FFEHKJRDTPNSRC-XHDPSFHLSA-N 1 2 277.368 2.384 20 30 CEEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150376 345330464 /nfs/dbraw/zinc/33/04/64/345330464.db2.gz FFEHKJRDTPNSRC-XHDPSFHLSA-N 1 2 277.368 2.384 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000592148535 345330537 /nfs/dbraw/zinc/33/05/37/345330537.db2.gz WILHQAVNDBGOGX-CQSZACIVSA-N 1 2 289.360 2.254 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000592148535 345330539 /nfs/dbraw/zinc/33/05/39/345330539.db2.gz WILHQAVNDBGOGX-CQSZACIVSA-N 1 2 289.360 2.254 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2sccc2Cl)C1 ZINC000592154542 345331540 /nfs/dbraw/zinc/33/15/40/345331540.db2.gz TVDYCMVROQLVAX-LLVKDONJSA-N 1 2 256.758 2.252 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2sccc2Cl)C1 ZINC000592154542 345331543 /nfs/dbraw/zinc/33/15/43/345331543.db2.gz TVDYCMVROQLVAX-LLVKDONJSA-N 1 2 256.758 2.252 20 30 CEEDLO CC[C@H](C#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000593411787 345479315 /nfs/dbraw/zinc/47/93/15/345479315.db2.gz DTPVCCNRBUMKTN-CYBMUJFWSA-N 1 2 287.363 2.007 20 30 CEEDLO CCCNC(=O)CCC[N@H+](CC#N)C1CCCC1 ZINC000593959839 345556289 /nfs/dbraw/zinc/55/62/89/345556289.db2.gz USORZMSKRZHNOD-UHFFFAOYSA-N 1 2 251.374 2.061 20 30 CEEDLO CCCNC(=O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000593959839 345556294 /nfs/dbraw/zinc/55/62/94/345556294.db2.gz USORZMSKRZHNOD-UHFFFAOYSA-N 1 2 251.374 2.061 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000593977294 345559178 /nfs/dbraw/zinc/55/91/78/345559178.db2.gz XPSQOUAUTRLKNR-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593977294 345559179 /nfs/dbraw/zinc/55/91/79/345559179.db2.gz XPSQOUAUTRLKNR-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000594007902 345564985 /nfs/dbraw/zinc/56/49/85/345564985.db2.gz DQMJJTLMBDVJSG-VIFPVBQESA-N 1 2 260.263 2.227 20 30 CEEDLO CC[C@@H](C#N)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000594088689 345581054 /nfs/dbraw/zinc/58/10/54/345581054.db2.gz SMTPIJADNNXGLS-HNNXBMFYSA-N 1 2 282.347 2.306 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594247627 345603900 /nfs/dbraw/zinc/60/39/00/345603900.db2.gz AOUWDHFSIYILFF-NSHDSACASA-N 1 2 298.346 2.497 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594247627 345603904 /nfs/dbraw/zinc/60/39/04/345603904.db2.gz AOUWDHFSIYILFF-NSHDSACASA-N 1 2 298.346 2.497 20 30 CEEDLO N#Cc1ccc2c(c1)CN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000594604695 345658139 /nfs/dbraw/zinc/65/81/39/345658139.db2.gz WOAYUKLZZSKGCM-UHFFFAOYSA-N 1 2 291.358 2.469 20 30 CEEDLO N#Cc1ccc2c(c1)CN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000594604695 345658141 /nfs/dbraw/zinc/65/81/41/345658141.db2.gz WOAYUKLZZSKGCM-UHFFFAOYSA-N 1 2 291.358 2.469 20 30 CEEDLO CC1(C#N)CCC([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)CC1 ZINC000594510214 345640988 /nfs/dbraw/zinc/64/09/88/345640988.db2.gz IBZHLKMXVSYIJO-MQYJIDSJSA-N 1 2 289.383 2.218 20 30 CEEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000057907280 362601286 /nfs/dbraw/zinc/60/12/86/362601286.db2.gz GZFGJACIRQRGAR-CYBMUJFWSA-N 1 2 271.364 2.099 20 30 CEEDLO CCc1nnc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)[nH]1 ZINC000595289226 345755325 /nfs/dbraw/zinc/75/53/25/345755325.db2.gz QMYSAVSYNMRWIA-NSHDSACASA-N 1 2 269.352 2.432 20 30 CEEDLO CCc1nnc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)[nH]1 ZINC000595289226 345755328 /nfs/dbraw/zinc/75/53/28/345755328.db2.gz QMYSAVSYNMRWIA-NSHDSACASA-N 1 2 269.352 2.432 20 30 CEEDLO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)ccc1C#N ZINC000594957183 345716683 /nfs/dbraw/zinc/71/66/83/345716683.db2.gz NZQSAZSJJXQRJE-RISCZKNCSA-N 1 2 267.336 2.254 20 30 CEEDLO N#Cc1ccc(CC[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1 ZINC000595471998 345790956 /nfs/dbraw/zinc/79/09/56/345790956.db2.gz DBPLERDWVGADNM-CQSZACIVSA-N 1 2 298.346 2.069 20 30 CEEDLO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1 ZINC000595471998 345790959 /nfs/dbraw/zinc/79/09/59/345790959.db2.gz DBPLERDWVGADNM-CQSZACIVSA-N 1 2 298.346 2.069 20 30 CEEDLO C=CCCSCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000595725996 345860808 /nfs/dbraw/zinc/86/08/08/345860808.db2.gz SVUBWVXJFVEDKE-UHFFFAOYSA-N 1 2 296.440 2.224 20 30 CEEDLO Cc1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1[N+](=O)[O-] ZINC000595618694 345829064 /nfs/dbraw/zinc/82/90/64/345829064.db2.gz ZMPRADUFSAPRJY-JTQLQIEISA-N 1 2 264.285 2.017 20 30 CEEDLO Cc1noc(C[N@H+]2CCC[C@@H](CC#N)C2)c1[N+](=O)[O-] ZINC000595618694 345829066 /nfs/dbraw/zinc/82/90/66/345829066.db2.gz ZMPRADUFSAPRJY-JTQLQIEISA-N 1 2 264.285 2.017 20 30 CEEDLO CC(C)(C)n1nnnc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639482 345834015 /nfs/dbraw/zinc/83/40/15/345834015.db2.gz JHFXULQONOIGRM-UHFFFAOYSA-N 1 2 298.394 2.325 20 30 CEEDLO C=CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](C)COC ZINC000595639315 345834606 /nfs/dbraw/zinc/83/46/06/345834606.db2.gz SQPASSPQQZXZIQ-GFCCVEGCSA-N 1 2 289.335 2.489 20 30 CEEDLO C=CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](C)COC ZINC000595639315 345834608 /nfs/dbraw/zinc/83/46/08/345834608.db2.gz SQPASSPQQZXZIQ-GFCCVEGCSA-N 1 2 289.335 2.489 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CC#N)C2)c2[nH+]ccn21 ZINC000595641809 345835691 /nfs/dbraw/zinc/83/56/91/345835691.db2.gz DIIYLXDVSPXCHG-JHJVBQTASA-N 1 2 287.367 2.224 20 30 CEEDLO C[C@@H](NC(=O)NCc1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000595654645 345839597 /nfs/dbraw/zinc/83/95/97/345839597.db2.gz VMNFVAFRFNBODS-GFCCVEGCSA-N 1 2 297.362 2.047 20 30 CEEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595832644 345889198 /nfs/dbraw/zinc/88/91/98/345889198.db2.gz CQGVZSCIUDUBEV-BLLLJJGKSA-N 1 2 289.354 2.066 20 30 CEEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595832644 345889199 /nfs/dbraw/zinc/88/91/99/345889199.db2.gz CQGVZSCIUDUBEV-BLLLJJGKSA-N 1 2 289.354 2.066 20 30 CEEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1C#N ZINC000595844543 345897293 /nfs/dbraw/zinc/89/72/93/345897293.db2.gz URFDNPITNMSUIV-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1C#N ZINC000595844543 345897294 /nfs/dbraw/zinc/89/72/94/345897294.db2.gz URFDNPITNMSUIV-HNNXBMFYSA-N 1 2 255.321 2.302 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833289 345890359 /nfs/dbraw/zinc/89/03/59/345890359.db2.gz BXDZEGDQRZJADW-NFAWXSAZSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833289 345890361 /nfs/dbraw/zinc/89/03/61/345890361.db2.gz BXDZEGDQRZJADW-NFAWXSAZSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834127 345891339 /nfs/dbraw/zinc/89/13/39/345891339.db2.gz JWBCCZKOFGCJDF-HTHKGWQXSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834127 345891342 /nfs/dbraw/zinc/89/13/42/345891342.db2.gz JWBCCZKOFGCJDF-HTHKGWQXSA-N 1 2 277.412 2.305 20 30 CEEDLO COC(=O)c1ccccc1OCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842252 345896089 /nfs/dbraw/zinc/89/60/89/345896089.db2.gz CXXAFVHIPXORJP-INIZCTEOSA-N 1 2 288.347 2.088 20 30 CEEDLO COC(=O)c1ccccc1OCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842252 345896092 /nfs/dbraw/zinc/89/60/92/345896092.db2.gz CXXAFVHIPXORJP-INIZCTEOSA-N 1 2 288.347 2.088 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(F)c1 ZINC000595845280 345896899 /nfs/dbraw/zinc/89/68/99/345896899.db2.gz ZMQGPKDHEQIJBI-HNNXBMFYSA-N 1 2 276.311 2.348 20 30 CEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(F)c1 ZINC000595845280 345896900 /nfs/dbraw/zinc/89/69/00/345896900.db2.gz ZMQGPKDHEQIJBI-HNNXBMFYSA-N 1 2 276.311 2.348 20 30 CEEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccncc1C#N ZINC000595808984 345880833 /nfs/dbraw/zinc/88/08/33/345880833.db2.gz QCJLFDXOCCHMOU-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccncc1C#N ZINC000595808984 345880834 /nfs/dbraw/zinc/88/08/34/345880834.db2.gz QCJLFDXOCCHMOU-ZDUSSCGKSA-N 1 2 271.364 2.487 20 30 CEEDLO CCN(CC)c1ccc(CNc2c(C#N)cnn2C)c[nH+]1 ZINC000596078691 345934560 /nfs/dbraw/zinc/93/45/60/345934560.db2.gz YAXODNWSYXEEHT-UHFFFAOYSA-N 1 2 284.367 2.145 20 30 CEEDLO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)C#N)c(O)c(=O)c1 ZINC000596204130 345968658 /nfs/dbraw/zinc/96/86/58/345968658.db2.gz VOFNLEKHWBIMES-LBPRGKRZSA-N 1 2 274.364 2.467 20 30 CEEDLO CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)c(O)c(=O)c1 ZINC000596204130 345968662 /nfs/dbraw/zinc/96/86/62/345968662.db2.gz VOFNLEKHWBIMES-LBPRGKRZSA-N 1 2 274.364 2.467 20 30 CEEDLO Cc1cc(NCc2cc(C(F)(F)F)on2)c(C#N)c[nH+]1 ZINC000596254187 345981770 /nfs/dbraw/zinc/98/17/70/345981770.db2.gz NISLSAXIHUKVFB-UHFFFAOYSA-N 1 2 282.225 2.303 20 30 CEEDLO CCCCNc1cc(N2CCC[C@H](CC#N)C2)nc(N)[nH+]1 ZINC000596326271 346000196 /nfs/dbraw/zinc/00/01/96/346000196.db2.gz QRIOZECDQJRGQP-GFCCVEGCSA-N 1 2 288.399 2.231 20 30 CEEDLO CCCCNc1cc(N2CCC[C@H](CC#N)C2)[nH+]c(N)n1 ZINC000596326271 346000199 /nfs/dbraw/zinc/00/01/99/346000199.db2.gz QRIOZECDQJRGQP-GFCCVEGCSA-N 1 2 288.399 2.231 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000596434028 346023339 /nfs/dbraw/zinc/02/33/39/346023339.db2.gz WQQKLDPQVXQJSQ-VXGBXAGGSA-N 1 2 277.343 2.218 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000596434028 346023340 /nfs/dbraw/zinc/02/33/40/346023340.db2.gz WQQKLDPQVXQJSQ-VXGBXAGGSA-N 1 2 277.343 2.218 20 30 CEEDLO CO[C@H](CNc1cc(C)[nH+]cc1C#N)C1CCCC1 ZINC000596529345 346046752 /nfs/dbraw/zinc/04/67/52/346046752.db2.gz RCTKIWJKYHFXDI-OAHLLOKOSA-N 1 2 259.353 2.301 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000596712338 346078647 /nfs/dbraw/zinc/07/86/47/346078647.db2.gz ZBQPCMKVYQZZMW-MCIONIFRSA-N 1 2 298.321 2.044 20 30 CEEDLO COCc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597178192 346142181 /nfs/dbraw/zinc/14/21/81/346142181.db2.gz WGKLDCUOTXJDRD-NSHDSACASA-N 1 2 265.382 2.415 20 30 CEEDLO COCc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597178192 346142183 /nfs/dbraw/zinc/14/21/83/346142183.db2.gz WGKLDCUOTXJDRD-NSHDSACASA-N 1 2 265.382 2.415 20 30 CEEDLO CC1CC(C#N)(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000597600814 346206096 /nfs/dbraw/zinc/20/60/96/346206096.db2.gz VCZFYWHXEDENIL-UHFFFAOYSA-N 1 2 254.293 2.213 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1[nH]cc[nH+]1 ZINC000597685098 346215039 /nfs/dbraw/zinc/21/50/39/346215039.db2.gz QQPVHNAYMWRKLD-TZMCWYRMSA-N 1 2 282.347 2.359 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@](C)(C#N)C1 ZINC000598405544 346346543 /nfs/dbraw/zinc/34/65/43/346346543.db2.gz MAJUULMOYGONBH-QGZVFWFLSA-N 1 2 296.374 2.361 20 30 CEEDLO C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1[nH+]ccn1C ZINC000598463733 346360831 /nfs/dbraw/zinc/36/08/31/346360831.db2.gz AOGPUXDKHPMDBC-LBPRGKRZSA-N 1 2 294.358 2.466 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464176 346361189 /nfs/dbraw/zinc/36/11/89/346361189.db2.gz GSLKMQKUGXAXAA-OLZOCXBDSA-N 1 2 296.374 2.348 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000598591931 346379527 /nfs/dbraw/zinc/37/95/27/346379527.db2.gz CCTUKIRBNNIQSN-HNNXBMFYSA-N 1 2 286.379 2.098 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000598591931 346379531 /nfs/dbraw/zinc/37/95/31/346379531.db2.gz CCTUKIRBNNIQSN-HNNXBMFYSA-N 1 2 286.379 2.098 20 30 CEEDLO COC1(c2ccccc2)C[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598705640 346404960 /nfs/dbraw/zinc/40/49/60/346404960.db2.gz LFKVNSRTEUUBDT-HNNXBMFYSA-N 1 2 288.391 2.145 20 30 CEEDLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(C(F)F)c1C#N ZINC000599160900 346469797 /nfs/dbraw/zinc/46/97/97/346469797.db2.gz LEMRZARGERKKEX-JTQLQIEISA-N 1 2 281.306 2.238 20 30 CEEDLO C[N@H+]1CCOC[C@@H]1CNc1cccc(C(F)F)c1C#N ZINC000599160900 346469800 /nfs/dbraw/zinc/46/98/00/346469800.db2.gz LEMRZARGERKKEX-JTQLQIEISA-N 1 2 281.306 2.238 20 30 CEEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000602607157 347098503 /nfs/dbraw/zinc/09/85/03/347098503.db2.gz HDUNYUPZVYRGTL-IUODEOHRSA-N 1 2 289.354 2.238 20 30 CEEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000602607157 347098507 /nfs/dbraw/zinc/09/85/07/347098507.db2.gz HDUNYUPZVYRGTL-IUODEOHRSA-N 1 2 289.354 2.238 20 30 CEEDLO CC(C)(C)CNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000599297462 346493133 /nfs/dbraw/zinc/49/31/33/346493133.db2.gz IEOAXCFWMWUGLC-UHFFFAOYSA-N 1 2 267.417 2.410 20 30 CEEDLO CC(C)(C)CNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000599297462 346493134 /nfs/dbraw/zinc/49/31/34/346493134.db2.gz IEOAXCFWMWUGLC-UHFFFAOYSA-N 1 2 267.417 2.410 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc(C)c(C#N)c1 ZINC000599308613 346496391 /nfs/dbraw/zinc/49/63/91/346496391.db2.gz VEKYSGMCFYGJNM-UHFFFAOYSA-N 1 2 257.337 2.229 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)c(C#N)c1 ZINC000599308613 346496394 /nfs/dbraw/zinc/49/63/94/346496394.db2.gz VEKYSGMCFYGJNM-UHFFFAOYSA-N 1 2 257.337 2.229 20 30 CEEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599325376 346499156 /nfs/dbraw/zinc/49/91/56/346499156.db2.gz DCUSUNHCYYZYBB-LBPRGKRZSA-N 1 2 260.337 2.250 20 30 CEEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599325376 346499159 /nfs/dbraw/zinc/49/91/59/346499159.db2.gz DCUSUNHCYYZYBB-LBPRGKRZSA-N 1 2 260.337 2.250 20 30 CEEDLO N#CCCN1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599336711 346501407 /nfs/dbraw/zinc/50/14/07/346501407.db2.gz NEGCCFQQFPFOSG-UHFFFAOYSA-N 1 2 279.771 2.077 20 30 CEEDLO COc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)nn1 ZINC000599679200 346563435 /nfs/dbraw/zinc/56/34/35/346563435.db2.gz XGZCBYFWHCDRQP-UHFFFAOYSA-N 1 2 294.358 2.110 20 30 CEEDLO COc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)nn1 ZINC000599679200 346563438 /nfs/dbraw/zinc/56/34/38/346563438.db2.gz XGZCBYFWHCDRQP-UHFFFAOYSA-N 1 2 294.358 2.110 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000599642208 346551849 /nfs/dbraw/zinc/55/18/49/346551849.db2.gz LAPUGUKKAXATKW-CQSZACIVSA-N 1 2 278.327 2.127 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000599642208 346551850 /nfs/dbraw/zinc/55/18/50/346551850.db2.gz LAPUGUKKAXATKW-CQSZACIVSA-N 1 2 278.327 2.127 20 30 CEEDLO CCOC(=O)c1cccc(C[NH2+]CC2(C#N)CCC2)n1 ZINC000600165280 346611222 /nfs/dbraw/zinc/61/12/22/346611222.db2.gz QIJOZLSJVKKWHE-UHFFFAOYSA-N 1 2 273.336 2.042 20 30 CEEDLO CC(C)N1CCC[C@@H]([N@H+](C[C@@H](C)C#N)C2CC2)C1=O ZINC000336801559 365832430 /nfs/dbraw/zinc/83/24/30/365832430.db2.gz QNTQCEVTWCKHIP-GXTWGEPZSA-N 1 2 263.385 2.010 20 30 CEEDLO CC(C)N1CCC[C@@H]([N@@H+](C[C@@H](C)C#N)C2CC2)C1=O ZINC000336801559 365832434 /nfs/dbraw/zinc/83/24/34/365832434.db2.gz QNTQCEVTWCKHIP-GXTWGEPZSA-N 1 2 263.385 2.010 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cc1cocn1)C2 ZINC000600213192 346624671 /nfs/dbraw/zinc/62/46/71/346624671.db2.gz RMRDJVVOVHRXPM-UHFFFAOYSA-N 1 2 253.305 2.299 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cocn1)C2 ZINC000600213192 346624673 /nfs/dbraw/zinc/62/46/73/346624673.db2.gz RMRDJVVOVHRXPM-UHFFFAOYSA-N 1 2 253.305 2.299 20 30 CEEDLO CC[C@H](C#N)C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315820 346634178 /nfs/dbraw/zinc/63/41/78/346634178.db2.gz VQWHAXLUBFXVJL-ZWNOBZJWSA-N 1 2 286.310 2.304 20 30 CEEDLO N#CC1(C(=O)NCCCCNc2cccc[nH+]2)CC2(CC2)C1 ZINC000601039411 346737551 /nfs/dbraw/zinc/73/75/51/346737551.db2.gz JVMQSGCKWHSNIU-UHFFFAOYSA-N 1 2 298.390 2.474 20 30 CEEDLO COc1cc(F)cc(OC)c1C[NH2+]CC(C)(C)C#N ZINC000602614233 347103701 /nfs/dbraw/zinc/10/37/01/347103701.db2.gz NEELKAGQAZNMAQ-UHFFFAOYSA-N 1 2 266.316 2.482 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(OC)cc1 ZINC000602622501 347107700 /nfs/dbraw/zinc/10/77/00/347107700.db2.gz JCDJNJFGXJLNJW-WFASDCNBSA-N 1 2 290.363 2.439 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000129550738 365870590 /nfs/dbraw/zinc/87/05/90/365870590.db2.gz CXKNAVQTLSDFPK-LBPRGKRZSA-N 1 2 260.337 2.330 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000129550738 365870595 /nfs/dbraw/zinc/87/05/95/365870595.db2.gz CXKNAVQTLSDFPK-LBPRGKRZSA-N 1 2 260.337 2.330 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602798355 347203322 /nfs/dbraw/zinc/20/33/22/347203322.db2.gz KCFDFTRESAMGDB-CYBMUJFWSA-N 1 2 274.368 2.094 20 30 CEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602798355 347203323 /nfs/dbraw/zinc/20/33/23/347203323.db2.gz KCFDFTRESAMGDB-CYBMUJFWSA-N 1 2 274.368 2.094 20 30 CEEDLO C=C(C)C[C@H]([NH2+]Cc1ccc(COC)cc1)C(=O)OC ZINC000602734518 347178322 /nfs/dbraw/zinc/17/83/22/347178322.db2.gz PAPAAEJGTWLHTN-HNNXBMFYSA-N 1 2 277.364 2.430 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000602850000 347224551 /nfs/dbraw/zinc/22/45/51/347224551.db2.gz TXLRRTXJIKHDJP-GRYCIOLGSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000602850000 347224552 /nfs/dbraw/zinc/22/45/52/347224552.db2.gz TXLRRTXJIKHDJP-GRYCIOLGSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccc(F)c(F)c2)C[C@H](C)N1CC#N ZINC000602858238 347226997 /nfs/dbraw/zinc/22/69/97/347226997.db2.gz QKXZWDZAJCOAFK-RYUDHWBXSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000602871738 347232933 /nfs/dbraw/zinc/23/29/33/347232933.db2.gz VNNLGYCYCJHCBD-XUJVJEKNSA-N 1 2 289.354 2.379 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924125 347248834 /nfs/dbraw/zinc/24/88/34/347248834.db2.gz AZOYKZPDDDEZSW-OAHLLOKOSA-N 1 2 289.379 2.425 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602924125 347248836 /nfs/dbraw/zinc/24/88/36/347248836.db2.gz AZOYKZPDDDEZSW-OAHLLOKOSA-N 1 2 289.379 2.425 20 30 CEEDLO CCn1nc(C)c(C[N@H+](C)Cc2ccnc(C#N)c2)c1C ZINC000602927755 347249363 /nfs/dbraw/zinc/24/93/63/347249363.db2.gz YIQQRHNVFIVBFH-UHFFFAOYSA-N 1 2 283.379 2.419 20 30 CEEDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccnc(C#N)c2)c1C ZINC000602927755 347249367 /nfs/dbraw/zinc/24/93/67/347249367.db2.gz YIQQRHNVFIVBFH-UHFFFAOYSA-N 1 2 283.379 2.419 20 30 CEEDLO C=C(C)CC[NH2+][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602946449 347254102 /nfs/dbraw/zinc/25/41/02/347254102.db2.gz SSROTLVITWXVPL-HNNXBMFYSA-N 1 2 277.364 2.335 20 30 CEEDLO COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]CCCCC#N ZINC000602952081 347255306 /nfs/dbraw/zinc/25/53/06/347255306.db2.gz QZGQMRIUWSMUML-OAHLLOKOSA-N 1 2 290.363 2.063 20 30 CEEDLO C[N@H+](CC(=O)NCC1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602974129 347259897 /nfs/dbraw/zinc/25/98/97/347259897.db2.gz KBCXSGHWAQECLZ-CABCVRRESA-N 1 2 277.412 2.307 20 30 CEEDLO C[N@@H+](CC(=O)NCC1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602974129 347259899 /nfs/dbraw/zinc/25/98/99/347259899.db2.gz KBCXSGHWAQECLZ-CABCVRRESA-N 1 2 277.412 2.307 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)o1 ZINC000602976806 347262460 /nfs/dbraw/zinc/26/24/60/347262460.db2.gz SZHGIIRADPCIPL-WCQYABFASA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)o1 ZINC000602976806 347262463 /nfs/dbraw/zinc/26/24/63/347262463.db2.gz SZHGIIRADPCIPL-WCQYABFASA-N 1 2 276.336 2.499 20 30 CEEDLO Cc1nc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000603398480 347358988 /nfs/dbraw/zinc/35/89/88/347358988.db2.gz ABTRGTMMTOHKRM-STQMWFEESA-N 1 2 299.422 2.086 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000129829406 365898952 /nfs/dbraw/zinc/89/89/52/365898952.db2.gz KFNOWVIFNQUEHQ-ZDUSSCGKSA-N 1 2 290.363 2.209 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000129829406 365898960 /nfs/dbraw/zinc/89/89/60/365898960.db2.gz KFNOWVIFNQUEHQ-ZDUSSCGKSA-N 1 2 290.363 2.209 20 30 CEEDLO C=CCOCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608206706 347574199 /nfs/dbraw/zinc/57/41/99/347574199.db2.gz IAXCQTZCACVNIP-OAHLLOKOSA-N 1 2 299.374 2.023 20 30 CEEDLO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)CC#N)c1ccccc1 ZINC000609030762 347625004 /nfs/dbraw/zinc/62/50/04/347625004.db2.gz GSPXVMMMHMTKJW-UKRRQHHQSA-N 1 2 273.380 2.488 20 30 CEEDLO CC(C)C[C@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000609169209 347629956 /nfs/dbraw/zinc/62/99/56/347629956.db2.gz VMCXGIAYPBDEON-CQSZACIVSA-N 1 2 262.357 2.108 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C#N)cc1F ZINC000609574605 347643806 /nfs/dbraw/zinc/64/38/06/347643806.db2.gz BRQMLCWHJYTUQF-GFCCVEGCSA-N 1 2 256.284 2.231 20 30 CEEDLO N#CC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCCC1 ZINC000609618962 347647339 /nfs/dbraw/zinc/64/73/39/347647339.db2.gz QFVDFBJFVBAOAG-UHFFFAOYSA-N 1 2 254.293 2.357 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000609626176 347647895 /nfs/dbraw/zinc/64/78/95/347647895.db2.gz CNDOVIDSFHWTCF-OCCSQVGLSA-N 1 2 257.337 2.074 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000610088106 347660027 /nfs/dbraw/zinc/66/00/27/347660027.db2.gz RLHLXFWXUDFPNK-ZWNOBZJWSA-N 1 2 277.755 2.337 20 30 CEEDLO CCCCn1nnnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611387786 347771906 /nfs/dbraw/zinc/77/19/06/347771906.db2.gz SSQYMNVCCXFZKG-LBPRGKRZSA-N 1 2 284.367 2.196 20 30 CEEDLO C[C@]1(C#N)CCCN(CC[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612160136 347851142 /nfs/dbraw/zinc/85/11/42/347851142.db2.gz GJISJTHFUMTZKN-HZPDHXFCSA-N 1 2 274.412 2.238 20 30 CEEDLO C[C@]1(C#N)CCCN(CC[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612160136 347851143 /nfs/dbraw/zinc/85/11/43/347851143.db2.gz GJISJTHFUMTZKN-HZPDHXFCSA-N 1 2 274.412 2.238 20 30 CEEDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162740 347852321 /nfs/dbraw/zinc/85/23/21/347852321.db2.gz QMCOEAUSDDBXGB-WFASDCNBSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162740 347852324 /nfs/dbraw/zinc/85/23/24/347852324.db2.gz QMCOEAUSDDBXGB-WFASDCNBSA-N 1 2 263.385 2.059 20 30 CEEDLO Cc1cc([NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1-n1cnnn1 ZINC000613252352 348008811 /nfs/dbraw/zinc/00/88/11/348008811.db2.gz YBJYNNBGQDCHLD-OLZOCXBDSA-N 1 2 282.351 2.465 20 30 CEEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000066492456 362869213 /nfs/dbraw/zinc/86/92/13/362869213.db2.gz SIQYAGMILVNPAE-CYBMUJFWSA-N 1 2 277.755 2.117 20 30 CEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000066492456 362869214 /nfs/dbraw/zinc/86/92/14/362869214.db2.gz SIQYAGMILVNPAE-CYBMUJFWSA-N 1 2 277.755 2.117 20 30 CEEDLO Cc1ccnc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000616768721 348572845 /nfs/dbraw/zinc/57/28/45/348572845.db2.gz FWRUSYPTMXKZEI-INIZCTEOSA-N 1 2 272.396 2.056 20 30 CEEDLO C=C[C@H]([NH2+][C@H]1C[C@H](OCC)C1(CC)CC)C(=O)OC ZINC000619702322 349222772 /nfs/dbraw/zinc/22/27/72/349222772.db2.gz KZTXMLJQNFKXHF-AVGNSLFASA-N 1 2 269.385 2.287 20 30 CEEDLO C=C[C@H]([NH2+]CCc1cn(C)c2cc(C)ccc12)C(=O)OC ZINC000619704054 349224992 /nfs/dbraw/zinc/22/49/92/349224992.db2.gz VQMQAKLZEFWOCJ-HNNXBMFYSA-N 1 2 286.375 2.346 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000619716037 349226211 /nfs/dbraw/zinc/22/62/11/349226211.db2.gz KWNAICGSIIJETK-ZDUSSCGKSA-N 1 2 293.363 2.253 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000619716037 349226215 /nfs/dbraw/zinc/22/62/15/349226215.db2.gz KWNAICGSIIJETK-ZDUSSCGKSA-N 1 2 293.363 2.253 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)Cc1ccc(OC)cc1 ZINC000619716522 349226312 /nfs/dbraw/zinc/22/63/12/349226312.db2.gz SHBMNVUFALLZBB-AWEZNQCLSA-N 1 2 263.337 2.245 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000619716522 349226316 /nfs/dbraw/zinc/22/63/16/349226316.db2.gz SHBMNVUFALLZBB-AWEZNQCLSA-N 1 2 263.337 2.245 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCOc1ccccc1C ZINC000619716292 349226358 /nfs/dbraw/zinc/22/63/58/349226358.db2.gz HVBNTRPOYJCKDW-CQSZACIVSA-N 1 2 277.364 2.423 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCOc1ccccc1C ZINC000619716292 349226361 /nfs/dbraw/zinc/22/63/61/349226361.db2.gz HVBNTRPOYJCKDW-CQSZACIVSA-N 1 2 277.364 2.423 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCc1ccc(OC)cc1 ZINC000619716749 349226443 /nfs/dbraw/zinc/22/64/43/349226443.db2.gz CCQSVENUTZUVMZ-OAHLLOKOSA-N 1 2 277.364 2.287 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000619716749 349226445 /nfs/dbraw/zinc/22/64/45/349226445.db2.gz CCQSVENUTZUVMZ-OAHLLOKOSA-N 1 2 277.364 2.287 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000619717488 349227129 /nfs/dbraw/zinc/22/71/29/349227129.db2.gz JYGQQWCNMMEGAK-LSDHHAIUSA-N 1 2 275.348 2.178 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000619717488 349227131 /nfs/dbraw/zinc/22/71/31/349227131.db2.gz JYGQQWCNMMEGAK-LSDHHAIUSA-N 1 2 275.348 2.178 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC(=O)N1C ZINC000619723860 349230143 /nfs/dbraw/zinc/23/01/43/349230143.db2.gz SQXAHSFBKPSTJD-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC(=O)N1C ZINC000619723860 349230146 /nfs/dbraw/zinc/23/01/46/349230146.db2.gz SQXAHSFBKPSTJD-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc(C#N)nn1 ZINC000619528067 349193946 /nfs/dbraw/zinc/19/39/46/349193946.db2.gz ONLGCHQBYVSHNJ-ZDUSSCGKSA-N 1 2 282.351 2.296 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883389 349241796 /nfs/dbraw/zinc/24/17/96/349241796.db2.gz GZLAPAAYFZYFOK-HNNXBMFYSA-N 1 2 294.439 2.160 20 30 CEEDLO C=CC[C@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000623486616 350032398 /nfs/dbraw/zinc/03/23/98/350032398.db2.gz ADSIVRCLHGPAHO-AWEZNQCLSA-N 1 2 276.384 2.271 20 30 CEEDLO C#CCCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271335693 191080706 /nfs/dbraw/zinc/08/07/06/191080706.db2.gz AKEUWHFPAXWVHF-ZDUSSCGKSA-N 1 2 259.353 2.309 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000624388822 350277860 /nfs/dbraw/zinc/27/78/60/350277860.db2.gz IRPVGDKMWGXQBI-LLVKDONJSA-N 1 2 264.373 2.383 20 30 CEEDLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)NCC#N)CC2)c1 ZINC000092428308 180383095 /nfs/dbraw/zinc/38/30/95/180383095.db2.gz WYCWDGZOWJNEDW-UHFFFAOYSA-N 1 2 283.375 2.032 20 30 CEEDLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)NCC#N)CC2)c1 ZINC000092428308 180383098 /nfs/dbraw/zinc/38/30/98/180383098.db2.gz WYCWDGZOWJNEDW-UHFFFAOYSA-N 1 2 283.375 2.032 20 30 CEEDLO N#CC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCOCC1 ZINC000109140325 186243994 /nfs/dbraw/zinc/24/39/94/186243994.db2.gz VDZPVFHKGWUHNY-UHFFFAOYSA-N 1 2 296.330 2.131 20 30 CEEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000108854730 186233108 /nfs/dbraw/zinc/23/31/08/186233108.db2.gz JVKSYKJYAIEKEV-ZDUSSCGKSA-N 1 2 277.755 2.117 20 30 CEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000108854730 186233109 /nfs/dbraw/zinc/23/31/09/186233109.db2.gz JVKSYKJYAIEKEV-ZDUSSCGKSA-N 1 2 277.755 2.117 20 30 CEEDLO COC[C@@]1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000626174559 350677484 /nfs/dbraw/zinc/67/74/84/350677484.db2.gz UIVMZRJUCQQZCK-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO COC[C@@]1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000626174559 350677488 /nfs/dbraw/zinc/67/74/88/350677488.db2.gz UIVMZRJUCQQZCK-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO C=CCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000627373244 350867590 /nfs/dbraw/zinc/86/75/90/350867590.db2.gz 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CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000367299414 373147292 /nfs/dbraw/zinc/14/72/92/373147292.db2.gz HQENDBGVBFNGEQ-GFCCVEGCSA-N 1 2 291.399 2.410 20 30 CEEDLO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000367299414 373147298 /nfs/dbraw/zinc/14/72/98/373147298.db2.gz HQENDBGVBFNGEQ-GFCCVEGCSA-N 1 2 291.399 2.410 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ncn(C)n1 ZINC000353598041 220182059 /nfs/dbraw/zinc/18/20/59/220182059.db2.gz RZDPYYZJZKPCML-QMTHXVAHSA-N 1 2 267.336 2.025 20 30 CEEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)o1)CC2 ZINC000272360892 373447893 /nfs/dbraw/zinc/44/78/93/373447893.db2.gz NCKKQFMPYDPCCI-UHFFFAOYSA-N 1 2 296.326 2.496 20 30 CEEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C#N)o1)CC2 ZINC000272360892 373447899 /nfs/dbraw/zinc/44/78/99/373447899.db2.gz NCKKQFMPYDPCCI-UHFFFAOYSA-N 1 2 296.326 2.496 20 30 CEEDLO C#CCCCCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272575266 373558087 /nfs/dbraw/zinc/55/80/87/373558087.db2.gz 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ZINC000373740323 374414651 /nfs/dbraw/zinc/41/46/51/374414651.db2.gz GFRIOHMDXOHOPJ-AWEZNQCLSA-N 1 2 296.317 2.213 20 30 CEEDLO C#CC[N@H+]1CC[C@](F)(c2cc(OC)cc(OC)c2)C1 ZINC000374627485 374617402 /nfs/dbraw/zinc/61/74/02/374617402.db2.gz OVJBIJDRGCFTSW-OAHLLOKOSA-N 1 2 263.312 2.208 20 30 CEEDLO C#CC[N@@H+]1CC[C@](F)(c2cc(OC)cc(OC)c2)C1 ZINC000374627485 374617409 /nfs/dbraw/zinc/61/74/09/374617409.db2.gz OVJBIJDRGCFTSW-OAHLLOKOSA-N 1 2 263.312 2.208 20 30 CEEDLO Cc1cc(C#N)cc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000376771335 374730972 /nfs/dbraw/zinc/73/09/72/374730972.db2.gz GOPAGEKAGAAZTO-UHFFFAOYSA-N 1 2 267.336 2.300 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cncc(C)c2)n1 ZINC000279685877 374952909 /nfs/dbraw/zinc/95/29/09/374952909.db2.gz HBJOPZGDPKHMCZ-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cncc(C)c2)n1 ZINC000279685877 374952916 /nfs/dbraw/zinc/95/29/16/374952916.db2.gz HBJOPZGDPKHMCZ-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C=C(Br)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281809024 375395366 /nfs/dbraw/zinc/39/53/66/375395366.db2.gz VXTALPQOJNRRCX-ZDUSSCGKSA-N 1 2 298.180 2.155 20 30 CEEDLO C#Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000290169893 376670112 /nfs/dbraw/zinc/67/01/12/376670112.db2.gz YGLQEEXCCKNSQZ-CYBMUJFWSA-N 1 2 259.349 2.440 20 30 CEEDLO C#Cc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000290169893 376670117 /nfs/dbraw/zinc/67/01/17/376670117.db2.gz YGLQEEXCCKNSQZ-CYBMUJFWSA-N 1 2 259.349 2.440 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000312702373 376726102 /nfs/dbraw/zinc/72/61/02/376726102.db2.gz BWPUEAHSJVMCNZ-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000312702373 376726109 /nfs/dbraw/zinc/72/61/09/376726109.db2.gz BWPUEAHSJVMCNZ-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1ccc(OCC[N@@H+]2Cc3cccnc3C2)cc1 ZINC000559763437 376693178 /nfs/dbraw/zinc/69/31/78/376693178.db2.gz OJKHAMFKDARXDP-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO N#Cc1ccc(OCC[N@H+]2Cc3cccnc3C2)cc1 ZINC000559763437 376693189 /nfs/dbraw/zinc/69/31/89/376693189.db2.gz OJKHAMFKDARXDP-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000420942705 376742847 /nfs/dbraw/zinc/74/28/47/376742847.db2.gz QOSDQPQSZGDGSN-HNNXBMFYSA-N 1 2 293.794 2.163 20 30 CEEDLO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000420942705 376742853 /nfs/dbraw/zinc/74/28/53/376742853.db2.gz QOSDQPQSZGDGSN-HNNXBMFYSA-N 1 2 293.794 2.163 20 30 CEEDLO C=C[C@@H](CC(=O)NCc1c[nH+]c(C)nc1N)c1ccccc1 ZINC000561702782 376825766 /nfs/dbraw/zinc/82/57/66/376825766.db2.gz VZQKYPRUWQOMML-ZDUSSCGKSA-N 1 2 296.374 2.174 20 30 CEEDLO CC1CC(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328597737 376856367 /nfs/dbraw/zinc/85/63/67/376856367.db2.gz ALWFYANSQAOODA-MOENNCHZSA-N 1 2 262.357 2.063 20 30 CEEDLO COc1cc(C[NH2+]CC2(C#N)CC2)c([N+](=O)[O-])cc1OC ZINC000562391415 376884028 /nfs/dbraw/zinc/88/40/28/376884028.db2.gz CIXCAYQNHGROFF-UHFFFAOYSA-N 1 2 291.307 2.005 20 30 CEEDLO Cc1nc(C2([NH2+]CC(=O)NC3CC3)CCCCC2)no1 ZINC000329356985 376953747 /nfs/dbraw/zinc/95/37/47/376953747.db2.gz FXROZEJFJFJFMD-UHFFFAOYSA-N 1 2 278.356 2.246 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329691421 376994301 /nfs/dbraw/zinc/99/43/01/376994301.db2.gz GQVRJMSXSFVDAG-JTNHKYCSSA-N 1 2 275.352 2.205 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329691421 376994304 /nfs/dbraw/zinc/99/43/04/376994304.db2.gz GQVRJMSXSFVDAG-JTNHKYCSSA-N 1 2 275.352 2.205 20 30 CEEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCC1(F)F ZINC000329733117 377004789 /nfs/dbraw/zinc/00/47/89/377004789.db2.gz QQLCEWPNPZWDMW-NXEZZACHSA-N 1 2 298.337 2.158 20 30 CEEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCC1(F)F ZINC000329733117 377004794 /nfs/dbraw/zinc/00/47/94/377004794.db2.gz QQLCEWPNPZWDMW-NXEZZACHSA-N 1 2 298.337 2.158 20 30 CEEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)C[C@H](C)C#N ZINC000330603369 377195509 /nfs/dbraw/zinc/19/55/09/377195509.db2.gz FZXVPYHDWBZISL-SYQHCUMBSA-N 1 2 265.401 2.161 20 30 CEEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)C[C@H](C)C#N ZINC000330603369 377195515 /nfs/dbraw/zinc/19/55/15/377195515.db2.gz FZXVPYHDWBZISL-SYQHCUMBSA-N 1 2 265.401 2.161 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(F)c1 ZINC000291341423 377182311 /nfs/dbraw/zinc/18/23/11/377182311.db2.gz VXUUPQWGHPOUSD-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(F)c1 ZINC000291341423 377182323 /nfs/dbraw/zinc/18/23/23/377182323.db2.gz VXUUPQWGHPOUSD-GFCCVEGCSA-N 1 2 284.281 2.147 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000330962569 377215263 /nfs/dbraw/zinc/21/52/63/377215263.db2.gz CJQRYOKOZLLZGP-MJBXVCDLSA-N 1 2 265.401 2.305 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000330962569 377215268 /nfs/dbraw/zinc/21/52/68/377215268.db2.gz CJQRYOKOZLLZGP-MJBXVCDLSA-N 1 2 265.401 2.305 20 30 CEEDLO CCc1ccc(C#CC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000292507187 377250060 /nfs/dbraw/zinc/25/00/60/377250060.db2.gz BLSXVRNOQRXQHQ-CQSZACIVSA-N 1 2 281.359 2.002 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000292729356 377266523 /nfs/dbraw/zinc/26/65/23/377266523.db2.gz GLCMSTIYKBBUHE-MRXNPFEDSA-N 1 2 277.364 2.271 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000292729356 377266529 /nfs/dbraw/zinc/26/65/29/377266529.db2.gz GLCMSTIYKBBUHE-MRXNPFEDSA-N 1 2 277.364 2.271 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563969658 377330687 /nfs/dbraw/zinc/33/06/87/377330687.db2.gz CDYXRESEIBPZFI-CYBMUJFWSA-N 1 2 276.384 2.377 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563969658 377330702 /nfs/dbraw/zinc/33/07/02/377330702.db2.gz CDYXRESEIBPZFI-CYBMUJFWSA-N 1 2 276.384 2.377 20 30 CEEDLO C=CCC1(C(=O)Nc2cc[nH+]cc2CC)CCOCC1 ZINC000424665705 377282807 /nfs/dbraw/zinc/28/28/07/377282807.db2.gz MGMPFUHJMCZXSO-UHFFFAOYSA-N 1 2 274.364 2.377 20 30 CEEDLO C#CCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000264963065 190148000 /nfs/dbraw/zinc/14/80/00/190148000.db2.gz GJRWFOIUQHLZMJ-UHFFFAOYSA-N 1 2 287.388 2.015 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331508045 377455340 /nfs/dbraw/zinc/45/53/40/377455340.db2.gz BXNDQCWBRFOZHD-AVGNSLFASA-N 1 2 287.367 2.339 20 30 CEEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000429365799 377513453 /nfs/dbraw/zinc/51/34/53/377513453.db2.gz JRVOFBKINZVZTG-CZUORRHYSA-N 1 2 291.395 2.463 20 30 CEEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000429365799 377513464 /nfs/dbraw/zinc/51/34/64/377513464.db2.gz JRVOFBKINZVZTG-CZUORRHYSA-N 1 2 291.395 2.463 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000565185954 377594179 /nfs/dbraw/zinc/59/41/79/377594179.db2.gz QRMSTALNILOUCR-TYNCELHUSA-N 1 2 274.368 2.177 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000565185954 377594183 /nfs/dbraw/zinc/59/41/83/377594183.db2.gz QRMSTALNILOUCR-TYNCELHUSA-N 1 2 274.368 2.177 20 30 CEEDLO C[C@H](CC(=O)NCc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000566071339 377719484 /nfs/dbraw/zinc/71/94/84/377719484.db2.gz NCADATWWUSHASM-GFCCVEGCSA-N 1 2 268.320 2.022 20 30 CEEDLO COc1ccc(F)cc1C[NH2+]C[C@H](C#N)CCC#N ZINC000566890918 377780489 /nfs/dbraw/zinc/78/04/89/377780489.db2.gz BCRWNOPLTAJULY-NSHDSACASA-N 1 2 261.300 2.367 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433301906 377785123 /nfs/dbraw/zinc/78/51/23/377785123.db2.gz HBFINUZPRVRAKM-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433301906 377785127 /nfs/dbraw/zinc/78/51/27/377785127.db2.gz HBFINUZPRVRAKM-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000435997235 377814972 /nfs/dbraw/zinc/81/49/72/377814972.db2.gz VYECJJIXMBUREM-CHWSQXEVSA-N 1 2 265.401 2.257 20 30 CEEDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C[C@H](C)C#N ZINC000435997235 377814975 /nfs/dbraw/zinc/81/49/75/377814975.db2.gz VYECJJIXMBUREM-CHWSQXEVSA-N 1 2 265.401 2.257 20 30 CEEDLO Cc1csc2nc(C[N@@H+](C)CC(C)(C)C#N)cc(=O)n12 ZINC000433322716 377788839 /nfs/dbraw/zinc/78/88/39/377788839.db2.gz YUXMCNLPXIBQHB-UHFFFAOYSA-N 1 2 290.392 2.046 20 30 CEEDLO Cc1csc2nc(C[N@H+](C)CC(C)(C)C#N)cc(=O)n12 ZINC000433322716 377788844 /nfs/dbraw/zinc/78/88/44/377788844.db2.gz YUXMCNLPXIBQHB-UHFFFAOYSA-N 1 2 290.392 2.046 20 30 CEEDLO C[C@H](C#N)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000434377225 377797360 /nfs/dbraw/zinc/79/73/60/377797360.db2.gz LWHPFALQLGDFRN-CQSZACIVSA-N 1 2 296.374 2.292 20 30 CEEDLO CC#CC[N@@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000434795558 377801056 /nfs/dbraw/zinc/80/10/56/377801056.db2.gz QMXDISNLBJYVGH-GJZGRUSLSA-N 1 2 257.333 2.388 20 30 CEEDLO CC#CC[N@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000434795558 377801061 /nfs/dbraw/zinc/80/10/61/377801061.db2.gz QMXDISNLBJYVGH-GJZGRUSLSA-N 1 2 257.333 2.388 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@]2(C#N)C[C@@H]2C)c1C ZINC000448825200 378188206 /nfs/dbraw/zinc/18/82/06/378188206.db2.gz SZSCOWIAJKYBGJ-MEDUHNTESA-N 1 2 287.363 2.215 20 30 CEEDLO C=CCC1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000449845972 378237374 /nfs/dbraw/zinc/23/73/74/378237374.db2.gz UNWURBTXVDPDFP-GJZGRUSLSA-N 1 2 294.439 2.348 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1)C[C@@H](C)S(C)(=O)=O ZINC000450228123 378320533 /nfs/dbraw/zinc/32/05/33/378320533.db2.gz SYYRSBUPSHXUKS-CYBMUJFWSA-N 1 2 267.394 2.108 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1)C[C@@H](C)S(C)(=O)=O ZINC000450228123 378320539 /nfs/dbraw/zinc/32/05/39/378320539.db2.gz SYYRSBUPSHXUKS-CYBMUJFWSA-N 1 2 267.394 2.108 20 30 CEEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1nnnn1-c1ccccc1 ZINC000450741307 378556564 /nfs/dbraw/zinc/55/65/64/378556564.db2.gz YIAXPXNQQHWYFX-GFCCVEGCSA-N 1 2 282.351 2.007 20 30 CEEDLO CC#CCN(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000297308687 378680798 /nfs/dbraw/zinc/68/07/98/378680798.db2.gz FIXDMRRBNPZDCK-UHFFFAOYSA-N 1 2 296.374 2.096 20 30 CEEDLO COC(=O)c1cc(C[N@H+](CCC#N)C(C)C)n(C)c1C ZINC000515263740 379200614 /nfs/dbraw/zinc/20/06/14/379200614.db2.gz IZXRDRIYMVZGQG-UHFFFAOYSA-N 1 2 277.368 2.244 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](CCC#N)C(C)C)n(C)c1C ZINC000515263740 379200622 /nfs/dbraw/zinc/20/06/22/379200622.db2.gz IZXRDRIYMVZGQG-UHFFFAOYSA-N 1 2 277.368 2.244 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CSc1ccc(C#N)cc1 ZINC000347533904 218265038 /nfs/dbraw/zinc/26/50/38/218265038.db2.gz XPKNZQNSVATPMF-UHFFFAOYSA-N 1 2 286.360 2.032 20 30 CEEDLO C=CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278909972 194207189 /nfs/dbraw/zinc/20/71/89/194207189.db2.gz ZHKDPCVLHLPSTM-UHFFFAOYSA-N 1 2 288.395 2.294 20 30 CEEDLO C[C@](CO)([NH2+]Cc1ccccc1C#N)c1cccc(O)c1 ZINC000347725314 218335472 /nfs/dbraw/zinc/33/54/72/218335472.db2.gz IZDFWVWCWOZIII-QGZVFWFLSA-N 1 2 282.343 2.261 20 30 CEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC(=O)c2cccn21 ZINC000329894899 284806924 /nfs/dbraw/zinc/80/69/24/284806924.db2.gz KFCWFKOOPJTBBH-WCQYABFASA-N 1 2 298.346 2.174 20 30 CEEDLO C[N@H+](Cc1cc(CO)ccc1F)CC(C)(C)C#N ZINC000528512072 379995869 /nfs/dbraw/zinc/99/58/69/379995869.db2.gz LECRTKOBJMLNQC-UHFFFAOYSA-N 1 2 250.317 2.300 20 30 CEEDLO C[N@@H+](Cc1cc(CO)ccc1F)CC(C)(C)C#N ZINC000528512072 379995871 /nfs/dbraw/zinc/99/58/71/379995871.db2.gz LECRTKOBJMLNQC-UHFFFAOYSA-N 1 2 250.317 2.300 20 30 CEEDLO C=CCC(CC=C)C(=O)NCCNc1cccc[nH+]1 ZINC000268224415 190387407 /nfs/dbraw/zinc/38/74/07/190387407.db2.gz JFGWXHKOFBHTQE-UHFFFAOYSA-N 1 2 259.353 2.378 20 30 CEEDLO COCc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1C#N ZINC000529816592 380188326 /nfs/dbraw/zinc/18/83/26/380188326.db2.gz OWXLZFHWKHABCI-UHFFFAOYSA-N 1 2 298.346 2.320 20 30 CEEDLO Cc1csc(C(C#N)C(=O)Cn2cc[nH+]c2C2CC2)n1 ZINC000530131627 380194816 /nfs/dbraw/zinc/19/48/16/380194816.db2.gz JUNMCIKHYOXRMZ-LLVKDONJSA-N 1 2 286.360 2.402 20 30 CEEDLO CCC[C@H](C#N)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530277978 380200280 /nfs/dbraw/zinc/20/02/80/380200280.db2.gz KGUKPIQYWJIIQU-NWDGAFQWSA-N 1 2 288.395 2.446 20 30 CEEDLO CCC[C@H](C#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530277978 380200283 /nfs/dbraw/zinc/20/02/83/380200283.db2.gz KGUKPIQYWJIIQU-NWDGAFQWSA-N 1 2 288.395 2.446 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000334181111 380249808 /nfs/dbraw/zinc/24/98/08/380249808.db2.gz DWDXHSHNPKPKNU-HNNXBMFYSA-N 1 2 294.358 2.116 20 30 CEEDLO CC[N@@H+](Cc1cnc(N2CCCC2)nc1)C[C@@H](C)C#N ZINC000535788232 380219370 /nfs/dbraw/zinc/21/93/70/380219370.db2.gz SRTAYKBKAHZFNC-ZDUSSCGKSA-N 1 2 273.384 2.058 20 30 CEEDLO CC[N@H+](Cc1cnc(N2CCCC2)nc1)C[C@@H](C)C#N ZINC000535788232 380219378 /nfs/dbraw/zinc/21/93/78/380219378.db2.gz SRTAYKBKAHZFNC-ZDUSSCGKSA-N 1 2 273.384 2.058 20 30 CEEDLO C=CCCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000279058382 194266326 /nfs/dbraw/zinc/26/63/26/194266326.db2.gz BTURTPKSMIRMNQ-ZIAGYGMSSA-N 1 2 276.384 2.442 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548098011 380484204 /nfs/dbraw/zinc/48/42/04/380484204.db2.gz BOBIMFRISNNYKA-GYSYKLTISA-N 1 2 258.321 2.255 20 30 CEEDLO CC#CCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492522300 380587227 /nfs/dbraw/zinc/58/72/27/380587227.db2.gz SVMRMSUPAVKOSP-YFHOEESVSA-N 1 2 279.343 2.415 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/Sc1ccccc1 ZINC000493552405 381052880 /nfs/dbraw/zinc/05/28/80/381052880.db2.gz KRZKPFXAWKHWPG-BOLDSZDNSA-N 1 2 289.404 2.252 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCC#N)C1 ZINC000495937998 381191630 /nfs/dbraw/zinc/19/16/30/381191630.db2.gz XTYJIHMUWGNIOU-AWEZNQCLSA-N 1 2 267.373 2.137 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCC#N)C1 ZINC000495937998 381191638 /nfs/dbraw/zinc/19/16/38/381191638.db2.gz XTYJIHMUWGNIOU-AWEZNQCLSA-N 1 2 267.373 2.137 20 30 CEEDLO C=CC[N@@H+](CN1CCN(C(=O)OC(C)(C)C)C1=O)C1CC1 ZINC000495980624 381192224 /nfs/dbraw/zinc/19/22/24/381192224.db2.gz JQAYRCUDORCWRY-UHFFFAOYSA-N 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C=CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000355771716 394527115 /nfs/dbraw/zinc/52/71/15/394527115.db2.gz XSGXYVJEEMRGPZ-HOCLYGCPSA-N 1 2 294.439 2.348 20 30 CEEDLO N#CCSCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000048809735 394531359 /nfs/dbraw/zinc/53/13/59/394531359.db2.gz HGFSBSJYRPHATR-UHFFFAOYSA-N 1 2 290.323 2.207 20 30 CEEDLO C[C@@H]1C[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)CO1 ZINC000329924903 394594959 /nfs/dbraw/zinc/59/49/59/394594959.db2.gz JLQYXNDBBMLUIS-ZYHUDNBSSA-N 1 2 259.309 2.216 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000265851671 394655088 /nfs/dbraw/zinc/65/50/88/394655088.db2.gz PXJAZMOQYYRYLV-LBPRGKRZSA-N 1 2 270.336 2.371 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000265851671 394655090 /nfs/dbraw/zinc/65/50/90/394655090.db2.gz PXJAZMOQYYRYLV-LBPRGKRZSA-N 1 2 270.336 2.371 20 30 CEEDLO Cc1nnccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330134176 394598916 /nfs/dbraw/zinc/59/89/16/394598916.db2.gz RSRWPDMKCHOHQJ-GFCCVEGCSA-N 1 2 286.339 2.281 20 30 CEEDLO CC(C)[C@H](NC(=O)c1cn(C(C)(C)C)nn1)c1[nH]cc[nH+]1 ZINC000330421173 394607937 /nfs/dbraw/zinc/60/79/37/394607937.db2.gz GWSFCACZTFPPJC-NSHDSACASA-N 1 2 290.371 2.458 20 30 CEEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000334251883 394668960 /nfs/dbraw/zinc/66/89/60/394668960.db2.gz BJOMDVSKWIDRBU-KBPBESRZSA-N 1 2 277.412 2.307 20 30 CEEDLO N#CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000109139086 394733207 /nfs/dbraw/zinc/73/32/07/394733207.db2.gz JPUBLZAASHPNBO-UHFFFAOYSA-N 1 2 296.330 2.131 20 30 CEEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC#N ZINC000267059486 394673414 /nfs/dbraw/zinc/67/34/14/394673414.db2.gz SOSNDRKFTRQKFH-GTNSWQLSSA-N 1 2 250.367 2.330 20 30 CEEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC#N ZINC000267059486 394673418 /nfs/dbraw/zinc/67/34/18/394673418.db2.gz SOSNDRKFTRQKFH-GTNSWQLSSA-N 1 2 250.367 2.330 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000334398787 394681891 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C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000278502892 394830727 /nfs/dbraw/zinc/83/07/27/394830727.db2.gz OGEIDQSKHCOTHY-UHFFFAOYSA-N 1 2 275.264 2.101 20 30 CEEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000278502892 394830732 /nfs/dbraw/zinc/83/07/32/394830732.db2.gz OGEIDQSKHCOTHY-UHFFFAOYSA-N 1 2 275.264 2.101 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000361997539 394841315 /nfs/dbraw/zinc/84/13/15/394841315.db2.gz WFINIDXOWOISMU-ZDUSSCGKSA-N 1 2 292.379 2.157 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000361997539 394841319 /nfs/dbraw/zinc/84/13/19/394841319.db2.gz WFINIDXOWOISMU-ZDUSSCGKSA-N 1 2 292.379 2.157 20 30 CEEDLO C[C@H]1CCN(C(=O)C2(C#N)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000126391612 394845933 /nfs/dbraw/zinc/84/59/33/394845933.db2.gz XKTTYQBLSHAMLK-UONOGXRCSA-N 1 2 286.379 2.377 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000282630416 394921764 /nfs/dbraw/zinc/92/17/64/394921764.db2.gz OBAXPHCNLZCVSR-KGLIPLIRSA-N 1 2 288.395 2.314 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338592105 394924499 /nfs/dbraw/zinc/92/44/99/394924499.db2.gz YBRIFJSVUMJAJU-MLGOLLRUSA-N 1 2 294.345 2.387 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338592105 394924504 /nfs/dbraw/zinc/92/45/04/394924504.db2.gz YBRIFJSVUMJAJU-MLGOLLRUSA-N 1 2 294.345 2.387 20 30 CEEDLO CCc1oc(C[NH2+][C@@H](CC)CC#N)cc1C(=O)OC ZINC000338932251 394933353 /nfs/dbraw/zinc/93/33/53/394933353.db2.gz AIOIEXRRHPUVAA-JTQLQIEISA-N 1 2 264.325 2.410 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2occc2C(C)C)CC1 ZINC000284035778 394940553 /nfs/dbraw/zinc/94/05/53/394940553.db2.gz SMLIINGZGHELKS-UHFFFAOYSA-N 1 2 274.364 2.184 20 30 CEEDLO CC#CCC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000155378031 395027452 /nfs/dbraw/zinc/02/74/52/395027452.db2.gz CXZSUEFAKRXOEZ-UHFFFAOYSA-N 1 2 292.329 2.136 20 30 CEEDLO C#CCCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000155111731 395026019 /nfs/dbraw/zinc/02/60/19/395026019.db2.gz SPPWAWOHPUQJTP-ZDUSSCGKSA-N 1 2 274.368 2.450 20 30 CEEDLO CC#CC[N@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000339766007 394970536 /nfs/dbraw/zinc/97/05/36/394970536.db2.gz LTVMUFXXAHEIRZ-AWEZNQCLSA-N 1 2 276.767 2.400 20 30 CEEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000339766007 394970538 /nfs/dbraw/zinc/97/05/38/394970538.db2.gz LTVMUFXXAHEIRZ-AWEZNQCLSA-N 1 2 276.767 2.400 20 30 CEEDLO Cc1cc(NCc2cccc(N(C)C)c2)c(C#N)c[nH+]1 ZINC000425223461 395051844 /nfs/dbraw/zinc/05/18/44/395051844.db2.gz MPZYGGNLTPIKKU-UHFFFAOYSA-N 1 2 266.348 2.362 20 30 CEEDLO Cc1cc(NCc2nnc(C(C)(C)C)s2)c(C#N)c[nH+]1 ZINC000425229251 395053389 /nfs/dbraw/zinc/05/33/89/395053389.db2.gz BPRLOSYQQSJSGG-UHFFFAOYSA-N 1 2 287.392 2.445 20 30 CEEDLO Cc1cc(NCCc2cc[nH+]cc2C)c(C#N)cn1 ZINC000425245067 395053862 /nfs/dbraw/zinc/05/38/62/395053862.db2.gz IMPPEOKDKIPCSF-UHFFFAOYSA-N 1 2 252.321 2.042 20 30 CEEDLO C#C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)(C)C ZINC000288737553 395065835 /nfs/dbraw/zinc/06/58/35/395065835.db2.gz CUEVJDBCZPDFJU-CYBMUJFWSA-N 1 2 288.395 2.231 20 30 CEEDLO C=CCCCCC[N@@H+](C)Cc1noc(CCOC)n1 ZINC000289718167 395084480 /nfs/dbraw/zinc/08/44/80/395084480.db2.gz GTKQWVMGLDJCOH-UHFFFAOYSA-N 1 2 267.373 2.437 20 30 CEEDLO C=CCCCCC[N@H+](C)Cc1noc(CCOC)n1 ZINC000289718167 395084482 /nfs/dbraw/zinc/08/44/82/395084482.db2.gz GTKQWVMGLDJCOH-UHFFFAOYSA-N 1 2 267.373 2.437 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000156576717 395032489 /nfs/dbraw/zinc/03/24/89/395032489.db2.gz UFYDFHSNMUIWIJ-UONOGXRCSA-N 1 2 291.395 2.484 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000156576717 395032490 /nfs/dbraw/zinc/03/24/90/395032490.db2.gz UFYDFHSNMUIWIJ-UONOGXRCSA-N 1 2 291.395 2.484 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000372315239 395039778 /nfs/dbraw/zinc/03/97/78/395039778.db2.gz KTRUFGLMMZIJLD-DVOMOZLQSA-N 1 2 286.379 2.034 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000287502220 395043309 /nfs/dbraw/zinc/04/33/09/395043309.db2.gz YVNZJJZWHBSPOZ-OAHLLOKOSA-N 1 2 281.359 2.093 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000376049847 395107729 /nfs/dbraw/zinc/10/77/29/395107729.db2.gz GZUATNYSMKKXHG-MRXNPFEDSA-N 1 2 286.379 2.060 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000348710630 395149623 /nfs/dbraw/zinc/14/96/23/395149623.db2.gz OZXHXLTVXAWMQC-UHFFFAOYSA-N 1 2 262.284 2.243 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291626538 395143569 /nfs/dbraw/zinc/14/35/69/395143569.db2.gz CZXYUMSBDDPVSB-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291626538 395143574 /nfs/dbraw/zinc/14/35/74/395143574.db2.gz CZXYUMSBDDPVSB-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C(C)(C)C#N)C[C@H]2C1 ZINC000497146075 395160835 /nfs/dbraw/zinc/16/08/35/395160835.db2.gz IIWHEIPINBVNRC-CHWSQXEVSA-N 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196346461 /nfs/dbraw/zinc/34/64/61/196346461.db2.gz WIVXIRARQWLCCT-UHFFFAOYSA-N 1 2 295.180 2.277 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C1(CO)CC1 ZINC000285619857 196346463 /nfs/dbraw/zinc/34/64/63/196346463.db2.gz WIVXIRARQWLCCT-UHFFFAOYSA-N 1 2 295.180 2.277 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000660704954 414940780 /nfs/dbraw/zinc/94/07/80/414940780.db2.gz JBYJQMMTWBZOCI-OLZOCXBDSA-N 1 2 276.384 2.354 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660882227 415019066 /nfs/dbraw/zinc/01/90/66/415019066.db2.gz VPRSLIVFJMVZPM-GFCCVEGCSA-N 1 2 274.368 2.056 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)nn1 ZINC000657468890 414954137 /nfs/dbraw/zinc/95/41/37/414954137.db2.gz OYVUJZGWSORJJU-WBMJQRKESA-N 1 2 284.363 2.466 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)nn1 ZINC000653593363 415046466 /nfs/dbraw/zinc/04/64/66/415046466.db2.gz ZBQFOCNEDMPTIY-ZDUSSCGKSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2cccnc2)nn1 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C=CCC1(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CCCC1 ZINC000656553148 415761629 /nfs/dbraw/zinc/76/16/29/415761629.db2.gz ZJLIYDHLRXBJJM-CYBMUJFWSA-N 1 2 276.384 2.460 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000656681835 415810873 /nfs/dbraw/zinc/81/08/73/415810873.db2.gz MKDBRMYBWQQLOJ-VXGBXAGGSA-N 1 2 279.409 2.383 20 30 CEEDLO CC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000077250520 177239613 /nfs/dbraw/zinc/23/96/13/177239613.db2.gz PLIIGYYPDHGDJL-CQSZACIVSA-N 1 2 290.363 2.056 20 30 CEEDLO CC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000077250520 177239615 /nfs/dbraw/zinc/23/96/15/177239615.db2.gz PLIIGYYPDHGDJL-CQSZACIVSA-N 1 2 290.363 2.056 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000347397831 226146448 /nfs/dbraw/zinc/14/64/48/226146448.db2.gz ZGMLTUQDXZLTBN-STQMWFEESA-N 1 2 296.798 2.480 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000347397831 226146453 /nfs/dbraw/zinc/14/64/53/226146453.db2.gz 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CCOC(=O)[C@@H](C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000175900025 261628927 /nfs/dbraw/zinc/62/89/27/261628927.db2.gz GLVRFFYPQBZFPC-CNOAHFENSA-N 1 2 265.309 2.019 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000491785165 262045008 /nfs/dbraw/zinc/04/50/08/262045008.db2.gz RXSFDWXBZPYGIX-JTQLQIEISA-N 1 2 278.308 2.066 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000491785165 262045010 /nfs/dbraw/zinc/04/50/10/262045010.db2.gz RXSFDWXBZPYGIX-JTQLQIEISA-N 1 2 278.308 2.066 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000364435126 262239987 /nfs/dbraw/zinc/23/99/87/262239987.db2.gz KDAVYHDFMVKIRG-AWEZNQCLSA-N 1 2 279.343 2.090 20 30 CEEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000186985239 262332891 /nfs/dbraw/zinc/33/28/91/262332891.db2.gz RDXQGNSQQLAFJF-CYBMUJFWSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000186985239 262332892 /nfs/dbraw/zinc/33/28/92/262332892.db2.gz RDXQGNSQQLAFJF-CYBMUJFWSA-N 1 2 285.391 2.150 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)C(C)C ZINC000264708393 262892609 /nfs/dbraw/zinc/89/26/09/262892609.db2.gz DSYXDBIDZJMTHA-CYBMUJFWSA-N 1 2 270.336 2.009 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000273331065 263015583 /nfs/dbraw/zinc/01/55/83/263015583.db2.gz JLHNLMPEOSIALQ-AWDHCAAQSA-N 1 2 292.379 2.212 20 30 CEEDLO N#CC1(c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)CCC1 ZINC000273922145 263020596 /nfs/dbraw/zinc/02/05/96/263020596.db2.gz PPDPLNSKFOKCNQ-UHFFFAOYSA-N 1 2 292.302 2.263 20 30 CEEDLO CC[C@H](CC#N)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000274688796 263029200 /nfs/dbraw/zinc/02/92/00/263029200.db2.gz ZNIXBZLMBVYUFH-LLVKDONJSA-N 1 2 271.324 2.457 20 30 CEEDLO COCC[C@H](C)O[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000275450668 263033268 /nfs/dbraw/zinc/03/32/68/263033268.db2.gz IROBOXRGHSZNEY-VIFPVBQESA-N 1 2 288.294 2.057 20 30 CEEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000280848771 263064547 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ZINC000291687188 263124811 /nfs/dbraw/zinc/12/48/11/263124811.db2.gz MFFSVUTUMVTBJD-UHFFFAOYSA-N 1 2 260.341 2.084 20 30 CEEDLO COCC1(CO[NH+]=C(N)COc2cccc(F)c2)CCC1 ZINC000292039510 263127562 /nfs/dbraw/zinc/12/75/62/263127562.db2.gz YETSRZRVEDUKEZ-UHFFFAOYSA-N 1 2 296.342 2.310 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000292127055 263128661 /nfs/dbraw/zinc/12/86/61/263128661.db2.gz IJKHBSMWXMVLER-CQSZACIVSA-N 1 2 299.374 2.309 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000292127055 263128662 /nfs/dbraw/zinc/12/86/62/263128662.db2.gz IJKHBSMWXMVLER-CQSZACIVSA-N 1 2 299.374 2.309 20 30 CEEDLO C=C(C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000452717515 263136061 /nfs/dbraw/zinc/13/60/61/263136061.db2.gz LKXJFYUSWYWUAP-UHFFFAOYSA-N 1 2 288.391 2.215 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCCC#N ZINC000293463109 263140914 /nfs/dbraw/zinc/14/09/14/263140914.db2.gz WOWHNMVFZDDNLD-UHFFFAOYSA-N 1 2 276.384 2.378 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000299174232 263233746 /nfs/dbraw/zinc/23/37/46/263233746.db2.gz VJDJCERFOGYBCH-ZWNOBZJWSA-N 1 2 252.745 2.465 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000299174232 263233748 /nfs/dbraw/zinc/23/37/48/263233748.db2.gz VJDJCERFOGYBCH-ZWNOBZJWSA-N 1 2 252.745 2.465 20 30 CEEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000299167034 263232797 /nfs/dbraw/zinc/23/27/97/263232797.db2.gz PFTRQKGFHRHULJ-RBSFLKMASA-N 1 2 287.407 2.386 20 30 CEEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000299167034 263232799 /nfs/dbraw/zinc/23/27/99/263232799.db2.gz PFTRQKGFHRHULJ-RBSFLKMASA-N 1 2 287.407 2.386 20 30 CEEDLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000299171757 263233627 /nfs/dbraw/zinc/23/36/27/263233627.db2.gz STHUHQDXCXQIHD-MCIONIFRSA-N 1 2 273.380 2.344 20 30 CEEDLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000299171757 263233628 /nfs/dbraw/zinc/23/36/28/263233628.db2.gz STHUHQDXCXQIHD-MCIONIFRSA-N 1 2 273.380 2.344 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341704885 263347195 /nfs/dbraw/zinc/34/71/95/263347195.db2.gz HHUNMIZFYJFHTN-AWEZNQCLSA-N 1 2 284.363 2.289 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341704886 263347198 /nfs/dbraw/zinc/34/71/98/263347198.db2.gz HHUNMIZFYJFHTN-CQSZACIVSA-N 1 2 284.363 2.289 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341885102 263363154 /nfs/dbraw/zinc/36/31/54/263363154.db2.gz TYXDPOVVBXDNBZ-CQSZACIVSA-N 1 2 286.441 2.073 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341885102 263363156 /nfs/dbraw/zinc/36/31/56/263363156.db2.gz TYXDPOVVBXDNBZ-CQSZACIVSA-N 1 2 286.441 2.073 20 30 CEEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCC(C)(C)C#N)CC1 ZINC000342002452 263375884 /nfs/dbraw/zinc/37/58/84/263375884.db2.gz JXOHNGNAFDSRQT-CYBMUJFWSA-N 1 2 297.468 2.212 20 30 CEEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCC(C)(C)C#N)CC1 ZINC000342002453 263375894 /nfs/dbraw/zinc/37/58/94/263375894.db2.gz JXOHNGNAFDSRQT-ZDUSSCGKSA-N 1 2 297.468 2.212 20 30 CEEDLO C=C1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000341989857 263382358 /nfs/dbraw/zinc/38/23/58/263382358.db2.gz BCYVDQWOEHRSCL-KGLIPLIRSA-N 1 2 250.386 2.333 20 30 CEEDLO CO[C@@H]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328983566 263911960 /nfs/dbraw/zinc/91/19/60/263911960.db2.gz FQZAEIVIGWXKGQ-UONOGXRCSA-N 1 2 296.411 2.013 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000330604227 263983893 /nfs/dbraw/zinc/98/38/93/263983893.db2.gz LAIKWURLJWZUCB-CHWSQXEVSA-N 1 2 294.399 2.110 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000330828449 264048748 /nfs/dbraw/zinc/04/87/48/264048748.db2.gz JDKLKSWNIRJOAG-BXKDBHETSA-N 1 2 279.290 2.185 20 30 CEEDLO Cc1cccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000330851009 264068029 /nfs/dbraw/zinc/06/80/29/264068029.db2.gz QGYVEHRXMFVPQM-JSGCOSHPSA-N 1 2 257.337 2.215 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@H](CO)CCC(C)(C)C)c[nH+]1 ZINC000331070123 264112945 /nfs/dbraw/zinc/11/29/45/264112945.db2.gz IADSLAFXSCQNKZ-JTQLQIEISA-N 1 2 253.346 2.210 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCSC1 ZINC000331136845 264135120 /nfs/dbraw/zinc/13/51/20/264135120.db2.gz DATUFMLNJSWANY-GFCCVEGCSA-N 1 2 296.440 2.438 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)CCO)c(C)[nH+]1 ZINC000331251136 264181234 /nfs/dbraw/zinc/18/12/34/264181234.db2.gz ZOWMYEQRFRSJCU-SECBINFHSA-N 1 2 251.330 2.104 20 30 CEEDLO C=CCC(C)(C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000292984506 264905377 /nfs/dbraw/zinc/90/53/77/264905377.db2.gz IBVRQZQLENWYMZ-UHFFFAOYSA-N 1 2 272.356 2.259 20 30 CEEDLO C=CCC[C@H](C)[NH2+][C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000294049114 265005415 /nfs/dbraw/zinc/00/54/15/265005415.db2.gz WXXLGGLTWPIGSD-DZKIICNBSA-N 1 2 291.391 2.424 20 30 CEEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356781612 266174036 /nfs/dbraw/zinc/17/40/36/266174036.db2.gz TXOMXXSXQDTSSM-VXGBXAGGSA-N 1 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272.377 2.412 20 30 CEEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)o1 ZINC000429836869 268201455 /nfs/dbraw/zinc/20/14/55/268201455.db2.gz CVZVFFFMHOUZID-UHFFFAOYSA-N 1 2 296.330 2.076 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1ncc2c(c1C#N)CCC2 ZINC000425241278 271144514 /nfs/dbraw/zinc/14/45/14/271144514.db2.gz PVWHLFZILSBMPV-UHFFFAOYSA-N 1 2 281.363 2.165 20 30 CEEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1cc(C#N)ccn1)C2 ZINC000283942132 276066145 /nfs/dbraw/zinc/06/61/45/276066145.db2.gz YAJKZSVBBPLVPK-UHFFFAOYSA-N 1 2 281.363 2.373 20 30 CEEDLO CC1=CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000280950081 276178720 /nfs/dbraw/zinc/17/87/20/276178720.db2.gz XFZSDKDGOIDVNG-CYBMUJFWSA-N 1 2 287.388 2.377 20 30 CEEDLO CC1=CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000280950081 276178722 /nfs/dbraw/zinc/17/87/22/276178722.db2.gz XFZSDKDGOIDVNG-CYBMUJFWSA-N 1 2 287.388 2.377 20 30 CEEDLO C=CCCS(=O)(=O)N1C[C@H](C)[NH2+]Cc2ccc(F)cc21 ZINC000334986507 276885871 /nfs/dbraw/zinc/88/58/71/276885871.db2.gz 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/nfs/dbraw/zinc/12/21/14/332122114.db2.gz RWLXOALATKVETL-JYJNAYRXSA-N 1 2 297.464 2.325 20 30 CEEDLO C#CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490866662 332122116 /nfs/dbraw/zinc/12/21/16/332122116.db2.gz RWLXOALATKVETL-JYJNAYRXSA-N 1 2 297.464 2.325 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491277399 332179635 /nfs/dbraw/zinc/17/96/35/332179635.db2.gz OIMYJSLDULLENZ-AWEZNQCLSA-N 1 2 296.374 2.095 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491307099 332186789 /nfs/dbraw/zinc/18/67/89/332186789.db2.gz PBTHRBBHQWERGC-AWEZNQCLSA-N 1 2 297.362 2.250 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000491328045 332191703 /nfs/dbraw/zinc/19/17/03/332191703.db2.gz ZYSQPNIKZNIAJD-CYBMUJFWSA-N 1 2 284.363 2.056 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000491525736 332230212 /nfs/dbraw/zinc/23/02/12/332230212.db2.gz UXUGAVFQJBJWHV-NSHDSACASA-N 1 2 299.399 2.363 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000491525736 332230214 /nfs/dbraw/zinc/23/02/14/332230214.db2.gz UXUGAVFQJBJWHV-NSHDSACASA-N 1 2 299.399 2.363 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491569426 332240250 /nfs/dbraw/zinc/24/02/50/332240250.db2.gz VYXVHVJIERJYJS-JKEYDSJLSA-N 1 2 279.343 2.366 20 30 CEEDLO C#CCn1ccc(CN(CC)c2[nH+]c(C)nc3[nH]ccc32)n1 ZINC000491746309 332323971 /nfs/dbraw/zinc/32/39/71/332323971.db2.gz UVAJCUWKYCKHDN-UHFFFAOYSA-N 1 2 294.362 2.123 20 30 CEEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000491750091 332326902 /nfs/dbraw/zinc/32/69/02/332326902.db2.gz ULTGRLXUAMPCKL-HZPDHXFCSA-N 1 2 282.387 2.129 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493255542 332432702 /nfs/dbraw/zinc/43/27/02/332432702.db2.gz NMARNLMPVDAAGV-WAYWQWQTSA-N 1 2 260.341 2.211 20 30 CEEDLO N#C[C@H]1[N@H+](CCC2(O)CCC2)CCC[C@]12CCCCO2 ZINC000517085965 333092452 /nfs/dbraw/zinc/09/24/52/333092452.db2.gz RMCXNUMHUBEBGK-GDBMZVCRSA-N 1 2 278.396 2.219 20 30 CEEDLO N#C[C@H]1[N@@H+](CCC2(O)CCC2)CCC[C@]12CCCCO2 ZINC000517085965 333092453 /nfs/dbraw/zinc/09/24/53/333092453.db2.gz RMCXNUMHUBEBGK-GDBMZVCRSA-N 1 2 278.396 2.219 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000517211114 333094897 /nfs/dbraw/zinc/09/48/97/333094897.db2.gz PCGXAMDEWDTQJE-GOSISDBHSA-N 1 2 299.418 2.068 20 30 CEEDLO C=C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000575925923 335132026 /nfs/dbraw/zinc/13/20/26/335132026.db2.gz FHTXLNICCURQJC-PBHICJAKSA-N 1 2 285.391 2.306 20 30 CEEDLO Cn1c(C[NH+]2CCC(CC#N)CC2)nc2ccccc2c1=O ZINC000543812023 333901698 /nfs/dbraw/zinc/90/16/98/333901698.db2.gz ZGYVWNWFSNLJCR-UHFFFAOYSA-N 1 2 296.374 2.059 20 30 CEEDLO Cc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000576230545 335174842 /nfs/dbraw/zinc/17/48/42/335174842.db2.gz GGHNZJNNVFXDKZ-OAHLLOKOSA-N 1 2 293.798 2.151 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)C#N ZINC000548120370 334140867 /nfs/dbraw/zinc/14/08/67/334140867.db2.gz DTQHXHJYYSBRKR-NSHDSACASA-N 1 2 270.336 2.011 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000564352719 334159520 /nfs/dbraw/zinc/15/95/20/334159520.db2.gz SXDSKUGCOJPFNG-ZBFHGGJFSA-N 1 2 299.374 2.354 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(CCCC)CCCC ZINC000550491531 334223388 /nfs/dbraw/zinc/22/33/88/334223388.db2.gz NXSJETYHUZDPSJ-UHFFFAOYSA-N 1 2 252.402 2.370 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(CCCC)CCCC ZINC000550491531 334223389 /nfs/dbraw/zinc/22/33/89/334223389.db2.gz NXSJETYHUZDPSJ-UHFFFAOYSA-N 1 2 252.402 2.370 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2o1 ZINC000564394247 334341572 /nfs/dbraw/zinc/34/15/72/334341572.db2.gz GIDPLWIBYUAYGY-HNNXBMFYSA-N 1 2 271.320 2.006 20 30 CEEDLO N#CCN1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000092936102 334438703 /nfs/dbraw/zinc/43/87/03/334438703.db2.gz MUKMKGBBLGEQOS-UHFFFAOYSA-N 1 2 273.311 2.213 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576289903 335184581 /nfs/dbraw/zinc/18/45/81/335184581.db2.gz SLBMDVXBXPSOMG-WDEREUQCSA-N 1 2 290.323 2.204 20 30 CEEDLO CCn1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2ccccc21 ZINC000576403147 335199474 /nfs/dbraw/zinc/19/94/74/335199474.db2.gz QLHXFADRCWPVOZ-QGZVFWFLSA-N 1 2 298.390 2.235 20 30 CEEDLO C=CCc1cc(CNc2c[nH]c[nH+]2)cc(OC)c1O ZINC000576438899 335203662 /nfs/dbraw/zinc/20/36/62/335203662.db2.gz XCHJUOSRTGZKNF-UHFFFAOYSA-N 1 2 259.309 2.465 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000577136006 335306994 /nfs/dbraw/zinc/30/69/94/335306994.db2.gz IBWAQNFDEILIQO-CYBMUJFWSA-N 1 2 268.364 2.494 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000580688276 335323410 /nfs/dbraw/zinc/32/34/10/335323410.db2.gz ZDOPTPKAHVFJMV-UHFFFAOYSA-N 1 2 252.321 2.470 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000577290339 335336069 /nfs/dbraw/zinc/33/60/69/335336069.db2.gz KSGCVKCKTRILOP-SECBINFHSA-N 1 2 285.800 2.300 20 30 CEEDLO C=CC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177792138 335402884 /nfs/dbraw/zinc/40/28/84/335402884.db2.gz KMKOBYVLSILDRA-UHFFFAOYSA-N 1 2 284.363 2.442 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000581406428 336069964 /nfs/dbraw/zinc/06/99/64/336069964.db2.gz IIKMXABQGHUFGL-UHFFFAOYSA-N 1 2 252.321 2.266 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000582011526 336191723 /nfs/dbraw/zinc/19/17/23/336191723.db2.gz GFIUKBCFGIAURQ-CYBMUJFWSA-N 1 2 280.393 2.262 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)CC#N)c1 ZINC000344987808 534241915 /nfs/dbraw/zinc/24/19/15/534241915.db2.gz GJNOOETWQJRGOR-LBPRGKRZSA-N 1 2 268.320 2.213 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069069591 518761807 /nfs/dbraw/zinc/76/18/07/518761807.db2.gz SFUYSSRQMHCVIH-ZDUSSCGKSA-N 1 2 262.353 2.473 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069069591 518761813 /nfs/dbraw/zinc/76/18/13/518761813.db2.gz SFUYSSRQMHCVIH-ZDUSSCGKSA-N 1 2 262.353 2.473 20 30 CEEDLO C=C(Cl)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728739 534438045 /nfs/dbraw/zinc/43/80/45/534438045.db2.gz RFSJGQVUXGJNBL-UHFFFAOYSA-N 1 2 261.756 2.433 20 30 CEEDLO Cc1cn2cc(NC(=O)N[C@]3(C)CCCOC3)ccc2[nH+]1 ZINC000329141094 534516481 /nfs/dbraw/zinc/51/64/81/534516481.db2.gz JZBXISDTDNLNHM-OAHLLOKOSA-N 1 2 288.351 2.347 20 30 CEEDLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000411131991 534534844 /nfs/dbraw/zinc/53/48/44/534534844.db2.gz KGYXOOBTKCOXSQ-SNVBAGLBSA-N 1 2 255.325 2.178 20 30 CEEDLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000411131991 534534855 /nfs/dbraw/zinc/53/48/55/534534855.db2.gz KGYXOOBTKCOXSQ-SNVBAGLBSA-N 1 2 255.325 2.178 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC000336603259 534690744 /nfs/dbraw/zinc/69/07/44/534690744.db2.gz YUJRBSMOXSJOLI-TZMCWYRMSA-N 1 2 296.374 2.495 20 30 CEEDLO Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)c1 ZINC000336233557 534707633 /nfs/dbraw/zinc/70/76/33/534707633.db2.gz DJLSBMXSIRYVMX-CRAIPNDOSA-N 1 2 297.402 2.189 20 30 CEEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000235781346 525424598 /nfs/dbraw/zinc/42/45/98/525424598.db2.gz LGXDAGLPIORDQZ-UHFFFAOYSA-N 1 2 287.344 2.371 20 30 CEEDLO Cc1ccnc(N(C)Cc2cn3c([nH+]2)CCCC3)c1C#N ZINC000365042083 525664525 /nfs/dbraw/zinc/66/45/25/525664525.db2.gz IJHQCXQTHGDVNJ-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO C=C(C)CC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000351992675 526446428 /nfs/dbraw/zinc/44/64/28/526446428.db2.gz DTEBOCRBSKJFIM-UHFFFAOYSA-N 1 2 262.328 2.441 20 30 CEEDLO C=C(C)CC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000351992675 526446431 /nfs/dbraw/zinc/44/64/31/526446431.db2.gz DTEBOCRBSKJFIM-UHFFFAOYSA-N 1 2 262.328 2.441 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1F ZINC000364713970 526611328 /nfs/dbraw/zinc/61/13/28/526611328.db2.gz BILKBEHEGUOAJA-UHFFFAOYSA-N 1 2 285.326 2.195 20 30 CEEDLO CC(=O)N1CC[C@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000329043721 526660267 /nfs/dbraw/zinc/66/02/67/526660267.db2.gz PAQIYPGJEFOYNV-LBPRGKRZSA-N 1 2 286.335 2.099 20 30 CEEDLO C=CC[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345016035 527131791 /nfs/dbraw/zinc/13/17/91/527131791.db2.gz SMSRDECIBVEOAW-CMPLNLGQSA-N 1 2 262.357 2.135 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C#N)CCC1)C2 ZINC000336072220 528323573 /nfs/dbraw/zinc/32/35/73/528323573.db2.gz UZYDZQYMNOIJTN-LLVKDONJSA-N 1 2 286.379 2.200 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C#N)CCC1)CC2 ZINC000336072220 528323577 /nfs/dbraw/zinc/32/35/77/528323577.db2.gz UZYDZQYMNOIJTN-LLVKDONJSA-N 1 2 286.379 2.200 20 30 CEEDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)c1cccc(C#N)c1 ZINC000442895471 528868333 /nfs/dbraw/zinc/86/83/33/528868333.db2.gz DYCVLGIRNOWRSY-GFCCVEGCSA-N 1 2 269.352 2.270 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)c1cccc(C#N)c1 ZINC000442895471 528868338 /nfs/dbraw/zinc/86/83/38/528868338.db2.gz DYCVLGIRNOWRSY-GFCCVEGCSA-N 1 2 269.352 2.270 20 30 CEEDLO CCN1CCN(C(=O)Nc2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330059477 529135996 /nfs/dbraw/zinc/13/59/96/529135996.db2.gz KZGWBBILTICZQJ-AWEZNQCLSA-N 1 2 299.378 2.334 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000726882754 574431552 /nfs/dbraw/zinc/43/15/52/574431552.db2.gz SLQUPXJUFACHQN-HNNXBMFYSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000726882754 574431553 /nfs/dbraw/zinc/43/15/53/574431553.db2.gz SLQUPXJUFACHQN-HNNXBMFYSA-N 1 2 290.338 2.425 20 30 CEEDLO CN(C)c1ccc(C=[NH+]Nc2cnccn2)cc1F ZINC000727651180 574454076 /nfs/dbraw/zinc/45/40/76/574454076.db2.gz LTEXZWWINOAWBL-UHFFFAOYSA-N 1 2 259.288 2.128 20 30 CEEDLO C=CCNC(=O)N(CCCCCC)CC[NH+]1CCOCC1 ZINC000729580887 574489665 /nfs/dbraw/zinc/48/96/65/574489665.db2.gz DKWGKYLITBKFCO-UHFFFAOYSA-N 1 2 297.443 2.097 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)s1 ZINC000730096565 574501476 /nfs/dbraw/zinc/50/14/76/574501476.db2.gz WLUBXDCRMUFYDQ-LBPRGKRZSA-N 1 2 296.823 2.458 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(Cl)s1 ZINC000730096565 574501477 /nfs/dbraw/zinc/50/14/77/574501477.db2.gz WLUBXDCRMUFYDQ-LBPRGKRZSA-N 1 2 296.823 2.458 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1c(F)cccc1F ZINC000730277679 574513263 /nfs/dbraw/zinc/51/32/63/574513263.db2.gz VPZXLAQTFPLSNL-RISCZKNCSA-N 1 2 292.329 2.240 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1c(F)cccc1F ZINC000730277679 574513264 /nfs/dbraw/zinc/51/32/64/574513264.db2.gz VPZXLAQTFPLSNL-RISCZKNCSA-N 1 2 292.329 2.240 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(CC)CC2 ZINC000730284817 574513764 /nfs/dbraw/zinc/51/37/64/574513764.db2.gz REABXHMARCUUQX-INIZCTEOSA-N 1 2 297.402 2.105 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(CC)CC2 ZINC000730284817 574513765 /nfs/dbraw/zinc/51/37/65/574513765.db2.gz REABXHMARCUUQX-INIZCTEOSA-N 1 2 297.402 2.105 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC=C)c1 ZINC000730279829 574513355 /nfs/dbraw/zinc/51/33/55/574513355.db2.gz IYVUDZDGLAPQHR-INIZCTEOSA-N 1 2 284.359 2.288 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC=C)c1 ZINC000730279829 574513356 /nfs/dbraw/zinc/51/33/56/574513356.db2.gz IYVUDZDGLAPQHR-INIZCTEOSA-N 1 2 284.359 2.288 20 30 CEEDLO CC#CCCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000760282745 574517725 /nfs/dbraw/zinc/51/77/25/574517725.db2.gz CGVFBBGLSYGDSQ-CQSZACIVSA-N 1 2 271.360 2.390 20 30 CEEDLO CC#CCCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000760282745 574517726 /nfs/dbraw/zinc/51/77/26/574517726.db2.gz CGVFBBGLSYGDSQ-CQSZACIVSA-N 1 2 271.360 2.390 20 30 CEEDLO Cc1sc2ncnc(N=NCc3[nH]cc[nH+]3)c2c1C ZINC000731149288 574589970 /nfs/dbraw/zinc/58/99/70/574589970.db2.gz SBUBZNOSERNMBS-UHFFFAOYSA-N 1 2 272.337 2.477 20 30 CEEDLO COc1cccc(/C=[NH+]\CCC(=O)OC(C)C)c1O ZINC000732769812 574629701 /nfs/dbraw/zinc/62/97/01/574629701.db2.gz OFPCIZDQCRXISP-DHDCSXOGSA-N 1 2 265.309 2.161 20 30 CEEDLO Cc1sc2ncnc(N=NCc3c[nH+]cn3C)c2c1C ZINC000755521134 574699533 /nfs/dbraw/zinc/69/95/33/574699533.db2.gz NKXZQAVYCKRCTA-UHFFFAOYSA-N 1 2 286.364 2.488 20 30 CEEDLO C=CC[C@H](NC(=O)CCn1cc[nH+]c1)c1ccncc1 ZINC000734461282 574715686 /nfs/dbraw/zinc/71/56/86/574715686.db2.gz UVRFHACCLHVXPR-AWEZNQCLSA-N 1 2 270.336 2.102 20 30 CEEDLO CN(C)c1ccc(C=[NH+]Nc2ccnc(N(C)C)n2)cc1 ZINC000739414504 574917063 /nfs/dbraw/zinc/91/70/63/574917063.db2.gz YUQUFVZOJCVZNV-UHFFFAOYSA-N 1 2 284.367 2.055 20 30 CEEDLO C=C(Cl)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000743620116 575107459 /nfs/dbraw/zinc/10/74/59/575107459.db2.gz BEXVVIJOXRYPGZ-UHFFFAOYSA-N 1 2 270.764 2.091 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cnn(-c2ccccc2)c1 ZINC000743854613 575111132 /nfs/dbraw/zinc/11/11/32/575111132.db2.gz FTCVUPZUCRRWNW-UHFFFAOYSA-N 1 2 263.344 2.331 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cnn(-c2ccccc2)c1 ZINC000743854613 575111133 /nfs/dbraw/zinc/11/11/33/575111133.db2.gz FTCVUPZUCRRWNW-UHFFFAOYSA-N 1 2 263.344 2.331 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000746487747 575157307 /nfs/dbraw/zinc/15/73/07/575157307.db2.gz UDBVYUQGTQPPJU-MRXNPFEDSA-N 1 2 289.350 2.405 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000746487747 575157309 /nfs/dbraw/zinc/15/73/09/575157309.db2.gz UDBVYUQGTQPPJU-MRXNPFEDSA-N 1 2 289.350 2.405 20 30 CEEDLO C[N@H+](CC(F)F)C1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000749361527 575215803 /nfs/dbraw/zinc/21/58/03/575215803.db2.gz ADYKINKLXVXQSS-GFCCVEGCSA-N 1 2 284.354 2.091 20 30 CEEDLO C[N@@H+](CC(F)F)C1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000749361527 575215804 /nfs/dbraw/zinc/21/58/04/575215804.db2.gz ADYKINKLXVXQSS-GFCCVEGCSA-N 1 2 284.354 2.091 20 30 CEEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NC ZINC000750046558 575244429 /nfs/dbraw/zinc/24/44/29/575244429.db2.gz CXSRBOOTELBVKE-UHFFFAOYSA-N 1 2 298.308 2.125 20 30 CEEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NC ZINC000750046558 575244431 /nfs/dbraw/zinc/24/44/31/575244431.db2.gz CXSRBOOTELBVKE-UHFFFAOYSA-N 1 2 298.308 2.125 20 30 CEEDLO C#CCOc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1 ZINC000753014289 575317867 /nfs/dbraw/zinc/31/78/67/575317867.db2.gz BNQLVLWNAAUDSJ-UHFFFAOYSA-N 1 2 295.342 2.412 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC)C1 ZINC000964526722 613235371 /nfs/dbraw/zinc/23/53/71/613235371.db2.gz HBUUAMGFSXALLE-ONGXEEELSA-N 1 2 289.217 2.132 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC)C1 ZINC000964526722 613235373 /nfs/dbraw/zinc/23/53/73/613235373.db2.gz HBUUAMGFSXALLE-ONGXEEELSA-N 1 2 289.217 2.132 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2sccc2C)C1 ZINC000949576399 612993334 /nfs/dbraw/zinc/99/33/34/612993334.db2.gz SYVYMIYNGIVPKQ-UHFFFAOYSA-N 1 2 276.405 2.226 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC000950486775 613294413 /nfs/dbraw/zinc/29/44/13/613294413.db2.gz LWOOIGWDAYDIRG-CVEARBPZSA-N 1 2 294.439 2.156 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccncc2C)C1 ZINC000950016987 613296775 /nfs/dbraw/zinc/29/67/75/613296775.db2.gz NTUKKPBUTQUGQR-UHFFFAOYSA-N 1 2 273.380 2.112 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000957479552 613315597 /nfs/dbraw/zinc/31/55/97/613315597.db2.gz DCFFPBPNUBBJIC-UHFFFAOYSA-N 1 2 274.355 2.388 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C)cc2F)CC1 ZINC000950703798 613320645 /nfs/dbraw/zinc/32/06/45/613320645.db2.gz YSGAMXLRHWXDNK-UHFFFAOYSA-N 1 2 276.355 2.468 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000949869561 613321250 /nfs/dbraw/zinc/32/12/50/613321250.db2.gz KHMTYGOOPRWXSW-UHFFFAOYSA-N 1 2 274.364 2.491 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccn(C)c2C)C1 ZINC000970391993 613372448 /nfs/dbraw/zinc/37/24/48/613372448.db2.gz WZJXEZVDPUSLMU-NSHDSACASA-N 1 2 295.814 2.136 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000966900566 613375765 /nfs/dbraw/zinc/37/57/65/613375765.db2.gz VAXLKIQNMQBDCN-BXKDBHETSA-N 1 2 299.827 2.336 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000966900566 613375766 /nfs/dbraw/zinc/37/57/66/613375766.db2.gz VAXLKIQNMQBDCN-BXKDBHETSA-N 1 2 299.827 2.336 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC000957068190 613654817 /nfs/dbraw/zinc/65/48/17/613654817.db2.gz QAXLPAJNDGUBLU-DZGCQCFKSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H](CCC)C2)C1 ZINC000957040618 613655569 /nfs/dbraw/zinc/65/55/69/613655569.db2.gz APVLATAWVWDTSK-HOCLYGCPSA-N 1 2 294.439 2.300 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(C(F)F)c2)CC1 ZINC000949265898 613709239 /nfs/dbraw/zinc/70/92/39/613709239.db2.gz KXBQZUKGJQGYBG-UHFFFAOYSA-N 1 2 294.345 2.497 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000950891902 613709386 /nfs/dbraw/zinc/70/93/86/613709386.db2.gz VJQNNOIJJVWZKX-UHFFFAOYSA-N 1 2 272.392 2.122 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(Cl)s2)CC1 ZINC000951555940 613709458 /nfs/dbraw/zinc/70/94/58/613709458.db2.gz NQDQVJXRSSSCFP-UHFFFAOYSA-N 1 2 284.812 2.274 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N3CC=CC3)cc2)CC1 ZINC000950457160 613716314 /nfs/dbraw/zinc/71/63/14/613716314.db2.gz HESUWMJSNYJGDV-UHFFFAOYSA-N 1 2 297.402 2.007 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cncc3sccc32)CC1 ZINC000949824180 613718245 /nfs/dbraw/zinc/71/82/45/613718245.db2.gz DHMLGOMTTKQQNG-UHFFFAOYSA-N 1 2 287.388 2.240 20 30 CEEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)C(C)(C)C1 ZINC000977565341 613830103 /nfs/dbraw/zinc/83/01/03/613830103.db2.gz XAODQULUYQBSTK-AWEZNQCLSA-N 1 2 298.390 2.189 20 30 CEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)C(C)(C)C1 ZINC000977565341 613830105 /nfs/dbraw/zinc/83/01/05/613830105.db2.gz XAODQULUYQBSTK-AWEZNQCLSA-N 1 2 298.390 2.189 20 30 CEEDLO CC(=O)N[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC000972703389 614171085 /nfs/dbraw/zinc/17/10/85/614171085.db2.gz QPFZTFGMPXIETO-HNNXBMFYSA-N 1 2 289.354 2.044 20 30 CEEDLO CC(=O)N[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC000972703389 614171086 /nfs/dbraw/zinc/17/10/86/614171086.db2.gz QPFZTFGMPXIETO-HNNXBMFYSA-N 1 2 289.354 2.044 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccncc1 ZINC001024301377 625500646 /nfs/dbraw/zinc/50/06/46/625500646.db2.gz AOXZZKNNGSMEFN-CQSZACIVSA-N 1 2 293.798 2.418 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccncc1 ZINC001024301377 625500653 /nfs/dbraw/zinc/50/06/53/625500653.db2.gz AOXZZKNNGSMEFN-CQSZACIVSA-N 1 2 293.798 2.418 20 30 CEEDLO C=CC[C@H]1CCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000890549198 622587258 /nfs/dbraw/zinc/58/72/58/622587258.db2.gz ITNGDIWABBPYMR-LBPRGKRZSA-N 1 2 283.331 2.369 20 30 CEEDLO Clc1ccc(C#CC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000177121870 625596674 /nfs/dbraw/zinc/59/66/74/625596674.db2.gz OQECKPSWBMUXRE-UHFFFAOYSA-N 1 2 277.751 2.140 20 30 CEEDLO Clc1ccc(C#CC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000177121870 625596684 /nfs/dbraw/zinc/59/66/84/625596684.db2.gz OQECKPSWBMUXRE-UHFFFAOYSA-N 1 2 277.751 2.140 20 30 CEEDLO CC(C)(C)OCCO[NH+]=C(N)Cc1ccccc1 ZINC000050957194 623341888 /nfs/dbraw/zinc/34/18/88/623341888.db2.gz YWDYKSPNSLXGKF-UHFFFAOYSA-N 1 2 250.342 2.333 20 30 CEEDLO CC1(CO[NH+]=C(N)c2ccc(Cl)cc2)COC1 ZINC000742353106 623390483 /nfs/dbraw/zinc/39/04/83/623390483.db2.gz PNVPKCCTWCNYSL-UHFFFAOYSA-N 1 2 254.717 2.013 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1c[nH+]cn1C ZINC000290066961 623575346 /nfs/dbraw/zinc/57/53/46/623575346.db2.gz CAANLNADNYHPNW-LLVKDONJSA-N 1 2 299.334 2.033 20 30 CEEDLO CCc1cc(NCCNc2ccc(C#N)cn2)nc(CC)[nH+]1 ZINC000891749800 623942313 /nfs/dbraw/zinc/94/23/13/623942313.db2.gz XXDNNPOACWUVAK-UHFFFAOYSA-N 1 2 296.378 2.392 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001024605698 625708732 /nfs/dbraw/zinc/70/87/32/625708732.db2.gz BCOBZTANQJJQRG-UHTWSYAYSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001024605698 625708734 /nfs/dbraw/zinc/70/87/34/625708734.db2.gz BCOBZTANQJJQRG-UHTWSYAYSA-N 1 2 270.804 2.366 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000934469463 624515847 /nfs/dbraw/zinc/51/58/47/624515847.db2.gz CSGKWJZPWUGVFL-AWEZNQCLSA-N 1 2 254.337 2.418 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000934469463 624515848 /nfs/dbraw/zinc/51/58/48/624515848.db2.gz CSGKWJZPWUGVFL-AWEZNQCLSA-N 1 2 254.337 2.418 20 30 CEEDLO C#CCSCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000161531436 624777400 /nfs/dbraw/zinc/77/74/00/624777400.db2.gz FUWCIGZMPHYWOK-UHFFFAOYSA-N 1 2 289.408 2.360 20 30 CEEDLO C=CC(C)(C)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000892518176 625881475 /nfs/dbraw/zinc/88/14/75/625881475.db2.gz ZLUBPNSBPSEQMS-UHFFFAOYSA-N 1 2 277.368 2.471 20 30 CEEDLO C=CCCCCC[N@@H+](C)Cn1nnc(-c2cscn2)n1 ZINC000902156270 634503120 /nfs/dbraw/zinc/50/31/20/634503120.db2.gz FCOFSRFCEIOQDB-UHFFFAOYSA-N 1 2 292.412 2.432 20 30 CEEDLO C=CCCCCC[N@H+](C)Cn1nnc(-c2cscn2)n1 ZINC000902156270 634503128 /nfs/dbraw/zinc/50/31/28/634503128.db2.gz FCOFSRFCEIOQDB-UHFFFAOYSA-N 1 2 292.412 2.432 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(CC)cn1 ZINC000902244563 634548084 /nfs/dbraw/zinc/54/80/84/634548084.db2.gz IETPLQYKOPDTMA-UHFFFAOYSA-N 1 2 269.348 2.205 20 30 CEEDLO CNC(=S)N(C)[NH+]=Cc1ccccc1N1CCCCC1 ZINC000841648292 627745342 /nfs/dbraw/zinc/74/53/42/627745342.db2.gz BMGSIZURQPWVEZ-UHFFFAOYSA-N 1 2 290.436 2.447 20 30 CEEDLO CSc1ccc(C[NH2+][C@H](C)c2cnn(C)n2)cc1C#N ZINC000926867107 627864161 /nfs/dbraw/zinc/86/41/61/627864161.db2.gz APVSQKHJQWICIZ-SNVBAGLBSA-N 1 2 287.392 2.259 20 30 CEEDLO O=C(Nc1cnn(C(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329509443 628325972 /nfs/dbraw/zinc/32/59/72/628325972.db2.gz MGVTYHNWCLPYTE-QMMMGPOBSA-N 1 2 281.266 2.325 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)[C@H]1CCCO1 ZINC000775789156 628338673 /nfs/dbraw/zinc/33/86/73/628338673.db2.gz KQRQNCWMGKILBR-RKDXNWHRSA-N 1 2 290.310 2.432 20 30 CEEDLO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc(C#N)c1O ZINC000925691438 628505842 /nfs/dbraw/zinc/50/58/42/628505842.db2.gz NDXILBJXQDITQE-CYBMUJFWSA-N 1 2 289.379 2.077 20 30 CEEDLO Cc1ncc(CO[NH+]=C(N)Cc2ccccc2)s1 ZINC000195168259 628528232 /nfs/dbraw/zinc/52/82/32/628528232.db2.gz MJOSECFBEIDAFE-UHFFFAOYSA-N 1 2 261.350 2.483 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456754 628586988 /nfs/dbraw/zinc/58/69/88/628586988.db2.gz RQKOWAARNCGROG-STQMWFEESA-N 1 2 290.411 2.142 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931456754 628586991 /nfs/dbraw/zinc/58/69/91/628586991.db2.gz RQKOWAARNCGROG-STQMWFEESA-N 1 2 290.411 2.142 20 30 CEEDLO Cn1ncc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1C1CC1 ZINC000893525732 628677757 /nfs/dbraw/zinc/67/77/57/628677757.db2.gz HDDZMVHTEPSZJJ-HNNXBMFYSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1ncc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1C1CC1 ZINC000893525732 628677760 /nfs/dbraw/zinc/67/77/60/628677760.db2.gz HDDZMVHTEPSZJJ-HNNXBMFYSA-N 1 2 258.369 2.423 20 30 CEEDLO N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000821350042 634694072 /nfs/dbraw/zinc/69/40/72/634694072.db2.gz ZNRQXXDTCUGKHP-AWEZNQCLSA-N 1 2 285.347 2.219 20 30 CEEDLO N#Cc1ccc(O)c(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000821350042 634694078 /nfs/dbraw/zinc/69/40/78/634694078.db2.gz ZNRQXXDTCUGKHP-AWEZNQCLSA-N 1 2 285.347 2.219 20 30 CEEDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)no1 ZINC000931947596 628931402 /nfs/dbraw/zinc/93/14/02/628931402.db2.gz ARKWVOXXZZIMGL-LBPRGKRZSA-N 1 2 286.310 2.378 20 30 CEEDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)no1 ZINC000931947596 628931403 /nfs/dbraw/zinc/93/14/03/628931403.db2.gz ARKWVOXXZZIMGL-LBPRGKRZSA-N 1 2 286.310 2.378 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000893697520 628931716 /nfs/dbraw/zinc/93/17/16/628931716.db2.gz UIEFZIBXBJEMMW-CQSZACIVSA-N 1 2 282.347 2.032 20 30 CEEDLO CC[C@@H](CO)Nc1cc(NCC(C)(C)CCC#N)[nH+]cn1 ZINC000893868201 629021665 /nfs/dbraw/zinc/02/16/65/629021665.db2.gz VJNRWSCPAXPGRW-LBPRGKRZSA-N 1 2 291.399 2.401 20 30 CEEDLO CC[C@@H](CO)Nc1cc(NCC(C)(C)CCC#N)nc[nH+]1 ZINC000893868201 629021668 /nfs/dbraw/zinc/02/16/68/629021668.db2.gz VJNRWSCPAXPGRW-LBPRGKRZSA-N 1 2 291.399 2.401 20 30 CEEDLO Cc1ccn(C[N@@H+]2CCC(C)=C(C)C2)c(=O)c1C#N ZINC000794882282 629344765 /nfs/dbraw/zinc/34/47/65/629344765.db2.gz QOKOQAHKCGTJRO-UHFFFAOYSA-N 1 2 257.337 2.028 20 30 CEEDLO Cc1ccn(C[N@H+]2CCC(C)=C(C)C2)c(=O)c1C#N ZINC000794882282 629344786 /nfs/dbraw/zinc/34/47/86/629344786.db2.gz QOKOQAHKCGTJRO-UHFFFAOYSA-N 1 2 257.337 2.028 20 30 CEEDLO COCCN(C)[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000794962937 629376134 /nfs/dbraw/zinc/37/61/34/629376134.db2.gz COCNNQUVAHUTIW-UHFFFAOYSA-N 1 2 265.357 2.182 20 30 CEEDLO COC(=O)c1cc(C[NH2+]CC(C)(C)C#N)cs1 ZINC000894454194 629468555 /nfs/dbraw/zinc/46/85/55/629468555.db2.gz NSAGLDHDJSIUDB-UHFFFAOYSA-N 1 2 252.339 2.174 20 30 CEEDLO C#C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000894553767 629531241 /nfs/dbraw/zinc/53/12/41/629531241.db2.gz URIRCCGDJYWVOL-KBPBESRZSA-N 1 2 297.807 2.181 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)cc1 ZINC000894574489 629540967 /nfs/dbraw/zinc/54/09/67/629540967.db2.gz HBUQKNPRWPSYQK-OAHLLOKOSA-N 1 2 275.302 2.456 20 30 CEEDLO Cc1cc(C#N)cc(C)c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000894897606 629734233 /nfs/dbraw/zinc/73/42/33/629734233.db2.gz LWHQQCUOLHPNFJ-UHFFFAOYSA-N 1 2 280.331 2.069 20 30 CEEDLO CNc1cc(CNc2nnc(C)c(C)c2C#N)cc[nH+]1 ZINC000895255720 630062899 /nfs/dbraw/zinc/06/28/99/630062899.db2.gz LYIPHAXJMKAZLV-UHFFFAOYSA-N 1 2 268.324 2.014 20 30 CEEDLO Cn1c[nH+]cc1COC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000797101395 630132496 /nfs/dbraw/zinc/13/24/96/630132496.db2.gz DGZHYFPDLJUZAH-UHFFFAOYSA-N 1 2 299.305 2.206 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(=O)OC ZINC000895752966 630330524 /nfs/dbraw/zinc/33/05/24/630330524.db2.gz GEVWGSGYBXVUAF-SDFYHXNISA-N 1 2 267.369 2.041 20 30 CEEDLO C#CC[N@@H+](Cc1cnc2cccc(C)n12)C1CSC1 ZINC000895814736 630359604 /nfs/dbraw/zinc/35/96/04/630359604.db2.gz XVTOFVZTKFFMQH-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO C#CC[N@H+](Cc1cnc2cccc(C)n12)C1CSC1 ZINC000895814736 630359609 /nfs/dbraw/zinc/35/96/09/630359609.db2.gz XVTOFVZTKFFMQH-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO COCC1C[NH+](Cc2cc(C#N)ccc2Br)C1 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295.354 2.165 20 30 CEEDLO N#C[C@H]1C[N@H+](CC2Cc3ccccc3C2)CCN1C1CC1 ZINC000811463833 632387827 /nfs/dbraw/zinc/38/78/27/632387827.db2.gz IMDPKYDNXCUNBM-SFHVURJKSA-N 1 2 281.403 2.074 20 30 CEEDLO N#C[C@H]1C[N@@H+](CC2Cc3ccccc3C2)CCN1C1CC1 ZINC000811463833 632387830 /nfs/dbraw/zinc/38/78/30/632387830.db2.gz IMDPKYDNXCUNBM-SFHVURJKSA-N 1 2 281.403 2.074 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502867 632525339 /nfs/dbraw/zinc/52/53/39/632525339.db2.gz IFYQMEHMCXISSI-LBPRGKRZSA-N 1 2 256.365 2.139 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502867 632525343 /nfs/dbraw/zinc/52/53/43/632525343.db2.gz IFYQMEHMCXISSI-LBPRGKRZSA-N 1 2 256.365 2.139 20 30 CEEDLO CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(C#N)c1O ZINC000927144305 632585160 /nfs/dbraw/zinc/58/51/60/632585160.db2.gz KGDBOGSFHNCXPW-JKOKRWQUSA-N 1 2 260.337 2.075 20 30 CEEDLO COC[C@@H](C/[NH+]=C\c1cccc(O)c1O)C(C)C ZINC000899227674 632743967 /nfs/dbraw/zinc/74/39/67/632743967.db2.gz PTTAQQSNCHLWCD-FKZYXTMDSA-N 1 2 251.326 2.435 20 30 CEEDLO Cn1ncc(C=[NH+]Nc2ccccc2C(F)(F)F)c1N ZINC000814688687 632880890 /nfs/dbraw/zinc/88/08/90/632880890.db2.gz INYIUXTZVBAMNP-UHFFFAOYSA-N 1 2 283.257 2.467 20 30 CEEDLO CCCCCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000815083253 632956452 /nfs/dbraw/zinc/95/64/52/632956452.db2.gz UDBVLEAPSWGUOM-OKILXGFUSA-N 1 2 290.473 2.311 20 30 CEEDLO CCCCCCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000815083253 632956455 /nfs/dbraw/zinc/95/64/55/632956455.db2.gz UDBVLEAPSWGUOM-OKILXGFUSA-N 1 2 290.473 2.311 20 30 CEEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000815107094 632960625 /nfs/dbraw/zinc/96/06/25/632960625.db2.gz KCGDZANAATZCOM-KBPBESRZSA-N 1 2 276.384 2.359 20 30 CEEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000815107094 632960626 /nfs/dbraw/zinc/96/06/26/632960626.db2.gz KCGDZANAATZCOM-KBPBESRZSA-N 1 2 276.384 2.359 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC000899900713 633084290 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CC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1cccc(C#N)c1 ZINC000903048927 634955194 /nfs/dbraw/zinc/95/51/94/634955194.db2.gz YSVFLIQBBRERCM-CYBMUJFWSA-N 1 2 285.351 2.064 20 30 CEEDLO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000903339598 635068365 /nfs/dbraw/zinc/06/83/65/635068365.db2.gz ZLFWRWOCURNFOL-JTQLQIEISA-N 1 2 288.326 2.290 20 30 CEEDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N(O)Cc1ccc(F)cc1 ZINC000904175197 635493811 /nfs/dbraw/zinc/49/38/11/635493811.db2.gz PBEIOPDRBRAKRW-GFCCVEGCSA-N 1 2 289.310 2.003 20 30 CEEDLO CCCCN(O)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000904208833 635499545 /nfs/dbraw/zinc/49/95/45/635499545.db2.gz LELQZAKWNKJXDQ-CYBMUJFWSA-N 1 2 250.342 2.307 20 30 CEEDLO C#CC[C@@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000825743221 635706383 /nfs/dbraw/zinc/70/63/83/635706383.db2.gz OOEGRVWGXFLSBC-OAHLLOKOSA-N 1 2 288.395 2.108 20 30 CEEDLO CC[C@H](C)[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(=O)OC ZINC000905776793 636434529 /nfs/dbraw/zinc/43/45/29/636434529.db2.gz 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C#C[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000772253597 646610423 /nfs/dbraw/zinc/61/04/23/646610423.db2.gz DZYYMILJCMRQHN-CHWSQXEVSA-N 1 2 257.337 2.255 20 30 CEEDLO CN(C)c1cc(F)c(C=[NH+]N[C@H]2CCCOC2)cc1F ZINC000863107885 646638434 /nfs/dbraw/zinc/63/84/34/646638434.db2.gz CBYZKGLDWKNCQW-NSHDSACASA-N 1 2 283.322 2.133 20 30 CEEDLO Cc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)ccc1C#N ZINC000774904412 646907367 /nfs/dbraw/zinc/90/73/67/646907367.db2.gz RKBJCXZEAAFMCL-UHFFFAOYSA-N 1 2 294.420 2.122 20 30 CEEDLO Cc1cc(C[N@H+](CCS(C)(=O)=O)C(C)C)ccc1C#N ZINC000774904412 646907371 /nfs/dbraw/zinc/90/73/71/646907371.db2.gz RKBJCXZEAAFMCL-UHFFFAOYSA-N 1 2 294.420 2.122 20 30 CEEDLO C#CCNC(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000775554881 646964913 /nfs/dbraw/zinc/96/49/13/646964913.db2.gz ZBACDQAVQMVJGY-UHFFFAOYSA-N 1 2 297.185 2.322 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000775657709 646976954 /nfs/dbraw/zinc/97/69/54/646976954.db2.gz PVFVJMWUEIYKPL-UHFFFAOYSA-N 1 2 256.353 2.334 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000775657709 646976956 /nfs/dbraw/zinc/97/69/56/646976956.db2.gz PVFVJMWUEIYKPL-UHFFFAOYSA-N 1 2 256.353 2.334 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)[C@H]1CCCO1 ZINC000775796236 646994778 /nfs/dbraw/zinc/99/47/78/646994778.db2.gz UEQPCEATTYRODP-DLBZAZTESA-N 1 2 299.349 2.282 20 30 CEEDLO CC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776605429 647077622 /nfs/dbraw/zinc/07/76/22/647077622.db2.gz DAPCRVKHGYXKIE-QWHCGFSZSA-N 1 2 266.385 2.339 20 30 CEEDLO CC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776605429 647077625 /nfs/dbraw/zinc/07/76/25/647077625.db2.gz DAPCRVKHGYXKIE-QWHCGFSZSA-N 1 2 266.385 2.339 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)[C@]3(C#N)CCCOC3)cc2[nH+]1 ZINC000864664259 647079440 /nfs/dbraw/zinc/07/94/40/647079440.db2.gz OODZUBCUCKPLFF-HNNXBMFYSA-N 1 2 284.319 2.130 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)c2coc(C#N)c2)c1C ZINC000865064447 647169949 /nfs/dbraw/zinc/16/99/49/647169949.db2.gz SNQKTWDFVBXPJJ-UHFFFAOYSA-N 1 2 285.303 2.102 20 30 CEEDLO CC(C)[C@H](C(=O)[C@H](C#N)c1ccncn1)[NH+]1CCCCC1 ZINC000778723567 647256939 /nfs/dbraw/zinc/25/69/39/647256939.db2.gz DEOQAASGJYBQBP-UKRRQHHQSA-N 1 2 286.379 2.163 20 30 CEEDLO CCCNc1cc(N2CCC(C)(C#N)CC2)nc[nH+]1 ZINC000865666131 647414939 /nfs/dbraw/zinc/41/49/39/647414939.db2.gz KHSXUAQBZUUVLM-UHFFFAOYSA-N 1 2 259.357 2.429 20 30 CEEDLO CCCNc1cc(N2CCC(C)(C#N)CC2)[nH+]cn1 ZINC000865666131 647414943 /nfs/dbraw/zinc/41/49/43/647414943.db2.gz KHSXUAQBZUUVLM-UHFFFAOYSA-N 1 2 259.357 2.429 20 30 CEEDLO CC[N@H+](C)[C@@H](C(=O)OC[C@@H](C)C#N)c1ccccc1 ZINC000780446325 647428885 /nfs/dbraw/zinc/42/88/85/647428885.db2.gz DKRBOZQMEPKHHI-GXTWGEPZSA-N 1 2 260.337 2.382 20 30 CEEDLO CC[N@@H+](C)[C@@H](C(=O)OC[C@@H](C)C#N)c1ccccc1 ZINC000780446325 647428888 /nfs/dbraw/zinc/42/88/88/647428888.db2.gz DKRBOZQMEPKHHI-GXTWGEPZSA-N 1 2 260.337 2.382 20 30 CEEDLO N#C[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041196 647583443 /nfs/dbraw/zinc/58/34/43/647583443.db2.gz ICCVFPWXLIDBDN-HNAYVOBHSA-N 1 2 295.430 2.464 20 30 CEEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041196 647583448 /nfs/dbraw/zinc/58/34/48/647583448.db2.gz ICCVFPWXLIDBDN-HNAYVOBHSA-N 1 2 295.430 2.464 20 30 CEEDLO C[C@@H]1C[C@H](CO[NH+]=C(N)c2ccc(F)cc2)CCO1 ZINC000783011678 647669810 /nfs/dbraw/zinc/66/98/10/647669810.db2.gz UUJISEUHIRIOJG-GHMZBOCLSA-N 1 2 266.316 2.278 20 30 CEEDLO C[C@@H]([NH2+]CCN1CCCC1)c1cccc(C#N)c1O ZINC000866217619 647677244 /nfs/dbraw/zinc/67/72/44/647677244.db2.gz ZIFNNSSXRMINSD-GFCCVEGCSA-N 1 2 259.353 2.010 20 30 CEEDLO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866238529 647687059 /nfs/dbraw/zinc/68/70/59/647687059.db2.gz PJJABSBSZZZSQA-VXGBXAGGSA-N 1 2 260.337 2.341 20 30 CEEDLO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866240562 647687796 /nfs/dbraw/zinc/68/77/96/647687796.db2.gz IUCJLIMTHCZMPJ-DGCLKSJQSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000866265000 647704223 /nfs/dbraw/zinc/70/42/23/647704223.db2.gz WHWZRSIUIQFROK-MEBBXXQBSA-N 1 2 260.337 2.075 20 30 CEEDLO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866273778 647710574 /nfs/dbraw/zinc/71/05/74/647710574.db2.gz BKBCYHFNRYJHTN-BXUZGUMPSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(C#N)c1O ZINC000866277359 647713271 /nfs/dbraw/zinc/71/32/71/647713271.db2.gz AVQNHFQJPTVJFR-LLVKDONJSA-N 1 2 255.321 2.453 20 30 CEEDLO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(C#N)c1O ZINC000866280933 647715307 /nfs/dbraw/zinc/71/53/07/647715307.db2.gz FWEYGYXNZAZIOK-ABAIWWIYSA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C#N)c1O ZINC000866338490 647742465 /nfs/dbraw/zinc/74/24/65/647742465.db2.gz SHXLYDVOXLWSHX-NEPJUHHUSA-N 1 2 260.337 2.341 20 30 CEEDLO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866356189 647753478 /nfs/dbraw/zinc/75/34/78/647753478.db2.gz JXQFXXAWZSOHQE-YPMHNXCESA-N 1 2 262.353 2.179 20 30 CEEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000867628150 647934332 /nfs/dbraw/zinc/93/43/32/647934332.db2.gz QRDOXMCZISJUHD-UHFFFAOYSA-N 1 2 293.392 2.322 20 30 CEEDLO C=CCC[C@@H](O)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787694199 648129255 /nfs/dbraw/zinc/12/92/55/648129255.db2.gz RHHMKUYOOWXYJV-CQSZACIVSA-N 1 2 281.783 2.170 20 30 CEEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ncc[nH]1 ZINC000790161337 648388930 /nfs/dbraw/zinc/38/89/30/648388930.db2.gz FMQYUQVZLRNHEC-UHFFFAOYSA-N 1 2 251.293 2.216 20 30 CEEDLO C=CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccncc1 ZINC000793517085 648768361 /nfs/dbraw/zinc/76/83/61/648768361.db2.gz GVBUVGPZGOOIDT-AWEZNQCLSA-N 1 2 270.336 2.171 20 30 CEEDLO C=CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccncc1 ZINC000793517085 648768365 /nfs/dbraw/zinc/76/83/65/648768365.db2.gz GVBUVGPZGOOIDT-AWEZNQCLSA-N 1 2 270.336 2.171 20 30 CEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000793787964 648797426 /nfs/dbraw/zinc/79/74/26/648797426.db2.gz DWWKMQSAGMXLOQ-LBPRGKRZSA-N 1 2 298.346 2.282 20 30 CEEDLO CCC[C@@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794632749 648896530 /nfs/dbraw/zinc/89/65/30/648896530.db2.gz RTMTTXSXMSCRMA-GFCCVEGCSA-N 1 2 293.440 2.487 20 30 CEEDLO CCC[C@@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794632749 648896534 /nfs/dbraw/zinc/89/65/34/648896534.db2.gz RTMTTXSXMSCRMA-GFCCVEGCSA-N 1 2 293.440 2.487 20 30 CEEDLO CN1CC[N@H+](Cc2ccccc2C#N)Cc2cccnc21 ZINC000872266875 649334679 /nfs/dbraw/zinc/33/46/79/649334679.db2.gz FOKPPHUDKGFAMU-UHFFFAOYSA-N 1 2 278.359 2.405 20 30 CEEDLO CN1CC[N@@H+](Cc2ccccc2C#N)Cc2cccnc21 ZINC000872266875 649334681 /nfs/dbraw/zinc/33/46/81/649334681.db2.gz FOKPPHUDKGFAMU-UHFFFAOYSA-N 1 2 278.359 2.405 20 30 CEEDLO N#CC1CC[NH+](CN2C[C@@H](Cc3ccccc3)CC2=O)CC1 ZINC000872573415 649427495 /nfs/dbraw/zinc/42/74/95/649427495.db2.gz AEFCZGCYSLIMGY-KRWDZBQOSA-N 1 2 297.402 2.271 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874244385 649756621 /nfs/dbraw/zinc/75/66/21/649756621.db2.gz HLZUFONHDSQRRA-HUUCEWRRSA-N 1 2 297.333 2.314 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874244385 649756622 /nfs/dbraw/zinc/75/66/22/649756622.db2.gz HLZUFONHDSQRRA-HUUCEWRRSA-N 1 2 297.333 2.314 20 30 CEEDLO C=CC[C@H]([NH2+][C@H](C(C)C)[C@H](O)c1ccccc1)C(=O)OC ZINC000878598149 651137575 /nfs/dbraw/zinc/13/75/75/651137575.db2.gz YDBIJZBYIXCTSN-ARFHVFGLSA-N 1 2 291.391 2.452 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](C)N1CC#N ZINC000878772017 651183044 /nfs/dbraw/zinc/18/30/44/651183044.db2.gz CJYLVAUTTQOMHU-TXEJJXNPSA-N 1 2 274.393 2.038 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C)N1CC#N ZINC000878772017 651183046 /nfs/dbraw/zinc/18/30/46/651183046.db2.gz CJYLVAUTTQOMHU-TXEJJXNPSA-N 1 2 274.393 2.038 20 30 CEEDLO Cc1cc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc(Cl)n1 ZINC000878773411 651183334 /nfs/dbraw/zinc/18/33/34/651183334.db2.gz XIKCAAWSPLEGGT-CHWSQXEVSA-N 1 2 292.814 2.462 20 30 CEEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CSC1 ZINC000878909618 651207835 /nfs/dbraw/zinc/20/78/35/651207835.db2.gz HKLSTNUNCZFQCW-UHFFFAOYSA-N 1 2 292.360 2.154 20 30 CEEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CSC1 ZINC000878909618 651207838 /nfs/dbraw/zinc/20/78/38/651207838.db2.gz HKLSTNUNCZFQCW-UHFFFAOYSA-N 1 2 292.360 2.154 20 30 CEEDLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326441 651286860 /nfs/dbraw/zinc/28/68/60/651286860.db2.gz RHLPLVQIIHKDTC-WCQYABFASA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326441 651286861 /nfs/dbraw/zinc/28/68/61/651286861.db2.gz RHLPLVQIIHKDTC-WCQYABFASA-N 1 2 289.335 2.466 20 30 CEEDLO Cc1nc([C@H](C)[N@H+](C)CCc2cccc(C#N)c2)no1 ZINC000879433615 651302976 /nfs/dbraw/zinc/30/29/76/651302976.db2.gz YRZTVWQGUWTSCX-NSHDSACASA-N 1 2 270.336 2.485 20 30 CEEDLO Cc1nc([C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)no1 ZINC000879433615 651302980 /nfs/dbraw/zinc/30/29/80/651302980.db2.gz YRZTVWQGUWTSCX-NSHDSACASA-N 1 2 270.336 2.485 20 30 CEEDLO CC#CCCN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879450058 651305802 /nfs/dbraw/zinc/30/58/02/651305802.db2.gz YUXRXKVIBIOJJN-UHFFFAOYSA-N 1 2 272.392 2.226 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879631687 651333367 /nfs/dbraw/zinc/33/33/67/651333367.db2.gz VAZQVZVGJOGOIT-ZBFHGGJFSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879631687 651333369 /nfs/dbraw/zinc/33/33/69/651333369.db2.gz VAZQVZVGJOGOIT-ZBFHGGJFSA-N 1 2 277.364 2.006 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccnn1C ZINC000879685402 651339104 /nfs/dbraw/zinc/33/91/04/651339104.db2.gz VVZCHVGYONXYDH-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO COC(=O)c1cnc(CC2CC[NH+](CCC#N)CC2)s1 ZINC000880272058 651413497 /nfs/dbraw/zinc/41/34/97/651413497.db2.gz ORNPNELLELRVBK-UHFFFAOYSA-N 1 2 293.392 2.098 20 30 CEEDLO C[C@@H]1c2sccc2CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000880377580 651433047 /nfs/dbraw/zinc/43/30/47/651433047.db2.gz ZPMUIKQXMKKHPT-LLVKDONJSA-N 1 2 289.404 2.230 20 30 CEEDLO C[C@@H]1c2sccc2CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000880377580 651433048 /nfs/dbraw/zinc/43/30/48/651433048.db2.gz ZPMUIKQXMKKHPT-LLVKDONJSA-N 1 2 289.404 2.230 20 30 CEEDLO N#CCCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871919 652242112 /nfs/dbraw/zinc/24/21/12/652242112.db2.gz RKTRKOHVNGHFAJ-OAHLLOKOSA-N 1 2 282.347 2.434 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872040 652242685 /nfs/dbraw/zinc/24/26/85/652242685.db2.gz UWBGIITXIVKDSZ-NVXWUHKLSA-N 1 2 299.374 2.068 20 30 CEEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000883007054 652321255 /nfs/dbraw/zinc/32/12/55/652321255.db2.gz KOQXMQOLWJADOE-CYBMUJFWSA-N 1 2 276.384 2.206 20 30 CEEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000883007054 652321260 /nfs/dbraw/zinc/32/12/60/652321260.db2.gz KOQXMQOLWJADOE-CYBMUJFWSA-N 1 2 276.384 2.206 20 30 CEEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCCCNC1=O ZINC000135041540 652915599 /nfs/dbraw/zinc/91/55/99/652915599.db2.gz URTULCMZVCTNQS-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCCCNC1=O ZINC000135041540 652915604 /nfs/dbraw/zinc/91/56/04/652915604.db2.gz URTULCMZVCTNQS-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000135242361 652962997 /nfs/dbraw/zinc/96/29/97/652962997.db2.gz NDSBNSQBLXXOQU-UHFFFAOYSA-N 1 2 260.337 2.127 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038480700 806638890 /nfs/dbraw/zinc/63/88/90/806638890.db2.gz RBXDECVMKLCGNF-GFCCVEGCSA-N 1 2 294.757 2.307 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038480700 806638895 /nfs/dbraw/zinc/63/88/95/806638895.db2.gz RBXDECVMKLCGNF-GFCCVEGCSA-N 1 2 294.757 2.307 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccoc2)cc1 ZINC001038062201 806737746 /nfs/dbraw/zinc/73/77/46/806737746.db2.gz UACKAJVVDMIMAD-INIZCTEOSA-N 1 2 295.342 2.156 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccoc2)cc1 ZINC001038062201 806737757 /nfs/dbraw/zinc/73/77/57/806737757.db2.gz UACKAJVVDMIMAD-INIZCTEOSA-N 1 2 295.342 2.156 20 30 CEEDLO N#CCC[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000586052927 806745347 /nfs/dbraw/zinc/74/53/47/806745347.db2.gz RFNLTIMKHMTXAX-UHFFFAOYSA-N 1 2 287.363 2.291 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038502652 806843861 /nfs/dbraw/zinc/84/38/61/806843861.db2.gz RUOUJAUAZDDJMJ-MRXNPFEDSA-N 1 2 284.403 2.467 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038502652 806843866 /nfs/dbraw/zinc/84/38/66/806843866.db2.gz RUOUJAUAZDDJMJ-MRXNPFEDSA-N 1 2 284.403 2.467 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347430902 806904568 /nfs/dbraw/zinc/90/45/68/806904568.db2.gz NCYNWQLCWTYUHN-UONOGXRCSA-N 1 2 291.395 2.107 20 30 CEEDLO COC(=O)c1cccc2[nH+]cc(NC3=CC(=O)C[C@@H](C)C3)n21 ZINC001210769884 802730457 /nfs/dbraw/zinc/73/04/57/802730457.db2.gz WQFQISZZEJSGCJ-JTQLQIEISA-N 1 2 299.330 2.416 20 30 CEEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)cnn1C ZINC000588397087 802827618 /nfs/dbraw/zinc/82/76/18/802827618.db2.gz YCCLXRCVBDOIGJ-SREVYHEPSA-N 1 2 266.304 2.272 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CCCC3)CC2)C1 ZINC001093496317 814936033 /nfs/dbraw/zinc/93/60/33/814936033.db2.gz ACTWNPPIFIGXLZ-UHFFFAOYSA-N 1 2 292.423 2.054 20 30 CEEDLO COC(=O)Cc1ccc(NCCc2ccc(C#N)cc2)[nH+]c1 ZINC001167676685 803434447 /nfs/dbraw/zinc/43/44/47/803434447.db2.gz DJZWCRBAYANZOR-UHFFFAOYSA-N 1 2 295.342 2.323 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001038294785 803449343 /nfs/dbraw/zinc/44/93/43/803449343.db2.gz AVRAFLQXAIVJBB-ZDUSSCGKSA-N 1 2 276.405 2.192 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001038294785 803449345 /nfs/dbraw/zinc/44/93/45/803449345.db2.gz AVRAFLQXAIVJBB-ZDUSSCGKSA-N 1 2 276.405 2.192 20 30 CEEDLO CCCCCCC[NH+]1CC(NC(=O)c2conc2C)C1 ZINC001267657534 803646780 /nfs/dbraw/zinc/64/67/80/803646780.db2.gz 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/nfs/dbraw/zinc/89/75/82/803897582.db2.gz CDJCJUVAVOGODA-UHFFFAOYSA-N 1 2 267.336 2.291 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001268029089 804092469 /nfs/dbraw/zinc/09/24/69/804092469.db2.gz RCXSZCKYQNRNHN-RDJZCZTQSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001268029089 804092479 /nfs/dbraw/zinc/09/24/79/804092479.db2.gz RCXSZCKYQNRNHN-RDJZCZTQSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001268029494 804097365 /nfs/dbraw/zinc/09/73/65/804097365.db2.gz DUWZRTUDDARJHX-HUUCEWRRSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001268029494 804097375 /nfs/dbraw/zinc/09/73/75/804097375.db2.gz DUWZRTUDDARJHX-HUUCEWRRSA-N 1 2 282.428 2.062 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001027837697 804289102 /nfs/dbraw/zinc/28/91/02/804289102.db2.gz DHXARTWHUMFWTE-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO 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2.270 20 30 CEEDLO C=CCCC(=O)NCC1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC001268702527 804934270 /nfs/dbraw/zinc/93/42/70/804934270.db2.gz CVHUCCYGCRDZGM-UHFFFAOYSA-N 1 2 293.436 2.274 20 30 CEEDLO C#CC[N@@H+](CCS(=O)(=O)C1CCCCC1)CC1CC1 ZINC001118805298 815046777 /nfs/dbraw/zinc/04/67/77/815046777.db2.gz OXJRPSQKIZHHIO-UHFFFAOYSA-N 1 2 283.437 2.079 20 30 CEEDLO C#CC[N@H+](CCS(=O)(=O)C1CCCCC1)CC1CC1 ZINC001118805298 815046783 /nfs/dbraw/zinc/04/67/83/815046783.db2.gz OXJRPSQKIZHHIO-UHFFFAOYSA-N 1 2 283.437 2.079 20 30 CEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001269278158 805111015 /nfs/dbraw/zinc/11/10/15/805111015.db2.gz CVSDYHJCARDQDY-KGLIPLIRSA-N 1 2 291.395 2.276 20 30 CEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001269278158 805111021 /nfs/dbraw/zinc/11/10/21/805111021.db2.gz CVSDYHJCARDQDY-KGLIPLIRSA-N 1 2 291.395 2.276 20 30 CEEDLO C=CCCC(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098675349 807053338 /nfs/dbraw/zinc/05/33/38/807053338.db2.gz 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LSUKUSBNHQBWMK-UHFFFAOYSA-N 1 2 277.331 2.130 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001031467165 807969973 /nfs/dbraw/zinc/96/99/73/807969973.db2.gz ADUOSBJDPUDDPT-STQMWFEESA-N 1 2 250.386 2.189 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001031476040 807972267 /nfs/dbraw/zinc/97/22/67/807972267.db2.gz QLAHYCOISVAWRC-UHFFFAOYSA-N 1 2 293.370 2.119 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC001031505747 807981109 /nfs/dbraw/zinc/98/11/09/807981109.db2.gz BNKHZURUEGMMRX-LJQANCHMSA-N 1 2 296.414 2.005 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001031943473 808211177 /nfs/dbraw/zinc/21/11/77/808211177.db2.gz DLOPUNDTPYUZOS-OAHLLOKOSA-N 1 2 290.794 2.127 20 30 CEEDLO C=C(C)C[NH+]1CC(CNC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001032102525 808286478 /nfs/dbraw/zinc/28/64/78/808286478.db2.gz CKUXMDGOVAAVBX-UHFFFAOYSA-N 1 2 298.390 2.109 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2sccc2C)C1 ZINC001107697823 808502772 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C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833293 345890755 /nfs/dbraw/zinc/89/07/55/345890755.db2.gz BXDZEGDQRZJADW-VNHYZAJKSA-N 1 2 263.385 2.011 20 30 CEEDLO COc1ccc(OC)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835389 345892029 /nfs/dbraw/zinc/89/20/29/345892029.db2.gz QYQASDUVEZJZQR-HNNXBMFYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1ccc(OC)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835389 345892032 /nfs/dbraw/zinc/89/20/32/345892032.db2.gz QYQASDUVEZJZQR-HNNXBMFYSA-N 1 2 260.337 2.439 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836340 345892044 /nfs/dbraw/zinc/89/20/44/345892044.db2.gz YAGVPPRVHATJQZ-KSSFIOAISA-N 1 2 297.402 2.195 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836340 345892047 /nfs/dbraw/zinc/89/20/47/345892047.db2.gz YAGVPPRVHATJQZ-KSSFIOAISA-N 1 2 297.402 2.195 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000595838391 345893575 /nfs/dbraw/zinc/89/35/75/345893575.db2.gz BHZCHVPXWIKIRC-RDTXWAMCSA-N 1 2 262.378 2.030 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000595838391 345893576 /nfs/dbraw/zinc/89/35/76/345893576.db2.gz BHZCHVPXWIKIRC-RDTXWAMCSA-N 1 2 262.378 2.030 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595839918 345894499 /nfs/dbraw/zinc/89/44/99/345894499.db2.gz KFYRFKIDBSBFOM-MRXNPFEDSA-N 1 2 282.347 2.113 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595839918 345894500 /nfs/dbraw/zinc/89/45/00/345894500.db2.gz KFYRFKIDBSBFOM-MRXNPFEDSA-N 1 2 282.347 2.113 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)C#N ZINC000595817856 345885074 /nfs/dbraw/zinc/88/50/74/345885074.db2.gz PPRWCFLQACGBMK-NSHDSACASA-N 1 2 290.323 2.157 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)C#N ZINC000595817856 345885078 /nfs/dbraw/zinc/88/50/78/345885078.db2.gz PPRWCFLQACGBMK-NSHDSACASA-N 1 2 290.323 2.157 20 30 CEEDLO N#Cc1cnnc(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000596191228 345965427 /nfs/dbraw/zinc/96/54/27/345965427.db2.gz LPFUAGXRHVDREQ-UHFFFAOYSA-N 1 2 296.378 2.242 20 30 CEEDLO Cc1nc(NCc2ccc[nH+]c2N2CCCC2)ccc1C#N ZINC000596357016 346006972 /nfs/dbraw/zinc/00/69/72/346006972.db2.gz MUVGJDGRSXHSDH-UHFFFAOYSA-N 1 2 293.374 2.291 20 30 CEEDLO C[C@H](CC#N)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000596590597 346061536 /nfs/dbraw/zinc/06/15/36/346061536.db2.gz PHZQNZQUPQMFNQ-IJLUTSLNSA-N 1 2 276.340 2.013 20 30 CEEDLO C[C@H](CC#N)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000596590597 346061541 /nfs/dbraw/zinc/06/15/41/346061541.db2.gz PHZQNZQUPQMFNQ-IJLUTSLNSA-N 1 2 276.340 2.013 20 30 CEEDLO Cc1cc(NC[C@H]2C(C)(C)C2(F)F)c(C#N)c[nH+]1 ZINC000596512312 346042813 /nfs/dbraw/zinc/04/28/13/346042813.db2.gz DGJDQSOWRSFALU-NSHDSACASA-N 1 2 251.280 2.387 20 30 CEEDLO C[C@H](Nc1ncc2c(c1C#N)CCC2)c1[nH+]ccn1C ZINC000596539629 346049260 /nfs/dbraw/zinc/04/92/60/346049260.db2.gz AGNWLVVZUDZERG-JTQLQIEISA-N 1 2 267.336 2.349 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)CC1(C#N)CCCCC1 ZINC000596665631 346074848 /nfs/dbraw/zinc/07/48/48/346074848.db2.gz BPJFXEQZTHRZOV-UHFFFAOYSA-N 1 2 274.368 2.243 20 30 CEEDLO C[C@@]1(C#N)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000596751129 346084346 /nfs/dbraw/zinc/08/43/46/346084346.db2.gz QGLWZKGPRPQDPC-AWEZNQCLSA-N 1 2 269.308 2.102 20 30 CEEDLO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597176512 346141502 /nfs/dbraw/zinc/14/15/02/346141502.db2.gz IHBHIYCDUATZSP-JTQLQIEISA-N 1 2 252.749 2.199 20 30 CEEDLO Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176512 346141504 /nfs/dbraw/zinc/14/15/04/346141504.db2.gz IHBHIYCDUATZSP-JTQLQIEISA-N 1 2 252.749 2.199 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)CC#N)c1C ZINC000596995275 346113575 /nfs/dbraw/zinc/11/35/75/346113575.db2.gz LEVPHOIGJDAGOE-JTQLQIEISA-N 1 2 275.352 2.215 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597003515 346114354 /nfs/dbraw/zinc/11/43/54/346114354.db2.gz HXWMXYFMRWMLLW-LLVKDONJSA-N 1 2 296.330 2.034 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597003515 346114355 /nfs/dbraw/zinc/11/43/55/346114355.db2.gz HXWMXYFMRWMLLW-LLVKDONJSA-N 1 2 296.330 2.034 20 30 CEEDLO CC[C@H](CC#N)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000597128919 346132205 /nfs/dbraw/zinc/13/22/05/346132205.db2.gz KKZUIJAHURISGA-LLVKDONJSA-N 1 2 271.324 2.457 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000597257859 346163392 /nfs/dbraw/zinc/16/33/92/346163392.db2.gz JACDAMUIMQHURK-BFQNTYOBSA-N 1 2 286.379 2.103 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000597257859 346163393 /nfs/dbraw/zinc/16/33/93/346163393.db2.gz JACDAMUIMQHURK-BFQNTYOBSA-N 1 2 286.379 2.103 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000598591696 346379326 /nfs/dbraw/zinc/37/93/26/346379326.db2.gz AAJGUMVGEFUYTN-ZIAGYGMSSA-N 1 2 294.420 2.422 20 30 CEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000598591696 346379331 /nfs/dbraw/zinc/37/93/31/346379331.db2.gz AAJGUMVGEFUYTN-ZIAGYGMSSA-N 1 2 294.420 2.422 20 30 CEEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599358070 346506250 /nfs/dbraw/zinc/50/62/50/346506250.db2.gz CHTZXFIDIFJSTB-CQSZACIVSA-N 1 2 260.337 2.154 20 30 CEEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@](C)(C#N)C1)CCCC2 ZINC000602607913 347099337 /nfs/dbraw/zinc/09/93/37/347099337.db2.gz KWBIPJVNOWRSEK-MRXNPFEDSA-N 1 2 272.396 2.425 20 30 CEEDLO Cn1nc2c(c1C[N@H+]1CCC[C@](C)(C#N)C1)CCCC2 ZINC000602607913 347099340 /nfs/dbraw/zinc/09/93/40/347099340.db2.gz KWBIPJVNOWRSEK-MRXNPFEDSA-N 1 2 272.396 2.425 20 30 CEEDLO C[C@H](c1nccc(N)n1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676764 346561693 /nfs/dbraw/zinc/56/16/93/346561693.db2.gz CBJBNURTYWOHFC-GFCCVEGCSA-N 1 2 293.374 2.075 20 30 CEEDLO C[C@H](c1nccc(N)n1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676764 346561697 /nfs/dbraw/zinc/56/16/97/346561697.db2.gz CBJBNURTYWOHFC-GFCCVEGCSA-N 1 2 293.374 2.075 20 30 CEEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000600106485 346597772 /nfs/dbraw/zinc/59/77/72/346597772.db2.gz JPUNDCUNHLCMMF-KRWDZBQOSA-N 1 2 296.374 2.366 20 30 CEEDLO CO[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)[C@H](C)C1 ZINC000356298237 370647337 /nfs/dbraw/zinc/64/73/37/370647337.db2.gz GMCFYFPBEJAHQO-MWLCHTKSSA-N 1 2 251.355 2.014 20 30 CEEDLO CO[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H](C)C1 ZINC000356298237 370647342 /nfs/dbraw/zinc/64/73/42/370647342.db2.gz GMCFYFPBEJAHQO-MWLCHTKSSA-N 1 2 251.355 2.014 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000129328593 365847295 /nfs/dbraw/zinc/84/72/95/365847295.db2.gz PZNNFJNCONMNHO-KGLIPLIRSA-N 1 2 265.353 2.288 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000129328593 365847299 /nfs/dbraw/zinc/84/72/99/365847299.db2.gz PZNNFJNCONMNHO-KGLIPLIRSA-N 1 2 265.353 2.288 20 30 CEEDLO N#Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)nc(C2CC2)n1 ZINC000601113326 346756070 /nfs/dbraw/zinc/75/60/70/346756070.db2.gz DLHLQWOJHBGIDZ-AWEZNQCLSA-N 1 2 294.362 2.264 20 30 CEEDLO C=CC[C@@H](C)Nc1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000601118059 346757612 /nfs/dbraw/zinc/75/76/12/346757612.db2.gz FJTAQYWPYPQKGE-LLVKDONJSA-N 1 2 277.368 2.079 20 30 CEEDLO Cc1ccc[nH+]c1CCCNc1cc(C#N)nc(C2CC2)n1 ZINC000601170429 346776476 /nfs/dbraw/zinc/77/64/76/346776476.db2.gz AETRSIXCBXEBCA-UHFFFAOYSA-N 1 2 293.374 2.396 20 30 CEEDLO COC(=O)c1[nH]c(C[N@H+](C)CC(C)(C)C#N)cc1C ZINC000602674014 347135852 /nfs/dbraw/zinc/13/58/52/347135852.db2.gz GDFZZBXNUZSLHR-UHFFFAOYSA-N 1 2 263.341 2.091 20 30 CEEDLO COC(=O)c1[nH]c(C[N@@H+](C)CC(C)(C)C#N)cc1C ZINC000602674014 347135853 /nfs/dbraw/zinc/13/58/53/347135853.db2.gz GDFZZBXNUZSLHR-UHFFFAOYSA-N 1 2 263.341 2.091 20 30 CEEDLO Cn1c2cc(C[N@H+](C)CC(C)(C)C#N)ccc2oc1=O ZINC000602675503 347136730 /nfs/dbraw/zinc/13/67/30/347136730.db2.gz LUSJIDQDGZDREL-UHFFFAOYSA-N 1 2 273.336 2.113 20 30 CEEDLO Cn1c2cc(C[N@@H+](C)CC(C)(C)C#N)ccc2oc1=O ZINC000602675503 347136732 /nfs/dbraw/zinc/13/67/32/347136732.db2.gz LUSJIDQDGZDREL-UHFFFAOYSA-N 1 2 273.336 2.113 20 30 CEEDLO N#Cc1cccc(C[NH2+][C@H](CCO)c2ccccc2F)n1 ZINC000602697979 347153300 /nfs/dbraw/zinc/15/33/00/347153300.db2.gz RUWZEQHNPRTCPI-MRXNPFEDSA-N 1 2 285.322 2.306 20 30 CEEDLO Cc1cn2cc(NC(=O)c3ccc(C#N)c(C)n3)ccc2[nH+]1 ZINC000339269753 215053553 /nfs/dbraw/zinc/05/35/53/215053553.db2.gz JIBWVJHMBDDGNY-UHFFFAOYSA-N 1 2 291.314 2.470 20 30 CEEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)C1CCCCC1 ZINC000602806255 347207495 /nfs/dbraw/zinc/20/74/95/347207495.db2.gz DOGLRCSJHYXBJF-CYBMUJFWSA-N 1 2 264.369 2.392 20 30 CEEDLO C=C(C)C[C@@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC000602731451 347176390 /nfs/dbraw/zinc/17/63/90/347176390.db2.gz KFGXJBOSCYSEAG-MRXNPFEDSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C(=O)OC ZINC000602732789 347177223 /nfs/dbraw/zinc/17/72/23/347177223.db2.gz DYIFFWAFUMZXDM-WFASDCNBSA-N 1 2 277.364 2.421 20 30 CEEDLO COCc1ncc2c(n1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000602928709 347249875 /nfs/dbraw/zinc/24/98/75/347249875.db2.gz PBSDOMPNRZKKHU-UHFFFAOYSA-N 1 2 294.358 2.053 20 30 CEEDLO COCc1ncc2c(n1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000602928709 347249877 /nfs/dbraw/zinc/24/98/77/347249877.db2.gz PBSDOMPNRZKKHU-UHFFFAOYSA-N 1 2 294.358 2.053 20 30 CEEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)CC#N)c1C ZINC000602861961 347228884 /nfs/dbraw/zinc/22/88/84/347228884.db2.gz JTXLNOQRPILKOA-AWEZNQCLSA-N 1 2 298.390 2.442 20 30 CEEDLO CCN(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)C1CCCCC1 ZINC000602864018 347229889 /nfs/dbraw/zinc/22/98/89/347229889.db2.gz PVZFDAFHTXLTGU-OLZOCXBDSA-N 1 2 265.401 2.448 20 30 CEEDLO C=C(CC)C[NH2+][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602942516 347252883 /nfs/dbraw/zinc/25/28/83/347252883.db2.gz JGWRKYVXOXQRFJ-HNNXBMFYSA-N 1 2 277.364 2.335 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000602868987 347232125 /nfs/dbraw/zinc/23/21/25/347232125.db2.gz LOXYJIBUBPJGAY-SECBINFHSA-N 1 2 251.717 2.170 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602885392 347238033 /nfs/dbraw/zinc/23/80/33/347238033.db2.gz VHKUICBJLTWVIH-LLVKDONJSA-N 1 2 291.317 2.023 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000602885392 347238034 /nfs/dbraw/zinc/23/80/34/347238034.db2.gz VHKUICBJLTWVIH-LLVKDONJSA-N 1 2 291.317 2.023 20 30 CEEDLO N#Cc1ccccc1NC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000602899382 347241554 /nfs/dbraw/zinc/24/15/54/347241554.db2.gz ICIOJQSPUQHLMD-UHFFFAOYSA-N 1 2 281.363 2.358 20 30 CEEDLO Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602975853 347261986 /nfs/dbraw/zinc/26/19/86/347261986.db2.gz IBNKBALIDCKTCG-HOTGVXAUSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602975853 347261990 /nfs/dbraw/zinc/26/19/90/347261990.db2.gz IBNKBALIDCKTCG-HOTGVXAUSA-N 1 2 285.391 2.235 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c(C)o1 ZINC000602976804 347262303 /nfs/dbraw/zinc/26/23/03/347262303.db2.gz SZHGIIRADPCIPL-AAEUAGOBSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(C)o1 ZINC000602976804 347262305 /nfs/dbraw/zinc/26/23/05/347262305.db2.gz SZHGIIRADPCIPL-AAEUAGOBSA-N 1 2 276.336 2.499 20 30 CEEDLO C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H]1CCC[C@@H]1C#N ZINC000602981452 347264606 /nfs/dbraw/zinc/26/46/06/347264606.db2.gz DIZHZGFTDFXELD-YPMHNXCESA-N 1 2 272.352 2.184 20 30 CEEDLO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H]1CCC[C@@H]1C#N ZINC000602981452 347264609 /nfs/dbraw/zinc/26/46/09/347264609.db2.gz DIZHZGFTDFXELD-YPMHNXCESA-N 1 2 272.352 2.184 20 30 CEEDLO Cc1ncc2c(n1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000603661857 347383008 /nfs/dbraw/zinc/38/30/08/347383008.db2.gz NQPJOEOALHVTSQ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO Cc1ncc2c(n1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000603661857 347383009 /nfs/dbraw/zinc/38/30/09/347383009.db2.gz NQPJOEOALHVTSQ-UHFFFAOYSA-N 1 2 264.332 2.215 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808893 347387961 /nfs/dbraw/zinc/38/79/61/347387961.db2.gz MATPURHWSAHCIL-NSHDSACASA-N 1 2 259.309 2.254 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000129897020 365903001 /nfs/dbraw/zinc/90/30/01/365903001.db2.gz KLTVJDZLWNGYFD-ZDUSSCGKSA-N 1 2 290.363 2.209 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000129897020 365903008 /nfs/dbraw/zinc/90/30/08/365903008.db2.gz KLTVJDZLWNGYFD-ZDUSSCGKSA-N 1 2 290.363 2.209 20 30 CEEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000609161542 347629285 /nfs/dbraw/zinc/62/92/85/347629285.db2.gz UFVDFFYDAHIQCH-AWEZNQCLSA-N 1 2 286.310 2.183 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000609626175 347648152 /nfs/dbraw/zinc/64/81/52/347648152.db2.gz CNDOVIDSFHWTCF-JSGCOSHPSA-N 1 2 257.337 2.074 20 30 CEEDLO Cc1cccn2cc(CCNC(=O)NCCCCC#N)[nH+]c12 ZINC000610459518 347682668 /nfs/dbraw/zinc/68/26/68/347682668.db2.gz OXVRKFVMKLKIQP-UHFFFAOYSA-N 1 2 299.378 2.178 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000610539973 347690950 /nfs/dbraw/zinc/69/09/50/347690950.db2.gz MIOJOCTXDOCKAD-ZWNOBZJWSA-N 1 2 277.755 2.337 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2c(Cl)cccc2C#N)CCO1 ZINC000610277568 347668297 /nfs/dbraw/zinc/66/82/97/347668297.db2.gz GFYNCRFYZCXUIQ-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2c(Cl)cccc2C#N)CCO1 ZINC000610277568 347668298 /nfs/dbraw/zinc/66/82/98/347668298.db2.gz GFYNCRFYZCXUIQ-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000611429293 347778702 /nfs/dbraw/zinc/77/87/02/347778702.db2.gz BTVWHOVRHFAPGO-ZDUSSCGKSA-N 1 2 256.353 2.268 20 30 CEEDLO Cc1nccc([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000611429293 347778706 /nfs/dbraw/zinc/77/87/06/347778706.db2.gz BTVWHOVRHFAPGO-ZDUSSCGKSA-N 1 2 256.353 2.268 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)ccn1 ZINC000610993566 347728903 /nfs/dbraw/zinc/72/89/03/347728903.db2.gz 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Cc1c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cnn1C ZINC000341799458 216110197 /nfs/dbraw/zinc/11/01/97/216110197.db2.gz OITHKARJSBWAEC-KRWDZBQOSA-N 1 2 296.374 2.174 20 30 CEEDLO CC(C)(C)OC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000151124896 366622671 /nfs/dbraw/zinc/62/26/71/366622671.db2.gz XGQJFOXCFWXUCF-UHFFFAOYSA-N 1 2 252.358 2.486 20 30 CEEDLO CC(C)(C)OC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000151124896 366622677 /nfs/dbraw/zinc/62/26/77/366622677.db2.gz XGQJFOXCFWXUCF-UHFFFAOYSA-N 1 2 252.358 2.486 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)CCc1c[nH+]cn1C ZINC000339165206 366684780 /nfs/dbraw/zinc/68/47/80/366684780.db2.gz XROPRQYODQAECN-UHFFFAOYSA-N 1 2 268.320 2.172 20 30 CEEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000179899026 189226257 /nfs/dbraw/zinc/22/62/57/189226257.db2.gz ZEBRFXZWNKMJOU-INIZCTEOSA-N 1 2 287.359 2.226 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000179899026 189226258 /nfs/dbraw/zinc/22/62/58/189226258.db2.gz ZEBRFXZWNKMJOU-INIZCTEOSA-N 1 2 287.359 2.226 20 30 CEEDLO C[N@H+](CC#Cc1ccccc1Cl)CC(=O)N1CCCC1 ZINC000676712463 540947672 /nfs/dbraw/zinc/94/76/72/540947672.db2.gz HDMNMWRWJFYOOJ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO C[N@@H+](CC#Cc1ccccc1Cl)CC(=O)N1CCCC1 ZINC000676712463 540947675 /nfs/dbraw/zinc/94/76/75/540947675.db2.gz HDMNMWRWJFYOOJ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO C=CCCOCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000677487665 541019431 /nfs/dbraw/zinc/01/94/31/541019431.db2.gz AIWZHUCRMNHEBJ-UHFFFAOYSA-N 1 2 274.324 2.049 20 30 CEEDLO C=C[C@H](CC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000153073628 366728184 /nfs/dbraw/zinc/72/81/84/366728184.db2.gz HOQWERXJIOTSQS-CQSZACIVSA-N 1 2 269.348 2.359 20 30 CEEDLO C[C@@H](OC1CCCCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580837033 366780690 /nfs/dbraw/zinc/78/06/90/366780690.db2.gz OBMQLPCQSSVXTE-CJNGLKHVSA-N 1 2 295.427 2.074 20 30 CEEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000678082242 541079417 /nfs/dbraw/zinc/07/94/17/541079417.db2.gz IIHAEYOFLLJNGR-OAHLLOKOSA-N 1 2 296.374 2.258 20 30 CEEDLO COCC#CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000678082242 541079419 /nfs/dbraw/zinc/07/94/19/541079419.db2.gz IIHAEYOFLLJNGR-OAHLLOKOSA-N 1 2 296.374 2.258 20 30 CEEDLO COCCCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000089737083 363996171 /nfs/dbraw/zinc/99/61/71/363996171.db2.gz FKZXXQXHALUXIS-UHFFFAOYSA-N 1 2 258.268 2.028 20 30 CEEDLO CC[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](C)C#N ZINC000091984037 364072941 /nfs/dbraw/zinc/07/29/41/364072941.db2.gz SMUVHJWSJCKCNW-SGTLLEGYSA-N 1 2 264.394 2.406 20 30 CEEDLO CC[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](C)C#N ZINC000091984037 364072948 /nfs/dbraw/zinc/07/29/48/364072948.db2.gz SMUVHJWSJCKCNW-SGTLLEGYSA-N 1 2 264.394 2.406 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+](CC(=O)OC)C(C)C)cc1 ZINC000093287218 364158124 /nfs/dbraw/zinc/15/81/24/364158124.db2.gz JVAUKYURPNXDKX-UHFFFAOYSA-N 1 2 289.375 2.472 20 30 CEEDLO C#CCCOc1ccc(C[N@H+](CC(=O)OC)C(C)C)cc1 ZINC000093287218 364158129 /nfs/dbraw/zinc/15/81/29/364158129.db2.gz JVAUKYURPNXDKX-UHFFFAOYSA-N 1 2 289.375 2.472 20 30 CEEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000093393036 364175817 /nfs/dbraw/zinc/17/58/17/364175817.db2.gz VZQDUXSURMVUJK-SNVBAGLBSA-N 1 2 298.433 2.017 20 30 CEEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000093393036 364175822 /nfs/dbraw/zinc/17/58/22/364175822.db2.gz VZQDUXSURMVUJK-SNVBAGLBSA-N 1 2 298.433 2.017 20 30 CEEDLO C=C(C)C[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000335057189 364412708 /nfs/dbraw/zinc/41/27/08/364412708.db2.gz AESLKXZGOWLTTE-UHFFFAOYSA-N 1 2 279.405 2.067 20 30 CEEDLO C=C(C)C[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000335057189 364412715 /nfs/dbraw/zinc/41/27/15/364412715.db2.gz AESLKXZGOWLTTE-UHFFFAOYSA-N 1 2 279.405 2.067 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000335186203 364595109 /nfs/dbraw/zinc/59/51/09/364595109.db2.gz UKQAUWHDJGQYRX-UHFFFAOYSA-N 1 2 286.360 2.294 20 30 CEEDLO CCCNC(=O)C[N@H+](CCC)Cc1ccc(F)cc1C#N ZINC000103141080 364631530 /nfs/dbraw/zinc/63/15/30/364631530.db2.gz ZBOMZAFQTHEMMY-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(F)cc1C#N ZINC000103141080 364631537 /nfs/dbraw/zinc/63/15/37/364631537.db2.gz ZBOMZAFQTHEMMY-UHFFFAOYSA-N 1 2 291.370 2.436 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(F)c1 ZINC000335422535 364716005 /nfs/dbraw/zinc/71/60/05/364716005.db2.gz XHMFZXQUIRXOQG-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(F)c1 ZINC000335422535 364716012 /nfs/dbraw/zinc/71/60/12/364716012.db2.gz XHMFZXQUIRXOQG-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000680427066 541411777 /nfs/dbraw/zinc/41/17/77/541411777.db2.gz MTBVEKWWNIEZKF-JSGCOSHPSA-N 1 2 287.363 2.248 20 30 CEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2F)C(N)=O)cc1 ZINC000115595186 365017716 /nfs/dbraw/zinc/01/77/16/365017716.db2.gz QSUKKXBMMPEGQB-HNNXBMFYSA-N 1 2 283.306 2.014 20 30 CEEDLO C=CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115779222 365025442 /nfs/dbraw/zinc/02/54/42/365025442.db2.gz ZDKAWDNRANLOPP-GFCCVEGCSA-N 1 2 283.322 2.053 20 30 CEEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000118413159 365156718 /nfs/dbraw/zinc/15/67/18/365156718.db2.gz JQCFYFWFVKCZIJ-NEPJUHHUSA-N 1 2 289.404 2.323 20 30 CEEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000118413159 365156722 /nfs/dbraw/zinc/15/67/22/365156722.db2.gz JQCFYFWFVKCZIJ-NEPJUHHUSA-N 1 2 289.404 2.323 20 30 CEEDLO C=CCOCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120574587 365444995 /nfs/dbraw/zinc/44/49/95/365444995.db2.gz OATOPVDXXAFONJ-OAHLLOKOSA-N 1 2 290.363 2.044 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275821274 193137729 /nfs/dbraw/zinc/13/77/29/193137729.db2.gz RAXZEAPIUNVFMU-MRXNPFEDSA-N 1 2 291.395 2.345 20 30 CEEDLO C[C@@H](CC(=O)NCc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC000583568146 367066803 /nfs/dbraw/zinc/06/68/03/367066803.db2.gz YGHMCOIFPCCBOE-NSHDSACASA-N 1 2 286.310 2.161 20 30 CEEDLO C[C@H](CC(=O)N[C@H]1CC[C@@H](CC#N)C1)n1cc[nH+]c1 ZINC000583875332 367108798 /nfs/dbraw/zinc/10/87/98/367108798.db2.gz DWDIPFOCEJUPPA-AGIUHOORSA-N 1 2 260.341 2.033 20 30 CEEDLO CCNC(=O)C[N@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000162884579 367200729 /nfs/dbraw/zinc/20/07/29/367200729.db2.gz KCHOKQYGITVJIF-UHFFFAOYSA-N 1 2 279.771 2.170 20 30 CEEDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000162884579 367200734 /nfs/dbraw/zinc/20/07/34/367200734.db2.gz KCHOKQYGITVJIF-UHFFFAOYSA-N 1 2 279.771 2.170 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000162885557 367200883 /nfs/dbraw/zinc/20/08/83/367200883.db2.gz HJZNQHJIVRASAO-CYBMUJFWSA-N 1 2 277.755 2.051 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000162885557 367200886 /nfs/dbraw/zinc/20/08/86/367200886.db2.gz HJZNQHJIVRASAO-CYBMUJFWSA-N 1 2 277.755 2.051 20 30 CEEDLO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602865238 367217090 /nfs/dbraw/zinc/21/70/90/367217090.db2.gz VGYGKVVAIVLZGT-QWHCGFSZSA-N 1 2 273.380 2.318 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1)C1CC1 ZINC000245700088 370860889 /nfs/dbraw/zinc/86/08/89/370860889.db2.gz NEDXOYVITHDHBK-RDJZCZTQSA-N 1 2 298.390 2.027 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1)C1CC1 ZINC000245700088 370860895 /nfs/dbraw/zinc/86/08/95/370860895.db2.gz NEDXOYVITHDHBK-RDJZCZTQSA-N 1 2 298.390 2.027 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(C)sc1C ZINC000171820522 367622383 /nfs/dbraw/zinc/62/23/83/367622383.db2.gz VKGFMLKBRAWQKJ-UHFFFAOYSA-N 1 2 283.397 2.068 20 30 CEEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000681755098 541591817 /nfs/dbraw/zinc/59/18/17/541591817.db2.gz NMGPBXGXMSNBFY-CQSZACIVSA-N 1 2 297.358 2.193 20 30 CEEDLO C=CCCOCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632130171 367682236 /nfs/dbraw/zinc/68/22/36/367682236.db2.gz ZZKZMOFQXNLMQG-UHFFFAOYSA-N 1 2 285.347 2.399 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000343751566 367987200 /nfs/dbraw/zinc/98/72/00/367987200.db2.gz FYFWDRRIKMWKDG-GFCCVEGCSA-N 1 2 261.369 2.338 20 30 CEEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000175019338 368090315 /nfs/dbraw/zinc/09/03/15/368090315.db2.gz DBVGRQWAOPHNPY-UWVGGRQHSA-N 1 2 282.746 2.268 20 30 CEEDLO C=C[C@](C)(O)CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633524436 368286313 /nfs/dbraw/zinc/28/63/13/368286313.db2.gz XZFVZECWAOGHTN-INIZCTEOSA-N 1 2 285.347 2.020 20 30 CEEDLO C=CCOCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000348051820 368875791 /nfs/dbraw/zinc/87/57/91/368875791.db2.gz RFAACLYGYPGUIV-OAHLLOKOSA-N 1 2 277.364 2.425 20 30 CEEDLO C=CCOCCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000348051820 368875794 /nfs/dbraw/zinc/87/57/94/368875794.db2.gz RFAACLYGYPGUIV-OAHLLOKOSA-N 1 2 277.364 2.425 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000574288714 335007345 /nfs/dbraw/zinc/00/73/45/335007345.db2.gz RVQWUGPYJVFFHS-MWLCHTKSSA-N 1 2 280.397 2.369 20 30 CEEDLO C=CCN(CCOC)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635847921 369375369 /nfs/dbraw/zinc/37/53/69/369375369.db2.gz DNWCHMRUKWKLOL-CQSZACIVSA-N 1 2 279.384 2.131 20 30 CEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)C[C@H](O)C(F)(F)F ZINC000189540340 369534780 /nfs/dbraw/zinc/53/47/80/369534780.db2.gz XQRCVIUOBIMDFK-LBPRGKRZSA-N 1 2 290.260 2.442 20 30 CEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)C[C@H](O)C(F)(F)F ZINC000189540340 369534787 /nfs/dbraw/zinc/53/47/87/369534787.db2.gz XQRCVIUOBIMDFK-LBPRGKRZSA-N 1 2 290.260 2.442 20 30 CEEDLO C=CCCn1cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)nn1 ZINC000351296209 369633039 /nfs/dbraw/zinc/63/30/39/369633039.db2.gz QTJUYEINZYVNSU-UHFFFAOYSA-N 1 2 296.334 2.198 20 30 CEEDLO CC(C)(C#N)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000351854758 369654645 /nfs/dbraw/zinc/65/46/45/369654645.db2.gz RJWSATONLDGGAP-UHFFFAOYSA-N 1 2 297.362 2.221 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000191107053 369679156 /nfs/dbraw/zinc/67/91/56/369679156.db2.gz MHVBGAIIRGLQLA-UHFFFAOYSA-N 1 2 295.383 2.045 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000191107053 369679161 /nfs/dbraw/zinc/67/91/61/369679161.db2.gz MHVBGAIIRGLQLA-UHFFFAOYSA-N 1 2 295.383 2.045 20 30 CEEDLO Cn1c(C[NH+]2CCC(F)(C#N)CC2)nc2ccccc21 ZINC000352491175 369755945 /nfs/dbraw/zinc/75/59/45/369755945.db2.gz OFBINNCTQDOPBH-UHFFFAOYSA-N 1 2 272.327 2.401 20 30 CEEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(Cl)cc1C#N ZINC000352635086 369814339 /nfs/dbraw/zinc/81/43/39/369814339.db2.gz BVSCUIOJKLWPHD-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(Cl)cc1C#N ZINC000352635086 369814343 /nfs/dbraw/zinc/81/43/43/369814343.db2.gz BVSCUIOJKLWPHD-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000192235088 369781693 /nfs/dbraw/zinc/78/16/93/369781693.db2.gz BGAALHTZGPDQEY-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000192235088 369781696 /nfs/dbraw/zinc/78/16/96/369781696.db2.gz BGAALHTZGPDQEY-UHFFFAOYSA-N 1 2 271.320 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CSVBIJKZMDQYLB-ZDUSSCGKSA-N 1 2 285.347 2.047 20 30 CEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336263064 394838742 /nfs/dbraw/zinc/83/87/42/394838742.db2.gz PHASJYGVEHIDOX-ZFWWWQNUSA-N 1 2 287.338 2.097 20 30 CEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336263064 394838745 /nfs/dbraw/zinc/83/87/45/394838745.db2.gz PHASJYGVEHIDOX-ZFWWWQNUSA-N 1 2 287.338 2.097 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)CCC#N ZINC000362171654 394847767 /nfs/dbraw/zinc/84/77/67/394847767.db2.gz ZELYQUSVBHZNAS-MRXNPFEDSA-N 1 2 288.391 2.390 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CC)CCC#N ZINC000362171654 394847770 /nfs/dbraw/zinc/84/77/70/394847770.db2.gz ZELYQUSVBHZNAS-MRXNPFEDSA-N 1 2 288.391 2.390 20 30 CEEDLO C=CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000362306848 394852848 /nfs/dbraw/zinc/85/28/48/394852848.db2.gz QRLLSMFYLNLWKN-UHFFFAOYSA-N 1 2 297.362 2.127 20 30 CEEDLO C#CCCCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000367087049 394957294 /nfs/dbraw/zinc/95/72/94/394957294.db2.gz OBIFJXXPQSFWKG-MRXNPFEDSA-N 1 2 288.366 2.492 20 30 CEEDLO N#CCCOCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000338902178 394932015 /nfs/dbraw/zinc/93/20/15/394932015.db2.gz MTCPBJUTOVKAOG-YWEYNIOJSA-N 1 2 299.418 2.248 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CC(C)(C)C#N)CCC2 ZINC000366003261 394936270 /nfs/dbraw/zinc/93/62/70/394936270.db2.gz XTHPTPWWYKEJMF-GFCCVEGCSA-N 1 2 274.368 2.125 20 30 CEEDLO C=CCOCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000339037079 394937577 /nfs/dbraw/zinc/93/75/77/394937577.db2.gz FJDRQLPZNQROGL-UHFFFAOYSA-N 1 2 281.787 2.060 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCOCCC#N ZINC000339059567 394939446 /nfs/dbraw/zinc/93/94/46/394939446.db2.gz VKPUPVSVCSUALR-ZDUSSCGKSA-N 1 2 282.384 2.113 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCOCCC#N ZINC000339059567 394939451 /nfs/dbraw/zinc/93/94/51/394939451.db2.gz VKPUPVSVCSUALR-ZDUSSCGKSA-N 1 2 282.384 2.113 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1COC(=O)NCC ZINC000285781806 394964240 /nfs/dbraw/zinc/96/42/40/394964240.db2.gz YSYMMAVKIRFFKM-LLVKDONJSA-N 1 2 260.765 2.340 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1COC(=O)NCC ZINC000285781806 394964241 /nfs/dbraw/zinc/96/42/41/394964241.db2.gz YSYMMAVKIRFFKM-LLVKDONJSA-N 1 2 260.765 2.340 20 30 CEEDLO C[C@@H](C#N)CN(Cc1cccc2[nH+]ccn21)C1CC1 ZINC000342904199 395026263 /nfs/dbraw/zinc/02/62/63/395026263.db2.gz TULSTXDKBSIGBQ-LBPRGKRZSA-N 1 2 254.337 2.458 20 30 CEEDLO CO[C@@H](C)c1nc(CNc2cc(C)[nH+]cc2C#N)cs1 ZINC000425236204 395052931 /nfs/dbraw/zinc/05/29/31/395052931.db2.gz PMPHHGRNUOOECK-JTQLQIEISA-N 1 2 288.376 2.460 20 30 CEEDLO Cc1cc(NCC2CCC(C#N)CC2)c(C#N)c[nH+]1 ZINC000425260738 395054639 /nfs/dbraw/zinc/05/46/39/395054639.db2.gz OUMJPFTYXDVZPX-UHFFFAOYSA-N 1 2 254.337 2.425 20 30 CEEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H](C)O2 ZINC000374023304 395069621 /nfs/dbraw/zinc/06/96/21/395069621.db2.gz AINRPWAVJQXGAY-QKPAOTATSA-N 1 2 291.395 2.088 20 30 CEEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@@H](C#N)CCC#N)C[C@H](C)O2 ZINC000374023304 395069623 /nfs/dbraw/zinc/06/96/23/395069623.db2.gz AINRPWAVJQXGAY-QKPAOTATSA-N 1 2 291.395 2.088 20 30 CEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000345975258 395083606 /nfs/dbraw/zinc/08/36/06/395083606.db2.gz MZLSRLAOXFVCOY-CQSZACIVSA-N 1 2 290.411 2.350 20 30 CEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000345975258 395083610 /nfs/dbraw/zinc/08/36/10/395083610.db2.gz MZLSRLAOXFVCOY-CQSZACIVSA-N 1 2 290.411 2.350 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000289822857 395088272 /nfs/dbraw/zinc/08/82/72/395088272.db2.gz MDXKOLQLEYRDEJ-GFCCVEGCSA-N 1 2 290.388 2.359 20 30 CEEDLO C=CCCCCC[N@H+]1CC[S@](=O)C[C@@H]1c1cnn(C)c1 ZINC000287617895 395044022 /nfs/dbraw/zinc/04/40/22/395044022.db2.gz FALQGQCZRQWPHV-QRWLVFNGSA-N 1 2 295.452 2.272 20 30 CEEDLO C=CCCCCC[N@@H+]1CC[S@](=O)C[C@@H]1c1cnn(C)c1 ZINC000287617895 395044025 /nfs/dbraw/zinc/04/40/25/395044025.db2.gz FALQGQCZRQWPHV-QRWLVFNGSA-N 1 2 295.452 2.272 20 30 CEEDLO C[C@@H](c1cnccn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376597309 395126392 /nfs/dbraw/zinc/12/63/92/395126392.db2.gz ZWPIDNSYONMCTD-AWEZNQCLSA-N 1 2 293.374 2.490 20 30 CEEDLO C#CCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000290520095 395106591 /nfs/dbraw/zinc/10/65/91/395106591.db2.gz YWUDCISODOECNC-AWEZNQCLSA-N 1 2 254.337 2.287 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349235859 395162080 /nfs/dbraw/zinc/16/20/80/395162080.db2.gz CHLLEHCTUABGTG-RYUDHWBXSA-N 1 2 265.357 2.138 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000293247776 395226742 /nfs/dbraw/zinc/22/67/42/395226742.db2.gz TUIPCUSFKMRRAW-UHFFFAOYSA-N 1 2 291.351 2.329 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000293247776 395226749 /nfs/dbraw/zinc/22/67/49/395226749.db2.gz TUIPCUSFKMRRAW-UHFFFAOYSA-N 1 2 291.351 2.329 20 30 CEEDLO CCOC1(C)C[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000399837580 395248311 /nfs/dbraw/zinc/24/83/11/395248311.db2.gz AREZINVDXZDOKD-UHFFFAOYSA-N 1 2 260.337 2.178 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000293008422 395214282 /nfs/dbraw/zinc/21/42/82/395214282.db2.gz DLKCBEOMMKJIPV-LLVKDONJSA-N 1 2 255.321 2.352 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000293008422 395214285 /nfs/dbraw/zinc/21/42/85/395214285.db2.gz DLKCBEOMMKJIPV-LLVKDONJSA-N 1 2 255.321 2.352 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000293135632 395220909 /nfs/dbraw/zinc/22/09/09/395220909.db2.gz NDDYRJUWTVVVII-UHFFFAOYSA-N 1 2 275.377 2.130 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000293135632 395220913 /nfs/dbraw/zinc/22/09/13/395220913.db2.gz NDDYRJUWTVVVII-UHFFFAOYSA-N 1 2 275.377 2.130 20 30 CEEDLO C/C(Cl)=C/C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000528357732 395289290 /nfs/dbraw/zinc/28/92/90/395289290.db2.gz KYGZQUSKJWGOIM-QCDXTXTGSA-N 1 2 276.771 2.218 20 30 CEEDLO CN(CC(C)(C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353242533 395291692 /nfs/dbraw/zinc/29/16/92/395291692.db2.gz DFYLATOKKNDZLC-UHFFFAOYSA-N 1 2 282.347 2.494 20 30 CEEDLO C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187448534 395302136 /nfs/dbraw/zinc/30/21/36/395302136.db2.gz ZFKZSLMUUANBCW-WFASDCNBSA-N 1 2 290.794 2.277 20 30 CEEDLO C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](C(N)=O)C1 ZINC000187448534 395302140 /nfs/dbraw/zinc/30/21/40/395302140.db2.gz ZFKZSLMUUANBCW-WFASDCNBSA-N 1 2 290.794 2.277 20 30 CEEDLO CCN(CC#N)CCC(C)CC[N@H+](CC)CC#N ZINC000411214268 395323040 /nfs/dbraw/zinc/32/30/40/395323040.db2.gz OKCIWKQRWHPKRJ-UHFFFAOYSA-N 1 2 250.390 2.094 20 30 CEEDLO CCN(CC#N)CCC(C)CC[N@@H+](CC)CC#N ZINC000411214268 395323041 /nfs/dbraw/zinc/32/30/41/395323041.db2.gz OKCIWKQRWHPKRJ-UHFFFAOYSA-N 1 2 250.390 2.094 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000352448439 395255516 /nfs/dbraw/zinc/25/55/16/395255516.db2.gz HLBXLQUJQWQTPH-UHFFFAOYSA-N 1 2 263.272 2.422 20 30 CEEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450582 395264983 /nfs/dbraw/zinc/26/49/83/395264983.db2.gz KAPNKQPFTPPDTB-BXUZGUMPSA-N 1 2 294.782 2.183 20 30 CEEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450582 395264985 /nfs/dbraw/zinc/26/49/85/395264985.db2.gz KAPNKQPFTPPDTB-BXUZGUMPSA-N 1 2 294.782 2.183 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](CC)C(=O)OCC ZINC000352806711 395269946 /nfs/dbraw/zinc/26/99/46/395269946.db2.gz VGYDKRGWYWDNOD-OAHLLOKOSA-N 1 2 295.379 2.492 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](CC)C(=O)OCC ZINC000352806711 395269947 /nfs/dbraw/zinc/26/99/47/395269947.db2.gz VGYDKRGWYWDNOD-OAHLLOKOSA-N 1 2 295.379 2.492 20 30 CEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000192973372 395398280 /nfs/dbraw/zinc/39/82/80/395398280.db2.gz CTUHWQIAKSVOPY-UHFFFAOYSA-N 1 2 294.358 2.429 20 30 CEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000192973372 395398282 /nfs/dbraw/zinc/39/82/82/395398282.db2.gz CTUHWQIAKSVOPY-UHFFFAOYSA-N 1 2 294.358 2.429 20 30 CEEDLO N#Cc1cncc(NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000420585191 395381897 /nfs/dbraw/zinc/38/18/97/395381897.db2.gz MELYOGHWTJTWSZ-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO CCN1CCN(c2cccc(F)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530375218 395456867 /nfs/dbraw/zinc/45/68/67/395456867.db2.gz AOFVISBYZUMNGR-HNNXBMFYSA-N 1 2 299.353 2.304 20 30 CEEDLO N#Cc1cccc(CC(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000530670474 395457084 /nfs/dbraw/zinc/45/70/84/395457084.db2.gz JQSVYTOGYXNQKX-UHFFFAOYSA-N 1 2 290.326 2.065 20 30 CEEDLO CC1CCC(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000568634757 395563788 /nfs/dbraw/zinc/56/37/88/395563788.db2.gz QFGLMGPSHTUKDI-PIMMBPRGSA-N 1 2 265.401 2.163 20 30 CEEDLO COc1ccnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000450668651 395573689 /nfs/dbraw/zinc/57/36/89/395573689.db2.gz PHITXDOKXOSZGJ-NSHDSACASA-N 1 2 268.320 2.208 20 30 CEEDLO CSc1c(F)cccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000574045649 395625504 /nfs/dbraw/zinc/62/55/04/395625504.db2.gz TUCMUKKXBPUDPS-AWEZNQCLSA-N 1 2 295.383 2.121 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)n1 ZINC000459709144 395666627 /nfs/dbraw/zinc/66/66/27/395666627.db2.gz JLBCMDAWLWBFSL-VXGBXAGGSA-N 1 2 275.377 2.016 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)n1 ZINC000459709144 395666628 /nfs/dbraw/zinc/66/66/28/395666628.db2.gz JLBCMDAWLWBFSL-VXGBXAGGSA-N 1 2 275.377 2.016 20 30 CEEDLO COCC[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCOC1 ZINC000490061134 395668928 /nfs/dbraw/zinc/66/89/28/395668928.db2.gz OGBPLDJWLDQVIK-HNNXBMFYSA-N 1 2 299.374 2.048 20 30 CEEDLO COCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCOC1 ZINC000490061134 395668929 /nfs/dbraw/zinc/66/89/29/395668929.db2.gz OGBPLDJWLDQVIK-HNNXBMFYSA-N 1 2 299.374 2.048 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000491715970 395670530 /nfs/dbraw/zinc/67/05/30/395670530.db2.gz LNDKLKAEVBMNAT-LLVKDONJSA-N 1 2 271.320 2.199 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000491715970 395670531 /nfs/dbraw/zinc/67/05/31/395670531.db2.gz LNDKLKAEVBMNAT-LLVKDONJSA-N 1 2 271.320 2.199 20 30 CEEDLO C=CCC[C@@H](CO)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000649529778 396179445 /nfs/dbraw/zinc/17/94/45/396179445.db2.gz VOXDIEGEVDEBDY-ZDUSSCGKSA-N 1 2 272.348 2.404 20 30 CEEDLO COc1ccccc1N1CC[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000150849145 400281671 /nfs/dbraw/zinc/28/16/71/400281671.db2.gz UXPKQDNSAWKKSF-OAHLLOKOSA-N 1 2 299.374 2.036 20 30 CEEDLO C=CCn1nnnc1SCc1c(C)[nH+]c2ccccn21 ZINC000150917118 400281721 /nfs/dbraw/zinc/28/17/21/400281721.db2.gz HFVMPINIDSRGLR-UHFFFAOYSA-N 1 2 286.364 2.108 20 30 CEEDLO C[C@@H](C(=O)NCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000360000630 155187222 /nfs/dbraw/zinc/18/72/22/155187222.db2.gz LPZNYTBVMYKLCU-CYBMUJFWSA-N 1 2 294.358 2.285 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OCCO)CC1 ZINC000360142247 155226825 /nfs/dbraw/zinc/22/68/25/155226825.db2.gz WQTAYNXTBRUUJU-UHFFFAOYSA-N 1 2 294.782 2.185 20 30 CEEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1C#N ZINC000191428890 153171394 /nfs/dbraw/zinc/17/13/94/153171394.db2.gz YZPCZBORBPVWTK-HNNXBMFYSA-N 1 2 271.320 2.063 20 30 CEEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1C#N ZINC000191428890 153171396 /nfs/dbraw/zinc/17/13/96/153171396.db2.gz YZPCZBORBPVWTK-HNNXBMFYSA-N 1 2 271.320 2.063 20 30 CEEDLO N#Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccn1 ZINC000192752769 153219499 /nfs/dbraw/zinc/21/94/99/153219499.db2.gz KUXJFICJALUZEL-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO COc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)c(F)c1 ZINC000359722451 155123503 /nfs/dbraw/zinc/12/35/03/155123503.db2.gz PFEKXVTVINLULA-UHFFFAOYSA-N 1 2 273.311 2.334 20 30 CEEDLO C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1[nH]cc[nH+]1 ZINC000367617436 156217519 /nfs/dbraw/zinc/21/75/19/156217519.db2.gz NEMDUNQFCDITQE-SNVBAGLBSA-N 1 2 279.307 2.035 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1F ZINC000375633510 157119128 /nfs/dbraw/zinc/11/91/28/157119128.db2.gz ZQBLALHGUJQONC-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1F ZINC000375633510 157119129 /nfs/dbraw/zinc/11/91/29/157119129.db2.gz ZQBLALHGUJQONC-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1c[nH]c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000175413034 165135245 /nfs/dbraw/zinc/13/52/45/165135245.db2.gz XDBJTTSVOZYVFF-UHFFFAOYSA-N 1 2 291.314 2.002 20 30 CEEDLO COC(=O)c1cnoc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000285530827 196317695 /nfs/dbraw/zinc/31/76/95/196317695.db2.gz GYLDAVRLJNVWDF-JTQLQIEISA-N 1 2 285.303 2.184 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccon1)Cc1cccs1 ZINC000055372093 414752689 /nfs/dbraw/zinc/75/26/89/414752689.db2.gz QWCURLITAVCJMT-UHFFFAOYSA-N 1 2 277.349 2.363 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccon1)Cc1cccs1 ZINC000055372093 414752694 /nfs/dbraw/zinc/75/26/94/414752694.db2.gz QWCURLITAVCJMT-UHFFFAOYSA-N 1 2 277.349 2.363 20 30 CEEDLO C=C(C)[C@H]([NH2+][C@H]1CON(CC)C1=O)c1ccc(F)c(F)c1 ZINC000660312263 414766242 /nfs/dbraw/zinc/76/62/42/414766242.db2.gz OYLBTRXTTAKMKE-KBPBESRZSA-N 1 2 296.317 2.334 20 30 CEEDLO C=CCCn1cc(CNCc2cn3ccc(C)cc3[nH+]2)nn1 ZINC000657346318 414874739 /nfs/dbraw/zinc/87/47/39/414874739.db2.gz BCVRIWBCJBACTL-UHFFFAOYSA-N 1 2 296.378 2.100 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)nn1 ZINC000653679333 415074073 /nfs/dbraw/zinc/07/40/73/415074073.db2.gz YNPGVFLRCYAVMB-LLVKDONJSA-N 1 2 270.327 2.331 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)nn1 ZINC000653679333 415074078 /nfs/dbraw/zinc/07/40/78/415074078.db2.gz YNPGVFLRCYAVMB-LLVKDONJSA-N 1 2 270.327 2.331 20 30 CEEDLO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H](C)COC ZINC000661239133 415151061 /nfs/dbraw/zinc/15/10/61/415151061.db2.gz JMQZBULRBZJBTR-GFCCVEGCSA-N 1 2 266.389 2.056 20 30 CEEDLO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@H](C)COC ZINC000661239133 415151066 /nfs/dbraw/zinc/15/10/66/415151066.db2.gz JMQZBULRBZJBTR-GFCCVEGCSA-N 1 2 266.389 2.056 20 30 CEEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)[nH]1 ZINC000661151583 415112684 /nfs/dbraw/zinc/11/26/84/415112684.db2.gz DKAQKCZJGQVMLX-CYBMUJFWSA-N 1 2 259.353 2.440 20 30 CEEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)[nH]1 ZINC000661151583 415112689 /nfs/dbraw/zinc/11/26/89/415112689.db2.gz DKAQKCZJGQVMLX-CYBMUJFWSA-N 1 2 259.353 2.440 20 30 CEEDLO C=CCCCC[C@H](C)[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156043 415233302 /nfs/dbraw/zinc/23/33/02/415233302.db2.gz GNFDMQOGQRGXJZ-NSHDSACASA-N 1 2 252.362 2.176 20 30 CEEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(COC)n2)C1 ZINC000661383284 415235981 /nfs/dbraw/zinc/23/59/81/415235981.db2.gz ZPOQSCRVEJNXCH-NSHDSACASA-N 1 2 251.330 2.004 20 30 CEEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(COC)n2)C1 ZINC000661383284 415235985 /nfs/dbraw/zinc/23/59/85/415235985.db2.gz ZPOQSCRVEJNXCH-NSHDSACASA-N 1 2 251.330 2.004 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511919 415305042 /nfs/dbraw/zinc/30/50/42/415305042.db2.gz NGJYZFHRZHERMJ-BXUZGUMPSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511919 415305048 /nfs/dbraw/zinc/30/50/48/415305048.db2.gz NGJYZFHRZHERMJ-BXUZGUMPSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CCC[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655794337 415472705 /nfs/dbraw/zinc/47/27/05/415472705.db2.gz MFZMLNHGJUEWNA-WDEREUQCSA-N 1 2 250.346 2.101 20 30 CEEDLO C=CCC[C@H](CC)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655796884 415475237 /nfs/dbraw/zinc/47/52/37/415475237.db2.gz JZWWXZKSSNCBOO-RYUDHWBXSA-N 1 2 264.373 2.491 20 30 CEEDLO C=CCN(C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[C@H](C)COC ZINC000665046886 415561834 /nfs/dbraw/zinc/56/18/34/415561834.db2.gz GJRANICUDZWUDK-JHJVBQTASA-N 1 2 292.383 2.121 20 30 CEEDLO C=CCCn1cc(C[NH+]2CCC(c3ccon3)CC2)nn1 ZINC000662048661 415598489 /nfs/dbraw/zinc/59/84/89/415598489.db2.gz IGGZSFHEXKUZKO-UHFFFAOYSA-N 1 2 287.367 2.222 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1nc2ccccc2cc1C#N ZINC000071390117 176148399 /nfs/dbraw/zinc/14/83/99/176148399.db2.gz ISBHREQHWTYSRC-UHFFFAOYSA-N 1 2 277.331 2.476 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000656451977 415710212 /nfs/dbraw/zinc/71/02/12/415710212.db2.gz CGJKNKVMKPHVOM-UHFFFAOYSA-N 1 2 274.755 2.093 20 30 CEEDLO C=CCCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000660245380 415938565 /nfs/dbraw/zinc/93/85/65/415938565.db2.gz PYYGGMINGQJMSP-UHFFFAOYSA-N 1 2 272.352 2.220 20 30 CEEDLO N#CC[N@@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000078003506 177316231 /nfs/dbraw/zinc/31/62/31/177316231.db2.gz PTVKWMVHQDATMZ-UHFFFAOYSA-N 1 2 250.264 2.333 20 30 CEEDLO N#CC[N@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000078003506 177316232 /nfs/dbraw/zinc/31/62/32/177316232.db2.gz PTVKWMVHQDATMZ-UHFFFAOYSA-N 1 2 250.264 2.333 20 30 CEEDLO Cn1ncc(Br)c1C[NH+]1CCC(CC#N)CC1 ZINC000334768489 225314720 /nfs/dbraw/zinc/31/47/20/225314720.db2.gz PEBSQGPRXUXHMT-UHFFFAOYSA-N 1 2 297.200 2.308 20 30 CEEDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1nc(C#N)cs1 ZINC000352796900 227232550 /nfs/dbraw/zinc/23/25/50/227232550.db2.gz LCIDWCPYIXLWDJ-JTQLQIEISA-N 1 2 279.390 2.208 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ncnn1-c1ccccc1 ZINC000331577936 228113026 /nfs/dbraw/zinc/11/30/26/228113026.db2.gz RUBSCKVMJZVOMF-GXTWGEPZSA-N 1 2 267.336 2.049 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330079186 228034451 /nfs/dbraw/zinc/03/44/51/228034451.db2.gz OBLVWKZWTIFJQP-IOASZLSFSA-N 1 2 296.411 2.154 20 30 CEEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330079186 228034454 /nfs/dbraw/zinc/03/44/54/228034454.db2.gz OBLVWKZWTIFJQP-IOASZLSFSA-N 1 2 296.411 2.154 20 30 CEEDLO N#CC[C@@H](CC(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000356143501 228138312 /nfs/dbraw/zinc/13/83/12/228138312.db2.gz LHCHCLGECJGOID-ZDUSSCGKSA-N 1 2 268.320 2.113 20 30 CEEDLO N#CC[C@@H](CC(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000356143501 228138314 /nfs/dbraw/zinc/13/83/14/228138314.db2.gz LHCHCLGECJGOID-ZDUSSCGKSA-N 1 2 268.320 2.113 20 30 CEEDLO COCCOc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000352097910 228182734 /nfs/dbraw/zinc/18/27/34/228182734.db2.gz XEYWMCLKMKZRGI-ZDUSSCGKSA-N 1 2 262.353 2.303 20 30 CEEDLO COCCOc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000352097910 228182735 /nfs/dbraw/zinc/18/27/35/228182735.db2.gz XEYWMCLKMKZRGI-ZDUSSCGKSA-N 1 2 262.353 2.303 20 30 CEEDLO C=CCN(C(=O)Nc1cc(C)[nH+]cc1C)[C@H](C)COC ZINC000666496798 419692168 /nfs/dbraw/zinc/69/21/68/419692168.db2.gz VVFFVAONCOLUBL-CYBMUJFWSA-N 1 2 277.368 2.175 20 30 CEEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC1CC1 ZINC000081061740 260329507 /nfs/dbraw/zinc/32/95/07/260329507.db2.gz TZFHVIIJHWDLPY-UHFFFAOYSA-N 1 2 289.354 2.068 20 30 CEEDLO N#CCC[N@H+](CC(=O)NCc1ccc(F)cc1)CC1CC1 ZINC000081061740 260329510 /nfs/dbraw/zinc/32/95/10/260329510.db2.gz TZFHVIIJHWDLPY-UHFFFAOYSA-N 1 2 289.354 2.068 20 30 CEEDLO C=CCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427819630 260847015 /nfs/dbraw/zinc/84/70/15/260847015.db2.gz RCXXOYNYVBGPAH-ZDUSSCGKSA-N 1 2 291.420 2.038 20 30 CEEDLO CCCCN(CC)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000157644148 260852314 /nfs/dbraw/zinc/85/23/14/260852314.db2.gz QKRRVUXAQXJQGT-ZDUSSCGKSA-N 1 2 253.390 2.117 20 30 CEEDLO CCCCN(CC)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000157644148 260852315 /nfs/dbraw/zinc/85/23/15/260852315.db2.gz QKRRVUXAQXJQGT-ZDUSSCGKSA-N 1 2 253.390 2.117 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CC#N)C[C@H](C)O1 ZINC000153603329 261080977 /nfs/dbraw/zinc/08/09/77/261080977.db2.gz SQEGOTQDIBVBCN-STQMWFEESA-N 1 2 287.363 2.148 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1c(Br)c(C)nn1C ZINC000448340367 261120179 /nfs/dbraw/zinc/12/01/79/261120179.db2.gz WFIDAVLKDGAYRM-UHFFFAOYSA-N 1 2 272.190 2.499 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1c(Br)c(C)nn1C ZINC000448340367 261120181 /nfs/dbraw/zinc/12/01/81/261120181.db2.gz WFIDAVLKDGAYRM-UHFFFAOYSA-N 1 2 272.190 2.499 20 30 CEEDLO COCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cncs1 ZINC000448371078 261131771 /nfs/dbraw/zinc/13/17/71/261131771.db2.gz CCWLOFJPUPMETJ-UHFFFAOYSA-N 1 2 290.392 2.002 20 30 CEEDLO COCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1cncs1 ZINC000448371078 261131773 /nfs/dbraw/zinc/13/17/73/261131773.db2.gz CCWLOFJPUPMETJ-UHFFFAOYSA-N 1 2 290.392 2.002 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cccc(OC)c1OC ZINC000490900046 261242059 /nfs/dbraw/zinc/24/20/59/261242059.db2.gz STXULRLRLNDFSE-UHFFFAOYSA-N 1 2 257.333 2.162 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1nccs1)Cc1ccccc1 ZINC000491070505 261317440 /nfs/dbraw/zinc/31/74/40/261317440.db2.gz CQICBFUJNPETHP-UHFFFAOYSA-N 1 2 285.372 2.217 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1nccs1)Cc1ccccc1 ZINC000491070505 261317442 /nfs/dbraw/zinc/31/74/42/261317442.db2.gz CQICBFUJNPETHP-UHFFFAOYSA-N 1 2 285.372 2.217 20 30 CEEDLO C#CCCCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363936280 262041416 /nfs/dbraw/zinc/04/14/16/262041416.db2.gz FRDCDHFGSHZUEC-OAHLLOKOSA-N 1 2 285.391 2.218 20 30 CEEDLO CCOC(=O)Nc1ccc(NCc2[nH]cc[nH+]2)cc1C#N ZINC000497313967 262141424 /nfs/dbraw/zinc/14/14/24/262141424.db2.gz MJRZIEDYKFQALN-UHFFFAOYSA-N 1 2 285.307 2.462 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192222816 262200386 /nfs/dbraw/zinc/20/03/86/262200386.db2.gz XDLWLLVNINGDPH-ZDUSSCGKSA-N 1 2 287.338 2.026 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192222816 262200388 /nfs/dbraw/zinc/20/03/88/262200388.db2.gz XDLWLLVNINGDPH-ZDUSSCGKSA-N 1 2 287.338 2.026 20 30 CEEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC#Cc1ccccc1 ZINC000365273409 262357660 /nfs/dbraw/zinc/35/76/60/262357660.db2.gz KHDDSQFMKPDCKD-IAGOWNOFSA-N 1 2 283.371 2.108 20 30 CEEDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CC#Cc1ccccc1 ZINC000365273409 262357661 /nfs/dbraw/zinc/35/76/61/262357661.db2.gz KHDDSQFMKPDCKD-IAGOWNOFSA-N 1 2 283.371 2.108 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000276267711 263035248 /nfs/dbraw/zinc/03/52/48/263035248.db2.gz CBWVYUMKGBFUTF-GFCCVEGCSA-N 1 2 276.384 2.101 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCCC#N ZINC000280680515 263063747 /nfs/dbraw/zinc/06/37/47/263063747.db2.gz FTOAYUHPYOYMTH-CYBMUJFWSA-N 1 2 289.383 2.443 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCCSC(C)C)c1 ZINC000282204190 263074983 /nfs/dbraw/zinc/07/49/83/263074983.db2.gz ILUYNPQOXMUWMP-UHFFFAOYSA-N 1 2 268.382 2.474 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000285323554 263092051 /nfs/dbraw/zinc/09/20/51/263092051.db2.gz FTQPHUVORVDMLK-INIZCTEOSA-N 1 2 286.379 2.238 20 30 CEEDLO COC(=O)C(C)(C)CC/[NH+]=C/c1cccc(O)c1O ZINC000285459025 263093292 /nfs/dbraw/zinc/09/32/92/263093292.db2.gz QPGZYILRJINFJZ-OQLLNIDSSA-N 1 2 265.309 2.106 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1cccc(OC)c1 ZINC000292286826 263130560 /nfs/dbraw/zinc/13/05/60/263130560.db2.gz TYIWRJWKFDJMNB-UHFFFAOYSA-N 1 2 260.337 2.476 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1cccc(OC)c1 ZINC000292286826 263130561 /nfs/dbraw/zinc/13/05/61/263130561.db2.gz TYIWRJWKFDJMNB-UHFFFAOYSA-N 1 2 260.337 2.476 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1occc1C ZINC000292388573 263131766 /nfs/dbraw/zinc/13/17/66/263131766.db2.gz RZTMAYHRDHJIHO-LBPRGKRZSA-N 1 2 277.368 2.028 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1occc1C ZINC000292388573 263131767 /nfs/dbraw/zinc/13/17/67/263131767.db2.gz RZTMAYHRDHJIHO-LBPRGKRZSA-N 1 2 277.368 2.028 20 30 CEEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000341695415 263346123 /nfs/dbraw/zinc/34/61/23/263346123.db2.gz IBCFASPTKZHIHP-GFCCVEGCSA-N 1 2 263.341 2.005 20 30 CEEDLO COCc1nc(C[NH+]2CCC(C#N)(COC)CC2)cs1 ZINC000341986925 263381118 /nfs/dbraw/zinc/38/11/18/263381118.db2.gz GFUQDRGRRYOTFB-UHFFFAOYSA-N 1 2 295.408 2.042 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1C#N ZINC000330835322 264051109 /nfs/dbraw/zinc/05/11/09/264051109.db2.gz LKNVOZGMAVDVDR-UBHSHLNASA-N 1 2 282.347 2.167 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc2n1C ZINC000331066559 264112156 /nfs/dbraw/zinc/11/21/56/264112156.db2.gz QFQIDYHDZVPGCO-VHSXEESVSA-N 1 2 275.352 2.203 20 30 CEEDLO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC000331334788 264193065 /nfs/dbraw/zinc/19/30/65/264193065.db2.gz IOUHAAVRFAERNA-UHFFFAOYSA-N 1 2 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C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000951212998 613294865 /nfs/dbraw/zinc/29/48/65/613294865.db2.gz RTLRWPUNHUFPJG-WDNDVIMCSA-N 1 2 262.397 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000952303127 613296174 /nfs/dbraw/zinc/29/61/74/613296174.db2.gz MONLQWWDFSXNSW-UHFFFAOYSA-N 1 2 290.411 2.256 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000948768209 613320381 /nfs/dbraw/zinc/32/03/81/613320381.db2.gz IABLWPWYUBCVAI-UHFFFAOYSA-N 1 2 280.318 2.299 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccco2)C1 ZINC000969216094 613372368 /nfs/dbraw/zinc/37/23/68/613372368.db2.gz NMYXDGWRZRJYQV-JTQLQIEISA-N 1 2 268.744 2.082 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccnc2C)C1 ZINC000970353647 613372396 /nfs/dbraw/zinc/37/23/96/613372396.db2.gz FCHXKQNALXQMMN-NSHDSACASA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC000980953359 613373089 /nfs/dbraw/zinc/37/30/89/613373089.db2.gz OQKAKOWJFIMQMK-UHFFFAOYSA-N 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613716434 /nfs/dbraw/zinc/71/64/34/613716434.db2.gz QGXTZAZMEWQJQZ-UHFFFAOYSA-N 1 2 299.349 2.318 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2ccn3C)CC1 ZINC000951777511 613716857 /nfs/dbraw/zinc/71/68/57/613716857.db2.gz SCAOIPTWHHWJPE-UHFFFAOYSA-N 1 2 283.375 2.122 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000890812152 622997291 /nfs/dbraw/zinc/99/72/91/622997291.db2.gz RXRXHZYDLGLCNZ-ZDUSSCGKSA-N 1 2 261.369 2.260 20 30 CEEDLO CSC[C@](C)(C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000890914524 623065690 /nfs/dbraw/zinc/06/56/90/623065690.db2.gz OFOCPBVNRSODTK-AWEZNQCLSA-N 1 2 288.376 2.018 20 30 CEEDLO Oc1ccc(/C=[NH+]\CCc2nc3ccccc3[nH]2)c(O)c1O ZINC000255102585 623097504 /nfs/dbraw/zinc/09/75/04/623097504.db2.gz AHIYHBALCHEMJN-MFOYZWKCSA-N 1 2 297.314 2.341 20 30 CEEDLO Oc1ccc(/C=N\Cc2ccn3cc[nH+]c3c2)c(O)c1O ZINC000255109867 623102674 /nfs/dbraw/zinc/10/26/74/623102674.db2.gz VYNRZUAYUGQXRT-SXGWCWSVSA-N 1 2 283.287 2.070 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001024561313 625645367 /nfs/dbraw/zinc/64/53/67/625645367.db2.gz NHQCLGZAUCKCED-LBPRGKRZSA-N 1 2 299.777 2.491 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001024561313 625645371 /nfs/dbraw/zinc/64/53/71/625645371.db2.gz NHQCLGZAUCKCED-LBPRGKRZSA-N 1 2 299.777 2.491 20 30 CEEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(C#N)CC1 ZINC000160934648 623623914 /nfs/dbraw/zinc/62/39/14/623623914.db2.gz CIPCJDWOAFPVDJ-UHFFFAOYSA-N 1 2 284.367 2.321 20 30 CEEDLO CCOc1cccc(/C=[NH+]\C[C@@H](C)COC)c1O ZINC000255320836 623631515 /nfs/dbraw/zinc/63/15/15/623631515.db2.gz RQFXQNKFAQZDIK-PDICVPPASA-N 1 2 251.326 2.492 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000934469645 624516010 /nfs/dbraw/zinc/51/60/10/624516010.db2.gz XBFCCQMDWYXDGF-CYBMUJFWSA-N 1 2 295.404 2.119 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000934469645 624516012 /nfs/dbraw/zinc/51/60/12/624516012.db2.gz XBFCCQMDWYXDGF-CYBMUJFWSA-N 1 2 295.404 2.119 20 30 CEEDLO Cc1ccccc1CC(N)=[NH+]OCc1nccs1 ZINC000161402821 624683796 /nfs/dbraw/zinc/68/37/96/624683796.db2.gz MQBCWJWQYWTSMR-UHFFFAOYSA-N 1 2 261.350 2.483 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001024700995 625767235 /nfs/dbraw/zinc/76/72/35/625767235.db2.gz JKNZJBCCIOUWBY-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001024700995 625767242 /nfs/dbraw/zinc/76/72/42/625767242.db2.gz JKNZJBCCIOUWBY-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CN2CCN(C3CCCC3)C2=O)C1 ZINC000902312381 634577777 /nfs/dbraw/zinc/57/77/77/634577777.db2.gz RFSGMZJUCJLGHY-CQSZACIVSA-N 1 2 290.411 2.250 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CN2CCN(C3CCCC3)C2=O)C1 ZINC000902312381 634577779 /nfs/dbraw/zinc/57/77/79/634577779.db2.gz RFSGMZJUCJLGHY-CQSZACIVSA-N 1 2 290.411 2.250 20 30 CEEDLO C=CCCCN(CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892838427 627804751 /nfs/dbraw/zinc/80/47/51/627804751.db2.gz OHTUHXGFKQURBV-CABCVRRESA-N 1 2 297.443 2.093 20 30 CEEDLO Nc1ccc(/C=C2\S/C(=N/C3CCCC3)NC2=O)c[nH+]1 ZINC000821032123 634608821 /nfs/dbraw/zinc/60/88/21/634608821.db2.gz QWKMKGJSDRUSOL-XFFZJAGNSA-N 1 2 288.376 2.166 20 30 CEEDLO C#CCn1cc(CNc2cc(C)[nH+]c(C3CCC3)n2)cn1 ZINC000893536256 628689735 /nfs/dbraw/zinc/68/97/35/628689735.db2.gz SMLCWGDLWOUOCP-UHFFFAOYSA-N 1 2 281.363 2.494 20 30 CEEDLO CCCCCC[C@](O)(C[N@@H+]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000932155122 628977637 /nfs/dbraw/zinc/97/76/37/628977637.db2.gz WVLXJFNNEAAHBG-HOCLYGCPSA-N 1 2 296.411 2.096 20 30 CEEDLO CCCCCC[C@](O)(C[N@H+]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000932155122 628977640 /nfs/dbraw/zinc/97/76/40/628977640.db2.gz WVLXJFNNEAAHBG-HOCLYGCPSA-N 1 2 296.411 2.096 20 30 CEEDLO C=CC[C@@H]1CCCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000894523302 629510691 /nfs/dbraw/zinc/51/06/91/629510691.db2.gz VGXCGPQXBVQHSW-KGLIPLIRSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CC[C@@H]1CCCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)C1 ZINC000894523302 629510694 /nfs/dbraw/zinc/51/06/94/629510694.db2.gz VGXCGPQXBVQHSW-KGLIPLIRSA-N 1 2 290.411 2.452 20 30 CEEDLO C#CC[C@H](CCOC)Nc1cc(CC)[nH+]c(CC)n1 ZINC000894829115 629666729 /nfs/dbraw/zinc/66/67/29/629666729.db2.gz XDHFFEVEAQBLKJ-CYBMUJFWSA-N 1 2 261.369 2.442 20 30 CEEDLO N#Cc1cccc(C[NH2+]Cc2cc(C3CC3)no2)n1 ZINC000895765284 630336188 /nfs/dbraw/zinc/33/61/88/630336188.db2.gz MGPUCWRACIEOEA-UHFFFAOYSA-N 1 2 254.293 2.108 20 30 CEEDLO CCc1[nH]nc(Cl)c1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000895968576 630422110 /nfs/dbraw/zinc/42/21/10/630422110.db2.gz DDVRRWWVMDPLBH-PHIMTYICSA-N 1 2 295.818 2.044 20 30 CEEDLO CCc1[nH]nc(Cl)c1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000895968576 630422112 /nfs/dbraw/zinc/42/21/12/630422112.db2.gz DDVRRWWVMDPLBH-PHIMTYICSA-N 1 2 295.818 2.044 20 30 CEEDLO C=C[C@@](C)(O)Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000896065519 630455433 /nfs/dbraw/zinc/45/54/33/630455433.db2.gz JPQYIXMJJMDRGH-MRXNPFEDSA-N 1 2 298.346 2.096 20 30 CEEDLO CC(C)C[C@@H](C(=O)Nc1ncc(C#N)s1)n1cc[nH+]c1 ZINC000896492483 630575387 /nfs/dbraw/zinc/57/53/87/630575387.db2.gz REIQZOKATCSCSO-NSHDSACASA-N 1 2 289.364 2.437 20 30 CEEDLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896652583 630625934 /nfs/dbraw/zinc/62/59/34/630625934.db2.gz BLOSLEWWNBBFHO-AWEZNQCLSA-N 1 2 296.378 2.061 20 30 CEEDLO Cc1cn[nH]c1C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896652583 630625941 /nfs/dbraw/zinc/62/59/41/630625941.db2.gz BLOSLEWWNBBFHO-AWEZNQCLSA-N 1 2 296.378 2.061 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)Nc2cc(CC#N)ccn2)c[nH+]1 ZINC000897008270 630870068 /nfs/dbraw/zinc/87/00/68/630870068.db2.gz VCVBMDHJLFZBAO-UHFFFAOYSA-N 1 2 283.335 2.026 20 30 CEEDLO C#CC[N@@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)C(C)C ZINC000897171285 630973277 /nfs/dbraw/zinc/97/32/77/630973277.db2.gz UYGOMINVICBEII-UHFFFAOYSA-N 1 2 298.390 2.179 20 30 CEEDLO C#CC[N@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)C(C)C ZINC000897171285 630973282 /nfs/dbraw/zinc/97/32/82/630973282.db2.gz UYGOMINVICBEII-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/35/45/28/631354528.db2.gz WANDMIIKBKJDQA-AWEZNQCLSA-N 1 2 284.363 2.341 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000801926284 631357445 /nfs/dbraw/zinc/35/74/45/631357445.db2.gz DHHUJXAMUOZOIB-NEPJUHHUSA-N 1 2 266.366 2.050 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000801926284 631357448 /nfs/dbraw/zinc/35/74/48/631357448.db2.gz DHHUJXAMUOZOIB-NEPJUHHUSA-N 1 2 266.366 2.050 20 30 CEEDLO C[C@H](C#N)OCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000802729494 631448959 /nfs/dbraw/zinc/44/89/59/631448959.db2.gz LFRGJPLWQKJWCM-GFCCVEGCSA-N 1 2 257.293 2.180 20 30 CEEDLO CCOCCO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863108195 631473230 /nfs/dbraw/zinc/47/32/30/631473230.db2.gz LZZLXRHTFOCIAM-UHFFFAOYSA-N 1 2 272.295 2.418 20 30 CEEDLO N#Cc1ccc(Cl)c(C(=O)OCCn2cc[nH+]c2)c1 ZINC000803832556 631614782 /nfs/dbraw/zinc/61/47/82/631614782.db2.gz DRJCQRCGLZOPQM-UHFFFAOYSA-N 1 2 275.695 2.265 20 30 CEEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897626445 631833155 /nfs/dbraw/zinc/83/31/55/631833155.db2.gz QDNQZOIQINDOSL-UHFFFAOYSA-N 1 2 297.387 2.242 20 30 CEEDLO CC(C)(C#N)c1ccc(C[NH+]2CC3(C2)CCNC(=O)O3)cc1 ZINC000897749310 631890178 /nfs/dbraw/zinc/89/01/78/631890178.db2.gz DFOKQLJACNCPNM-UHFFFAOYSA-N 1 2 299.374 2.172 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1c[nH]c(C(F)(F)F)c1 ZINC000807986058 631897777 /nfs/dbraw/zinc/89/77/77/631897777.db2.gz XJVMYOSJZVUQGR-UHFFFAOYSA-N 1 2 257.219 2.213 20 30 CEEDLO C=CCOc1ccc(C[NH2+]Cc2cnn(C)n2)cc1Cl ZINC000808418235 631960886 /nfs/dbraw/zinc/96/08/86/631960886.db2.gz LKEGVUVGBYCCTO-UHFFFAOYSA-N 1 2 292.770 2.323 20 30 CEEDLO CON=CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000809623320 632113817 /nfs/dbraw/zinc/11/38/17/632113817.db2.gz TVPBUYXIHXEOPB-UHFFFAOYSA-N 1 2 272.308 2.264 20 30 CEEDLO C[C@H](C#N)CN[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000809640578 632119283 /nfs/dbraw/zinc/11/92/83/632119283.db2.gz XPODODOGUTUXQG-HLLBOEOZSA-N 1 2 287.407 2.025 20 30 CEEDLO C[C@H](C#N)CN[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000809640578 632119289 /nfs/dbraw/zinc/11/92/89/632119289.db2.gz XPODODOGUTUXQG-HLLBOEOZSA-N 1 2 287.407 2.025 20 30 CEEDLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000810146902 632186811 /nfs/dbraw/zinc/18/68/11/632186811.db2.gz YPCDJTPSFUGPED-GFCCVEGCSA-N 1 2 285.376 2.280 20 30 CEEDLO N#C[C@@H]1C[N@H+](CC2Cc3ccccc3C2)CCN1C1CC1 ZINC000811463832 632387381 /nfs/dbraw/zinc/38/73/81/632387381.db2.gz IMDPKYDNXCUNBM-GOSISDBHSA-N 1 2 281.403 2.074 20 30 CEEDLO N#C[C@@H]1C[N@@H+](CC2Cc3ccccc3C2)CCN1C1CC1 ZINC000811463832 632387384 /nfs/dbraw/zinc/38/73/84/632387384.db2.gz IMDPKYDNXCUNBM-GOSISDBHSA-N 1 2 281.403 2.074 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CCn3cncc3C2)c(O)c(OC)c1 ZINC000811787599 632444219 /nfs/dbraw/zinc/44/42/19/632444219.db2.gz QLQHGCOXSXSNBO-UHFFFAOYSA-N 1 2 299.374 2.342 20 30 CEEDLO C=CCc1cc(C[N@H+]2CCn3cncc3C2)c(O)c(OC)c1 ZINC000811787599 632444220 /nfs/dbraw/zinc/44/42/20/632444220.db2.gz QLQHGCOXSXSNBO-UHFFFAOYSA-N 1 2 299.374 2.342 20 30 CEEDLO COc1ccc(OC)c([C@H](O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000814670089 632877997 /nfs/dbraw/zinc/87/79/97/632877997.db2.gz LRIIKJJNNMEKQF-CQSZACIVSA-N 1 2 292.379 2.219 20 30 CEEDLO COc1ccc(OC)c([C@H](O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000814670089 632878001 /nfs/dbraw/zinc/87/80/01/632878001.db2.gz LRIIKJJNNMEKQF-CQSZACIVSA-N 1 2 292.379 2.219 20 30 CEEDLO COc1cc(F)ccc1N[NH+]=Cc1cnc(N(C)C)nc1 ZINC000814916670 632925724 /nfs/dbraw/zinc/92/57/24/632925724.db2.gz VRHCKHCVQJEDGA-UHFFFAOYSA-N 1 2 289.314 2.136 20 30 CEEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000815107097 632960729 /nfs/dbraw/zinc/96/07/29/632960729.db2.gz KCGDZANAATZCOM-KGLIPLIRSA-N 1 2 276.384 2.359 20 30 CEEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000815107097 632960730 /nfs/dbraw/zinc/96/07/30/632960730.db2.gz KCGDZANAATZCOM-KGLIPLIRSA-N 1 2 276.384 2.359 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)CCCCCC ZINC000815281739 632991545 /nfs/dbraw/zinc/99/15/45/632991545.db2.gz IVFUYHSSRPPZCV-AWEZNQCLSA-N 1 2 252.402 2.417 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)CCCCCC ZINC000815281739 632991546 /nfs/dbraw/zinc/99/15/46/632991546.db2.gz IVFUYHSSRPPZCV-AWEZNQCLSA-N 1 2 252.402 2.417 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]NC1CCC(F)(F)CC1 ZINC000901340499 634055894 /nfs/dbraw/zinc/05/58/94/634055894.db2.gz HIMOVAMBDKEFPC-UHFFFAOYSA-N 1 2 295.337 2.267 20 30 CEEDLO C#C[C@H](CCC)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000822398630 634910909 /nfs/dbraw/zinc/91/09/09/634910909.db2.gz ZIRWOURHDAYAAR-KGLIPLIRSA-N 1 2 261.369 2.388 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cccc(C#N)c1O ZINC000903301809 635049301 /nfs/dbraw/zinc/04/93/01/635049301.db2.gz UNDJLWRIGXPVRM-MJVIPROJSA-N 1 2 259.353 2.007 20 30 CEEDLO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(O)c(F)c2)no1 ZINC000823074373 635060438 /nfs/dbraw/zinc/06/04/38/635060438.db2.gz AYYOHFZGCZPNRT-JTQLQIEISA-N 1 2 276.271 2.275 20 30 CEEDLO C#C[C@@](C)(CC)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823255485 635114248 /nfs/dbraw/zinc/11/42/48/635114248.db2.gz YIPHJZRWESRQKV-PWSUYJOCSA-N 1 2 287.285 2.295 20 30 CEEDLO C=C(C)CONC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000824232136 635381134 /nfs/dbraw/zinc/38/11/34/635381134.db2.gz FMFWOCHMFZODIZ-VIFPVBQESA-N 1 2 277.246 2.001 20 30 CEEDLO C#CC[N@@H+](Cc1c(C(F)(F)F)cnn1C)C1CC1 ZINC000825519709 635651626 /nfs/dbraw/zinc/65/16/26/635651626.db2.gz KGJIXOXYXLHOMO-UHFFFAOYSA-N 1 2 257.259 2.037 20 30 CEEDLO C#CC[N@H+](Cc1c(C(F)(F)F)cnn1C)C1CC1 ZINC000825519709 635651633 /nfs/dbraw/zinc/65/16/33/635651633.db2.gz KGJIXOXYXLHOMO-UHFFFAOYSA-N 1 2 257.259 2.037 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CC[C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000905002400 635773219 /nfs/dbraw/zinc/77/32/19/635773219.db2.gz NVIWCWDQXFWLAC-VAKHEIKFSA-N 1 2 290.363 2.078 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000826535540 635777789 /nfs/dbraw/zinc/77/77/89/635777789.db2.gz ZGSPZRWYXVXDLI-JTQLQIEISA-N 1 2 271.286 2.284 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000826535540 635777794 /nfs/dbraw/zinc/77/77/94/635777794.db2.gz ZGSPZRWYXVXDLI-JTQLQIEISA-N 1 2 271.286 2.284 20 30 CEEDLO COCCON=C(C)c1cccc(-n2cc[nH+]c2)c1 ZINC000905448532 636272538 /nfs/dbraw/zinc/27/25/38/636272538.db2.gz GNIMKPQZQBCSMD-UHFFFAOYSA-N 1 2 259.309 2.259 20 30 CEEDLO N#CCC[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC000905551537 636334714 /nfs/dbraw/zinc/33/47/14/636334714.db2.gz JNEHQDMNIPZRQS-UHFFFAOYSA-N 1 2 269.270 2.397 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC000827691996 636392559 /nfs/dbraw/zinc/39/25/59/636392559.db2.gz DYODSMQXAFXDJA-UHFFFAOYSA-N 1 2 293.370 2.437 20 30 CEEDLO C#CCCOc1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC000827691996 636392563 /nfs/dbraw/zinc/39/25/63/636392563.db2.gz DYODSMQXAFXDJA-UHFFFAOYSA-N 1 2 293.370 2.437 20 30 CEEDLO C#CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1)C(C)C ZINC000905747689 636409708 /nfs/dbraw/zinc/40/97/08/636409708.db2.gz ANOCGLNLCMQWPA-INIZCTEOSA-N 1 2 297.402 2.436 20 30 CEEDLO C#CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1)C(C)C ZINC000905747689 636409713 /nfs/dbraw/zinc/40/97/13/636409713.db2.gz ANOCGLNLCMQWPA-INIZCTEOSA-N 1 2 297.402 2.436 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)C(=O)OC ZINC000905750242 636411069 /nfs/dbraw/zinc/41/10/69/636411069.db2.gz JVDRNBFVJXFMPN-MRXNPFEDSA-N 1 2 299.374 2.122 20 30 CEEDLO C=CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C(=O)OC ZINC000905756557 636443919 /nfs/dbraw/zinc/44/39/19/636443919.db2.gz RARGQRYKCFYSEL-INIZCTEOSA-N 1 2 288.391 2.363 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1cc(F)cc(F)c1)C(=O)OC ZINC000905757516 636444148 /nfs/dbraw/zinc/44/41/48/636444148.db2.gz SMRYXKSOONHOIT-ZDUSSCGKSA-N 1 2 269.291 2.215 20 30 CEEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1nc(C)cs1)C(=O)OC ZINC000905765622 636452166 /nfs/dbraw/zinc/45/21/66/636452166.db2.gz QGMTVJJBQBFSPE-MWLCHTKSSA-N 1 2 268.382 2.262 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1ccc(F)cc1C)C(=O)OC ZINC000905767020 636452837 /nfs/dbraw/zinc/45/28/37/636452837.db2.gz LLMYTSBDIJCQFO-AWEZNQCLSA-N 1 2 265.328 2.384 20 30 CEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[C@H]1C#N ZINC000828141102 636519146 /nfs/dbraw/zinc/51/91/46/636519146.db2.gz KFEVYQQOIDNSGW-IINYFYTJSA-N 1 2 268.320 2.327 20 30 CEEDLO N#Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)c(CO)c1 ZINC000906172183 636633854 /nfs/dbraw/zinc/63/38/54/636633854.db2.gz NAZGUJOEXTYAEQ-UHFFFAOYSA-N 1 2 265.316 2.113 20 30 CEEDLO Cc1cc(C)c(C(=O)N2CCC(C#N)CC2)c(C)[nH+]1 ZINC000906457505 636748756 /nfs/dbraw/zinc/74/87/56/636748756.db2.gz UREFGALQKMQXDJ-UHFFFAOYSA-N 1 2 257.337 2.383 20 30 CEEDLO NC(CCO)=[NH+]OCc1cccc(SC(F)(F)F)c1 ZINC000121384141 636846122 /nfs/dbraw/zinc/84/61/22/636846122.db2.gz DEELTMNMFXEJCE-UHFFFAOYSA-N 1 2 294.298 2.470 20 30 CEEDLO C#CC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000830316388 637033433 /nfs/dbraw/zinc/03/34/33/637033433.db2.gz QDKKPDNHSMKUBS-UHFFFAOYSA-N 1 2 278.302 2.249 20 30 CEEDLO N#Cc1sccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000907835196 637138616 /nfs/dbraw/zinc/13/86/16/637138616.db2.gz DDQKVGNPQUVTKB-GFCCVEGCSA-N 1 2 299.355 2.308 20 30 CEEDLO CN(C)c1ccc(/C=C/C=[NH+]N2CCCC2=O)cc1 ZINC000834967443 638001640 /nfs/dbraw/zinc/00/16/40/638001640.db2.gz FAVZCSDNAVCXNN-SQMWIMCZSA-N 1 2 257.337 2.374 20 30 CEEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000876667110 650389734 /nfs/dbraw/zinc/38/97/34/650389734.db2.gz UBXULZMCHNHKOF-DGCLKSJQSA-N 1 2 290.367 2.260 20 30 CEEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000876667110 650389735 /nfs/dbraw/zinc/38/97/35/650389735.db2.gz UBXULZMCHNHKOF-DGCLKSJQSA-N 1 2 290.367 2.260 20 30 CEEDLO C#Cc1cccc(N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000836616681 638677355 /nfs/dbraw/zinc/67/73/55/638677355.db2.gz UIYNXUSRNDNRFM-HNNXBMFYSA-N 1 2 293.370 2.480 20 30 CEEDLO C#CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000121448483 638677367 /nfs/dbraw/zinc/67/73/67/638677367.db2.gz PRSRQKPWCOHSDC-UHFFFAOYSA-N 1 2 296.374 2.475 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CCCO1 ZINC000876684048 639356678 /nfs/dbraw/zinc/35/66/78/639356678.db2.gz HZZPZESGHOLAPH-JTQLQIEISA-N 1 2 265.744 2.217 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CCCO1 ZINC000876684048 639356686 /nfs/dbraw/zinc/35/66/86/639356686.db2.gz HZZPZESGHOLAPH-JTQLQIEISA-N 1 2 265.744 2.217 20 30 CEEDLO CCC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063457604 639859966 /nfs/dbraw/zinc/85/99/66/639859966.db2.gz QSCKZQFEDWYLPH-UHFFFAOYSA-N 1 2 295.358 2.076 20 30 CEEDLO C=CCCOCC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913710550 640079060 /nfs/dbraw/zinc/07/90/60/640079060.db2.gz TWFZWYQGAZSLDE-UHFFFAOYSA-N 1 2 299.374 2.259 20 30 CEEDLO C#CC[C@@H]1CCC[N@@H+](Cn2ncsc2=S)C1 ZINC000842629421 640125875 /nfs/dbraw/zinc/12/58/75/640125875.db2.gz MOBGXTZLRFSGAC-SNVBAGLBSA-N 1 2 253.396 2.367 20 30 CEEDLO C#CC[C@@H]1CCC[N@H+](Cn2ncsc2=S)C1 ZINC000842629421 640125879 /nfs/dbraw/zinc/12/58/79/640125879.db2.gz MOBGXTZLRFSGAC-SNVBAGLBSA-N 1 2 253.396 2.367 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccon2)[C@H]1C ZINC000993046669 640414410 /nfs/dbraw/zinc/41/44/10/640414410.db2.gz FEWBSRXQEZAOGC-MNOVXSKESA-N 1 2 283.759 2.010 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccon2)[C@H]1C ZINC000993046669 640414411 /nfs/dbraw/zinc/41/44/11/640414411.db2.gz FEWBSRXQEZAOGC-MNOVXSKESA-N 1 2 283.759 2.010 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2=COCCC2)[C@H]1C ZINC000993117505 640455675 /nfs/dbraw/zinc/45/56/75/640455675.db2.gz FWMYHWKJMZYPMI-TZMCWYRMSA-N 1 2 298.814 2.402 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2=COCCC2)[C@H]1C ZINC000993117505 640455677 /nfs/dbraw/zinc/45/56/77/640455677.db2.gz FWMYHWKJMZYPMI-TZMCWYRMSA-N 1 2 298.814 2.402 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001015637403 640574526 /nfs/dbraw/zinc/57/45/26/640574526.db2.gz OBHJIMAXJBFXCE-ZFWWWQNUSA-N 1 2 290.794 2.269 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001015637403 640574531 /nfs/dbraw/zinc/57/45/31/640574531.db2.gz OBHJIMAXJBFXCE-ZFWWWQNUSA-N 1 2 290.794 2.269 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C)nc2)c1 ZINC000153778984 640705041 /nfs/dbraw/zinc/70/50/41/640705041.db2.gz BAGQJVLPRGAIQV-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C)nc2)c1 ZINC000153778984 640705048 /nfs/dbraw/zinc/70/50/48/640705048.db2.gz BAGQJVLPRGAIQV-UHFFFAOYSA-N 1 2 293.370 2.442 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1CF)[C@H]1CCS(=O)(=O)C1 ZINC000929976835 640881004 /nfs/dbraw/zinc/88/10/04/640881004.db2.gz QQVPMZCWRVVFPK-HNNXBMFYSA-N 1 2 297.395 2.331 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1CF)[C@H]1CCS(=O)(=O)C1 ZINC000929976835 640881010 /nfs/dbraw/zinc/88/10/10/640881010.db2.gz QQVPMZCWRVVFPK-HNNXBMFYSA-N 1 2 297.395 2.331 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000919938798 641097228 /nfs/dbraw/zinc/09/72/28/641097228.db2.gz TVCLKHRDWTTZNK-VXGBXAGGSA-N 1 2 281.429 2.463 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000919938798 641097230 /nfs/dbraw/zinc/09/72/30/641097230.db2.gz TVCLKHRDWTTZNK-VXGBXAGGSA-N 1 2 281.429 2.463 20 30 CEEDLO C#CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000921170388 641231748 /nfs/dbraw/zinc/23/17/48/641231748.db2.gz NCOQCVHVCWNBOY-UHFFFAOYSA-N 1 2 298.390 2.238 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(CC)c(C)s2)C1 ZINC000847030486 641537619 /nfs/dbraw/zinc/53/76/19/641537619.db2.gz NRKLKKSOZNVVLN-GFCCVEGCSA-N 1 2 291.420 2.298 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(CC)c(C)s2)C1 ZINC000847030486 641537622 /nfs/dbraw/zinc/53/76/22/641537622.db2.gz NRKLKKSOZNVVLN-GFCCVEGCSA-N 1 2 291.420 2.298 20 30 CEEDLO N#Cc1cccc(OCCO[NH+]=C(N)Cc2ccccc2)c1 ZINC000181589108 641573008 /nfs/dbraw/zinc/57/30/08/641573008.db2.gz HKZYVZFAKGKFNM-UHFFFAOYSA-N 1 2 295.342 2.469 20 30 CEEDLO COCC(Cc1ccccc1)N=NCCCn1cc[nH+]c1 ZINC000848416528 641985090 /nfs/dbraw/zinc/98/50/90/641985090.db2.gz OCVXUEAYGQYMOI-UHFFFAOYSA-N 1 2 286.379 2.108 20 30 CEEDLO COc1cccc2c1CCC(=NNCCCn1cc[nH+]c1)C2 ZINC000848417057 641986260 /nfs/dbraw/zinc/98/62/60/641986260.db2.gz JHZKJSQLCSBVTA-UHFFFAOYSA-N 1 2 298.390 2.416 20 30 CEEDLO Cc1cc(O)c(C=NNCCCn2cc[nH+]c2)cc1C ZINC000848418188 641986790 /nfs/dbraw/zinc/98/67/90/641986790.db2.gz KWIYZRITPMYGKI-UHFFFAOYSA-N 1 2 272.352 2.219 20 30 CEEDLO CC1(C)C(=NNCCCn2cc[nH+]c2)[C@@H]2CCCO[C@@H]21 ZINC000848418555 641986979 /nfs/dbraw/zinc/98/69/79/641986979.db2.gz PVSRHNWWXDOZTF-JSGCOSHPSA-N 1 2 276.384 2.054 20 30 CEEDLO C(=NNCCCn1cc[nH+]c1)[C@H]1CCOc2ccccc21 ZINC000848418863 641987125 /nfs/dbraw/zinc/98/71/25/641987125.db2.gz QIGQSNYWLIPULL-CQSZACIVSA-N 1 2 284.363 2.415 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848533906 642039131 /nfs/dbraw/zinc/03/91/31/642039131.db2.gz OAHKCUZNQBNJOG-UHFFFAOYSA-N 1 2 270.174 2.218 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCc2noc(C3CC3)n2)ccc1F ZINC000109062362 642553472 /nfs/dbraw/zinc/55/34/72/642553472.db2.gz HKUCMOYLEYYHLQ-UHFFFAOYSA-N 1 2 290.298 2.232 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(C)no2)CC1 ZINC001000421509 642602697 /nfs/dbraw/zinc/60/26/97/642602697.db2.gz UIDCPOPJOKRGST-UHFFFAOYSA-N 1 2 295.770 2.097 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(C)no2)CC1 ZINC001000421509 642602701 /nfs/dbraw/zinc/60/27/01/642602701.db2.gz UIDCPOPJOKRGST-UHFFFAOYSA-N 1 2 295.770 2.097 20 30 CEEDLO N#Cc1csc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)n1 ZINC000850374195 642688249 /nfs/dbraw/zinc/68/82/49/642688249.db2.gz KSBDJHOPZWNDIJ-QWHCGFSZSA-N 1 2 271.345 2.283 20 30 CEEDLO C[C@H](CC#N)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851401020 643008223 /nfs/dbraw/zinc/00/82/23/643008223.db2.gz AMPAZDAIMQYLJT-CYBMUJFWSA-N 1 2 287.363 2.391 20 30 CEEDLO N#Cc1ccc(N2CC[NH+](CCOC(F)F)CC2)c(F)c1 ZINC000851746073 643142459 /nfs/dbraw/zinc/14/24/59/643142459.db2.gz PKEAYKFAPCBVRY-UHFFFAOYSA-N 1 2 299.296 2.059 20 30 CEEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCN1C1CC1 ZINC000851768939 643152946 /nfs/dbraw/zinc/15/29/46/643152946.db2.gz POKHDRINPHUGOV-HLPPOEQASA-N 1 2 259.397 2.095 20 30 CEEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCN1C1CC1 ZINC000851768939 643152950 /nfs/dbraw/zinc/15/29/50/643152950.db2.gz POKHDRINPHUGOV-HLPPOEQASA-N 1 2 259.397 2.095 20 30 CEEDLO C#CCOCCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000851863953 643197784 /nfs/dbraw/zinc/19/77/84/643197784.db2.gz VTRQOSRTIWIDMV-OAHLLOKOSA-N 1 2 290.382 2.154 20 30 CEEDLO CC[C@H](C)[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000851927523 643228665 /nfs/dbraw/zinc/22/86/65/643228665.db2.gz BASMUFVYQASEHT-SWLSCSKDSA-N 1 2 274.364 2.278 20 30 CEEDLO CC1CC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004404511 643271931 /nfs/dbraw/zinc/27/19/31/643271931.db2.gz WZMPEQJQNSHBCL-AVVWSFFYSA-N 1 2 289.423 2.259 20 30 CEEDLO CC1CC(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004404511 643271935 /nfs/dbraw/zinc/27/19/35/643271935.db2.gz WZMPEQJQNSHBCL-AVVWSFFYSA-N 1 2 289.423 2.259 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1ccc(F)c(F)c1O ZINC000877641512 650830237 /nfs/dbraw/zinc/83/02/37/650830237.db2.gz WSHLZSCALIBAMN-UHFFFAOYSA-N 1 2 269.291 2.142 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1ccc(F)c(F)c1O ZINC000877641512 650830238 /nfs/dbraw/zinc/83/02/38/650830238.db2.gz WSHLZSCALIBAMN-UHFFFAOYSA-N 1 2 269.291 2.142 20 30 CEEDLO CC[C@@H](C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)OC ZINC000852332076 643397248 /nfs/dbraw/zinc/39/72/48/643397248.db2.gz FJVZTEUKVUOARR-GOEBONIOSA-N 1 2 273.380 2.364 20 30 CEEDLO CC[C@@H](C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)OC ZINC000852332076 643397250 /nfs/dbraw/zinc/39/72/50/643397250.db2.gz FJVZTEUKVUOARR-GOEBONIOSA-N 1 2 273.380 2.364 20 30 CEEDLO Cc1nonc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000852353834 643405781 /nfs/dbraw/zinc/40/57/81/643405781.db2.gz PPYWCWLLFITSRY-UHFFFAOYSA-N 1 2 256.309 2.275 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1nc(C)c2ccccc2n1 ZINC000852751581 643536169 /nfs/dbraw/zinc/53/61/69/643536169.db2.gz BAPADQNJBGDFRH-UHFFFAOYSA-N 1 2 283.375 2.410 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1nc(C)c2ccccc2n1 ZINC000852751581 643536174 /nfs/dbraw/zinc/53/61/74/643536174.db2.gz BAPADQNJBGDFRH-UHFFFAOYSA-N 1 2 283.375 2.410 20 30 CEEDLO COC(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000852768990 643543510 /nfs/dbraw/zinc/54/35/10/643543510.db2.gz LXEBGAPVABMECT-UHFFFAOYSA-N 1 2 291.326 2.018 20 30 CEEDLO C#Cc1cccnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000853267018 643726842 /nfs/dbraw/zinc/72/68/42/643726842.db2.gz DREXZCRRSIOPKA-AWEZNQCLSA-N 1 2 252.321 2.101 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCCOC1 ZINC000853288438 643730221 /nfs/dbraw/zinc/73/02/21/643730221.db2.gz CDSLAJARPRJVQW-ZDUSSCGKSA-N 1 2 260.337 2.465 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)C1CC1 ZINC000853320110 643739182 /nfs/dbraw/zinc/73/91/82/643739182.db2.gz QFWWOPATIMCFGP-INIZCTEOSA-N 1 2 274.364 2.447 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(=O)CC)cc2)C1 ZINC000923570677 643769233 /nfs/dbraw/zinc/76/92/33/643769233.db2.gz SMBYMECRKQMJKF-MRXNPFEDSA-N 1 2 298.386 2.107 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(=O)CC)cc2)C1 ZINC000923570677 643769239 /nfs/dbraw/zinc/76/92/39/643769239.db2.gz SMBYMECRKQMJKF-MRXNPFEDSA-N 1 2 298.386 2.107 20 30 CEEDLO CC(C)[C@H]1CCN(C[N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000853489005 643786232 /nfs/dbraw/zinc/78/62/32/643786232.db2.gz DNHBEHCEQQUMSL-MRXNPFEDSA-N 1 2 285.391 2.452 20 30 CEEDLO CC(C)[C@H]1CCN(C[N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000853489005 643786233 /nfs/dbraw/zinc/78/62/33/643786233.db2.gz DNHBEHCEQQUMSL-MRXNPFEDSA-N 1 2 285.391 2.452 20 30 CEEDLO Cc1ccc2oc(=O)n(C[N@@H+]3CCC[C@H](CC#N)C3)c2c1 ZINC000853526231 643801447 /nfs/dbraw/zinc/80/14/47/643801447.db2.gz PEDQEDIBYRFODM-CYBMUJFWSA-N 1 2 285.347 2.486 20 30 CEEDLO Cc1ccc2oc(=O)n(C[N@H+]3CCC[C@H](CC#N)C3)c2c1 ZINC000853526231 643801461 /nfs/dbraw/zinc/80/14/61/643801461.db2.gz PEDQEDIBYRFODM-CYBMUJFWSA-N 1 2 285.347 2.486 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000854703212 644139766 /nfs/dbraw/zinc/13/97/66/644139766.db2.gz NDAZPCFKCDZQBF-MRXNPFEDSA-N 1 2 267.332 2.404 20 30 CEEDLO C#CC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000839168916 644177333 /nfs/dbraw/zinc/17/73/33/644177333.db2.gz OJRBUDAWYPKOSL-ILDUYXDCSA-N 1 2 277.286 2.262 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC ZINC000839169261 644178301 /nfs/dbraw/zinc/17/83/01/644178301.db2.gz QMHOJMRUKFLQPM-UPJWGTAASA-N 1 2 251.370 2.356 20 30 CEEDLO C#CC[C@H]([NH2+]C1CCC(C)(CC)CC1)C(=O)OC ZINC000839169429 644178559 /nfs/dbraw/zinc/17/85/59/644178559.db2.gz RDJNGMIYKOEWEY-OWYJLGKBSA-N 1 2 251.370 2.500 20 30 CEEDLO CC(C)[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000113239993 644300157 /nfs/dbraw/zinc/30/01/57/644300157.db2.gz DRLYZTSPPPPWHY-INIZCTEOSA-N 1 2 285.391 2.452 20 30 CEEDLO CC(C)[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000113239993 644300158 /nfs/dbraw/zinc/30/01/58/644300158.db2.gz DRLYZTSPPPPWHY-INIZCTEOSA-N 1 2 285.391 2.452 20 30 CEEDLO C#CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000753968648 644305873 /nfs/dbraw/zinc/30/58/73/644305873.db2.gz NWMASSXPDQPICH-CYBMUJFWSA-N 1 2 294.757 2.365 20 30 CEEDLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000877831549 650926533 /nfs/dbraw/zinc/92/65/33/650926533.db2.gz YWIMZYXMWFKNHS-JTQLQIEISA-N 1 2 278.377 2.251 20 30 CEEDLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000877831152 650925961 /nfs/dbraw/zinc/92/59/61/650925961.db2.gz UWZHPXIMBSMXQW-NSHDSACASA-N 1 2 290.338 2.328 20 30 CEEDLO C=CC(C)(C)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000877924440 650948785 /nfs/dbraw/zinc/94/87/85/650948785.db2.gz RSCUIQCAHZIRCH-UHFFFAOYSA-N 1 2 273.380 2.333 20 30 CEEDLO C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000757830488 644849848 /nfs/dbraw/zinc/84/98/48/644849848.db2.gz JGUMZBSEONFNHO-GFCCVEGCSA-N 1 2 264.344 2.500 20 30 CEEDLO CC(=[NH+]Nc1nc(C)cc(=O)[nH]1)c1ccc(N)cc1C ZINC000758090293 644880452 /nfs/dbraw/zinc/88/04/52/644880452.db2.gz PLKNMTNAYCUVBT-UHFFFAOYSA-N 1 2 271.324 2.217 20 30 CEEDLO Cc1ccn(C[N@@H+]2CCC[C@H]2c2ccccn2)c(=O)c1C#N ZINC000758200427 644897736 /nfs/dbraw/zinc/89/77/36/644897736.db2.gz YQMNIYUGZMMVAL-INIZCTEOSA-N 1 2 294.358 2.218 20 30 CEEDLO Cc1ccn(C[N@H+]2CCC[C@H]2c2ccccn2)c(=O)c1C#N ZINC000758200427 644897738 /nfs/dbraw/zinc/89/77/38/644897738.db2.gz YQMNIYUGZMMVAL-INIZCTEOSA-N 1 2 294.358 2.218 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000877976101 650964625 /nfs/dbraw/zinc/96/46/25/650964625.db2.gz FXTHCZMVBFMYAG-DZGCQCFKSA-N 1 2 289.379 2.082 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000877976101 650964630 /nfs/dbraw/zinc/96/46/30/650964630.db2.gz FXTHCZMVBFMYAG-DZGCQCFKSA-N 1 2 289.379 2.082 20 30 CEEDLO CCCCCOC1C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000759062513 644982176 /nfs/dbraw/zinc/98/21/76/644982176.db2.gz KBOGFKOCGHTSDH-KRWDZBQOSA-N 1 2 288.391 2.483 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000877996095 650970295 /nfs/dbraw/zinc/97/02/95/650970295.db2.gz NAKCMNKHAXARRQ-HNNXBMFYSA-N 1 2 275.348 2.171 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2ccc(OC)cc2C1 ZINC000877996095 650970296 /nfs/dbraw/zinc/97/02/96/650970296.db2.gz NAKCMNKHAXARRQ-HNNXBMFYSA-N 1 2 275.348 2.171 20 30 CEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857976489 645029182 /nfs/dbraw/zinc/02/91/82/645029182.db2.gz FPXPKGZZAQNETA-RRFJBIMHSA-N 1 2 292.342 2.119 20 30 CEEDLO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000878022526 650976664 /nfs/dbraw/zinc/97/66/64/650976664.db2.gz JXEBQCBGPJJPJS-JQWIXIFHSA-N 1 2 263.341 2.285 20 30 CEEDLO C=CC[C@H](C)[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000878022526 650976665 /nfs/dbraw/zinc/97/66/65/650976665.db2.gz JXEBQCBGPJJPJS-JQWIXIFHSA-N 1 2 263.341 2.285 20 30 CEEDLO Fc1cnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000760254237 645127506 /nfs/dbraw/zinc/12/75/06/645127506.db2.gz MWHAEBBAIAPNDJ-UHFFFAOYSA-N 1 2 282.282 2.247 20 30 CEEDLO C#CCCOC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000859041211 645333837 /nfs/dbraw/zinc/33/38/37/645333837.db2.gz ILLLBRBLPLWIOO-OAHLLOKOSA-N 1 2 297.358 2.453 20 30 CEEDLO COC(=O)[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)C(C)C ZINC000763019223 645490290 /nfs/dbraw/zinc/49/02/90/645490290.db2.gz HEJNWYPDPIVTAX-HNNXBMFYSA-N 1 2 290.363 2.114 20 30 CEEDLO Nc1[nH+]cccc1CN=Nc1c(F)c(F)nc(F)c1F ZINC000764658647 645671532 /nfs/dbraw/zinc/67/15/32/645671532.db2.gz FSKWAFIGCLKQON-UHFFFAOYSA-N 1 2 285.204 2.061 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000878210843 651037527 /nfs/dbraw/zinc/03/75/27/651037527.db2.gz VUDHCOGBAPGYNT-AWEZNQCLSA-N 1 2 291.347 2.023 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000878210843 651037533 /nfs/dbraw/zinc/03/75/33/651037533.db2.gz VUDHCOGBAPGYNT-AWEZNQCLSA-N 1 2 291.347 2.023 20 30 CEEDLO CCCCCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765123446 645735045 /nfs/dbraw/zinc/73/50/45/645735045.db2.gz PLDDQLXCSMOTRY-UHFFFAOYSA-N 1 2 282.428 2.328 20 30 CEEDLO COc1cc(C#N)ccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000766642762 645907287 /nfs/dbraw/zinc/90/72/87/645907287.db2.gz CJBKNMMDLRBNJV-UHFFFAOYSA-N 1 2 292.298 2.467 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878311033 651062844 /nfs/dbraw/zinc/06/28/44/651062844.db2.gz YNTIWMSACPYFQA-GFCCVEGCSA-N 1 2 293.333 2.079 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@]1(C)CCCS1 ZINC000862226536 646370581 /nfs/dbraw/zinc/37/05/81/646370581.db2.gz INNPVAHZXUBMTK-ZDUSSCGKSA-N 1 2 257.399 2.323 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)C[C@]1(C)CCCS1 ZINC000862226536 646370586 /nfs/dbraw/zinc/37/05/86/646370586.db2.gz INNPVAHZXUBMTK-ZDUSSCGKSA-N 1 2 257.399 2.323 20 30 CEEDLO Cc1[nH]c(CN2CCC[C@](C#N)(c3ccccn3)C2)[nH+]c1C ZINC000862409322 646445086 /nfs/dbraw/zinc/44/50/86/646445086.db2.gz RZUWXZUJPSXMJF-QGZVFWFLSA-N 1 2 295.390 2.479 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000862530686 646485836 /nfs/dbraw/zinc/48/58/36/646485836.db2.gz QLWWRVKCHXOTOR-OAHLLOKOSA-N 1 2 277.339 2.259 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000862530686 646485841 /nfs/dbraw/zinc/48/58/41/646485841.db2.gz QLWWRVKCHXOTOR-OAHLLOKOSA-N 1 2 277.339 2.259 20 30 CEEDLO C#CC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774033045 646796904 /nfs/dbraw/zinc/79/69/04/646796904.db2.gz OUKOSONQWXMUBY-DZGCQCFKSA-N 1 2 294.757 2.364 20 30 CEEDLO C#CC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774033045 646796905 /nfs/dbraw/zinc/79/69/05/646796905.db2.gz OUKOSONQWXMUBY-DZGCQCFKSA-N 1 2 294.757 2.364 20 30 CEEDLO C#C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@H]1CCCO1 ZINC000775797519 646994311 /nfs/dbraw/zinc/99/43/11/646994311.db2.gz DQISCDYTWSFTAA-UONOGXRCSA-N 1 2 291.420 2.012 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000776803215 647091761 /nfs/dbraw/zinc/09/17/61/647091761.db2.gz XHDQHHBBQVNTQH-UHFFFAOYSA-N 1 2 290.326 2.478 20 30 CEEDLO N#CCc1ccnc(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000777032016 647104609 /nfs/dbraw/zinc/10/46/09/647104609.db2.gz HBUAOXFUNQJUNH-UHFFFAOYSA-N 1 2 277.287 2.048 20 30 CEEDLO CC(C)C[C@@H](C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000777102842 647114389 /nfs/dbraw/zinc/11/43/89/647114389.db2.gz OOMCZRBXXSLFNW-NSHDSACASA-N 1 2 256.309 2.002 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(CF)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000777613853 647157859 /nfs/dbraw/zinc/15/78/59/647157859.db2.gz SAFAOTJGPYZOKI-HNNXBMFYSA-N 1 2 297.395 2.331 20 30 CEEDLO C=CC[N@H+](Cc1ccc(CF)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000777613853 647157863 /nfs/dbraw/zinc/15/78/63/647157863.db2.gz SAFAOTJGPYZOKI-HNNXBMFYSA-N 1 2 297.395 2.331 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000865085936 647175387 /nfs/dbraw/zinc/17/53/87/647175387.db2.gz RJOZNKHJWNJVIA-UHFFFAOYSA-N 1 2 290.432 2.482 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)CC2(CCCCC2)C1=O ZINC000777959533 647192320 /nfs/dbraw/zinc/19/23/20/647192320.db2.gz OPZCWYSBZPSUAG-UHFFFAOYSA-N 1 2 264.369 2.161 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)CC2(CCCCC2)C1=O ZINC000777959533 647192322 /nfs/dbraw/zinc/19/23/22/647192322.db2.gz OPZCWYSBZPSUAG-UHFFFAOYSA-N 1 2 264.369 2.161 20 30 CEEDLO CC(C)[C@H](C(=O)[C@@H](C#N)c1ccncn1)[NH+]1CCCCC1 ZINC000778723565 647257173 /nfs/dbraw/zinc/25/71/73/647257173.db2.gz DEOQAASGJYBQBP-DZGCQCFKSA-N 1 2 286.379 2.163 20 30 CEEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3ccncc3)cc2F)N1 ZINC000779783242 647349952 /nfs/dbraw/zinc/34/99/52/647349952.db2.gz IJMTYUXUWJKXLK-NSHDSACASA-N 1 2 297.337 2.159 20 30 CEEDLO Cn1ncc(Cl)c1C=NNc1cc[nH+]c2ccccc12 ZINC000780225685 647401250 /nfs/dbraw/zinc/40/12/50/647401250.db2.gz UILCIKNFCPNWPB-UHFFFAOYSA-N 1 2 285.738 2.490 20 30 CEEDLO C#CCOCCNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865675214 647419066 /nfs/dbraw/zinc/41/90/66/647419066.db2.gz WAGJEJYSJQQTGF-UHFFFAOYSA-N 1 2 282.347 2.150 20 30 CEEDLO C#CCOCCNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865675214 647419067 /nfs/dbraw/zinc/41/90/67/647419067.db2.gz WAGJEJYSJQQTGF-UHFFFAOYSA-N 1 2 282.347 2.150 20 30 CEEDLO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866250224 647695157 /nfs/dbraw/zinc/69/51/57/647695157.db2.gz WTEOYXIAFBVKQK-NEPJUHHUSA-N 1 2 282.347 2.336 20 30 CEEDLO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000866267834 647706375 /nfs/dbraw/zinc/70/63/75/647706375.db2.gz UOMDQETVPZGBIG-OCCSQVGLSA-N 1 2 290.363 2.110 20 30 CEEDLO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866273784 647711090 /nfs/dbraw/zinc/71/10/90/647711090.db2.gz BKBCYHFNRYJHTN-SMDDNHRTSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(C#N)c1O ZINC000866299979 647723014 /nfs/dbraw/zinc/72/30/14/647723014.db2.gz QJNFZPSLBWQVJB-HZMBPMFUSA-N 1 2 260.337 2.075 20 30 CEEDLO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866310802 647730641 /nfs/dbraw/zinc/73/06/41/647730641.db2.gz WBQOFGREJJIWMI-YGRLFVJLSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(C#N)c1O ZINC000866366191 647758812 /nfs/dbraw/zinc/75/88/12/647758812.db2.gz YIIFAMNRSCEVAS-XHDPSFHLSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C#N)c1O ZINC000866367090 647759415 /nfs/dbraw/zinc/75/94/15/647759415.db2.gz WDEAJVPUUMATPZ-GXFFZTMASA-N 1 2 268.320 2.256 20 30 CEEDLO CCOc1cccc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000784050565 647793908 /nfs/dbraw/zinc/79/39/08/647793908.db2.gz YAEGJTYXKXAYOI-UHFFFAOYSA-N 1 2 289.310 2.457 20 30 CEEDLO CC(C)(C#N)CCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000784367125 647842583 /nfs/dbraw/zinc/84/25/83/647842583.db2.gz WGSSMGDTHKQHQC-UHFFFAOYSA-N 1 2 275.352 2.470 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000788306182 648172119 /nfs/dbraw/zinc/17/21/19/648172119.db2.gz KWZCTKBPROYCEB-UHFFFAOYSA-N 1 2 287.294 2.050 20 30 CEEDLO Cc1ccn(C[N@@H+]2CCSC(C)(C)CC2)c(=O)c1C#N ZINC000788375838 648178286 /nfs/dbraw/zinc/17/82/86/648178286.db2.gz DKZVDXVMOHKVQA-UHFFFAOYSA-N 1 2 291.420 2.203 20 30 CEEDLO Cc1ccn(C[N@H+]2CCSC(C)(C)CC2)c(=O)c1C#N ZINC000788375838 648178289 /nfs/dbraw/zinc/17/82/89/648178289.db2.gz DKZVDXVMOHKVQA-UHFFFAOYSA-N 1 2 291.420 2.203 20 30 CEEDLO Cc1ccc(C=NNc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000790299994 648403609 /nfs/dbraw/zinc/40/36/09/648403609.db2.gz NTBZKCQKFGIIGI-UHFFFAOYSA-N 1 2 259.269 2.083 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790302539 648405139 /nfs/dbraw/zinc/40/51/39/648405139.db2.gz UNWKDACTNCWRMV-LLVKDONJSA-N 1 2 269.308 2.157 20 30 CEEDLO CON=Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791454615 648529245 /nfs/dbraw/zinc/52/92/45/648529245.db2.gz HFPYYLQRHVLHGI-UHFFFAOYSA-N 1 2 285.303 2.001 20 30 CEEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793615729 648782607 /nfs/dbraw/zinc/78/26/07/648782607.db2.gz NTDRYKPSWQJZRX-JKSUJKDBSA-N 1 2 289.375 2.493 20 30 CEEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793615729 648782610 /nfs/dbraw/zinc/78/26/10/648782610.db2.gz NTDRYKPSWQJZRX-JKSUJKDBSA-N 1 2 289.375 2.493 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000794405188 648862823 /nfs/dbraw/zinc/86/28/23/648862823.db2.gz USCAFTBWOJIVSG-AWEZNQCLSA-N 1 2 281.315 2.068 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C#N)o2)C1 ZINC000794405188 648862831 /nfs/dbraw/zinc/86/28/31/648862831.db2.gz USCAFTBWOJIVSG-AWEZNQCLSA-N 1 2 281.315 2.068 20 30 CEEDLO NC(=[NH+]OC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000794519374 648874522 /nfs/dbraw/zinc/87/45/22/648874522.db2.gz QPJVMBRWVKKSAJ-LLVKDONJSA-N 1 2 254.717 2.156 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794688669 648904045 /nfs/dbraw/zinc/90/40/45/648904045.db2.gz ZTYDRZCERDZZPK-NSHDSACASA-N 1 2 293.440 2.485 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794688669 648904048 /nfs/dbraw/zinc/90/40/48/648904048.db2.gz ZTYDRZCERDZZPK-NSHDSACASA-N 1 2 293.440 2.485 20 30 CEEDLO Cc1c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cnn1C ZINC000794715293 648905905 /nfs/dbraw/zinc/90/59/05/648905905.db2.gz XACXYNKSJXLLEP-WAYWQWQTSA-N 1 2 290.392 2.143 20 30 CEEDLO Cc1cc(CNC(=O)Nc2cc(CC#N)ccn2)cc(C)[nH+]1 ZINC000871734189 649163045 /nfs/dbraw/zinc/16/30/45/649163045.db2.gz PWDNHZMGSIRYMM-UHFFFAOYSA-N 1 2 295.346 2.481 20 30 CEEDLO COc1ccc2c(c1)CCC2=NNCCCn1cc[nH+]c1 ZINC000872387687 649376929 /nfs/dbraw/zinc/37/69/29/649376929.db2.gz UZQDDQUFLCRXHU-UHFFFAOYSA-N 1 2 284.363 2.222 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@H](C2CCCCC2)CC1=O ZINC000872600555 649436061 /nfs/dbraw/zinc/43/60/61/649436061.db2.gz LECXWJMYJFQFDL-CQSZACIVSA-N 1 2 250.386 2.491 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@H](C2CCCCC2)CC1=O ZINC000872600555 649436064 /nfs/dbraw/zinc/43/60/64/649436064.db2.gz LECXWJMYJFQFDL-CQSZACIVSA-N 1 2 250.386 2.491 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1scnc1Cl)[C@H]1CCCO1 ZINC000878452367 651095824 /nfs/dbraw/zinc/09/58/24/651095824.db2.gz BODOEFAVCYZLKG-RKDXNWHRSA-N 1 2 256.758 2.067 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H](C)N1CC#N ZINC000878775033 651183562 /nfs/dbraw/zinc/18/35/62/651183562.db2.gz ZDZJOSBLGRYJHR-TXEJJXNPSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H](C)N1CC#N ZINC000878775033 651183564 /nfs/dbraw/zinc/18/35/64/651183564.db2.gz ZDZJOSBLGRYJHR-TXEJJXNPSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000878817006 651191850 /nfs/dbraw/zinc/19/18/50/651191850.db2.gz NREZBUPRRVCKTK-SECBINFHSA-N 1 2 288.319 2.075 20 30 CEEDLO CCCCOC(=O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433971 651303406 /nfs/dbraw/zinc/30/34/06/651303406.db2.gz AGBKEPBRTYYBPU-UHFFFAOYSA-N 1 2 274.364 2.376 20 30 CEEDLO CCCCOC(=O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433971 651303407 /nfs/dbraw/zinc/30/34/07/651303407.db2.gz AGBKEPBRTYYBPU-UHFFFAOYSA-N 1 2 274.364 2.376 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634889 651333933 /nfs/dbraw/zinc/33/39/33/651333933.db2.gz ZJEDPJHPPCPEEK-HZPDHXFCSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634889 651333935 /nfs/dbraw/zinc/33/39/35/651333935.db2.gz ZJEDPJHPPCPEEK-HZPDHXFCSA-N 1 2 277.364 2.006 20 30 CEEDLO N#Cc1csc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000880221406 651402575 /nfs/dbraw/zinc/40/25/75/651402575.db2.gz GZYVAFXOGJVNLR-OTVXOJSOSA-N 1 2 285.372 2.155 20 30 CEEDLO C=CCC[NH2+][C@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000880386591 651434373 /nfs/dbraw/zinc/43/43/73/651434373.db2.gz GYDKSHFWNHGILD-OAHLLOKOSA-N 1 2 265.328 2.466 20 30 CEEDLO Cc1nc(C#N)cc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000881787167 651885032 /nfs/dbraw/zinc/88/50/32/651885032.db2.gz ZPTORJHAPARBJE-UHFFFAOYSA-N 1 2 280.335 2.396 20 30 CEEDLO C=CCCOCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873698 652243630 /nfs/dbraw/zinc/24/36/30/652243630.db2.gz IANYLYZKYGSWDI-MRXNPFEDSA-N 1 2 299.374 2.333 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)c1ccccc1 ZINC000883048891 652346570 /nfs/dbraw/zinc/34/65/70/652346570.db2.gz XRHNEQBUVJIRHA-CYBMUJFWSA-N 1 2 287.363 2.122 20 30 CEEDLO C=CCCn1cc(CNc2c[nH+]c(C)c(C)c2)nn1 ZINC000883341805 652437096 /nfs/dbraw/zinc/43/70/96/652437096.db2.gz ZWYMIFAHGIZVTP-UHFFFAOYSA-N 1 2 257.341 2.478 20 30 CEEDLO C#CCC1(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CCCCC1 ZINC000800212857 652688845 /nfs/dbraw/zinc/68/88/45/652688845.db2.gz DCIXRKKHWHVFCP-OAHLLOKOSA-N 1 2 293.407 2.224 20 30 CEEDLO C#CCC1(C(=O)OCC[N@H+]2CCO[C@H](C)C2)CCCCC1 ZINC000800212857 652688848 /nfs/dbraw/zinc/68/88/48/652688848.db2.gz DCIXRKKHWHVFCP-OAHLLOKOSA-N 1 2 293.407 2.224 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000884610037 652941940 /nfs/dbraw/zinc/94/19/40/652941940.db2.gz BSKXBDVONDFNGT-JTQLQIEISA-N 1 2 265.338 2.166 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000884610037 652941942 /nfs/dbraw/zinc/94/19/42/652941942.db2.gz BSKXBDVONDFNGT-JTQLQIEISA-N 1 2 265.338 2.166 20 30 CEEDLO C[C@@H](Cc1ccc(Cl)cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001168185152 806385519 /nfs/dbraw/zinc/38/55/19/806385519.db2.gz XIMDVKKCQXCIGK-FZMZJTMJSA-N 1 2 263.772 2.068 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1-c1ccccc1 ZINC001038477256 806502012 /nfs/dbraw/zinc/50/20/12/806502012.db2.gz MHGSMORJNAHAKV-OAHLLOKOSA-N 1 2 294.354 2.384 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1-c1ccccc1 ZINC001038477256 806502014 /nfs/dbraw/zinc/50/20/14/806502014.db2.gz MHGSMORJNAHAKV-OAHLLOKOSA-N 1 2 294.354 2.384 20 30 CEEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC001117569612 814931812 /nfs/dbraw/zinc/93/18/12/814931812.db2.gz PFGSISDVGAYIHZ-UHFFFAOYSA-N 1 2 284.403 2.358 20 30 CEEDLO C=C(C)c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1 ZINC001168368400 806900501 /nfs/dbraw/zinc/90/05/01/806900501.db2.gz MQMLVLQYDOKNTC-CQSZACIVSA-N 1 2 273.380 2.390 20 30 CEEDLO C=C(C)c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1 ZINC001168368400 806900502 /nfs/dbraw/zinc/90/05/02/806900502.db2.gz MQMLVLQYDOKNTC-CQSZACIVSA-N 1 2 273.380 2.390 20 30 CEEDLO N#Cc1c[nH]c2nc(N3CCC(n4cc[nH+]c4)CC3)ccc12 ZINC001167125937 802514856 /nfs/dbraw/zinc/51/48/56/802514856.db2.gz KCUWVPNIGVOEJI-UHFFFAOYSA-N 1 2 292.346 2.473 20 30 CEEDLO N#Cc1cnc(N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC001167125681 802514879 /nfs/dbraw/zinc/51/48/79/802514879.db2.gz FAAPXPLPPIGDCY-UHFFFAOYSA-N 1 2 271.299 2.130 20 30 CEEDLO CCC[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1ccon1 ZINC001266560787 802718324 /nfs/dbraw/zinc/71/83/24/802718324.db2.gz WXIPMANTOGGRCJ-UHFFFAOYSA-N 1 2 291.395 2.052 20 30 CEEDLO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1ccon1 ZINC001266560787 802718328 /nfs/dbraw/zinc/71/83/28/802718328.db2.gz WXIPMANTOGGRCJ-UHFFFAOYSA-N 1 2 291.395 2.052 20 30 CEEDLO C#Cc1cc(Nc2cc(OC)c(OC)cc2F)cc[nH+]1 ZINC001215716329 802853510 /nfs/dbraw/zinc/85/35/10/802853510.db2.gz ANNOEWLVUUSJAC-UHFFFAOYSA-N 1 2 272.279 2.385 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC001093497203 814935840 /nfs/dbraw/zinc/93/58/40/814935840.db2.gz YTVXSGKFTATGAV-UHFFFAOYSA-N 1 2 298.402 2.002 20 30 CEEDLO Cc1cn(C)nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000724060409 803022386 /nfs/dbraw/zinc/02/23/86/803022386.db2.gz VERWLNVMUSCOKA-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO Cc1cn(C)nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000724060409 803022393 /nfs/dbraw/zinc/02/23/93/803022393.db2.gz VERWLNVMUSCOKA-UHFFFAOYSA-N 1 2 254.337 2.232 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CCO1 ZINC000721518948 803148375 /nfs/dbraw/zinc/14/83/75/803148375.db2.gz ZPTHMUIRKDZXLN-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CCO1 ZINC000721518948 803148379 /nfs/dbraw/zinc/14/83/79/803148379.db2.gz ZPTHMUIRKDZXLN-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO C=C[C@@H](CCCCCCC)OC[C@H]([NH3+])C(=O)OC ZINC001217883395 803484457 /nfs/dbraw/zinc/48/44/57/803484457.db2.gz FDBPJONYRQGEOB-STQMWFEESA-N 1 2 257.374 2.418 20 30 CEEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001267672309 803651564 /nfs/dbraw/zinc/65/15/64/803651564.db2.gz UWUAFXRKRLQGOR-OAHLLOKOSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccncc2s1 ZINC001038356942 803686480 /nfs/dbraw/zinc/68/64/80/803686480.db2.gz MAKXVPXPQLHUAD-GFCCVEGCSA-N 1 2 287.388 2.286 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccncc2s1 ZINC001038356942 803686483 /nfs/dbraw/zinc/68/64/83/803686483.db2.gz MAKXVPXPQLHUAD-GFCCVEGCSA-N 1 2 287.388 2.286 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001027820193 804276270 /nfs/dbraw/zinc/27/62/70/804276270.db2.gz DMZSZIRSSKPOSG-GDKBPFBDSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001027820193 804276273 /nfs/dbraw/zinc/27/62/73/804276273.db2.gz DMZSZIRSSKPOSG-GDKBPFBDSA-N 1 2 270.804 2.366 20 30 CEEDLO C#CC[C@@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OC ZINC001118577875 815026796 /nfs/dbraw/zinc/02/67/96/815026796.db2.gz NELZCLXSTACMOF-YMAMQOFZSA-N 1 2 263.381 2.500 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CC(C2CC2)C2CC2)C1 ZINC001268492233 804757004 /nfs/dbraw/zinc/75/70/04/804757004.db2.gz TUIICLAPBVCXJQ-UHFFFAOYSA-N 1 2 262.397 2.189 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](OCC)C(=C)C)C1 ZINC001269799700 805255908 /nfs/dbraw/zinc/25/59/08/805255908.db2.gz DDDMUKKBCJQWEU-HNNXBMFYSA-N 1 2 280.412 2.076 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3scnc32)C1 ZINC001030302049 807140305 /nfs/dbraw/zinc/14/03/05/807140305.db2.gz WMXZFUWOAQLIJJ-UHFFFAOYSA-N 1 2 287.388 2.286 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2sc(C)cc2C)C1 ZINC001030376225 807159339 /nfs/dbraw/zinc/15/93/39/807159339.db2.gz XBHQVQPPAIGXQK-UHFFFAOYSA-N 1 2 264.394 2.355 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2occc2-c2ccccc2)C1 ZINC001030642175 807278356 /nfs/dbraw/zinc/27/83/56/807278356.db2.gz KPYOSRVHELILKX-UHFFFAOYSA-N 1 2 294.354 2.384 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038565714 807331966 /nfs/dbraw/zinc/33/19/66/807331966.db2.gz KBBYZVTUDOSCEV-OAHLLOKOSA-N 1 2 297.402 2.095 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038565714 807331975 /nfs/dbraw/zinc/33/19/75/807331975.db2.gz KBBYZVTUDOSCEV-OAHLLOKOSA-N 1 2 297.402 2.095 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001030739411 807352253 /nfs/dbraw/zinc/35/22/53/807352253.db2.gz ZALZPOAHBUCWAX-GFCCVEGCSA-N 1 2 272.339 2.188 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)C2CCC2)C1 ZINC001030751836 807358856 /nfs/dbraw/zinc/35/88/56/807358856.db2.gz VQHGWIQLVAPBTM-UHFFFAOYSA-N 1 2 250.386 2.189 20 30 CEEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC001030903870 807474471 /nfs/dbraw/zinc/47/44/71/807474471.db2.gz YYPOAHNUEJMNOS-INIZCTEOSA-N 1 2 292.423 2.102 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2ccccc2OC(C)C)C1 ZINC001031098954 807649338 /nfs/dbraw/zinc/64/93/38/807649338.db2.gz QYSDVDVTQQXQLY-UHFFFAOYSA-N 1 2 288.391 2.003 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3c2ccn3C)C1 ZINC001031109709 807659417 /nfs/dbraw/zinc/65/94/17/807659417.db2.gz VFICJQPJEOZBLA-UHFFFAOYSA-N 1 2 283.375 2.168 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001031109323 807659605 /nfs/dbraw/zinc/65/96/05/807659605.db2.gz GEHHSPZHOMCWET-AWEZNQCLSA-N 1 2 284.403 2.176 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001031188656 807740607 /nfs/dbraw/zinc/74/06/07/807740607.db2.gz AEALXRMHIYDMIY-UHFFFAOYSA-N 1 2 297.358 2.332 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001031228662 807815735 /nfs/dbraw/zinc/81/57/35/807815735.db2.gz VMSFVKAFPWRHPV-CYBMUJFWSA-N 1 2 296.370 2.360 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001031235806 807824000 /nfs/dbraw/zinc/82/40/00/807824000.db2.gz HDIPNSGDJWCUIF-GFCCVEGCSA-N 1 2 250.386 2.189 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001031271250 807861021 /nfs/dbraw/zinc/86/10/21/807861021.db2.gz BDWLORMGEAVAFW-UHFFFAOYSA-N 1 2 297.358 2.332 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001031281368 807866047 /nfs/dbraw/zinc/86/60/47/807866047.db2.gz KOVFLKFPRUFKOI-JOCQHMNTSA-N 1 2 250.386 2.189 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001031351197 807926308 /nfs/dbraw/zinc/92/63/08/807926308.db2.gz CPOPFFCPDGHOHK-UHFFFAOYSA-N 1 2 282.387 2.003 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC001031420331 807952109 /nfs/dbraw/zinc/95/21/09/807952109.db2.gz UQEBPZBRSROVDA-UHFFFAOYSA-N 1 2 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C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1C ZINC001050799366 812866695 /nfs/dbraw/zinc/86/66/95/812866695.db2.gz VSOFDKDYBSXKNL-OAHLLOKOSA-N 1 2 288.391 2.002 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057726501 812968596 /nfs/dbraw/zinc/96/85/96/812968596.db2.gz MGNZUDOOVQWXNF-CYBMUJFWSA-N 1 2 288.395 2.400 20 30 CEEDLO C[C@H](Nc1[nH+]cccc1CC#N)[C@H](O)c1cccc(O)c1 ZINC001170671688 813011034 /nfs/dbraw/zinc/01/10/34/813011034.db2.gz BCVNRXYQXYFOKH-NHYWBVRUSA-N 1 2 283.331 2.387 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098084932 813184936 /nfs/dbraw/zinc/18/49/36/813184936.db2.gz YEMIVCLWSJNVBI-NSHDSACASA-N 1 2 262.357 2.058 20 30 CEEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001134428402 813265637 /nfs/dbraw/zinc/26/56/37/813265637.db2.gz LMGGKFQFCWMMBB-NSHDSACASA-N 1 2 294.399 2.001 20 30 CEEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001134410231 813265809 /nfs/dbraw/zinc/26/58/09/813265809.db2.gz KDRHYAVCSFWOBK-UHFFFAOYSA-N 1 2 279.384 2.045 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc[nH]2)CC[C@@H]1C ZINC001071343331 813371734 /nfs/dbraw/zinc/37/17/34/813371734.db2.gz WVKSILBCJCCIRK-NWDGAFQWSA-N 1 2 281.787 2.350 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc[nH]2)CC[C@@H]1C ZINC001071343331 813371738 /nfs/dbraw/zinc/37/17/38/813371738.db2.gz WVKSILBCJCCIRK-NWDGAFQWSA-N 1 2 281.787 2.350 20 30 CEEDLO C=CC[NH2+]CCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001170895113 813627682 /nfs/dbraw/zinc/62/76/82/813627682.db2.gz OJDBXXYPYZYQHU-UWVGGRQHSA-N 1 2 284.297 2.337 20 30 CEEDLO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170895113 813627688 /nfs/dbraw/zinc/62/76/88/813627688.db2.gz OJDBXXYPYZYQHU-UWVGGRQHSA-N 1 2 284.297 2.337 20 30 CEEDLO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170908644 813634358 /nfs/dbraw/zinc/63/43/58/813634358.db2.gz MPSSMINKBOVBTI-MNOVXSKESA-N 1 2 296.308 2.175 20 30 CEEDLO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170908644 813634363 /nfs/dbraw/zinc/63/43/63/813634363.db2.gz MPSSMINKBOVBTI-MNOVXSKESA-N 1 2 296.308 2.175 20 30 CEEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC001136871776 813780829 /nfs/dbraw/zinc/78/08/29/813780829.db2.gz HZPWBGRSLNUAEQ-HNNXBMFYSA-N 1 2 282.347 2.325 20 30 CEEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC001136871776 813780834 /nfs/dbraw/zinc/78/08/34/813780834.db2.gz HZPWBGRSLNUAEQ-HNNXBMFYSA-N 1 2 282.347 2.325 20 30 CEEDLO C[N@@H+](Cc1c(Cl)cccc1C#N)CC1COC1 ZINC001143726019 813867967 /nfs/dbraw/zinc/86/79/67/813867967.db2.gz BZNNNHHOIBBPIO-UHFFFAOYSA-N 1 2 250.729 2.290 20 30 CEEDLO C[N@H+](Cc1c(Cl)cccc1C#N)CC1COC1 ZINC001143726019 813867976 /nfs/dbraw/zinc/86/79/76/813867976.db2.gz BZNNNHHOIBBPIO-UHFFFAOYSA-N 1 2 250.729 2.290 20 30 CEEDLO C=CCOC(=O)N1CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144121356 813963079 /nfs/dbraw/zinc/96/30/79/813963079.db2.gz JLLZMDVHZIZGHD-UHFFFAOYSA-N 1 2 290.363 2.141 20 30 CEEDLO C=C(C)CCC(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112130622 814643648 /nfs/dbraw/zinc/64/36/48/814643648.db2.gz FEUPKSAHZZRFGJ-UHFFFAOYSA-N 1 2 290.411 2.426 20 30 CEEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001112298666 814658192 /nfs/dbraw/zinc/65/81/92/814658192.db2.gz ZDFNXNAKUPTNGL-YPMHNXCESA-N 1 2 274.368 2.010 20 30 CEEDLO Cc1nc(N[C@H](C)CN(C)C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001115714437 814750208 /nfs/dbraw/zinc/75/02/08/814750208.db2.gz IWNCATPKWOVYQU-GFCCVEGCSA-N 1 2 288.395 2.093 20 30 CEEDLO C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)n1cc[nH+]c1 ZINC001115993936 814763714 /nfs/dbraw/zinc/76/37/14/814763714.db2.gz QTOZPVYWWQIWTJ-LBPRGKRZSA-N 1 2 262.357 2.232 20 30 CEEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)CC1CC1 ZINC001116369979 814849110 /nfs/dbraw/zinc/84/91/10/814849110.db2.gz YRFPVNWICIUYEQ-UHFFFAOYSA-N 1 2 258.365 2.170 20 30 CEEDLO C#CC[N@H+](CC(=O)c1cc(C)n(C)c1C)CC1CC1 ZINC001116369979 814849117 /nfs/dbraw/zinc/84/91/17/814849117.db2.gz YRFPVNWICIUYEQ-UHFFFAOYSA-N 1 2 258.365 2.170 20 30 CEEDLO C=CCn1cnnc1SCc1cc(OC)cc(C)[nH+]1 ZINC001116384564 814849977 /nfs/dbraw/zinc/84/99/77/814849977.db2.gz QDYVEPLEGKLYJD-UHFFFAOYSA-N 1 2 276.365 2.468 20 30 CEEDLO COCC[N@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713555010 814863547 /nfs/dbraw/zinc/86/35/47/814863547.db2.gz ZWNXBSJKQWPOIF-ZDUSSCGKSA-N 1 2 254.374 2.054 20 30 CEEDLO COCC[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713555010 814863552 /nfs/dbraw/zinc/86/35/52/814863552.db2.gz ZWNXBSJKQWPOIF-ZDUSSCGKSA-N 1 2 254.374 2.054 20 30 CEEDLO C=CCCC(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001095217227 815750038 /nfs/dbraw/zinc/75/00/38/815750038.db2.gz WXOQSMZJLSLZTM-UHFFFAOYSA-N 1 2 274.368 2.154 20 30 CEEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+]C(C)(C)C#N)CC2 ZINC001173600062 815758132 /nfs/dbraw/zinc/75/81/32/815758132.db2.gz UTUSSSKQCORWFA-AVERBVTBSA-N 1 2 264.369 2.390 20 30 CEEDLO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2C#N)C1 ZINC001173658877 815778430 /nfs/dbraw/zinc/77/84/30/815778430.db2.gz RWUOCEUXWWPXTA-RDBSUJKOSA-N 1 2 264.369 2.486 20 30 CEEDLO CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2C#N)C1 ZINC001173658877 815778434 /nfs/dbraw/zinc/77/84/34/815778434.db2.gz RWUOCEUXWWPXTA-RDBSUJKOSA-N 1 2 264.369 2.486 20 30 CEEDLO N#CC1([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CCCCCC1 ZINC001173733391 815804568 /nfs/dbraw/zinc/80/45/68/815804568.db2.gz IXQBYVBNRFSVLL-ZIAGYGMSSA-N 1 2 288.399 2.363 20 30 CEEDLO C=CCCC(=O)N1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC001095254459 815810434 /nfs/dbraw/zinc/81/04/34/815810434.db2.gz YSRAFRWPIRMALV-UHFFFAOYSA-N 1 2 288.395 2.402 20 30 CEEDLO COc1ccc([NH+]=C(NO)c2ccccc2N)cc1F ZINC001173865858 815832497 /nfs/dbraw/zinc/83/24/97/815832497.db2.gz NSNURLOJRHXTBE-UHFFFAOYSA-N 1 2 275.283 2.474 20 30 CEEDLO C#Cc1cc(Nc2cc(OC)c(OC)c(OC)c2)cc[nH+]1 ZINC001173904502 815840359 /nfs/dbraw/zinc/84/03/59/815840359.db2.gz QAMQHGDQYASLPA-UHFFFAOYSA-N 1 2 284.315 2.254 20 30 CEEDLO CCn1nc(C)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1C ZINC001138642481 815857056 /nfs/dbraw/zinc/85/70/56/815857056.db2.gz CITRNVOHGITNTB-AWEZNQCLSA-N 1 2 291.420 2.294 20 30 CEEDLO CCn1nc(C)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1C ZINC001138642481 815857063 /nfs/dbraw/zinc/85/70/63/815857063.db2.gz CITRNVOHGITNTB-AWEZNQCLSA-N 1 2 291.420 2.294 20 30 CEEDLO C#Cc1cc(Nc2c(OC)ccc(OC)c2OC)cc[nH+]1 ZINC001174052326 815888280 /nfs/dbraw/zinc/88/82/80/815888280.db2.gz JLUSRFBHVBXNJB-UHFFFAOYSA-N 1 2 284.315 2.254 20 30 CEEDLO CCOC(=O)c1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001138856191 815917041 /nfs/dbraw/zinc/91/70/41/815917041.db2.gz KINXAHXRSINZSI-UHFFFAOYSA-N 1 2 298.346 2.090 20 30 CEEDLO CCOC(=O)c1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001138856191 815917046 /nfs/dbraw/zinc/91/70/46/815917046.db2.gz KINXAHXRSINZSI-UHFFFAOYSA-N 1 2 298.346 2.090 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(F)cc(Cl)cc2F)CC1 ZINC001139054235 815951030 /nfs/dbraw/zinc/95/10/30/815951030.db2.gz SVBLAJXCRFLINX-UHFFFAOYSA-N 1 2 284.737 2.369 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)cnc2N)C1 ZINC001139452083 816028384 /nfs/dbraw/zinc/02/83/84/816028384.db2.gz CJHVPOUBAPXPBD-SNVBAGLBSA-N 1 2 294.196 2.272 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)cnc2N)C1 ZINC001139452083 816028387 /nfs/dbraw/zinc/02/83/87/816028387.db2.gz CJHVPOUBAPXPBD-SNVBAGLBSA-N 1 2 294.196 2.272 20 30 CEEDLO C#Cc1cc(Nc2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC001174700973 816070739 /nfs/dbraw/zinc/07/07/39/816070739.db2.gz AKUXQEZFSLMZNS-UHFFFAOYSA-N 1 2 279.343 2.065 20 30 CEEDLO CN(C)c1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC001175250649 816159893 /nfs/dbraw/zinc/15/98/93/816159893.db2.gz UJFSATCCJBLJFW-TZMCWYRMSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC001175250649 816159897 /nfs/dbraw/zinc/15/98/97/816159897.db2.gz UJFSATCCJBLJFW-TZMCWYRMSA-N 1 2 258.369 2.272 20 30 CEEDLO CC[N@H+](CC(=O)OC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140117103 816194150 /nfs/dbraw/zinc/19/41/50/816194150.db2.gz LMRFISHMCSPZSG-UHFFFAOYSA-N 1 2 271.320 2.034 20 30 CEEDLO CC[N@@H+](CC(=O)OC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140117103 816194153 /nfs/dbraw/zinc/19/41/53/816194153.db2.gz LMRFISHMCSPZSG-UHFFFAOYSA-N 1 2 271.320 2.034 20 30 CEEDLO CC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140806066 816365442 /nfs/dbraw/zinc/36/54/42/816365442.db2.gz ARRWYCAZJGIWES-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO CC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140806066 816365450 /nfs/dbraw/zinc/36/54/50/816365450.db2.gz ARRWYCAZJGIWES-UHFFFAOYSA-N 1 2 291.782 2.266 20 30 CEEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cnco1)CCO2 ZINC001140930943 816414619 /nfs/dbraw/zinc/41/46/19/816414619.db2.gz VIEONBHZVQIOEH-GDBMZVCRSA-N 1 2 292.379 2.248 20 30 CEEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cnco1)CCO2 ZINC001140930943 816414622 /nfs/dbraw/zinc/41/46/22/816414622.db2.gz VIEONBHZVQIOEH-GDBMZVCRSA-N 1 2 292.379 2.248 20 30 CEEDLO C[C@H](C#N)c1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001176832043 816482333 /nfs/dbraw/zinc/48/23/33/816482333.db2.gz FZRYRRFQZAYNNI-SNVBAGLBSA-N 1 2 254.293 2.218 20 30 CEEDLO N#Cc1nc2ccc(NC(=O)CCn3cc[nH+]c3)cc2s1 ZINC001176878361 816488278 /nfs/dbraw/zinc/48/82/78/816488278.db2.gz MVBQQWIHCJRBSA-UHFFFAOYSA-N 1 2 297.343 2.393 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)C[C@@H]21 ZINC001176961561 816501629 /nfs/dbraw/zinc/50/16/29/816501629.db2.gz ARCLZDNUDVMNIP-VKGGURKZSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)C[C@@H]21 ZINC001176961561 816501635 /nfs/dbraw/zinc/50/16/35/816501635.db2.gz ARCLZDNUDVMNIP-VKGGURKZSA-N 1 2 292.423 2.076 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001176944112 816504795 /nfs/dbraw/zinc/50/47/95/816504795.db2.gz TYKPNXNYENCHHF-ILYXUJSMSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001176944112 816504801 /nfs/dbraw/zinc/50/48/01/816504801.db2.gz TYKPNXNYENCHHF-ILYXUJSMSA-N 1 2 292.423 2.221 20 30 CEEDLO Cc1cc(C#N)c(F)cc1NC(=O)CN(C)c1cccc[nH+]1 ZINC001177413502 816558234 /nfs/dbraw/zinc/55/82/34/816558234.db2.gz RXXDRXXNCQXPFS-UHFFFAOYSA-N 1 2 298.321 2.476 20 30 CEEDLO C[C@H](C(=O)Nc1c(C#N)ccc(F)c1F)n1cc[nH+]c1 ZINC001177926638 816636611 /nfs/dbraw/zinc/63/66/11/816636611.db2.gz MEUXDCQRZWBHMD-MRVPVSSYSA-N 1 2 276.246 2.233 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)o1 ZINC001142611555 816694102 /nfs/dbraw/zinc/69/41/02/816694102.db2.gz GTQXPHKHKQBYBD-UHFFFAOYSA-N 1 2 296.326 2.496 20 30 CEEDLO COC(=O)c1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)o1 ZINC001142611555 816694107 /nfs/dbraw/zinc/69/41/07/816694107.db2.gz GTQXPHKHKQBYBD-UHFFFAOYSA-N 1 2 296.326 2.496 20 30 CEEDLO C[C@@]1(CO)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164389 816795858 /nfs/dbraw/zinc/79/58/58/816795858.db2.gz FZHMLEWUSMFLEK-CQSZACIVSA-N 1 2 266.291 2.041 20 30 CEEDLO C[C@@]1(CO)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164389 816795865 /nfs/dbraw/zinc/79/58/65/816795865.db2.gz FZHMLEWUSMFLEK-CQSZACIVSA-N 1 2 266.291 2.041 20 30 CEEDLO CCOC(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143173016 816798496 /nfs/dbraw/zinc/79/84/96/816798496.db2.gz 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CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@H](CC)CO1 ZINC000594015229 345567223 /nfs/dbraw/zinc/56/72/23/345567223.db2.gz YESHVBRWQGDHNQ-HUUCEWRRSA-N 1 2 259.353 2.343 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(F)F)cc1F ZINC000594024502 345568726 /nfs/dbraw/zinc/56/87/26/345568726.db2.gz KWFDNMXZASSWNF-AWEZNQCLSA-N 1 2 299.296 2.337 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C)C(=O)OC ZINC000593623183 345515294 /nfs/dbraw/zinc/51/52/94/345515294.db2.gz XGSLXYOTURIIER-MJBXVCDLSA-N 1 2 269.385 2.289 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000594371609 345618293 /nfs/dbraw/zinc/61/82/93/345618293.db2.gz DGHQGBWQUCBUIU-NSHDSACASA-N 1 2 280.331 2.002 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000594371609 345618294 /nfs/dbraw/zinc/61/82/94/345618294.db2.gz DGHQGBWQUCBUIU-NSHDSACASA-N 1 2 280.331 2.002 20 30 CEEDLO Cn1c[nH+]cc1CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403768 345622002 /nfs/dbraw/zinc/62/20/02/345622002.db2.gz NXIBYMQILIGKJA-UHFFFAOYSA-N 1 2 294.358 2.030 20 30 CEEDLO N#Cc1csc(C[NH2+][C@H]2CCc3ccccc3NC2=O)n1 ZINC000594509697 345639885 /nfs/dbraw/zinc/63/98/85/345639885.db2.gz KTKQCOHIJSRWKX-ZDUSSCGKSA-N 1 2 298.371 2.058 20 30 CEEDLO C[C@H](O)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000595008472 345725302 /nfs/dbraw/zinc/72/53/02/345725302.db2.gz UCDFRIYJOMECHH-IINYFYTJSA-N 1 2 273.361 2.226 20 30 CEEDLO CC[N@H+](CC#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595303010 345758363 /nfs/dbraw/zinc/75/83/63/345758363.db2.gz ZQHFQNWOIUAVGH-CYBMUJFWSA-N 1 2 265.401 2.117 20 30 CEEDLO CC[N@@H+](CC#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595303010 345758366 /nfs/dbraw/zinc/75/83/66/345758366.db2.gz ZQHFQNWOIUAVGH-CYBMUJFWSA-N 1 2 265.401 2.117 20 30 CEEDLO COC(=O)C1([NH2+]CCc2ccc(C#N)cc2)CCCC1 ZINC000595391963 345772864 /nfs/dbraw/zinc/77/28/64/345772864.db2.gz CXDCTJVGNKVCTD-UHFFFAOYSA-N 1 2 272.348 2.176 20 30 CEEDLO COC(=O)[C@@](C)([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000595405659 345775470 /nfs/dbraw/zinc/77/54/70/345775470.db2.gz BADHGYGHSJCQCR-INIZCTEOSA-N 1 2 272.348 2.032 20 30 CEEDLO Cc1noc(C[NH+]2CCC(C)(C#N)CC2)c1[N+](=O)[O-] ZINC000595428134 345780312 /nfs/dbraw/zinc/78/03/12/345780312.db2.gz MJIWIGVHIDDUKZ-UHFFFAOYSA-N 1 2 264.285 2.017 20 30 CEEDLO CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CC(C)(C#N)C2)C1 ZINC000595465997 345790021 /nfs/dbraw/zinc/79/00/21/345790021.db2.gz IFELDSDXZKGHCM-CYBMUJFWSA-N 1 2 277.412 2.117 20 30 CEEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000595528288 345804260 /nfs/dbraw/zinc/80/42/60/345804260.db2.gz QBFKATOCZCVFDB-UHFFFAOYSA-N 1 2 288.376 2.449 20 30 CEEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cscn1 ZINC000595669612 345843941 /nfs/dbraw/zinc/84/39/41/345843941.db2.gz XGLCCXMVVJVQRP-LLVKDONJSA-N 1 2 292.408 2.136 20 30 CEEDLO CC(C)Cc1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610432 345826747 /nfs/dbraw/zinc/82/67/47/345826747.db2.gz YNUFPLOLBOWSPW-GFCCVEGCSA-N 1 2 262.357 2.394 20 30 CEEDLO CC(C)Cc1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610432 345826752 /nfs/dbraw/zinc/82/67/52/345826752.db2.gz YNUFPLOLBOWSPW-GFCCVEGCSA-N 1 2 262.357 2.394 20 30 CEEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1C1CC1 ZINC000595614745 345828221 /nfs/dbraw/zinc/82/82/21/345828221.db2.gz NICACRXWIAOSLL-LBPRGKRZSA-N 1 2 259.357 2.047 20 30 CEEDLO Cc1nnc(C[N@H+]2CCC[C@@H](CC#N)C2)n1C1CC1 ZINC000595614745 345828222 /nfs/dbraw/zinc/82/82/22/345828222.db2.gz NICACRXWIAOSLL-LBPRGKRZSA-N 1 2 259.357 2.047 20 30 CEEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595623675 345830571 /nfs/dbraw/zinc/83/05/71/345830571.db2.gz WVSWHSJJNKFVAF-VXGBXAGGSA-N 1 2 260.341 2.177 20 30 CEEDLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595623675 345830575 /nfs/dbraw/zinc/83/05/75/345830575.db2.gz WVSWHSJJNKFVAF-VXGBXAGGSA-N 1 2 260.341 2.177 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595623403 345830743 /nfs/dbraw/zinc/83/07/43/345830743.db2.gz OWHXLTCNZWYECN-LLVKDONJSA-N 1 2 275.308 2.426 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595623403 345830745 /nfs/dbraw/zinc/83/07/45/345830745.db2.gz OWHXLTCNZWYECN-LLVKDONJSA-N 1 2 275.308 2.426 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc3n2CCCCC3)C1 ZINC000595623109 345831014 /nfs/dbraw/zinc/83/10/14/345831014.db2.gz HQSOUBJJUARSKH-ZDUSSCGKSA-N 1 2 273.384 2.130 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc3n2CCCCC3)C1 ZINC000595623109 345831018 /nfs/dbraw/zinc/83/10/18/345831018.db2.gz HQSOUBJJUARSKH-ZDUSSCGKSA-N 1 2 273.384 2.130 20 30 CEEDLO COC(=O)c1cnoc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595631992 345833372 /nfs/dbraw/zinc/83/33/72/345833372.db2.gz ATRRBVKQFDIGFG-UHFFFAOYSA-N 1 2 299.330 2.358 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000595835270 345891527 /nfs/dbraw/zinc/89/15/27/345891527.db2.gz QBIPKUDTNKCYMQ-HNNXBMFYSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000595835270 345891529 /nfs/dbraw/zinc/89/15/29/345891529.db2.gz QBIPKUDTNKCYMQ-HNNXBMFYSA-N 1 2 255.321 2.173 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000595838059 345892952 /nfs/dbraw/zinc/89/29/52/345892952.db2.gz QBRDDUYLXZPMSE-OAHLLOKOSA-N 1 2 276.311 2.348 20 30 CEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000595838059 345892955 /nfs/dbraw/zinc/89/29/55/345892955.db2.gz QBRDDUYLXZPMSE-OAHLLOKOSA-N 1 2 276.311 2.348 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000595838590 345893983 /nfs/dbraw/zinc/89/39/83/345893983.db2.gz WTJNSRHTCPHREW-BLLLJJGKSA-N 1 2 275.396 2.011 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000595838590 345893987 /nfs/dbraw/zinc/89/39/87/345893987.db2.gz WTJNSRHTCPHREW-BLLLJJGKSA-N 1 2 275.396 2.011 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000595839574 345894794 /nfs/dbraw/zinc/89/47/94/345894794.db2.gz JQVWOLGQISRBKJ-HNNXBMFYSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000595839574 345894797 /nfs/dbraw/zinc/89/47/97/345894797.db2.gz JQVWOLGQISRBKJ-HNNXBMFYSA-N 1 2 255.321 2.173 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)C#N ZINC000595813596 345882736 /nfs/dbraw/zinc/88/27/36/345882736.db2.gz WFGRPLWQZHDKIW-SNVBAGLBSA-N 1 2 276.365 2.182 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)C#N ZINC000595813596 345882738 /nfs/dbraw/zinc/88/27/38/345882738.db2.gz WFGRPLWQZHDKIW-SNVBAGLBSA-N 1 2 276.365 2.182 20 30 CEEDLO CCc1nnc(NCc2ccc[nH+]c2N)c(C#N)c1CC ZINC000596253405 345981077 /nfs/dbraw/zinc/98/10/77/345981077.db2.gz SKYDCNLEZOHSEW-UHFFFAOYSA-N 1 2 282.351 2.062 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000596432771 346022498 /nfs/dbraw/zinc/02/24/98/346022498.db2.gz SLRMINXFNJZRQN-UONOGXRCSA-N 1 2 288.395 2.091 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000596432771 346022500 /nfs/dbraw/zinc/02/25/00/346022500.db2.gz SLRMINXFNJZRQN-UONOGXRCSA-N 1 2 288.395 2.091 20 30 CEEDLO C[C@H](CC#N)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000596893175 346102622 /nfs/dbraw/zinc/10/26/22/346102622.db2.gz FVRXIAZXZBZOOB-CYBMUJFWSA-N 1 2 298.346 2.450 20 30 CEEDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccncc1C#N)C2 ZINC000596599638 346063131 /nfs/dbraw/zinc/06/31/31/346063131.db2.gz XFXSZIOEXYNTFH-UHFFFAOYSA-N 1 2 295.390 2.271 20 30 CEEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccncc1C#N)C2 ZINC000596599638 346063135 /nfs/dbraw/zinc/06/31/35/346063135.db2.gz XFXSZIOEXYNTFH-UHFFFAOYSA-N 1 2 295.390 2.271 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000597310939 346170044 /nfs/dbraw/zinc/17/00/44/346170044.db2.gz RVWOITOABZTPBX-HIFRSBDPSA-N 1 2 296.374 2.370 20 30 CEEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000597343269 346174376 /nfs/dbraw/zinc/17/43/76/346174376.db2.gz WQIHPQYTCWXHTQ-WFASDCNBSA-N 1 2 286.379 2.103 20 30 CEEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000597343269 346174380 /nfs/dbraw/zinc/17/43/80/346174380.db2.gz WQIHPQYTCWXHTQ-WFASDCNBSA-N 1 2 286.379 2.103 20 30 CEEDLO COc1ccccc1-n1nccc1C[NH+]1CC(CC#N)C1 ZINC000597202713 346147373 /nfs/dbraw/zinc/14/73/73/346147373.db2.gz AKSVZHVWOBVYOA-UHFFFAOYSA-N 1 2 282.347 2.226 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597228211 346155100 /nfs/dbraw/zinc/15/51/00/346155100.db2.gz BNRGWHRWAXCPBM-INIZCTEOSA-N 1 2 290.363 2.448 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597228211 346155103 /nfs/dbraw/zinc/15/51/03/346155103.db2.gz BNRGWHRWAXCPBM-INIZCTEOSA-N 1 2 290.363 2.448 20 30 CEEDLO CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597231433 346155892 /nfs/dbraw/zinc/15/58/92/346155892.db2.gz NVXVDLRAEXTKEE-HNNXBMFYSA-N 1 2 258.369 2.273 20 30 CEEDLO CCN(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597231433 346155896 /nfs/dbraw/zinc/15/58/96/346155896.db2.gz NVXVDLRAEXTKEE-HNNXBMFYSA-N 1 2 258.369 2.273 20 30 CEEDLO C[C@H](CC#N)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000597624888 346209584 /nfs/dbraw/zinc/20/95/84/346209584.db2.gz FCYAONQQIOUIRJ-BXUZGUMPSA-N 1 2 291.782 2.363 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000597856583 346238873 /nfs/dbraw/zinc/23/88/73/346238873.db2.gz HIBRTVWIFVQKPN-AWEZNQCLSA-N 1 2 282.347 2.141 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000597856583 346238876 /nfs/dbraw/zinc/23/88/76/346238876.db2.gz HIBRTVWIFVQKPN-AWEZNQCLSA-N 1 2 282.347 2.141 20 30 CEEDLO N#CC1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000598315611 346325050 /nfs/dbraw/zinc/32/50/50/346325050.db2.gz SDLDETDFDCIPTJ-LBPRGKRZSA-N 1 2 286.379 2.105 20 30 CEEDLO N#CC1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000598315611 346325052 /nfs/dbraw/zinc/32/50/52/346325052.db2.gz SDLDETDFDCIPTJ-LBPRGKRZSA-N 1 2 286.379 2.105 20 30 CEEDLO C[C@H](CC(=O)NCC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000598316590 346325275 /nfs/dbraw/zinc/32/52/75/346325275.db2.gz WGAZZUVCILUDBG-CYBMUJFWSA-N 1 2 274.368 2.424 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@](C)(C#N)C1 ZINC000598412088 346349501 /nfs/dbraw/zinc/34/95/01/346349501.db2.gz NOIVPYUKYHPQNF-MRXNPFEDSA-N 1 2 282.347 2.107 20 30 CEEDLO COC(=O)C1([NH2+]C[C@@H](O)CC(C)(C)C#N)CCCCCC1 ZINC000598600680 346381828 /nfs/dbraw/zinc/38/18/28/346381828.db2.gz PPYKWNMPIRYJEO-ZDUSSCGKSA-N 1 2 296.411 2.143 20 30 CEEDLO CC[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000116942720 136534286 /nfs/dbraw/zinc/53/42/86/136534286.db2.gz GHXAUXTUHLSFQQ-UHFFFAOYSA-N 1 2 294.196 2.463 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CC2(C1)CCCCC2 ZINC000598836303 346425843 /nfs/dbraw/zinc/42/58/43/346425843.db2.gz FUHVTHRZYQARTI-OAHLLOKOSA-N 1 2 277.412 2.307 20 30 CEEDLO Cc1cc(C)c(C#N)c(NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000598857038 346429415 /nfs/dbraw/zinc/42/94/15/346429415.db2.gz MNEGBNJZCZBRMJ-LBPRGKRZSA-N 1 2 283.335 2.356 20 30 CEEDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000598989483 346442506 /nfs/dbraw/zinc/44/25/06/346442506.db2.gz ISNJFHXCONPNQJ-UHFFFAOYSA-N 1 2 284.241 2.193 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602608289 347099233 /nfs/dbraw/zinc/09/92/33/347099233.db2.gz SULRUVWJBODLCV-VIFPVBQESA-N 1 2 286.301 2.487 20 30 CEEDLO Cc1ccc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1C#N ZINC000599392471 346513281 /nfs/dbraw/zinc/51/32/81/346513281.db2.gz TZEJKINRTKHMDD-UHFFFAOYSA-N 1 2 297.362 2.070 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602605456 347097222 /nfs/dbraw/zinc/09/72/22/347097222.db2.gz RAUXRITZQSXNGR-UHFFFAOYSA-N 1 2 279.384 2.383 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602605456 347097223 /nfs/dbraw/zinc/09/72/23/347097223.db2.gz RAUXRITZQSXNGR-UHFFFAOYSA-N 1 2 279.384 2.383 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000599316940 346498370 /nfs/dbraw/zinc/49/83/70/346498370.db2.gz RQLHFJYSDBBLLJ-IRXDYDNUSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000599316940 346498371 /nfs/dbraw/zinc/49/83/71/346498371.db2.gz RQLHFJYSDBBLLJ-IRXDYDNUSA-N 1 2 286.375 2.247 20 30 CEEDLO COc1cc(C[NH2+]C[C@H](C)C#N)c(Cl)cc1O ZINC000602608119 347099393 /nfs/dbraw/zinc/09/93/93/347099393.db2.gz OZPFLTUNQWLROR-MRVPVSSYSA-N 1 2 254.717 2.303 20 30 CEEDLO COc1nsc(C[NH2+]C[C@@H](C)C#N)c1Br ZINC000602607494 347099459 /nfs/dbraw/zinc/09/94/59/347099459.db2.gz LOGNPUDITJRERS-LURJTMIESA-N 1 2 290.186 2.163 20 30 CEEDLO COc1cc(F)cc(OC)c1C[NH2+]C[C@@H](C)C#N ZINC000602607939 347099505 /nfs/dbraw/zinc/09/95/05/347099505.db2.gz NLBAPCTUUPDNRL-VIFPVBQESA-N 1 2 252.289 2.092 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679114 346562301 /nfs/dbraw/zinc/56/23/01/346562301.db2.gz PLTNZFMYIQFBIJ-INIZCTEOSA-N 1 2 286.375 2.452 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679114 346562304 /nfs/dbraw/zinc/56/23/04/346562304.db2.gz PLTNZFMYIQFBIJ-INIZCTEOSA-N 1 2 286.375 2.452 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCC1CCC1)C2 ZINC000599678271 346562340 /nfs/dbraw/zinc/56/23/40/346562340.db2.gz HCTGCVVZLYRCPX-UHFFFAOYSA-N 1 2 297.402 2.027 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCC1CCC1)C2 ZINC000599678271 346562342 /nfs/dbraw/zinc/56/23/42/346562342.db2.gz HCTGCVVZLYRCPX-UHFFFAOYSA-N 1 2 297.402 2.027 20 30 CEEDLO Cn1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599678742 346562548 /nfs/dbraw/zinc/56/25/48/346562548.db2.gz XWKRBLKPJOCXQH-UHFFFAOYSA-N 1 2 266.348 2.044 20 30 CEEDLO Cn1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599678742 346562552 /nfs/dbraw/zinc/56/25/52/346562552.db2.gz XWKRBLKPJOCXQH-UHFFFAOYSA-N 1 2 266.348 2.044 20 30 CEEDLO CCOC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679426 346563737 /nfs/dbraw/zinc/56/37/37/346563737.db2.gz RTSJRNWPEGQAKX-LBPRGKRZSA-N 1 2 272.348 2.062 20 30 CEEDLO CCOC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679426 346563741 /nfs/dbraw/zinc/56/37/41/346563741.db2.gz RTSJRNWPEGQAKX-LBPRGKRZSA-N 1 2 272.348 2.062 20 30 CEEDLO C[C@@H](CCC#N)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000602612265 347102116 /nfs/dbraw/zinc/10/21/16/347102116.db2.gz HEKOUMKKLONQTL-JSGCOSHPSA-N 1 2 269.352 2.424 20 30 CEEDLO CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000600111815 346599416 /nfs/dbraw/zinc/59/94/16/346599416.db2.gz GDUQEPZYHQUMNS-JTQLQIEISA-N 1 2 277.368 2.400 20 30 CEEDLO CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000600111815 346599420 /nfs/dbraw/zinc/59/94/20/346599420.db2.gz GDUQEPZYHQUMNS-JTQLQIEISA-N 1 2 277.368 2.400 20 30 CEEDLO COC(=O)[C@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1 ZINC000600604254 346660425 /nfs/dbraw/zinc/66/04/25/346660425.db2.gz DVZICNBXTCZYGN-OAHLLOKOSA-N 1 2 270.332 2.328 20 30 CEEDLO CC[C@H](C#N)C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315819 346634142 /nfs/dbraw/zinc/63/41/42/346634142.db2.gz VQWHAXLUBFXVJL-MFKMUULPSA-N 1 2 286.310 2.304 20 30 CEEDLO N#Cc1cccc(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000600775591 346688037 /nfs/dbraw/zinc/68/80/37/346688037.db2.gz KFQXUCOUCIKVRO-UHFFFAOYSA-N 1 2 267.332 2.227 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC2(CCCC2)O1 ZINC000602703965 347159074 /nfs/dbraw/zinc/15/90/74/347159074.db2.gz ULPIESNUZXSMBM-CYBMUJFWSA-N 1 2 271.364 2.487 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC2(CCCC2)O1 ZINC000602703965 347159076 /nfs/dbraw/zinc/15/90/76/347159076.db2.gz ULPIESNUZXSMBM-CYBMUJFWSA-N 1 2 271.364 2.487 20 30 CEEDLO N#Cc1cccc(C[NH2+]Cc2noc3c2CCCC3)n1 ZINC000602662485 347129253 /nfs/dbraw/zinc/12/92/53/347129253.db2.gz GWVCWERRYOEMOU-UHFFFAOYSA-N 1 2 268.320 2.110 20 30 CEEDLO C=C(C)C[C@@H](NCc1c[nH+]c2cccc(C)n12)C(=O)OC ZINC000602733845 347177844 /nfs/dbraw/zinc/17/78/44/347177844.db2.gz LPDDYXBJPLIIIH-CQSZACIVSA-N 1 2 287.363 2.240 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC ZINC000602735077 347178643 /nfs/dbraw/zinc/17/86/43/347178643.db2.gz SFNGKASZKSINPU-XQQFMLRXSA-N 1 2 250.342 2.166 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CSCCF)C(=O)OC ZINC000602738362 347180399 /nfs/dbraw/zinc/18/03/99/347180399.db2.gz JCOMSIBEQNWCES-WDEREUQCSA-N 1 2 263.378 2.175 20 30 CEEDLO CCn1nc(C[NH+]2CCN(CCC#N)CC2)c2ccccc21 ZINC000602748250 347184416 /nfs/dbraw/zinc/18/44/16/347184416.db2.gz LWLOPIKFCYEUNU-UHFFFAOYSA-N 1 2 297.406 2.087 20 30 CEEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000602752503 347185339 /nfs/dbraw/zinc/18/53/39/347185339.db2.gz XTXZATVOPBQFAZ-ZFWWWQNUSA-N 1 2 273.380 2.434 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1c(OC)cccc1C(=O)OC ZINC000602830780 347216297 /nfs/dbraw/zinc/21/62/97/347216297.db2.gz SGILNWRKTSJTIL-UHFFFAOYSA-N 1 2 293.363 2.116 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1c(OC)cccc1C(=O)OC ZINC000602830780 347216299 /nfs/dbraw/zinc/21/62/99/347216299.db2.gz SGILNWRKTSJTIL-UHFFFAOYSA-N 1 2 293.363 2.116 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000602938776 347252473 /nfs/dbraw/zinc/25/24/73/347252473.db2.gz QMTKJFVPDQDGQF-GFCCVEGCSA-N 1 2 297.362 2.049 20 30 CEEDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000602938776 347252474 /nfs/dbraw/zinc/25/24/74/347252474.db2.gz QMTKJFVPDQDGQF-GFCCVEGCSA-N 1 2 297.362 2.049 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ncc(C(C)(C)C)o2)C[C@@H](C)N1CC#N ZINC000602856839 347226949 /nfs/dbraw/zinc/22/69/49/347226949.db2.gz NWTBUQQJRRPFCZ-CHWSQXEVSA-N 1 2 290.411 2.390 20 30 CEEDLO CC(C)c1noc([C@H](C)[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)n1 ZINC000602859439 347227087 /nfs/dbraw/zinc/22/70/87/347227087.db2.gz YRHPXMFIQIGYHB-UPJWGTAASA-N 1 2 291.399 2.172 20 30 CEEDLO CC(C)c1noc([C@@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602859438 347227479 /nfs/dbraw/zinc/22/74/79/347227479.db2.gz YRHPXMFIQIGYHB-FRRDWIJNSA-N 1 2 291.399 2.172 20 30 CEEDLO CC(C)c1noc([C@@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602859438 347227482 /nfs/dbraw/zinc/22/74/82/347227482.db2.gz YRHPXMFIQIGYHB-FRRDWIJNSA-N 1 2 291.399 2.172 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000602860404 347228453 /nfs/dbraw/zinc/22/84/53/347228453.db2.gz BKFUKVFEKWXOIV-VXGBXAGGSA-N 1 2 277.343 2.064 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000602869749 347231936 /nfs/dbraw/zinc/23/19/36/347231936.db2.gz HTLUQYUXENNOKB-QMMMGPOBSA-N 1 2 269.707 2.309 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000602871736 347233034 /nfs/dbraw/zinc/23/30/34/347233034.db2.gz VNNLGYCYCJHCBD-LALPHHSUSA-N 1 2 289.354 2.379 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602880939 347237259 /nfs/dbraw/zinc/23/72/59/347237259.db2.gz OMCCXCDCUFJITE-HNNXBMFYSA-N 1 2 295.346 2.057 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602880939 347237260 /nfs/dbraw/zinc/23/72/60/347237260.db2.gz OMCCXCDCUFJITE-HNNXBMFYSA-N 1 2 295.346 2.057 20 30 CEEDLO N#CCC1(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)CC1 ZINC000602903675 347242319 /nfs/dbraw/zinc/24/23/19/347242319.db2.gz GXOUEYBOYYOHHU-JTQLQIEISA-N 1 2 262.275 2.333 20 30 CEEDLO N#CCC1(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)CC1 ZINC000602903675 347242322 /nfs/dbraw/zinc/24/23/22/347242322.db2.gz GXOUEYBOYYOHHU-JTQLQIEISA-N 1 2 262.275 2.333 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000602947664 347254044 /nfs/dbraw/zinc/25/40/44/347254044.db2.gz RDZWRVUUUCCSSJ-CQSZACIVSA-N 1 2 293.338 2.397 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000602973714 347260343 /nfs/dbraw/zinc/26/03/43/347260343.db2.gz DKZHBPFHRNZVDQ-BARDWOONSA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000602973714 347260344 /nfs/dbraw/zinc/26/03/44/347260344.db2.gz DKZHBPFHRNZVDQ-BARDWOONSA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974077 347260529 /nfs/dbraw/zinc/26/05/29/347260529.db2.gz JSYMZTVTEINKLE-LXTVHRRPSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974077 347260531 /nfs/dbraw/zinc/26/05/31/347260531.db2.gz JSYMZTVTEINKLE-LXTVHRRPSA-N 1 2 277.412 2.400 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973638 347260559 /nfs/dbraw/zinc/26/05/59/347260559.db2.gz CQMMIXYIPLQIRU-DLBZAZTESA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973638 347260560 /nfs/dbraw/zinc/26/05/60/347260560.db2.gz CQMMIXYIPLQIRU-DLBZAZTESA-N 1 2 299.418 2.278 20 30 CEEDLO C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@H]1CCC[C@@H]1C#N ZINC000602974759 347261311 /nfs/dbraw/zinc/26/13/11/347261311.db2.gz TUONUWIBLGFVTE-WBVHZDCISA-N 1 2 297.402 2.195 20 30 CEEDLO C[N@@H+](CC(=O)N1CCc2ccccc2C1)[C@H]1CCC[C@@H]1C#N ZINC000602974759 347261313 /nfs/dbraw/zinc/26/13/13/347261313.db2.gz TUONUWIBLGFVTE-WBVHZDCISA-N 1 2 297.402 2.195 20 30 CEEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000603006973 347271330 /nfs/dbraw/zinc/27/13/30/347271330.db2.gz SVBBAGGBWCRTDU-HZPDHXFCSA-N 1 2 285.391 2.202 20 30 CEEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)OCC)cc1OC ZINC000128576767 187377621 /nfs/dbraw/zinc/37/76/21/187377621.db2.gz VJFJHIBORMXYLQ-UHFFFAOYSA-N 1 2 293.363 2.255 20 30 CEEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)OCC)cc1OC ZINC000128576767 187377623 /nfs/dbraw/zinc/37/76/23/187377623.db2.gz VJFJHIBORMXYLQ-UHFFFAOYSA-N 1 2 293.363 2.255 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000609538282 347642659 /nfs/dbraw/zinc/64/26/59/347642659.db2.gz JTYALWIQRBTNJN-GDBMZVCRSA-N 1 2 272.396 2.308 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505216 347687387 /nfs/dbraw/zinc/68/73/87/347687387.db2.gz CQHBDELVKNLZBW-IUODEOHRSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505216 347687392 /nfs/dbraw/zinc/68/73/92/347687392.db2.gz CQHBDELVKNLZBW-IUODEOHRSA-N 1 2 289.354 2.333 20 30 CEEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000611462486 347781416 /nfs/dbraw/zinc/78/14/16/347781416.db2.gz FCDATPHHQKMVLH-SECBINFHSA-N 1 2 250.264 2.189 20 30 CEEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000611462486 347781417 /nfs/dbraw/zinc/78/14/17/347781417.db2.gz FCDATPHHQKMVLH-SECBINFHSA-N 1 2 250.264 2.189 20 30 CEEDLO Cc1cc(N2CCN(CC3(C#N)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000611428932 347778665 /nfs/dbraw/zinc/77/86/65/347778665.db2.gz FHKROUKJLNDKRC-UHFFFAOYSA-N 1 2 299.422 2.334 20 30 CEEDLO N#Cc1ccc2c(c1)N(c1cc(-n3cc[nH+]c3)ncn1)CC2 ZINC000611133132 347743077 /nfs/dbraw/zinc/74/30/77/347743077.db2.gz RWBVLMOFTCHSSB-UHFFFAOYSA-N 1 2 288.314 2.228 20 30 CEEDLO CC[N@@H+](Cc1cccc(NS(C)(=O)=O)c1)C[C@@H](C)C#N ZINC000611260962 347760307 /nfs/dbraw/zinc/76/03/07/347760307.db2.gz KRKZTOZDWNJNED-LBPRGKRZSA-N 1 2 295.408 2.040 20 30 CEEDLO CC[N@H+](Cc1cccc(NS(C)(=O)=O)c1)C[C@@H](C)C#N ZINC000611260962 347760312 /nfs/dbraw/zinc/76/03/12/347760312.db2.gz KRKZTOZDWNJNED-LBPRGKRZSA-N 1 2 295.408 2.040 20 30 CEEDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(C#N)cc1F ZINC000611586139 347797475 /nfs/dbraw/zinc/79/74/75/347797475.db2.gz FZCQTUGSFYLEKP-SNVBAGLBSA-N 1 2 285.326 2.086 20 30 CEEDLO COc1ccc(CN2CCn3cc(C)[nH+]c3C2)cc1C#N ZINC000611802259 347818311 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/nfs/dbraw/zinc/28/34/74/368283474.db2.gz VFUVBKCOLDWRIZ-UHFFFAOYSA-N 1 2 260.337 2.093 20 30 CEEDLO COC(=O)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000177927574 368283477 /nfs/dbraw/zinc/28/34/77/368283477.db2.gz VFUVBKCOLDWRIZ-UHFFFAOYSA-N 1 2 260.337 2.093 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000682359524 541653112 /nfs/dbraw/zinc/65/31/12/541653112.db2.gz KTBNJCRKJWWRMJ-HNNXBMFYSA-N 1 2 260.337 2.274 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000634581041 368727101 /nfs/dbraw/zinc/72/71/01/368727101.db2.gz PAZHFYVSTDRMNT-ZWNOBZJWSA-N 1 2 268.307 2.117 20 30 CEEDLO CC#CCCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000185847732 368872020 /nfs/dbraw/zinc/87/20/20/368872020.db2.gz WEVJAGBVJWJJRV-LSDHHAIUSA-N 1 2 273.380 2.486 20 30 CEEDLO C=CCOCCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000348051819 368875499 /nfs/dbraw/zinc/87/54/99/368875499.db2.gz RFAACLYGYPGUIV-HNNXBMFYSA-N 1 2 277.364 2.425 20 30 CEEDLO C=CCOCCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000348051819 368875504 /nfs/dbraw/zinc/87/55/04/368875504.db2.gz RFAACLYGYPGUIV-HNNXBMFYSA-N 1 2 277.364 2.425 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000186403337 368969679 /nfs/dbraw/zinc/96/96/79/368969679.db2.gz RHLLNKNNHORJGN-OAHLLOKOSA-N 1 2 276.311 2.225 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000186403337 368969682 /nfs/dbraw/zinc/96/96/82/368969682.db2.gz RHLLNKNNHORJGN-OAHLLOKOSA-N 1 2 276.311 2.225 20 30 CEEDLO Cn1nccc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000348370054 369021183 /nfs/dbraw/zinc/02/11/83/369021183.db2.gz LYMKRIVAHIMCOL-UHFFFAOYSA-N 1 2 257.312 2.043 20 30 CEEDLO Cn1nccc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000348370054 369021189 /nfs/dbraw/zinc/02/11/89/369021189.db2.gz LYMKRIVAHIMCOL-UHFFFAOYSA-N 1 2 257.312 2.043 20 30 CEEDLO C=CCn1cccc1C(=O)NCc1c[nH+]ccc1OC ZINC000348405734 369035963 /nfs/dbraw/zinc/03/59/63/369035963.db2.gz MUFFLJGKJDBJRT-UHFFFAOYSA-N 1 2 271.320 2.008 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000683097377 541761859 /nfs/dbraw/zinc/76/18/59/541761859.db2.gz HIRAQOBHVHCYGR-SFHVURJKSA-N 1 2 297.402 2.476 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000683097377 541761860 /nfs/dbraw/zinc/76/18/60/541761860.db2.gz HIRAQOBHVHCYGR-SFHVURJKSA-N 1 2 297.402 2.476 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635997291 369450842 /nfs/dbraw/zinc/45/08/42/369450842.db2.gz SYRDFGFKLRVYJC-KGLIPLIRSA-N 1 2 285.347 2.106 20 30 CEEDLO N#CCCC[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000358219975 370956784 /nfs/dbraw/zinc/95/67/84/370956784.db2.gz GPWADYQBROPKNB-FQEVSTJZSA-N 1 2 287.388 2.484 20 30 CEEDLO C=C(C)CN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000351528501 369639860 /nfs/dbraw/zinc/63/98/60/369639860.db2.gz FITWCGJJFUJLSJ-UHFFFAOYSA-N 1 2 288.391 2.167 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)N(CC)c1ccccc1 ZINC000191125333 369682414 /nfs/dbraw/zinc/68/24/14/369682414.db2.gz SBUJGIAVYCAMKO-UHFFFAOYSA-N 1 2 276.380 2.174 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)N(CC)c1ccccc1 ZINC000191125333 369682418 /nfs/dbraw/zinc/68/24/18/369682418.db2.gz SBUJGIAVYCAMKO-UHFFFAOYSA-N 1 2 276.380 2.174 20 30 CEEDLO CC(C)[C@@H](NC(=O)COc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000276575628 193386975 /nfs/dbraw/zinc/38/69/75/193386975.db2.gz IXEORNNFBFCDIE-OAHLLOKOSA-N 1 2 298.346 2.174 20 30 CEEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192141683 369776296 /nfs/dbraw/zinc/77/62/96/369776296.db2.gz GQZZBEGHXDXCGV-OAHLLOKOSA-N 1 2 266.348 2.004 20 30 CEEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192141683 369776300 /nfs/dbraw/zinc/77/63/00/369776300.db2.gz GQZZBEGHXDXCGV-OAHLLOKOSA-N 1 2 266.348 2.004 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192226151 369781715 /nfs/dbraw/zinc/78/17/15/369781715.db2.gz UTRVFMSTDOUOEF-SNVBAGLBSA-N 1 2 286.291 2.271 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192226151 369781718 /nfs/dbraw/zinc/78/17/18/369781718.db2.gz UTRVFMSTDOUOEF-SNVBAGLBSA-N 1 2 286.291 2.271 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000192236047 369781905 /nfs/dbraw/zinc/78/19/05/369781905.db2.gz ITMPDKDGQGXBFO-UHFFFAOYSA-N 1 2 299.143 2.092 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000192236047 369781910 /nfs/dbraw/zinc/78/19/10/369781910.db2.gz ITMPDKDGQGXBFO-UHFFFAOYSA-N 1 2 299.143 2.092 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000192226059 369782419 /nfs/dbraw/zinc/78/24/19/369782419.db2.gz QJKCWKLJEDZSOP-VIFPVBQESA-N 1 2 275.377 2.227 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000192226059 369782426 /nfs/dbraw/zinc/78/24/26/369782426.db2.gz QJKCWKLJEDZSOP-VIFPVBQESA-N 1 2 275.377 2.227 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)CCc1c[nH+]cn1C ZINC000193004450 369880790 /nfs/dbraw/zinc/88/07/90/369880790.db2.gz KSPSSJLJLXLAPX-UHFFFAOYSA-N 1 2 268.320 2.172 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccnc(N3CCCC3)c2)n1 ZINC000352836696 369903596 /nfs/dbraw/zinc/90/35/96/369903596.db2.gz WQUZVUCGHLGSSD-UHFFFAOYSA-N 1 2 299.403 2.300 20 30 CEEDLO N#Cc1cc(C(=O)NCCCNc2cccc[nH+]2)ccc1F ZINC000352985360 369970646 /nfs/dbraw/zinc/97/06/46/369970646.db2.gz KIFLULLQMWIZKF-UHFFFAOYSA-N 1 2 298.321 2.324 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc(Cl)c(C#N)s1 ZINC000235157437 370558443 /nfs/dbraw/zinc/55/84/43/370558443.db2.gz VWOPKCPJLCRVHW-ZETCQYMHSA-N 1 2 267.745 2.365 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000331781124 204153579 /nfs/dbraw/zinc/15/35/79/204153579.db2.gz HRRLJBZQUCQULF-LLVKDONJSA-N 1 2 295.346 2.382 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2c(C)cccc2OC)nn1 ZINC000639273403 371176204 /nfs/dbraw/zinc/17/62/04/371176204.db2.gz DGOAJGBYHGMFDN-UHFFFAOYSA-N 1 2 272.352 2.071 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000249802450 371364682 /nfs/dbraw/zinc/36/46/82/371364682.db2.gz AMUALUGDPRMXEI-CHWSQXEVSA-N 1 2 291.370 2.312 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000249802450 371364687 /nfs/dbraw/zinc/36/46/87/371364687.db2.gz AMUALUGDPRMXEI-CHWSQXEVSA-N 1 2 291.370 2.312 20 30 CEEDLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)c1cc(F)cc(C#N)c1 ZINC000353290645 220011888 /nfs/dbraw/zinc/01/18/88/220011888.db2.gz WTOOGGPTNWFYKA-UHFFFAOYSA-N 1 2 286.310 2.014 20 30 CEEDLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)c1cc(F)cc(C#N)c1 ZINC000353290645 220011890 /nfs/dbraw/zinc/01/18/90/220011890.db2.gz WTOOGGPTNWFYKA-UHFFFAOYSA-N 1 2 286.310 2.014 20 30 CEEDLO C[N@H+](Cc1cccs1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360060074 371500985 /nfs/dbraw/zinc/50/09/85/371500985.db2.gz KVVLEBIPGVHZSQ-CQSZACIVSA-N 1 2 285.372 2.278 20 30 CEEDLO C[N@@H+](Cc1cccs1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360060074 371500987 /nfs/dbraw/zinc/50/09/87/371500987.db2.gz KVVLEBIPGVHZSQ-CQSZACIVSA-N 1 2 285.372 2.278 20 30 CEEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)cc1 ZINC000639725986 371520202 /nfs/dbraw/zinc/52/02/02/371520202.db2.gz 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/nfs/dbraw/zinc/40/18/01/372401801.db2.gz QBIKNHWIGFZCDR-ZDUSSCGKSA-N 1 2 292.404 2.247 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)s1 ZINC000362520467 372401807 /nfs/dbraw/zinc/40/18/07/372401807.db2.gz QBIKNHWIGFZCDR-ZDUSSCGKSA-N 1 2 292.404 2.247 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362526690 372406944 /nfs/dbraw/zinc/40/69/44/372406944.db2.gz UEWKRPCQZANUGX-CQSZACIVSA-N 1 2 292.404 2.247 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362526690 372406948 /nfs/dbraw/zinc/40/69/48/372406948.db2.gz UEWKRPCQZANUGX-CQSZACIVSA-N 1 2 292.404 2.247 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)OCC ZINC000270025979 372641453 /nfs/dbraw/zinc/64/14/53/372641453.db2.gz GKGDMGJXLOYIMV-HNNXBMFYSA-N 1 2 291.395 2.418 20 30 CEEDLO C=C(C)[C@H](CC(=O)NCc1cn2ccccc2[nH+]1)OCC ZINC000270111976 372669329 /nfs/dbraw/zinc/66/93/29/372669329.db2.gz JUKLAFLWPNIXHE-AWEZNQCLSA-N 1 2 287.363 2.322 20 30 CEEDLO CC(C)c1nnc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000344665191 217269053 /nfs/dbraw/zinc/26/90/53/217269053.db2.gz CEQRSDGESDPSRV-UHFFFAOYSA-N 1 2 262.338 2.416 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cscc2Cl)nn1 ZINC000643794525 373268101 /nfs/dbraw/zinc/26/81/01/373268101.db2.gz XSHKDPKBPQTGCJ-UHFFFAOYSA-N 1 2 268.773 2.469 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(COC)no1 ZINC000272223589 373369910 /nfs/dbraw/zinc/36/99/10/373369910.db2.gz CKLLBXZTIDNVFT-UHFFFAOYSA-N 1 2 277.324 2.040 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(COC)no1 ZINC000272223589 373369917 /nfs/dbraw/zinc/36/99/17/373369917.db2.gz CKLLBXZTIDNVFT-UHFFFAOYSA-N 1 2 277.324 2.040 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000644878530 373757555 /nfs/dbraw/zinc/75/75/55/373757555.db2.gz PYMIYAHAGFPBIT-RYUDHWBXSA-N 1 2 261.369 2.199 20 30 CEEDLO C#CC[N@@H+](Cc1c(OC)cc(OC)cc1OC)C1CC1 ZINC000274122661 373817770 /nfs/dbraw/zinc/81/77/70/373817770.db2.gz NKFHHNUFACTABA-UHFFFAOYSA-N 1 2 275.348 2.310 20 30 CEEDLO C#CC[N@H+](Cc1c(OC)cc(OC)cc1OC)C1CC1 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COC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415895 374124252 /nfs/dbraw/zinc/12/42/52/374124252.db2.gz LCXJOCDPPVAABN-GFCCVEGCSA-N 1 2 270.332 2.209 20 30 CEEDLO C#CCCC[N@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000275254719 374198765 /nfs/dbraw/zinc/19/87/65/374198765.db2.gz HGKSKQVDSOEOAY-LBPRGKRZSA-N 1 2 250.367 2.238 20 30 CEEDLO C#CCCC[N@@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000275254719 374198770 /nfs/dbraw/zinc/19/87/70/374198770.db2.gz HGKSKQVDSOEOAY-LBPRGKRZSA-N 1 2 250.367 2.238 20 30 CEEDLO C=CCOc1cccc(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276788191 374299993 /nfs/dbraw/zinc/29/99/93/374299993.db2.gz XRUGIKQCCQUBQB-GFCCVEGCSA-N 1 2 272.352 2.231 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000373478072 374362604 /nfs/dbraw/zinc/36/26/04/374362604.db2.gz DGWRCDXNGHUTKY-DLBZAZTESA-N 1 2 286.375 2.328 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000373478072 374362608 /nfs/dbraw/zinc/36/26/08/374362608.db2.gz DGWRCDXNGHUTKY-DLBZAZTESA-N 1 2 286.375 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ZINC000448935823 378192104 /nfs/dbraw/zinc/19/21/04/378192104.db2.gz JYHVDUHIGHSLQX-CQSZACIVSA-N 1 2 282.347 2.141 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+](C)CC(C)(C)C#N)[nH]c1C ZINC000449341502 378203279 /nfs/dbraw/zinc/20/32/79/378203279.db2.gz UOKUQPMKTLHLQS-UHFFFAOYSA-N 1 2 277.368 2.481 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+](C)CC(C)(C)C#N)[nH]c1C ZINC000449341502 378203284 /nfs/dbraw/zinc/20/32/84/378203284.db2.gz UOKUQPMKTLHLQS-UHFFFAOYSA-N 1 2 277.368 2.481 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000448682804 378178795 /nfs/dbraw/zinc/17/87/95/378178795.db2.gz XWXMTHGEFDGITI-GUYCJALGSA-N 1 2 294.358 2.097 20 30 CEEDLO C=CCOc1ccccc1C(=O)NCc1[nH+]ccn1CC ZINC000295729681 378280413 /nfs/dbraw/zinc/28/04/13/378280413.db2.gz LJNLFELNGNAGKH-UHFFFAOYSA-N 1 2 285.347 2.398 20 30 CEEDLO C=C(Cl)CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296251919 378467598 /nfs/dbraw/zinc/46/75/98/378467598.db2.gz CIXSALANHFMODY-JTQLQIEISA-N 1 2 282.775 2.265 20 30 CEEDLO COC(=O)C1([N@H+](C)CC2(C#N)CCC2)CCCC1 ZINC000450600263 378494727 /nfs/dbraw/zinc/49/47/27/378494727.db2.gz RZDNAPGDGLDSOA-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO COC(=O)C1([N@@H+](C)CC2(C#N)CCC2)CCCC1 ZINC000450600263 378494733 /nfs/dbraw/zinc/49/47/33/378494733.db2.gz RZDNAPGDGLDSOA-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C)c2F)C1=O ZINC000296672992 378612802 /nfs/dbraw/zinc/61/28/02/378612802.db2.gz GIFAVLOVSCBQBB-AWEZNQCLSA-N 1 2 276.355 2.353 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C)c2F)C1=O ZINC000296672992 378612806 /nfs/dbraw/zinc/61/28/06/378612806.db2.gz GIFAVLOVSCBQBB-AWEZNQCLSA-N 1 2 276.355 2.353 20 30 CEEDLO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000298469096 378736554 /nfs/dbraw/zinc/73/65/54/378736554.db2.gz PCNMFLCXHJYAED-UHFFFAOYSA-N 1 2 297.358 2.208 20 30 CEEDLO Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000298469096 378736557 /nfs/dbraw/zinc/73/65/57/378736557.db2.gz PCNMFLCXHJYAED-UHFFFAOYSA-N 1 2 297.358 2.208 20 30 CEEDLO CC[N@@H+](Cc1cnn(CC(F)F)c1)C[C@@H](C)C#N ZINC000507585837 379106799 /nfs/dbraw/zinc/10/67/99/379106799.db2.gz UWUVDRSPULPSTO-JTQLQIEISA-N 1 2 256.300 2.130 20 30 CEEDLO CC[N@H+](Cc1cnn(CC(F)F)c1)C[C@@H](C)C#N ZINC000507585837 379106801 /nfs/dbraw/zinc/10/68/01/379106801.db2.gz UWUVDRSPULPSTO-JTQLQIEISA-N 1 2 256.300 2.130 20 30 CEEDLO N#CCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000303978151 379501540 /nfs/dbraw/zinc/50/15/40/379501540.db2.gz DEMLRQMWPNEDGM-OAHLLOKOSA-N 1 2 262.328 2.485 20 30 CEEDLO N#CCC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528764662 380086376 /nfs/dbraw/zinc/08/63/76/380086376.db2.gz YSINEFQSLVFYII-UHFFFAOYSA-N 1 2 254.337 2.204 20 30 CEEDLO COCc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1C#N ZINC000529813960 380187228 /nfs/dbraw/zinc/18/72/28/380187228.db2.gz GELYYHAGETUNDM-LBPRGKRZSA-N 1 2 298.346 2.491 20 30 CEEDLO C=CCSCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000542837283 380317268 /nfs/dbraw/zinc/31/72/68/380317268.db2.gz JXXNELNLAODSNK-UHFFFAOYSA-N 1 2 265.382 2.161 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000491363068 380310517 /nfs/dbraw/zinc/31/05/17/380310517.db2.gz XJQALXKDCRXCMU-GZBFAFLISA-N 1 2 256.349 2.117 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000491363068 380310524 /nfs/dbraw/zinc/31/05/24/380310524.db2.gz XJQALXKDCRXCMU-GZBFAFLISA-N 1 2 256.349 2.117 20 30 CEEDLO CC(C)(C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000543809480 380346703 /nfs/dbraw/zinc/34/67/03/380346703.db2.gz PPEPRHACRWIYAU-UHFFFAOYSA-N 1 2 262.357 2.493 20 30 CEEDLO COC(=O)c1coc(C[N@H+](CCC#N)C(C)C)c1 ZINC000544612682 380357406 /nfs/dbraw/zinc/35/74/06/380357406.db2.gz OISXISNXUGPHRX-UHFFFAOYSA-N 1 2 250.298 2.190 20 30 CEEDLO COC(=O)c1coc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000544612682 380357409 /nfs/dbraw/zinc/35/74/09/380357409.db2.gz OISXISNXUGPHRX-UHFFFAOYSA-N 1 2 250.298 2.190 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552558079 380708911 /nfs/dbraw/zinc/70/89/11/380708911.db2.gz ZNVCPLGZCYHWJT-SNVBAGLBSA-N 1 2 254.293 2.081 20 30 CEEDLO CCCNC(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000554552438 380781506 /nfs/dbraw/zinc/78/15/06/380781506.db2.gz YGGUTYCCDUDFNB-HNNXBMFYSA-N 1 2 298.390 2.360 20 30 CEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000489468087 269689411 /nfs/dbraw/zinc/68/94/11/269689411.db2.gz HKQMNRCPVKOTCG-AWEZNQCLSA-N 1 2 292.404 2.062 20 30 CEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000489468087 269689412 /nfs/dbraw/zinc/68/94/12/269689412.db2.gz HKQMNRCPVKOTCG-AWEZNQCLSA-N 1 2 292.404 2.062 20 30 CEEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000494398547 381156357 /nfs/dbraw/zinc/15/63/57/381156357.db2.gz FQZOECPSXKUSNT-GFCCVEGCSA-N 1 2 279.384 2.231 20 30 CEEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000494398547 381156365 /nfs/dbraw/zinc/15/63/65/381156365.db2.gz FQZOECPSXKUSNT-GFCCVEGCSA-N 1 2 279.384 2.231 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CN1CC(C)(C)OC1=O ZINC000494641046 381161845 /nfs/dbraw/zinc/16/18/45/381161845.db2.gz NVGRZMQUCZWEAQ-UHFFFAOYSA-N 1 2 278.352 2.498 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CN1CC(C)(C)OC1=O ZINC000494641046 381161853 /nfs/dbraw/zinc/16/18/53/381161853.db2.gz NVGRZMQUCZWEAQ-UHFFFAOYSA-N 1 2 278.352 2.498 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496470644 381214960 /nfs/dbraw/zinc/21/49/60/381214960.db2.gz CAWQSVDOMQQHTI-GFCCVEGCSA-N 1 2 272.776 2.482 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496470644 381214967 /nfs/dbraw/zinc/21/49/67/381214967.db2.gz CAWQSVDOMQQHTI-GFCCVEGCSA-N 1 2 272.776 2.482 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1noc2c1CCCC2 ZINC000189424626 542331116 /nfs/dbraw/zinc/33/11/16/542331116.db2.gz RZCXTURYUODGGL-UHFFFAOYSA-N 1 2 250.342 2.188 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1noc2c1CCCC2 ZINC000189424626 542331118 /nfs/dbraw/zinc/33/11/18/542331118.db2.gz RZCXTURYUODGGL-UHFFFAOYSA-N 1 2 250.342 2.188 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000335305820 208150613 /nfs/dbraw/zinc/15/06/13/208150613.db2.gz JPCHLAMMWAWOTE-UHFFFAOYSA-N 1 2 281.319 2.111 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)ccc1F ZINC000335405984 208384115 /nfs/dbraw/zinc/38/41/15/208384115.db2.gz CMCLQUBIWOFPRT-HNNXBMFYSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)ccc1F ZINC000335405984 208384121 /nfs/dbraw/zinc/38/41/21/208384121.db2.gz CMCLQUBIWOFPRT-HNNXBMFYSA-N 1 2 292.379 2.405 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000192219094 533110671 /nfs/dbraw/zinc/11/06/71/533110671.db2.gz DUAHGZCVYXARQP-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000192219094 533110676 /nfs/dbraw/zinc/11/06/76/533110676.db2.gz DUAHGZCVYXARQP-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C#CC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000192219883 533112811 /nfs/dbraw/zinc/11/28/11/533112811.db2.gz KWAMADUTGTZITO-ZDUSSCGKSA-N 1 2 262.740 2.010 20 30 CEEDLO C#CC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000192219883 533112814 /nfs/dbraw/zinc/11/28/14/533112814.db2.gz KWAMADUTGTZITO-ZDUSSCGKSA-N 1 2 262.740 2.010 20 30 CEEDLO O=C(Nc1nnc(C2CCC2)[nH]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330219639 285231388 /nfs/dbraw/zinc/23/13/88/285231388.db2.gz KGAHCMNZGSWWON-LLVKDONJSA-N 1 2 275.356 2.287 20 30 CEEDLO O=C(Nc1nnc(C2CCC2)[nH]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330219639 285231391 /nfs/dbraw/zinc/23/13/91/285231391.db2.gz KGAHCMNZGSWWON-LLVKDONJSA-N 1 2 275.356 2.287 20 30 CEEDLO O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330219639 285231392 /nfs/dbraw/zinc/23/13/92/285231392.db2.gz KGAHCMNZGSWWON-LLVKDONJSA-N 1 2 275.356 2.287 20 30 CEEDLO O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330219639 285231393 /nfs/dbraw/zinc/23/13/93/285231393.db2.gz KGAHCMNZGSWWON-LLVKDONJSA-N 1 2 275.356 2.287 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cnc(N(CC)CC)s1 ZINC000093461331 184677964 /nfs/dbraw/zinc/67/79/64/184677964.db2.gz ZYFUNDAPKAWGKN-UHFFFAOYSA-N 1 2 261.394 2.058 20 30 CEEDLO CCC[C@H]([NH2+]CCc1cccc(C#N)c1)C(=O)OCC ZINC000355666608 394494105 /nfs/dbraw/zinc/49/41/05/394494105.db2.gz CWFRCIXHJNQPKC-HNNXBMFYSA-N 1 2 274.364 2.422 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H](C)CC#N)C2 ZINC000355667939 394495113 /nfs/dbraw/zinc/49/51/13/394495113.db2.gz FDQJYIDSTQYNLM-NWDGAFQWSA-N 1 2 288.395 2.399 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H](C)CC#N)CC2 ZINC000355667939 394495117 /nfs/dbraw/zinc/49/51/17/394495117.db2.gz FDQJYIDSTQYNLM-NWDGAFQWSA-N 1 2 288.395 2.399 20 30 CEEDLO Cn1nc2c(c1CNC(=O)CCc1[nH]cc[nH+]1)CCCC2 ZINC000329724570 394580844 /nfs/dbraw/zinc/58/08/44/394580844.db2.gz FZUJMCKYSVPPBP-UHFFFAOYSA-N 1 2 287.367 2.111 20 30 CEEDLO Cc1noc(C2CC2)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000329815327 394587438 /nfs/dbraw/zinc/58/74/38/394587438.db2.gz VEFAXYPBXXCBOG-UHFFFAOYSA-N 1 2 261.285 2.110 20 30 CEEDLO C[N@H+](Cc1nnc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000049000435 394540115 /nfs/dbraw/zinc/54/01/15/394540115.db2.gz AYYGBQQHPRULPN-UHFFFAOYSA-N 1 2 268.320 2.451 20 30 CEEDLO C[N@@H+](Cc1nnc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000049000435 394540118 /nfs/dbraw/zinc/54/01/18/394540118.db2.gz AYYGBQQHPRULPN-UHFFFAOYSA-N 1 2 268.320 2.451 20 30 CEEDLO CCC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC000328912073 394556345 /nfs/dbraw/zinc/55/63/45/394556345.db2.gz OSLNSKQHUQHKDM-GFCCVEGCSA-N 1 2 277.368 2.361 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000334234812 394666781 /nfs/dbraw/zinc/66/67/81/394666781.db2.gz GTHPHKYHURWPDC-CYBMUJFWSA-N 1 2 286.379 2.210 20 30 CEEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCNC(=O)N(C)C ZINC000330615137 394621619 /nfs/dbraw/zinc/62/16/19/394621619.db2.gz CENQLCSEULEDST-LLVKDONJSA-N 1 2 296.415 2.441 20 30 CEEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCNC(=O)N(C)C ZINC000330615137 394621624 /nfs/dbraw/zinc/62/16/24/394621624.db2.gz CENQLCSEULEDST-LLVKDONJSA-N 1 2 296.415 2.441 20 30 CEEDLO C[NH+](C)[C@H](CNC(=O)C(C)(C)C#N)c1c(F)cccc1F ZINC000265334015 394647281 /nfs/dbraw/zinc/64/72/81/394647281.db2.gz TWOZPOPIIKMRGI-GFCCVEGCSA-N 1 2 295.333 2.233 20 30 CEEDLO CCOc1ccc(OC[C@H](O)C[N@H+](CC)CCC#N)cc1 ZINC000266968526 394672450 /nfs/dbraw/zinc/67/24/50/394672450.db2.gz ZDTKJNSKGLEGBE-CQSZACIVSA-N 1 2 292.379 2.061 20 30 CEEDLO CCOc1ccc(OC[C@H](O)C[N@@H+](CC)CCC#N)cc1 ZINC000266968526 394672454 /nfs/dbraw/zinc/67/24/54/394672454.db2.gz ZDTKJNSKGLEGBE-CQSZACIVSA-N 1 2 292.379 2.061 20 30 CEEDLO N#Cc1csc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)n1 ZINC000414479717 394744778 /nfs/dbraw/zinc/74/47/78/394744778.db2.gz BCRDQUSPLLYMHH-KGLIPLIRSA-N 1 2 285.372 2.323 20 30 CEEDLO N#Cc1csc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)n1 ZINC000414479717 394744783 /nfs/dbraw/zinc/74/47/83/394744783.db2.gz BCRDQUSPLLYMHH-KGLIPLIRSA-N 1 2 285.372 2.323 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000334398784 394682122 /nfs/dbraw/zinc/68/21/22/394682122.db2.gz DINOCGALFGIERO-HNNXBMFYSA-N 1 2 294.358 2.116 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](CF)C2)c1 ZINC000414474194 394745062 /nfs/dbraw/zinc/74/50/62/394745062.db2.gz XDXFIFXWZZPAHH-HNNXBMFYSA-N 1 2 265.328 2.422 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](CF)C2)c1 ZINC000414474194 394745068 /nfs/dbraw/zinc/74/50/68/394745068.db2.gz XDXFIFXWZZPAHH-HNNXBMFYSA-N 1 2 265.328 2.422 20 30 CEEDLO Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c(C)c1 ZINC000268283159 394692116 /nfs/dbraw/zinc/69/21/16/394692116.db2.gz GQBKEAPVWOFHGH-HUUCEWRRSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)c(C)c1 ZINC000268283159 394692119 /nfs/dbraw/zinc/69/21/19/394692119.db2.gz GQBKEAPVWOFHGH-HUUCEWRRSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N ZINC000268322951 394692812 /nfs/dbraw/zinc/69/28/12/394692812.db2.gz UPMIAYBJQMFEIL-CABCVRRESA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N ZINC000268322951 394692815 /nfs/dbraw/zinc/69/28/15/394692815.db2.gz UPMIAYBJQMFEIL-CABCVRRESA-N 1 2 276.380 2.277 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000271124601 394747276 /nfs/dbraw/zinc/74/72/76/394747276.db2.gz JXVJPMOKIKJTKX-GFCCVEGCSA-N 1 2 269.352 2.074 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000271124601 394747281 /nfs/dbraw/zinc/74/72/81/394747281.db2.gz JXVJPMOKIKJTKX-GFCCVEGCSA-N 1 2 269.352 2.074 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@H+](C)C[C@H](C)C#N ZINC000271148453 394748381 /nfs/dbraw/zinc/74/83/81/394748381.db2.gz ZXWMMIMBLWURBZ-LLVKDONJSA-N 1 2 278.352 2.304 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000271148453 394748385 /nfs/dbraw/zinc/74/83/85/394748385.db2.gz ZXWMMIMBLWURBZ-LLVKDONJSA-N 1 2 278.352 2.304 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597706 394763805 /nfs/dbraw/zinc/76/38/05/394763805.db2.gz IWMQRKDQYDBZMM-STQMWFEESA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597706 394763806 /nfs/dbraw/zinc/76/38/06/394763806.db2.gz IWMQRKDQYDBZMM-STQMWFEESA-N 1 2 265.401 2.115 20 30 CEEDLO CC[N@H+](CCC#N)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359616299 394764897 /nfs/dbraw/zinc/76/48/97/394764897.db2.gz YVUYUXGBVBGBTH-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359616299 394764899 /nfs/dbraw/zinc/76/48/99/394764899.db2.gz YVUYUXGBVBGBTH-ZDUSSCGKSA-N 1 2 265.401 2.259 20 30 CEEDLO N#CCCCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000359894549 394779913 /nfs/dbraw/zinc/77/99/13/394779913.db2.gz DSMKPAHPVNOSBS-UHFFFAOYSA-N 1 2 296.374 2.284 20 30 CEEDLO CC(C)(C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360011270 394783324 /nfs/dbraw/zinc/78/33/24/394783324.db2.gz UDHIYLKBAVAYMV-UHFFFAOYSA-N 1 2 268.320 2.038 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(=O)OC ZINC000361109099 394816258 /nfs/dbraw/zinc/81/62/58/394816258.db2.gz DVZBOZHPIBVXNJ-MCIONIFRSA-N 1 2 269.385 2.147 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000285126463 394953563 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415073193 /nfs/dbraw/zinc/07/31/93/415073193.db2.gz YNPGVFLRCYAVMB-NSHDSACASA-N 1 2 270.327 2.331 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)nn1 ZINC000653679334 415073196 /nfs/dbraw/zinc/07/31/96/415073196.db2.gz YNPGVFLRCYAVMB-NSHDSACASA-N 1 2 270.327 2.331 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)nn1 ZINC000657814502 415092618 /nfs/dbraw/zinc/09/26/18/415092618.db2.gz CMBUUBMUQAPLNL-BBRMVZONSA-N 1 2 286.379 2.066 20 30 CEEDLO C=C[C@@H](C)Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663710672 415024291 /nfs/dbraw/zinc/02/42/91/415024291.db2.gz VJOHMSIGMTVDFK-MRVPVSSYSA-N 1 2 260.345 2.150 20 30 CEEDLO C=CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)[C@H](C)COC ZINC000661240272 415150961 /nfs/dbraw/zinc/15/09/61/415150961.db2.gz MPLOOUKJIYMBPR-CYBMUJFWSA-N 1 2 297.420 2.113 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)[C@H](C)COC ZINC000661240272 415150968 /nfs/dbraw/zinc/15/09/68/415150968.db2.gz MPLOOUKJIYMBPR-CYBMUJFWSA-N 1 2 297.420 2.113 20 30 CEEDLO CC#CC[C@@H](CO)Nc1cc(Nc2ccccc2)nc[nH+]1 ZINC000664058445 415146270 /nfs/dbraw/zinc/14/62/70/415146270.db2.gz UWTHNBUQRJACFJ-AWEZNQCLSA-N 1 2 282.347 2.406 20 30 CEEDLO CC#CC[C@@H](CO)Nc1cc(Nc2ccccc2)[nH+]cn1 ZINC000664058445 415146280 /nfs/dbraw/zinc/14/62/80/415146280.db2.gz UWTHNBUQRJACFJ-AWEZNQCLSA-N 1 2 282.347 2.406 20 30 CEEDLO C=CCCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000661348768 415217031 /nfs/dbraw/zinc/21/70/31/415217031.db2.gz DZTXXZUWXCYDIK-UHFFFAOYSA-N 1 2 272.352 2.061 20 30 CEEDLO C=CC[C@@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000664253946 415245264 /nfs/dbraw/zinc/24/52/64/415245264.db2.gz RUYFQGOXMXNCEN-CYBMUJFWSA-N 1 2 269.352 2.455 20 30 CEEDLO C=CCOCCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000664388625 415316121 /nfs/dbraw/zinc/31/61/21/415316121.db2.gz QPNRSNWCDCITQN-UHFFFAOYSA-N 1 2 279.388 2.066 20 30 CEEDLO C=CCOCCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000664388625 415316123 /nfs/dbraw/zinc/31/61/23/415316123.db2.gz QPNRSNWCDCITQN-UHFFFAOYSA-N 1 2 279.388 2.066 20 30 CEEDLO C=CCCN(C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661548319 415320753 /nfs/dbraw/zinc/32/07/53/415320753.db2.gz YTJSXPXKVOHRGB-UHFFFAOYSA-N 1 2 288.395 2.399 20 30 CEEDLO COc1cc(C#N)ccc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661544386 415321449 /nfs/dbraw/zinc/32/14/49/415321449.db2.gz CCJGQXHIRCTTEX-VXGBXAGGSA-N 1 2 272.348 2.224 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833458 415491364 /nfs/dbraw/zinc/49/13/64/415491364.db2.gz SHRJZVZRVDYXIP-OCCSQVGLSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833458 415491369 /nfs/dbraw/zinc/49/13/69/415491369.db2.gz SHRJZVZRVDYXIP-OCCSQVGLSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCC[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655794334 415471710 /nfs/dbraw/zinc/47/17/10/415471710.db2.gz MFZMLNHGJUEWNA-GHMZBOCLSA-N 1 2 250.346 2.101 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662091874 415622931 /nfs/dbraw/zinc/62/29/31/415622931.db2.gz NBNAYOYHYFDZCV-RWMBFGLXSA-N 1 2 274.368 2.374 20 30 CEEDLO CC#CC[NH2+]Cc1cn(-c2ccc(C)c(Cl)c2)nn1 ZINC000656432506 415696426 /nfs/dbraw/zinc/69/64/26/415696426.db2.gz NPUREMBAIASTAG-UHFFFAOYSA-N 1 2 274.755 2.342 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCN(CC)C1=O ZINC000659852246 415735399 /nfs/dbraw/zinc/73/53/99/415735399.db2.gz MSBDGINWXFQPHQ-OAHLLOKOSA-N 1 2 276.355 2.435 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCN(CC)C1=O ZINC000659852246 415735404 /nfs/dbraw/zinc/73/54/04/415735404.db2.gz MSBDGINWXFQPHQ-OAHLLOKOSA-N 1 2 276.355 2.435 20 30 CEEDLO N#CCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621127 227117633 /nfs/dbraw/zinc/11/76/33/227117633.db2.gz MCASKCHOKCPILM-UHFFFAOYSA-N 1 2 261.281 2.093 20 30 CEEDLO N#CCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621127 227117639 /nfs/dbraw/zinc/11/76/39/227117639.db2.gz MCASKCHOKCPILM-UHFFFAOYSA-N 1 2 261.281 2.093 20 30 CEEDLO C[C@@H](C#N)CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000171843542 335082230 /nfs/dbraw/zinc/08/22/30/335082230.db2.gz PPDPYTVMBGCGFU-LVDDQXARSA-N 1 2 280.331 2.161 20 30 CEEDLO Cc1noc(C(C)(C)NC(=O)[C@H](C)[NH+]2CCSCC2)n1 ZINC000329060947 227277885 /nfs/dbraw/zinc/27/78/85/227277885.db2.gz NLZRHDFRQLKMKX-VIFPVBQESA-N 1 2 298.412 2.007 20 30 CEEDLO COc1ccc2nc(C[NH+]3CCC(C)(C#N)CC3)[nH]c2n1 ZINC000355020967 227317706 /nfs/dbraw/zinc/31/77/06/227317706.db2.gz YEPFWWBNRGAXAD-UHFFFAOYSA-N 1 2 285.351 2.092 20 30 CEEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330002271 228013243 /nfs/dbraw/zinc/01/32/43/228013243.db2.gz YQXSYQZPKQYJFP-QWHCGFSZSA-N 1 2 296.411 2.059 20 30 CEEDLO N#C[C@]1(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC12CCCC2 ZINC000333563954 228204924 /nfs/dbraw/zinc/20/49/24/228204924.db2.gz OMOPWIVVVGRYDE-DYVFJYSZSA-N 1 2 298.390 2.351 20 30 CEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000336239544 228219312 /nfs/dbraw/zinc/21/93/12/228219312.db2.gz YGASPVATFRCZCW-OTYXRUKQSA-N 1 2 288.738 2.154 20 30 CEEDLO C=CCCC[NH2+][C@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000297681462 260132218 /nfs/dbraw/zinc/13/22/18/260132218.db2.gz PHAATRBXDMIJNZ-HNNXBMFYSA-N 1 2 275.348 2.391 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)OCC ZINC000299040744 260170437 /nfs/dbraw/zinc/17/04/37/260170437.db2.gz RTEYTNBFRVRHDY-LBPRGKRZSA-N 1 2 251.326 2.262 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)OCC ZINC000299040744 260170439 /nfs/dbraw/zinc/17/04/39/260170439.db2.gz RTEYTNBFRVRHDY-LBPRGKRZSA-N 1 2 251.326 2.262 20 30 CEEDLO CC(C)c1nnc(C[NH+]2CCC(C)(C#N)CC2)n1C ZINC000408158241 260316708 /nfs/dbraw/zinc/31/67/08/260316708.db2.gz KFRWMNJEPCXLRL-UHFFFAOYSA-N 1 2 261.373 2.064 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000408160629 260330569 /nfs/dbraw/zinc/33/05/69/260330569.db2.gz WMGKTJDHYHIWSO-UHFFFAOYSA-N 1 2 281.363 2.168 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C)C(=O)OC ZINC000449297749 260374095 /nfs/dbraw/zinc/37/40/95/260374095.db2.gz DTVOQNYAGRVSLZ-SYQHCUMBSA-N 1 2 269.385 2.145 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCc2ccccc2NC1=O ZINC000248953035 261223894 /nfs/dbraw/zinc/22/38/94/261223894.db2.gz KXDORQFXUDNIHZ-DOMZBBRYSA-N 1 2 271.364 2.421 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCc2ccccc2NC1=O ZINC000248953035 261223895 /nfs/dbraw/zinc/22/38/95/261223895.db2.gz KXDORQFXUDNIHZ-DOMZBBRYSA-N 1 2 271.364 2.421 20 30 CEEDLO C#CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000490840624 261224119 /nfs/dbraw/zinc/22/41/19/261224119.db2.gz PDILTZGCZVPZAT-CQSZACIVSA-N 1 2 285.391 2.240 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491210312 261372171 /nfs/dbraw/zinc/37/21/71/261372171.db2.gz SDKGUSVCSGMYFJ-UHFFFAOYSA-N 1 2 280.331 2.452 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491210312 261372173 /nfs/dbraw/zinc/37/21/73/261372173.db2.gz SDKGUSVCSGMYFJ-UHFFFAOYSA-N 1 2 280.331 2.452 20 30 CEEDLO C[C@]([NH2+]CC#Cc1ccc(F)cc1)(C(N)=O)c1ccccc1 ZINC000178523137 261396621 /nfs/dbraw/zinc/39/66/21/261396621.db2.gz WAXODBCEPLUYID-GOSISDBHSA-N 1 2 296.345 2.168 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000491286778 261399056 /nfs/dbraw/zinc/39/90/56/261399056.db2.gz JJCXUJLLJKUPMS-NSHDSACASA-N 1 2 287.388 2.213 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000491286778 261399058 /nfs/dbraw/zinc/39/90/58/261399058.db2.gz JJCXUJLLJKUPMS-NSHDSACASA-N 1 2 287.388 2.213 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000364044199 262118132 /nfs/dbraw/zinc/11/81/32/262118132.db2.gz TUEKWYYXBMWIRK-JKSUJKDBSA-N 1 2 293.370 2.326 20 30 CEEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccn(C)n1 ZINC000459788395 269878861 /nfs/dbraw/zinc/87/88/61/269878861.db2.gz LMGQOWKPVDVXPM-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO CCN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000273520059 263017541 /nfs/dbraw/zinc/01/75/41/263017541.db2.gz PTVUZZGJVMPXQK-UHFFFAOYSA-N 1 2 285.391 2.152 20 30 CEEDLO CCN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000273520059 263017542 /nfs/dbraw/zinc/01/75/42/263017542.db2.gz PTVUZZGJVMPXQK-UHFFFAOYSA-N 1 2 285.391 2.152 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000276565109 263037262 /nfs/dbraw/zinc/03/72/62/263037262.db2.gz KNPCUKLUEPJSJX-UHFFFAOYSA-N 1 2 268.320 2.057 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)CC#N ZINC000279799300 263057475 /nfs/dbraw/zinc/05/74/75/263057475.db2.gz NFOHLHKBRHESLZ-QMMMGPOBSA-N 1 2 292.289 2.041 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CSCC#N ZINC000281782052 263071893 /nfs/dbraw/zinc/07/18/93/263071893.db2.gz LMBYUSYAOQSORU-GFCCVEGCSA-N 1 2 292.408 2.213 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000285338540 263092206 /nfs/dbraw/zinc/09/22/06/263092206.db2.gz OOAFYYNJJMBNTF-SMDDNHRTSA-N 1 2 260.341 2.056 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCOC[C@H]2C)c1O ZINC000285382680 263092465 /nfs/dbraw/zinc/09/24/65/263092465.db2.gz OUAQNHKMBOTMCP-QPBATNEMSA-N 1 2 263.337 2.492 20 30 CEEDLO COc1ccc(C(=O)CC[N@H+](C)C[C@H](C)C#N)cc1 ZINC000285892902 263096391 /nfs/dbraw/zinc/09/63/91/263096391.db2.gz GHWDYJKNDCAUKF-GFCCVEGCSA-N 1 2 260.337 2.359 20 30 CEEDLO COc1ccc(C(=O)CC[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000285892902 263096392 /nfs/dbraw/zinc/09/63/92/263096392.db2.gz GHWDYJKNDCAUKF-GFCCVEGCSA-N 1 2 260.337 2.359 20 30 CEEDLO CC[C@](C)(C#N)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000288861064 263106392 /nfs/dbraw/zinc/10/63/92/263106392.db2.gz BVFSLDIHJCUKFH-OAHLLOKOSA-N 1 2 281.319 2.499 20 30 CEEDLO Cc1[nH+]c2cc(OC(=O)CSCC#N)ccc2n1C ZINC000296309534 263189479 /nfs/dbraw/zinc/18/94/79/263189479.db2.gz WMYJRRUVLKJUJX-UHFFFAOYSA-N 1 2 275.333 2.044 20 30 CEEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000297733805 263208637 /nfs/dbraw/zinc/20/86/37/263208637.db2.gz CCXRKFJAJRYMBD-LBPRGKRZSA-N 1 2 277.393 2.198 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000298456506 263219929 /nfs/dbraw/zinc/21/99/29/263219929.db2.gz HUULVMKGXYZDIA-SNVBAGLBSA-N 1 2 298.312 2.313 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000341315732 263334070 /nfs/dbraw/zinc/33/40/70/263334070.db2.gz BRFCQHLGWXXWON-CHWSQXEVSA-N 1 2 261.369 2.338 20 30 CEEDLO CC(C)[C@@H](C)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330823813 264047929 /nfs/dbraw/zinc/04/79/29/264047929.db2.gz QKLZUSWYNVVBPO-LBPRGKRZSA-N 1 2 278.400 2.443 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1 ZINC000330821827 264047932 /nfs/dbraw/zinc/04/79/32/264047932.db2.gz HJRNYHKGEQEGCO-OBJOEFQTSA-N 1 2 257.337 2.295 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1C#N ZINC000330835320 264050904 /nfs/dbraw/zinc/05/09/04/264050904.db2.gz LKNVOZGMAVDVDR-FPMFFAJLSA-N 1 2 282.347 2.167 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)c1cc(C(C)(C)C)on1 ZINC000330888867 264064361 /nfs/dbraw/zinc/06/43/61/264064361.db2.gz GNNMYDBDGSMDRN-UHFFFAOYSA-N 1 2 262.313 2.210 20 30 CEEDLO CCCC(C)(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330841122 264065129 /nfs/dbraw/zinc/06/51/29/264065129.db2.gz YAFXCPYUPVGWQW-UHFFFAOYSA-N 1 2 285.432 2.180 20 30 CEEDLO CCCC(C)(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330841122 264065131 /nfs/dbraw/zinc/06/51/31/264065131.db2.gz YAFXCPYUPVGWQW-UHFFFAOYSA-N 1 2 285.432 2.180 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000330952710 264086771 /nfs/dbraw/zinc/08/67/71/264086771.db2.gz QUXAVNQQIMTEIM-SWLSCSKDSA-N 1 2 277.368 2.154 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000330952710 264086773 /nfs/dbraw/zinc/08/67/73/264086773.db2.gz QUXAVNQQIMTEIM-SWLSCSKDSA-N 1 2 277.368 2.154 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](CO)C(C)C)cc2n1C ZINC000331068041 264112186 /nfs/dbraw/zinc/11/21/86/264112186.db2.gz QQGPCKOKIDECIM-CYBMUJFWSA-N 1 2 275.352 2.203 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCCSC1 ZINC000331169696 264145914 /nfs/dbraw/zinc/14/59/14/264145914.db2.gz NSUCIXBARUHAJT-GFCCVEGCSA-N 1 2 294.424 2.047 20 30 CEEDLO COC(=O)c1sccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331320607 264188891 /nfs/dbraw/zinc/18/88/91/264188891.db2.gz DZOZSQKYKHQMOQ-GXSJLCMTSA-N 1 2 264.350 2.317 20 30 CEEDLO COc1ccsc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331324789 264190550 /nfs/dbraw/zinc/19/05/50/264190550.db2.gz FXFXZLTXAQSODB-UHFFFAOYSA-N 1 2 298.408 2.172 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)c1nc(C)c(C)nc1C ZINC000331341331 264195101 /nfs/dbraw/zinc/19/51/01/264195101.db2.gz SOMHQGVYIAKGHV-UHFFFAOYSA-N 1 2 273.340 2.123 20 30 CEEDLO C=C(CC)CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000456815206 264346257 /nfs/dbraw/zinc/34/62/57/264346257.db2.gz XBUZKLXGROIHAX-UHFFFAOYSA-N 1 2 257.337 2.427 20 30 CEEDLO C=C[C@](C)(O)CC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294382001 265015513 /nfs/dbraw/zinc/01/55/13/265015513.db2.gz YZEUOFBVLOJKJN-RDJZCZTQSA-N 1 2 299.374 2.285 20 30 CEEDLO C=CC1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000353504968 266039288 /nfs/dbraw/zinc/03/92/88/266039288.db2.gz VZUFREGAJWLADO-UHFFFAOYSA-N 1 2 286.366 2.388 20 30 CEEDLO C=C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000362614515 267022922 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SPESWROWBMDCRF-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457319106 268103510 /nfs/dbraw/zinc/10/35/10/268103510.db2.gz VOWMEBSWQACXCE-UHFFFAOYSA-N 1 2 290.348 2.230 20 30 CEEDLO N#Cc1ccc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)o1 ZINC000495171699 268231871 /nfs/dbraw/zinc/23/18/71/268231871.db2.gz IXFFGSKUXFXVHQ-UHFFFAOYSA-N 1 2 281.315 2.412 20 30 CEEDLO COCCCOC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425223643 271140131 /nfs/dbraw/zinc/14/01/31/271140131.db2.gz CGZBRSVWLQJELG-UHFFFAOYSA-N 1 2 289.379 2.284 20 30 CEEDLO CC(=O)NCC[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425267058 271150025 /nfs/dbraw/zinc/15/00/25/271150025.db2.gz KOUBJSSTIJKDHM-AWEZNQCLSA-N 1 2 286.379 2.004 20 30 CEEDLO CC[N@@H+](CC(=O)N1CCc2ccccc2C1)C[C@H](C)C#N ZINC000060569242 276082222 /nfs/dbraw/zinc/08/22/22/276082222.db2.gz XGULRNDNGMIFON-CQSZACIVSA-N 1 2 285.391 2.053 20 30 CEEDLO CC[N@H+](CC(=O)N1CCc2ccccc2C1)C[C@H](C)C#N ZINC000060569242 276082223 /nfs/dbraw/zinc/08/22/23/276082223.db2.gz XGULRNDNGMIFON-CQSZACIVSA-N 1 2 285.391 2.053 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295966625 277832765 /nfs/dbraw/zinc/83/27/65/277832765.db2.gz SCGKXXJZZRCNJF-OLZOCXBDSA-N 1 2 291.395 2.311 20 30 CEEDLO Cc1ncc2c(n1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000335761030 279158373 /nfs/dbraw/zinc/15/83/73/279158373.db2.gz MKAVODOSXXBSLE-UHFFFAOYSA-N 1 2 263.344 2.195 20 30 CEEDLO Cc1ncc2c(n1)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000335761030 279158375 /nfs/dbraw/zinc/15/83/75/279158375.db2.gz MKAVODOSXXBSLE-UHFFFAOYSA-N 1 2 263.344 2.195 20 30 CEEDLO N#Cc1ccnc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000133212732 279993357 /nfs/dbraw/zinc/99/33/57/279993357.db2.gz XYMSYARKSBXBRK-UHFFFAOYSA-N 1 2 298.306 2.171 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)c1cccc(C#N)c1 ZINC000158742654 289239876 /nfs/dbraw/zinc/23/98/76/289239876.db2.gz ZTMAXGVZNDZETN-BQYQJAHWSA-N 1 2 280.331 2.451 20 30 CEEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCCO1 ZINC000332210232 297068878 /nfs/dbraw/zinc/06/88/78/297068878.db2.gz GFZXEFHCIIXLRM-BXUZGUMPSA-N 1 2 273.336 2.245 20 30 CEEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCCO1 ZINC000332210232 297068879 /nfs/dbraw/zinc/06/88/79/297068879.db2.gz GFZXEFHCIIXLRM-BXUZGUMPSA-N 1 2 273.336 2.245 20 30 CEEDLO [O-]C(N[C@@H]1CC12CCCCC2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330162828 295385784 /nfs/dbraw/zinc/38/57/84/295385784.db2.gz ANARLLSYUKAQLW-CHWSQXEVSA-N 1 2 288.395 2.424 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC12CCCCC2 ZINC000330162828 295385786 /nfs/dbraw/zinc/38/57/86/295385786.db2.gz ANARLLSYUKAQLW-CHWSQXEVSA-N 1 2 288.395 2.424 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CCSC[C@H]2C)c1C#N ZINC000535963998 298192477 /nfs/dbraw/zinc/19/24/77/298192477.db2.gz OFCXDWOKEXKHTG-LLVKDONJSA-N 1 2 290.388 2.282 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CCSC[C@H]2C)c1C#N ZINC000535963998 298192480 /nfs/dbraw/zinc/19/24/80/298192480.db2.gz OFCXDWOKEXKHTG-LLVKDONJSA-N 1 2 290.388 2.282 20 30 CEEDLO N#Cc1ccc2nc(NCCNc3cccc[nH+]3)ccc2c1 ZINC000537875689 298221105 /nfs/dbraw/zinc/22/11/05/298221105.db2.gz TZNGTURIVGDJEJ-UHFFFAOYSA-N 1 2 289.342 2.447 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(Cl)cc1 ZINC000580198126 327729663 /nfs/dbraw/zinc/72/96/63/327729663.db2.gz SGHJUGDMELLYFF-OAHLLOKOSA-N 1 2 293.798 2.233 20 30 CEEDLO C[C@H](C#N)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000580306729 327776903 /nfs/dbraw/zinc/77/69/03/327776903.db2.gz ZIAJDLLEZNKBOT-TZMCWYRMSA-N 1 2 282.347 2.208 20 30 CEEDLO CC(C)([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nccs1 ZINC000572364803 314131773 /nfs/dbraw/zinc/13/17/73/314131773.db2.gz RDNHNPAXKFFNKF-UHFFFAOYSA-N 1 2 298.375 2.082 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000563327460 328054456 /nfs/dbraw/zinc/05/44/56/328054456.db2.gz FHKDBGLZZBUUFS-IAQYHMDHSA-N 1 2 274.368 2.444 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000563327460 328054458 /nfs/dbraw/zinc/05/44/58/328054458.db2.gz FHKDBGLZZBUUFS-IAQYHMDHSA-N 1 2 274.368 2.444 20 30 CEEDLO CC(=O)Nc1ccc(/C(C)=N/OCc2c[nH+]cn2C)cc1 ZINC000267813635 328180475 /nfs/dbraw/zinc/18/04/75/328180475.db2.gz UWCDEPHOYSFVHH-WOJGMQOQSA-N 1 2 286.335 2.319 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000268340277 328184224 /nfs/dbraw/zinc/18/42/24/328184224.db2.gz ZTJLSWRTKXLDLC-CABZTGNLSA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000268340277 328184226 /nfs/dbraw/zinc/18/42/26/328184226.db2.gz ZTJLSWRTKXLDLC-CABZTGNLSA-N 1 2 254.280 2.232 20 30 CEEDLO NC(=[NH+]OCCCOCCc1ccccc1)[C@@H]1CCCO1 ZINC000284449665 328245848 /nfs/dbraw/zinc/24/58/48/328245848.db2.gz PWAACJUOIYXBEW-HNNXBMFYSA-N 1 2 292.379 2.104 20 30 CEEDLO Cn1cc(C(C)(C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cn1 ZINC000581117306 322370357 /nfs/dbraw/zinc/37/03/57/322370357.db2.gz ZCPGCTCHOBDQOC-UHFFFAOYSA-N 1 2 299.334 2.225 20 30 CEEDLO Cc1[nH]c(C(=O)NC2(CCO)CCCCC2)c[nH+]1 ZINC000331014637 328473545 /nfs/dbraw/zinc/47/35/45/328473545.db2.gz YURAXQPGYCGLKE-UHFFFAOYSA-N 1 2 251.330 2.108 20 30 CEEDLO C=CCNC(=O)c1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000090172470 327031837 /nfs/dbraw/zinc/03/18/37/327031837.db2.gz PNRXVVSZXLFDHI-UHFFFAOYSA-N 1 2 284.363 2.431 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccccc1OC ZINC000573104885 327095124 /nfs/dbraw/zinc/09/51/24/327095124.db2.gz GZVLCWXHADPSSW-STQMWFEESA-N 1 2 289.379 2.154 20 30 CEEDLO NC(=NO)[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000313421554 327128729 /nfs/dbraw/zinc/12/87/29/327128729.db2.gz CGENCNCKKBHDQT-HNNXBMFYSA-N 1 2 284.363 2.336 20 30 CEEDLO NC(=NO)[C@@H]1CCCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000313421554 327128731 /nfs/dbraw/zinc/12/87/31/327128731.db2.gz CGENCNCKKBHDQT-HNNXBMFYSA-N 1 2 284.363 2.336 20 30 CEEDLO C=C(C)CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000089508405 327170846 /nfs/dbraw/zinc/17/08/46/327170846.db2.gz DWKGAMVZVTXQIR-UHFFFAOYSA-N 1 2 285.351 2.097 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1cc(CO)ccc1F)C1CC1 ZINC000528417874 327208959 /nfs/dbraw/zinc/20/89/59/327208959.db2.gz ADDCUCQDDYNIFO-NSHDSACASA-N 1 2 262.328 2.442 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(CO)ccc1F)C1CC1 ZINC000528417874 327208960 /nfs/dbraw/zinc/20/89/60/327208960.db2.gz ADDCUCQDDYNIFO-NSHDSACASA-N 1 2 262.328 2.442 20 30 CEEDLO Cc1cc(NC(=O)N(C)CC(C)(C)C#N)c(C)c[nH+]1 ZINC000560412034 327305435 /nfs/dbraw/zinc/30/54/35/327305435.db2.gz PXZMHXIFONHHIQ-UHFFFAOYSA-N 1 2 260.341 2.134 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N1CCc2ccccc21 ZINC000566428308 327361001 /nfs/dbraw/zinc/36/10/01/327361001.db2.gz DQBKUNNFMFYFDQ-OCCSQVGLSA-N 1 2 271.364 2.246 20 30 CEEDLO CCCC[C@H]([NH2+][C@H](CC)CC#N)C(=O)Nc1cc(C)on1 ZINC000570407985 327589403 /nfs/dbraw/zinc/58/94/03/327589403.db2.gz RUWCQIHVWKXHIR-OLZOCXBDSA-N 1 2 292.383 2.184 20 30 CEEDLO COC(=O)c1cc(C(C)(C)[NH2+]CC#Cc2ccccc2)no1 ZINC000352037498 328742438 /nfs/dbraw/zinc/74/24/38/328742438.db2.gz VYXUPMDENRPOSL-UHFFFAOYSA-N 1 2 298.342 2.338 20 30 CEEDLO N#CC[C@H](CC(=O)Nc1cc[nH+]cc1O)c1ccccc1 ZINC000356528605 328862832 /nfs/dbraw/zinc/86/28/32/328862832.db2.gz FSFZADIXWWAKDD-CYBMUJFWSA-N 1 2 281.315 2.235 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c1 ZINC000377747328 329027705 /nfs/dbraw/zinc/02/77/05/329027705.db2.gz RPVUYTSTWFULCX-CYBMUJFWSA-N 1 2 265.316 2.450 20 30 CEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000377954918 329035675 /nfs/dbraw/zinc/03/56/75/329035675.db2.gz WNHVEXGUYVSEFX-QGZVFWFLSA-N 1 2 293.370 2.271 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(C)C ZINC000173553882 329149113 /nfs/dbraw/zinc/14/91/13/329149113.db2.gz SRXHMVVOZYZKOZ-UHFFFAOYSA-N 1 2 253.390 2.163 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(C)C ZINC000173553882 329149115 /nfs/dbraw/zinc/14/91/15/329149115.db2.gz SRXHMVVOZYZKOZ-UHFFFAOYSA-N 1 2 253.390 2.163 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000181315375 329231202 /nfs/dbraw/zinc/23/12/02/329231202.db2.gz BECRVXKFHVIGGC-UHFFFAOYSA-N 1 2 256.353 2.490 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000181315375 329231204 /nfs/dbraw/zinc/23/12/04/329231204.db2.gz BECRVXKFHVIGGC-UHFFFAOYSA-N 1 2 256.353 2.490 20 30 CEEDLO N#CCSCCC[N@@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186065204 329336806 /nfs/dbraw/zinc/33/68/06/329336806.db2.gz SFIBTBPSSZQFDD-UHFFFAOYSA-N 1 2 295.433 2.044 20 30 CEEDLO N#CCSCCC[N@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186065204 329336807 /nfs/dbraw/zinc/33/68/07/329336807.db2.gz SFIBTBPSSZQFDD-UHFFFAOYSA-N 1 2 295.433 2.044 20 30 CEEDLO C=C(C)C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186741342 329348239 /nfs/dbraw/zinc/34/82/39/329348239.db2.gz KMVKOEGBNHKYHX-UHFFFAOYSA-N 1 2 292.330 2.255 20 30 CEEDLO C=C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000264472793 330061570 /nfs/dbraw/zinc/06/15/70/330061570.db2.gz NXHBXFUWMSXPMN-UHFFFAOYSA-N 1 2 256.349 2.228 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000527692669 330279485 /nfs/dbraw/zinc/27/94/85/330279485.db2.gz UIYOLDBVODYBLV-UHFFFAOYSA-N 1 2 270.336 2.280 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2c(F)cccc2CC)nn1 ZINC000424169898 330312076 /nfs/dbraw/zinc/31/20/76/330312076.db2.gz IYLDPMUGLFAVDL-UHFFFAOYSA-N 1 2 274.343 2.455 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(F)cn2)nn1 ZINC000424293152 330335356 /nfs/dbraw/zinc/33/53/56/330335356.db2.gz IELZTHYUWAFBSF-CYBMUJFWSA-N 1 2 275.331 2.239 20 30 CEEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCC(C#N)CC1 ZINC000515499460 330478691 /nfs/dbraw/zinc/47/86/91/330478691.db2.gz NWQVFRWTQOMPRC-UHFFFAOYSA-N 1 2 272.352 2.411 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@]2(C#N)C[C@H]2C)c1C ZINC000448825199 330885048 /nfs/dbraw/zinc/88/50/48/330885048.db2.gz SZSCOWIAJKYBGJ-BZNIZROVSA-N 1 2 287.363 2.215 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451121341 331016430 /nfs/dbraw/zinc/01/64/30/331016430.db2.gz OALYVTRIUABYLR-SNPRPXQTSA-N 1 2 283.391 2.253 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000451121341 331016431 /nfs/dbraw/zinc/01/64/31/331016431.db2.gz OALYVTRIUABYLR-SNPRPXQTSA-N 1 2 283.391 2.253 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CCCC1 ZINC000451239755 331021594 /nfs/dbraw/zinc/02/15/94/331021594.db2.gz GGZGARUTAUPTSD-OAHLLOKOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@H](CC)C2)CCCC1 ZINC000451239755 331021595 /nfs/dbraw/zinc/02/15/95/331021595.db2.gz GGZGARUTAUPTSD-OAHLLOKOSA-N 1 2 294.439 2.350 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc([C@H](C)OCC(C)C)no1 ZINC000451604544 331036160 /nfs/dbraw/zinc/03/61/60/331036160.db2.gz HJGVGIGJZFKCCS-XQQFMLRXSA-N 1 2 295.383 2.236 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451829713 331044016 /nfs/dbraw/zinc/04/40/16/331044016.db2.gz CGJNPHGPDVJEKI-GXTWGEPZSA-N 1 2 274.364 2.497 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451829713 331044017 /nfs/dbraw/zinc/04/40/17/331044017.db2.gz CGJNPHGPDVJEKI-GXTWGEPZSA-N 1 2 274.364 2.497 20 30 CEEDLO C=CC(C)(C)CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455387987 331168337 /nfs/dbraw/zinc/16/83/37/331168337.db2.gz QUWVXEXOSSUEAF-WDEREUQCSA-N 1 2 262.357 2.400 20 30 CEEDLO C=C(C)CN(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455465350 331170077 /nfs/dbraw/zinc/17/00/77/331170077.db2.gz LACKFWABKGXYFX-NSHDSACASA-N 1 2 250.346 2.182 20 30 CEEDLO C=CCC1(CNC(=O)C(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000456502355 331194549 /nfs/dbraw/zinc/19/45/49/331194549.db2.gz GVIRYQMKRJPZGC-UHFFFAOYSA-N 1 2 294.439 2.350 20 30 CEEDLO CC(C)(C(=O)Nc1cccc(CC#N)c1)c1c[nH+]c[nH]1 ZINC000456757647 331200481 /nfs/dbraw/zinc/20/04/81/331200481.db2.gz UJYAFZWWWWTSEQ-UHFFFAOYSA-N 1 2 268.320 2.392 20 30 CEEDLO CC(C)(C(=O)Nc1cccc(CC#N)c1)c1c[nH]c[nH+]1 ZINC000456757647 331200482 /nfs/dbraw/zinc/20/04/82/331200482.db2.gz UJYAFZWWWWTSEQ-UHFFFAOYSA-N 1 2 268.320 2.392 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)NCC(C)(C)CC#N)cn2c1 ZINC000457916420 331237545 /nfs/dbraw/zinc/23/75/45/331237545.db2.gz FZOVANHLSFASIK-UHFFFAOYSA-N 1 2 299.378 2.382 20 30 CEEDLO Cc1cc(C)c(CNC(=O)NCC(C)(C)C#N)c[nH+]1 ZINC000458643197 331255270 /nfs/dbraw/zinc/25/52/70/331255270.db2.gz ILLUZVWAWAYDCM-UHFFFAOYSA-N 1 2 260.341 2.047 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000459457926 331282422 /nfs/dbraw/zinc/28/24/22/331282422.db2.gz DWKNWTHUNLISNW-CABZTGNLSA-N 1 2 279.290 2.185 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000459459618 331282581 /nfs/dbraw/zinc/28/25/81/331282581.db2.gz GRURKAZUGIXXJH-DZGCQCFKSA-N 1 2 285.347 2.110 20 30 CEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000488823389 332027604 /nfs/dbraw/zinc/02/76/04/332027604.db2.gz XWRKTVYPCQLAPE-CYBMUJFWSA-N 1 2 284.363 2.037 20 30 CEEDLO C=CCn1cccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000489054492 332039658 /nfs/dbraw/zinc/03/96/58/332039658.db2.gz YQLAECVKTVBZQP-UHFFFAOYSA-N 1 2 280.331 2.252 20 30 CEEDLO C#CCN(CC)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490712951 332107153 /nfs/dbraw/zinc/10/71/53/332107153.db2.gz HIEHIBSHIULCEW-GFCCVEGCSA-N 1 2 273.380 2.120 20 30 CEEDLO C#CCN(CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490712951 332107155 /nfs/dbraw/zinc/10/71/55/332107155.db2.gz HIEHIBSHIULCEW-GFCCVEGCSA-N 1 2 273.380 2.120 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1scnc1Cl ZINC000490899898 332127316 /nfs/dbraw/zinc/12/73/16/332127316.db2.gz QXIWDWGYRPRQNJ-SECBINFHSA-N 1 2 284.768 2.051 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1scnc1Cl ZINC000490899898 332127317 /nfs/dbraw/zinc/12/73/17/332127317.db2.gz QXIWDWGYRPRQNJ-SECBINFHSA-N 1 2 284.768 2.051 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc(OC)nc1C ZINC000491072225 332146822 /nfs/dbraw/zinc/14/68/22/332146822.db2.gz QZESHGYKNXIQFP-UHFFFAOYSA-N 1 2 281.359 2.429 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)nc1C ZINC000491072225 332146823 /nfs/dbraw/zinc/14/68/23/332146823.db2.gz QZESHGYKNXIQFP-UHFFFAOYSA-N 1 2 281.359 2.429 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491395243 332203902 /nfs/dbraw/zinc/20/39/02/332203902.db2.gz RHYITORZFHODFJ-HNNXBMFYSA-N 1 2 281.359 2.496 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000491484011 332219415 /nfs/dbraw/zinc/21/94/15/332219415.db2.gz GNPCELPNPQYXAP-MAUKXSAKSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000491484011 332219417 /nfs/dbraw/zinc/21/94/17/332219417.db2.gz GNPCELPNPQYXAP-MAUKXSAKSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@H]([NH2+]Cc1c(C)cnn1C)c1ccc(F)cc1 ZINC000491546733 332235537 /nfs/dbraw/zinc/23/55/37/332235537.db2.gz XCIWEVHVQOILGE-AWEZNQCLSA-N 1 2 257.312 2.332 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)C1CC1 ZINC000491616051 332243149 /nfs/dbraw/zinc/24/31/49/332243149.db2.gz IABDERQDZWFWDD-HNNXBMFYSA-N 1 2 284.403 2.140 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)C1CC1 ZINC000491616051 332243150 /nfs/dbraw/zinc/24/31/50/332243150.db2.gz IABDERQDZWFWDD-HNNXBMFYSA-N 1 2 284.403 2.140 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000491619108 332245290 /nfs/dbraw/zinc/24/52/90/332245290.db2.gz DHTVSZSOAXYOPB-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000491619108 332245292 /nfs/dbraw/zinc/24/52/92/332245292.db2.gz DHTVSZSOAXYOPB-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n(CC=C)c1C ZINC000491657389 332268684 /nfs/dbraw/zinc/26/86/84/332268684.db2.gz KGANVRASUJNIML-GFCCVEGCSA-N 1 2 258.365 2.427 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CC=C)c1C ZINC000491657389 332268685 /nfs/dbraw/zinc/26/86/85/332268685.db2.gz KGANVRASUJNIML-GFCCVEGCSA-N 1 2 258.365 2.427 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cnc(C)cn2)n1 ZINC000491669476 332277047 /nfs/dbraw/zinc/27/70/47/332277047.db2.gz CKCSMYSYUFAYIE-CQSZACIVSA-N 1 2 283.379 2.198 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2cnc(C)cn2)n1 ZINC000491669476 332277049 /nfs/dbraw/zinc/27/70/49/332277049.db2.gz CKCSMYSYUFAYIE-CQSZACIVSA-N 1 2 283.379 2.198 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491681907 332284831 /nfs/dbraw/zinc/28/48/31/332284831.db2.gz OSPJVNDHMUZSAG-ZDUSSCGKSA-N 1 2 267.332 2.025 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000491705080 332298258 /nfs/dbraw/zinc/29/82/58/332298258.db2.gz ILYVTLWGKOOASZ-WMLDXEAASA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000491705080 332298260 /nfs/dbraw/zinc/29/82/60/332298260.db2.gz ILYVTLWGKOOASZ-WMLDXEAASA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1c(C)nnn1CC)c1ccc(F)cc1 ZINC000491724041 332308561 /nfs/dbraw/zinc/30/85/61/332308561.db2.gz AOXNJOMBHTXXTL-CQSZACIVSA-N 1 2 272.327 2.210 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491729862 332312115 /nfs/dbraw/zinc/31/21/15/332312115.db2.gz OIGUEYOMMDYBQC-KBPBESRZSA-N 1 2 299.292 2.073 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491729862 332312117 /nfs/dbraw/zinc/31/21/17/332312117.db2.gz OIGUEYOMMDYBQC-KBPBESRZSA-N 1 2 299.292 2.073 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCCC ZINC000491743032 332321498 /nfs/dbraw/zinc/32/14/98/332321498.db2.gz HKJSOFWWGFMGJD-CYBMUJFWSA-N 1 2 276.355 2.176 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCCC ZINC000491743032 332321499 /nfs/dbraw/zinc/32/14/99/332321499.db2.gz HKJSOFWWGFMGJD-CYBMUJFWSA-N 1 2 276.355 2.176 20 30 CEEDLO C#C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC000491750218 332326877 /nfs/dbraw/zinc/32/68/77/332326877.db2.gz UQDRGJLIZROMAM-ZDUSSCGKSA-N 1 2 255.321 2.030 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)C(C)C ZINC000491778336 332343524 /nfs/dbraw/zinc/34/35/24/332343524.db2.gz IMVVYIRGBLUMTN-OAHLLOKOSA-N 1 2 272.392 2.377 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)C(C)C ZINC000491778336 332343526 /nfs/dbraw/zinc/34/35/26/332343526.db2.gz IMVVYIRGBLUMTN-OAHLLOKOSA-N 1 2 272.392 2.377 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000491808637 332361680 /nfs/dbraw/zinc/36/16/80/332361680.db2.gz WNHMWCXDZIZNKW-LBPRGKRZSA-N 1 2 287.388 2.194 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000491808637 332361681 /nfs/dbraw/zinc/36/16/81/332361681.db2.gz WNHMWCXDZIZNKW-LBPRGKRZSA-N 1 2 287.388 2.194 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cc2ccccc2o1 ZINC000493751280 332452529 /nfs/dbraw/zinc/45/25/29/332452529.db2.gz HXCFZKYYWZOXQU-KBOKABMXSA-N 1 2 297.358 2.406 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000517378231 333098287 /nfs/dbraw/zinc/09/82/87/333098287.db2.gz ZFPROWMXFZCHDM-IUODEOHRSA-N 1 2 265.401 2.163 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000192235062 333233411 /nfs/dbraw/zinc/23/34/11/333233411.db2.gz RFARTHRAUHIOKR-ZDUSSCGKSA-N 1 2 276.405 2.149 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000192235062 333233412 /nfs/dbraw/zinc/23/34/12/333233412.db2.gz RFARTHRAUHIOKR-ZDUSSCGKSA-N 1 2 276.405 2.149 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(CC#N)CC2)cc1 ZINC000542258519 333818997 /nfs/dbraw/zinc/81/89/97/333818997.db2.gz 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/nfs/dbraw/zinc/33/65/04/334336504.db2.gz KDVPISPJUVJCNV-SWLSCSKDSA-N 1 2 290.794 2.277 20 30 CEEDLO Cc1nc(C(C)C)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566308613 334642143 /nfs/dbraw/zinc/64/21/43/334642143.db2.gz JNVKQTBVVLJBCU-AWEZNQCLSA-N 1 2 294.424 2.149 20 30 CEEDLO Cc1nc2ccccc2cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309331 334642322 /nfs/dbraw/zinc/64/23/22/334642322.db2.gz NWQGPTRMJGPYRK-QGZVFWFLSA-N 1 2 296.374 2.117 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000573079171 334906017 /nfs/dbraw/zinc/90/60/17/334906017.db2.gz KGILHAIWGRUGNT-YNEHKIRRSA-N 1 2 277.368 2.061 20 30 CEEDLO Cc1ccn2cc(C[NH2+]C[C@@H](C#N)CCC#N)nc2c1 ZINC000576339837 335191095 /nfs/dbraw/zinc/19/10/95/335191095.db2.gz YKUZZGUYQCAJRP-CYBMUJFWSA-N 1 2 267.336 2.176 20 30 CEEDLO N#CCC[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000580543277 335270033 /nfs/dbraw/zinc/27/00/33/335270033.db2.gz ABHZQVVHGMIOSZ-SECBINFHSA-N 1 2 281.718 2.088 20 30 CEEDLO 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C=CC[NH+]1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000950679218 613714840 /nfs/dbraw/zinc/71/48/40/613714840.db2.gz OYZGZHKPKOLXHN-UHFFFAOYSA-N 1 2 282.746 2.423 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000949918304 613715274 /nfs/dbraw/zinc/71/52/74/613715274.db2.gz KBKVXTZBJGACCZ-UHFFFAOYSA-N 1 2 283.375 2.122 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n([C@@H](C)CC)n2)CC1 ZINC000949016397 613715276 /nfs/dbraw/zinc/71/52/76/613715276.db2.gz PNKRMAMKLDKTMM-ZDUSSCGKSA-N 1 2 290.411 2.106 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(C)C)nc2C)CC1 ZINC000950555946 613715448 /nfs/dbraw/zinc/71/54/48/613715448.db2.gz VKIUNTGFZNFARK-UHFFFAOYSA-N 1 2 287.407 2.457 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)c(OCC)c2)CC1 ZINC000951172936 613715697 /nfs/dbraw/zinc/71/56/97/613715697.db2.gz NUEUQOOHBXCRSF-UHFFFAOYSA-N 1 2 288.391 2.338 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC000949999049 613716216 /nfs/dbraw/zinc/71/62/16/613716216.db2.gz FQXIEZJAFVJETI-UHFFFAOYSA-N 1 2 281.359 2.179 20 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C=CC[C@H](CC)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893683536 628915700 /nfs/dbraw/zinc/91/57/00/628915700.db2.gz JFQQVDOMTKRHFB-NWDGAFQWSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893683536 628915703 /nfs/dbraw/zinc/91/57/03/628915703.db2.gz JFQQVDOMTKRHFB-NWDGAFQWSA-N 1 2 264.373 2.426 20 30 CEEDLO Cc1n[nH]c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1C ZINC000893921363 629046042 /nfs/dbraw/zinc/04/60/42/629046042.db2.gz KRYNVXAUGSTULR-UHFFFAOYSA-N 1 2 295.390 2.220 20 30 CEEDLO Cn1cc2c(n1)CC/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000794962111 629374819 /nfs/dbraw/zinc/37/48/19/629374819.db2.gz NQALSERTFVWUKT-FLIBITNWSA-N 1 2 278.315 2.280 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(OC)c(OC)c1F)C1CC1 ZINC000894471822 629480347 /nfs/dbraw/zinc/48/03/47/629480347.db2.gz UBQSPMXXHVLBMX-UHFFFAOYSA-N 1 2 263.312 2.441 20 30 CEEDLO C#CC[N@H+](Cc1ccc(OC)c(OC)c1F)C1CC1 ZINC000894471822 629480350 /nfs/dbraw/zinc/48/03/50/629480350.db2.gz UBQSPMXXHVLBMX-UHFFFAOYSA-N 1 2 263.312 2.441 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000795327683 629516868 /nfs/dbraw/zinc/51/68/68/629516868.db2.gz AZXCXCLAMGUZLK-HZPDHXFCSA-N 1 2 271.360 2.162 20 30 CEEDLO C#CCCOC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796013281 629741197 /nfs/dbraw/zinc/74/11/97/629741197.db2.gz DULYGSCZFQWTSD-UHFFFAOYSA-N 1 2 278.258 2.189 20 30 CEEDLO COCCOc1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000894965465 629771170 /nfs/dbraw/zinc/77/11/70/629771170.db2.gz GFSHUYJVLWCLCC-UHFFFAOYSA-N 1 2 264.325 2.088 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895333689 630116885 /nfs/dbraw/zinc/11/68/85/630116885.db2.gz DFFLQRHAQZLDAU-AWEZNQCLSA-N 1 2 256.309 2.004 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895333689 630116889 /nfs/dbraw/zinc/11/68/89/630116889.db2.gz DFFLQRHAQZLDAU-AWEZNQCLSA-N 1 2 256.309 2.004 20 30 CEEDLO N#Cc1cnccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895351905 630131144 /nfs/dbraw/zinc/13/11/44/630131144.db2.gz GMDJPGSNMWHFAK-UHFFFAOYSA-N 1 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CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000305171236 631110850 /nfs/dbraw/zinc/11/08/50/631110850.db2.gz JPSLYZHQXXSAMU-RISCZKNCSA-N 1 2 277.324 2.110 20 30 CEEDLO Cc1nc(C2([NH2+]CCO[C@H](C)C#N)CCCCCC2)no1 ZINC000801931322 631359128 /nfs/dbraw/zinc/35/91/28/631359128.db2.gz XOVBDWUKXCHCJO-GFCCVEGCSA-N 1 2 292.383 2.446 20 30 CEEDLO CC1=C(Br)C[N@H+](CCO[C@@H](C)C#N)CC1 ZINC000801953819 631369870 /nfs/dbraw/zinc/36/98/70/631369870.db2.gz WDVVCZPQKGPLSM-JTQLQIEISA-N 1 2 273.174 2.290 20 30 CEEDLO CC1=C(Br)C[N@@H+](CCO[C@@H](C)C#N)CC1 ZINC000801953819 631369877 /nfs/dbraw/zinc/36/98/77/631369877.db2.gz WDVVCZPQKGPLSM-JTQLQIEISA-N 1 2 273.174 2.290 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000802658810 631441359 /nfs/dbraw/zinc/44/13/59/631441359.db2.gz RAWXPZXRNIMNOA-UHFFFAOYSA-N 1 2 271.360 2.454 20 30 CEEDLO C#CCCOc1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000802658810 631441362 /nfs/dbraw/zinc/44/13/62/631441362.db2.gz RAWXPZXRNIMNOA-UHFFFAOYSA-N 1 2 271.360 2.454 20 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296.378 2.100 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2c[nH]cc2C)CC1 ZINC000989660173 632219061 /nfs/dbraw/zinc/21/90/61/632219061.db2.gz YSTIVIGNPFZULQ-UHFFFAOYSA-N 1 2 281.787 2.224 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2c[nH]cc2C)CC1 ZINC000989660173 632219055 /nfs/dbraw/zinc/21/90/55/632219055.db2.gz YSTIVIGNPFZULQ-UHFFFAOYSA-N 1 2 281.787 2.224 20 30 CEEDLO C#Cc1ccccc1CC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000810665214 632254184 /nfs/dbraw/zinc/25/41/84/632254184.db2.gz SQTFMEYCNYIAOZ-UHFFFAOYSA-N 1 2 294.354 2.415 20 30 CEEDLO O=C1C[C@H](CC/[NH+]=C\c2c(O)ccc3ccccc32)CN1 ZINC000899226689 632743399 /nfs/dbraw/zinc/74/33/99/632743399.db2.gz WWDTUSGEKHXNPW-SJWFJVLYSA-N 1 2 282.343 2.491 20 30 CEEDLO CCC(=[NH+]Nc1nc(C)cc(=O)[nH]1)c1cccc(N)c1 ZINC000814681479 632879966 /nfs/dbraw/zinc/87/99/66/632879966.db2.gz OFDWIUQGFNTEBP-UHFFFAOYSA-N 1 2 271.324 2.299 20 30 CEEDLO C=C1C[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000899901306 633085631 /nfs/dbraw/zinc/08/56/31/633085631.db2.gz IGAOXZNRDVYJMW-LBPRGKRZSA-N 1 2 298.180 2.061 20 30 CEEDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902849591 634860255 /nfs/dbraw/zinc/86/02/55/634860255.db2.gz SGPDWIPNDLHURL-NSHDSACASA-N 1 2 299.378 2.109 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)nn1 ZINC000818225141 633888868 /nfs/dbraw/zinc/88/88/68/633888868.db2.gz ZMQGWKXAZCKIBL-UHFFFAOYSA-N 1 2 292.770 2.421 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000901337550 634052549 /nfs/dbraw/zinc/05/25/49/634052549.db2.gz PHVWXGHOEQPHAA-ZQHYZAEZSA-N 1 2 280.412 2.126 20 30 CEEDLO COc1cccc(N=NCc2c[nH+]cn2C(C)C)n1 ZINC000819811832 634269152 /nfs/dbraw/zinc/26/91/52/634269152.db2.gz DKMNMPIXEDBISY-UHFFFAOYSA-N 1 2 259.313 2.314 20 30 CEEDLO C#CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819878027 634275764 /nfs/dbraw/zinc/27/57/64/634275764.db2.gz AOCCAHJEEMSEPU-AWEZNQCLSA-N 1 2 267.332 2.071 20 30 CEEDLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(C#N)ccn1 ZINC000902956664 634912250 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CCn1nc(C)c(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)n1 ZINC000905085102 635799037 /nfs/dbraw/zinc/79/90/37/635799037.db2.gz FXDSWYBCSKSFKO-BQYQJAHWSA-N 1 2 295.346 2.459 20 30 CEEDLO Cn1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC000826861281 635864167 /nfs/dbraw/zinc/86/41/67/635864167.db2.gz DJAVKYHNNHKFRN-JTQLQIEISA-N 1 2 252.749 2.199 20 30 CEEDLO Cn1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC000826861281 635864172 /nfs/dbraw/zinc/86/41/72/635864172.db2.gz DJAVKYHNNHKFRN-JTQLQIEISA-N 1 2 252.749 2.199 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C(C)(C)C)o1 ZINC000826908070 635877525 /nfs/dbraw/zinc/87/75/25/635877525.db2.gz DGQHFPYFVJBEEZ-AWEZNQCLSA-N 1 2 288.391 2.291 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C(C)(C)C)o1 ZINC000826908070 635877532 /nfs/dbraw/zinc/87/75/32/635877532.db2.gz DGQHFPYFVJBEEZ-AWEZNQCLSA-N 1 2 288.391 2.291 20 30 CEEDLO CCO[C@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000905484219 636286280 /nfs/dbraw/zinc/28/62/80/636286280.db2.gz NZEPXVPRBCLPOC-AWEZNQCLSA-N 1 2 264.373 2.198 20 30 CEEDLO COC[C@H](C)NN=C(C)c1cccc(-n2cc[nH+]c2)c1 ZINC000905460165 636291187 /nfs/dbraw/zinc/29/11/87/636291187.db2.gz KLUFZLURDVEGFT-LBPRGKRZSA-N 1 2 272.352 2.221 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1c[nH]c2ccccc12)C(=O)OC ZINC000905747712 636409576 /nfs/dbraw/zinc/40/95/76/636409576.db2.gz RDQFKIRMBFXDMO-HNNXBMFYSA-N 1 2 272.348 2.418 20 30 CEEDLO C#CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(C)C ZINC000905750668 636412671 /nfs/dbraw/zinc/41/26/71/636412671.db2.gz XFZJYIHGOZQHKZ-UHFFFAOYSA-N 1 2 299.334 2.154 20 30 CEEDLO C#CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(C)C ZINC000905750668 636412675 /nfs/dbraw/zinc/41/26/75/636412675.db2.gz XFZJYIHGOZQHKZ-UHFFFAOYSA-N 1 2 299.334 2.154 20 30 CEEDLO C=CC[C@H]([NH2+]CCCOC1CCCC1)C(=O)OC ZINC000905753643 636441741 /nfs/dbraw/zinc/44/17/41/636441741.db2.gz BQKSWVHZICXDOU-ZDUSSCGKSA-N 1 2 255.358 2.043 20 30 CEEDLO C#CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC000906274304 636675756 /nfs/dbraw/zinc/67/57/56/636675756.db2.gz QGSKIIMKIBYSFM-UHFFFAOYSA-N 1 2 283.375 2.446 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000829344954 636831248 /nfs/dbraw/zinc/83/12/48/636831248.db2.gz VRKXEVBIDJKNKX-HUUCEWRRSA-N 1 2 294.358 2.251 20 30 CEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000908668256 637452917 /nfs/dbraw/zinc/45/29/17/637452917.db2.gz HPHOPQKTDMLEGJ-KGLIPLIRSA-N 1 2 289.379 2.361 20 30 CEEDLO Cc1cc(N=NC2CCCc3[nH+]c(N)ccc32)nc(C)n1 ZINC000834941105 637994152 /nfs/dbraw/zinc/99/41/52/637994152.db2.gz UKBZNFZMHCASHQ-UHFFFAOYSA-N 1 2 282.351 2.223 20 30 CEEDLO CCC1(O)CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876764234 650424599 /nfs/dbraw/zinc/42/45/99/650424599.db2.gz MBGNHKKVAFYFPX-UHFFFAOYSA-N 1 2 279.771 2.344 20 30 CEEDLO C=CCCCCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000912048417 638534609 /nfs/dbraw/zinc/53/46/09/638534609.db2.gz GQUXCLMWKLSQGA-SQFISAMPSA-N 1 2 280.412 2.128 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cnc2c(cnn2C)c1)C1CC1 ZINC000876791762 650432844 /nfs/dbraw/zinc/43/28/44/650432844.db2.gz MTQXLAIMAOYWBW-LLVKDONJSA-N 1 2 269.352 2.092 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cnc2c(cnn2C)c1)C1CC1 ZINC000876791762 650432846 /nfs/dbraw/zinc/43/28/46/650432846.db2.gz MTQXLAIMAOYWBW-LLVKDONJSA-N 1 2 269.352 2.092 20 30 CEEDLO N#C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC2CCC1CC2 ZINC000912585116 638735658 /nfs/dbraw/zinc/73/56/58/638735658.db2.gz XELCVKIWVWBZDF-GAWYNMALSA-N 1 2 284.363 2.164 20 30 CEEDLO CCCCCCCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913473024 639289616 /nfs/dbraw/zinc/28/96/16/639289616.db2.gz KKXWHEWFSLMNQU-HNNXBMFYSA-N 1 2 292.427 2.254 20 30 CEEDLO CC(C)c1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000172059413 639742155 /nfs/dbraw/zinc/74/21/55/639742155.db2.gz IDBMONNGRPXSAQ-UHFFFAOYSA-N 1 2 274.324 2.225 20 30 CEEDLO COc1c(O)c(C[NH2+]CC2(C#N)CCC2)ccc1[N+](=O)[O-] ZINC000841899183 639902353 /nfs/dbraw/zinc/90/23/53/639902353.db2.gz UCPHLHQLEBOKAK-UHFFFAOYSA-N 1 2 291.307 2.092 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCC2(C#N)CCC2)ccc1F ZINC000842024025 639922168 /nfs/dbraw/zinc/92/21/68/639922168.db2.gz ZTOYCFXCIUYPSQ-UHFFFAOYSA-N 1 2 261.300 2.465 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](Cn2ccc(Br)n2)C1 ZINC000842629712 640126054 /nfs/dbraw/zinc/12/60/54/640126054.db2.gz QHCYAWQYGCPYEC-NSHDSACASA-N 1 2 282.185 2.338 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](Cn2ccc(Br)n2)C1 ZINC000842629712 640126060 /nfs/dbraw/zinc/12/60/60/640126060.db2.gz QHCYAWQYGCPYEC-NSHDSACASA-N 1 2 282.185 2.338 20 30 CEEDLO C=CCCO[C@H](C)C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842889979 640213527 /nfs/dbraw/zinc/21/35/27/640213527.db2.gz KAHCTNLLSYQPTB-CYBMUJFWSA-N 1 2 290.363 2.042 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccon2)[C@@H]1C ZINC000993046672 640415093 /nfs/dbraw/zinc/41/50/93/640415093.db2.gz FEWBSRXQEZAOGC-QWRGUYRKSA-N 1 2 283.759 2.010 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccon2)[C@@H]1C ZINC000993046672 640415097 /nfs/dbraw/zinc/41/50/97/640415097.db2.gz FEWBSRXQEZAOGC-QWRGUYRKSA-N 1 2 283.759 2.010 20 30 CEEDLO COc1ccnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000914696789 640455191 /nfs/dbraw/zinc/45/51/91/640455191.db2.gz ODVARCFQWDNQML-UHFFFAOYSA-N 1 2 294.318 2.117 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn(C)c2)[C@@H]1C ZINC000993234562 640565847 /nfs/dbraw/zinc/56/58/47/640565847.db2.gz PISJXRAVUXTGNC-JSGCOSHPSA-N 1 2 295.814 2.360 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)c2)[C@@H]1C ZINC000993234562 640565850 /nfs/dbraw/zinc/56/58/50/640565850.db2.gz PISJXRAVUXTGNC-JSGCOSHPSA-N 1 2 295.814 2.360 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000844375416 640698512 /nfs/dbraw/zinc/69/85/12/640698512.db2.gz GGHNDLVKVUXQMK-ZDUSSCGKSA-N 1 2 267.332 2.479 20 30 CEEDLO CC[C@H](C#N)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000845266658 640940473 /nfs/dbraw/zinc/94/04/73/640940473.db2.gz ODVVWXZTNJQCAU-SNVBAGLBSA-N 1 2 280.397 2.473 20 30 CEEDLO C[C@@H](CC(=O)OCc1ccccc1C#N)n1cc[nH+]c1 ZINC000845275672 640942113 /nfs/dbraw/zinc/94/21/13/640942113.db2.gz GUSHJQXHVVQSAG-LBPRGKRZSA-N 1 2 269.304 2.449 20 30 CEEDLO C=C(Br)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845282638 640943945 /nfs/dbraw/zinc/94/39/45/640943945.db2.gz SWFJGEAONAJXIM-SECBINFHSA-N 1 2 273.130 2.286 20 30 CEEDLO N#Cc1cncc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000930023365 640959527 /nfs/dbraw/zinc/95/95/27/640959527.db2.gz CRKAKGSLDTWHRK-QGZVFWFLSA-N 1 2 279.343 2.045 20 30 CEEDLO N#Cc1cncc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000930023365 640959530 /nfs/dbraw/zinc/95/95/30/640959530.db2.gz CRKAKGSLDTWHRK-QGZVFWFLSA-N 1 2 279.343 2.045 20 30 CEEDLO C#CCC[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845603309 641011836 /nfs/dbraw/zinc/01/18/36/641011836.db2.gz RJRDFGJQOYLNTH-GFCCVEGCSA-N 1 2 260.337 2.107 20 30 CEEDLO C=C[C@@H](C)ONC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000845624638 641025090 /nfs/dbraw/zinc/02/50/90/641025090.db2.gz SXZUMIONHZOWSS-CYBMUJFWSA-N 1 2 294.399 2.373 20 30 CEEDLO C#CC[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000846278752 641254407 /nfs/dbraw/zinc/25/44/07/641254407.db2.gz TWMAIJZFZMJNDC-CQSZACIVSA-N 1 2 285.391 2.024 20 30 CEEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)cnn1C ZINC000179861308 641389436 /nfs/dbraw/zinc/38/94/36/641389436.db2.gz CWMBEMWWMVPZEV-VOTSOKGWSA-N 1 2 266.304 2.272 20 30 CEEDLO Cn1c(Cl)ncc1CNc1cc(CC#N)cc[nH+]1 ZINC000846774409 641419512 /nfs/dbraw/zinc/41/95/12/641419512.db2.gz CXOVJLSDTWBCMD-UHFFFAOYSA-N 1 2 261.716 2.147 20 30 CEEDLO CC[C@@H](C#N)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181185508 641518971 /nfs/dbraw/zinc/51/89/71/641518971.db2.gz DLBWSEWCFMYNTK-ZDUSSCGKSA-N 1 2 255.277 2.331 20 30 CEEDLO CCOC(=O)[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCCCCC1 ZINC000847081185 641560435 /nfs/dbraw/zinc/56/04/35/641560435.db2.gz QUCMGTOPRFTMFG-ZFWWWQNUSA-N 1 2 296.411 2.407 20 30 CEEDLO CC1(CO)CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877358428 650689207 /nfs/dbraw/zinc/68/92/07/650689207.db2.gz CJOAWIVTIRBLBF-UHFFFAOYSA-N 1 2 279.771 2.201 20 30 CEEDLO COC(=O)c1ccc(CO[NH+]=C(N)Cc2ccccc2)o1 ZINC000072001936 641849313 /nfs/dbraw/zinc/84/93/13/641849313.db2.gz VLSDJVVDWKNSKQ-UHFFFAOYSA-N 1 2 288.303 2.098 20 30 CEEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)ccc1F ZINC000848418675 641987227 /nfs/dbraw/zinc/98/72/27/641987227.db2.gz RQBZRAAKSAOHQV-UHFFFAOYSA-N 1 2 260.316 2.344 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc(F)cc32)C1 ZINC000848495032 642014243 /nfs/dbraw/zinc/01/42/43/642014243.db2.gz XWZQIYQZXRZYLL-NSHDSACASA-N 1 2 274.295 2.036 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc(F)cc32)C1 ZINC000848495032 642014249 /nfs/dbraw/zinc/01/42/49/642014249.db2.gz XWZQIYQZXRZYLL-NSHDSACASA-N 1 2 274.295 2.036 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1C ZINC000877464807 650731868 /nfs/dbraw/zinc/73/18/68/650731868.db2.gz RNCBCWDRTGVZIM-MFKMUULPSA-N 1 2 279.771 2.463 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1C ZINC000877464807 650731870 /nfs/dbraw/zinc/73/18/70/650731870.db2.gz RNCBCWDRTGVZIM-MFKMUULPSA-N 1 2 279.771 2.463 20 30 CEEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)c1ccccc1C ZINC000849213763 642284214 /nfs/dbraw/zinc/28/42/14/642284214.db2.gz RUFHFPGENDSORE-UHFFFAOYSA-N 1 2 287.363 2.042 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1nccc(C)c1Br ZINC000877514205 650759742 /nfs/dbraw/zinc/75/97/42/650759742.db2.gz JXHIGHZBAVAPNO-SECBINFHSA-N 1 2 253.143 2.264 20 30 CEEDLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000922034678 642850689 /nfs/dbraw/zinc/85/06/89/642850689.db2.gz NEXSUWSRJKPINA-UHFFFAOYSA-N 1 2 275.743 2.182 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](OC)C1CCCC1 ZINC000851737746 643136860 /nfs/dbraw/zinc/13/68/60/643136860.db2.gz MXDQTANGQRTNKD-CQSZACIVSA-N 1 2 269.385 2.243 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](OC)C1CCCC1 ZINC000851737746 643136863 /nfs/dbraw/zinc/13/68/63/643136863.db2.gz MXDQTANGQRTNKD-CQSZACIVSA-N 1 2 269.385 2.243 20 30 CEEDLO C#CCOCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000851745138 643142299 /nfs/dbraw/zinc/14/22/99/643142299.db2.gz WGXYLAJMNSYZOR-UHFFFAOYSA-N 1 2 253.292 2.437 20 30 CEEDLO C#CCOCC[N@H+](CC)Cc1c(F)cccc1F ZINC000851745138 643142304 /nfs/dbraw/zinc/14/23/04/643142304.db2.gz WGXYLAJMNSYZOR-UHFFFAOYSA-N 1 2 253.292 2.437 20 30 CEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CCCC2)CC1 ZINC001004327388 643225015 /nfs/dbraw/zinc/22/50/15/643225015.db2.gz PYVKLMWIKXABQD-INIZCTEOSA-N 1 2 289.423 2.403 20 30 CEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CCCC2)CC1 ZINC001004327388 643225024 /nfs/dbraw/zinc/22/50/24/643225024.db2.gz PYVKLMWIKXABQD-INIZCTEOSA-N 1 2 289.423 2.403 20 30 CEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCCC2)CC1 ZINC001004327390 643225424 /nfs/dbraw/zinc/22/54/24/643225424.db2.gz PYVKLMWIKXABQD-MRXNPFEDSA-N 1 2 289.423 2.403 20 30 CEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCCC2)CC1 ZINC001004327390 643225426 /nfs/dbraw/zinc/22/54/26/643225426.db2.gz PYVKLMWIKXABQD-MRXNPFEDSA-N 1 2 289.423 2.403 20 30 CEEDLO CC(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004337986 643231621 /nfs/dbraw/zinc/23/16/21/643231621.db2.gz XVBJIJDBXCRRQU-OAHLLOKOSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004337986 643231634 /nfs/dbraw/zinc/23/16/34/643231634.db2.gz XVBJIJDBXCRRQU-OAHLLOKOSA-N 1 2 277.412 2.259 20 30 CEEDLO CC[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004345644 643241577 /nfs/dbraw/zinc/24/15/77/643241577.db2.gz IULXNRJPBWTGQP-UKRRQHHQSA-N 1 2 277.412 2.259 20 30 CEEDLO CC[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004345644 643241583 /nfs/dbraw/zinc/24/15/83/643241583.db2.gz IULXNRJPBWTGQP-UKRRQHHQSA-N 1 2 277.412 2.259 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852319208 643392985 /nfs/dbraw/zinc/39/29/85/643392985.db2.gz IBDGZRRHLSXSRK-MRXNPFEDSA-N 1 2 295.390 2.452 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852319208 643392991 /nfs/dbraw/zinc/39/29/91/643392991.db2.gz IBDGZRRHLSXSRK-MRXNPFEDSA-N 1 2 295.390 2.452 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cccnc1Cl)[C@@H](C)COC ZINC000852356562 643405984 /nfs/dbraw/zinc/40/59/84/643405984.db2.gz IEVAESXAJJBOKS-NSHDSACASA-N 1 2 297.786 2.196 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cccnc1Cl)[C@@H](C)COC ZINC000852356562 643405988 /nfs/dbraw/zinc/40/59/88/643405988.db2.gz IEVAESXAJJBOKS-NSHDSACASA-N 1 2 297.786 2.196 20 30 CEEDLO C=C(Cl)C[C@@H]([NH2+]CC[C@@H]1CCOC1)C(=O)OCC ZINC000877672234 650844376 /nfs/dbraw/zinc/84/43/76/650844376.db2.gz ZDRQQMNLDAVNHH-VXGBXAGGSA-N 1 2 275.776 2.077 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+]CC1CC(OCC)C1)C(=O)OCC ZINC000877671867 650843724 /nfs/dbraw/zinc/84/37/24/650843724.db2.gz QLCFBGKQDRZSQY-BPCQOVAHSA-N 1 2 289.803 2.465 20 30 CEEDLO C=C(Cl)C[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OCC ZINC000877671523 650843751 /nfs/dbraw/zinc/84/37/51/650843751.db2.gz JZUOVVOLAHXYDV-LLVKDONJSA-N 1 2 285.775 2.190 20 30 CEEDLO N#Cc1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1 ZINC000923008960 643510466 /nfs/dbraw/zinc/51/04/66/643510466.db2.gz CAXIAGJJFCONOI-UHFFFAOYSA-N 1 2 294.358 2.144 20 30 CEEDLO C=C(C)C[C@H]([NH2+]Cc1ccc(C)cc1O)C(=O)OC ZINC000877689249 650851692 /nfs/dbraw/zinc/85/16/92/650851692.db2.gz CFPPPBDOFFWRRY-ZDUSSCGKSA-N 1 2 263.337 2.298 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc(C2(C#N)CC2)cc1 ZINC000853339886 643747902 /nfs/dbraw/zinc/74/79/02/643747902.db2.gz DTAYGNHODJLSEW-UHFFFAOYSA-N 1 2 265.320 2.421 20 30 CEEDLO C#CCCCNc1nc[nH+]c(NCCCC#C)c1C ZINC000853387131 643760947 /nfs/dbraw/zinc/76/09/47/643760947.db2.gz LBALZLYYIUYXHR-UHFFFAOYSA-N 1 2 256.353 2.436 20 30 CEEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)[C@H](C)COC ZINC000853535147 643804650 /nfs/dbraw/zinc/80/46/50/643804650.db2.gz PRMZRAFAZBONFJ-RBSFLKMASA-N 1 2 280.412 2.258 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)[C@H](C)COC ZINC000853535147 643804655 /nfs/dbraw/zinc/80/46/55/643804655.db2.gz PRMZRAFAZBONFJ-RBSFLKMASA-N 1 2 280.412 2.258 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@@](C)(O)C1 ZINC000853693108 643867435 /nfs/dbraw/zinc/86/74/35/643867435.db2.gz IYBANTGROFICNF-JNSHFYNHSA-N 1 2 260.337 2.199 20 30 CEEDLO C#C[C@@](C)(CC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000854701809 644137940 /nfs/dbraw/zinc/13/79/40/644137940.db2.gz WECCMEWHCOKNAN-KRWDZBQOSA-N 1 2 281.359 2.463 20 30 CEEDLO C=C(C)CONC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855026642 644234496 /nfs/dbraw/zinc/23/44/96/644234496.db2.gz LBKOLWCKONSAIB-MRXNPFEDSA-N 1 2 288.391 2.490 20 30 CEEDLO CCCCC1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753954455 644303370 /nfs/dbraw/zinc/30/33/70/644303370.db2.gz BPJKMLDPYUBRFW-SNVBAGLBSA-N 1 2 293.440 2.370 20 30 CEEDLO CCCCC1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753954455 644303375 /nfs/dbraw/zinc/30/33/75/644303375.db2.gz BPJKMLDPYUBRFW-SNVBAGLBSA-N 1 2 293.440 2.370 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC[C@H](C(F)(F)F)O1 ZINC000877820041 650921153 /nfs/dbraw/zinc/92/11/53/650921153.db2.gz FWIVNDRODFCXIL-ZWNOBZJWSA-N 1 2 299.296 2.495 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC[C@H](C(F)(F)F)O1 ZINC000877820041 650921154 /nfs/dbraw/zinc/92/11/54/650921154.db2.gz FWIVNDRODFCXIL-ZWNOBZJWSA-N 1 2 299.296 2.495 20 30 CEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccccc1 ZINC000755462191 644520338 /nfs/dbraw/zinc/52/03/38/644520338.db2.gz PSMCMCNLWNZGTE-UHFFFAOYSA-N 1 2 299.378 2.011 20 30 CEEDLO Cn1c[nH+]cc1CN=Nc1ccc(Br)cn1 ZINC000755689030 644545475 /nfs/dbraw/zinc/54/54/75/644545475.db2.gz JKOZVJXVGKGBIL-UHFFFAOYSA-N 1 2 280.129 2.024 20 30 CEEDLO C#CCCCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755894080 644577631 /nfs/dbraw/zinc/57/76/31/644577631.db2.gz FHHUCEBAZFYNLB-UHFFFAOYSA-N 1 2 260.337 2.384 20 30 CEEDLO COCC[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000755944483 644585570 /nfs/dbraw/zinc/58/55/70/644585570.db2.gz ZNUZIJQTBLUHNR-VIFPVBQESA-N 1 2 256.733 2.402 20 30 CEEDLO Cn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)n1 ZINC000857048977 644801214 /nfs/dbraw/zinc/80/12/14/644801214.db2.gz DOCSLPFQMOIQBQ-SNVBAGLBSA-N 1 2 252.749 2.199 20 30 CEEDLO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)n1 ZINC000857048977 644801216 /nfs/dbraw/zinc/80/12/16/644801216.db2.gz DOCSLPFQMOIQBQ-SNVBAGLBSA-N 1 2 252.749 2.199 20 30 CEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCCN(C)CC1)c1ccccc1 ZINC000877934823 650952218 /nfs/dbraw/zinc/95/22/18/650952218.db2.gz FNBNOZWYOGQGTJ-SFHVURJKSA-N 1 2 299.418 2.065 20 30 CEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCN(C)CC1)c1ccccc1 ZINC000877934823 650952220 /nfs/dbraw/zinc/95/22/20/650952220.db2.gz FNBNOZWYOGQGTJ-SFHVURJKSA-N 1 2 299.418 2.065 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2ncc(Cl)cn2)cn1C ZINC000857220878 644854029 /nfs/dbraw/zinc/85/40/29/644854029.db2.gz OZZMPKBSOJJZDF-UHFFFAOYSA-N 1 2 264.720 2.008 20 30 CEEDLO C#CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000857944865 645017040 /nfs/dbraw/zinc/01/70/40/645017040.db2.gz BFBBRJFIOFDPGC-CQSZACIVSA-N 1 2 285.391 2.288 20 30 CEEDLO C=CCCOCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982436 645035035 /nfs/dbraw/zinc/03/50/35/645035035.db2.gz OYINVKKQFJGPOW-CYBMUJFWSA-N 1 2 277.368 2.207 20 30 CEEDLO CCCCCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858111351 645064374 /nfs/dbraw/zinc/06/43/74/645064374.db2.gz CKWIOTFIGLJYNQ-HUUCEWRRSA-N 1 2 299.459 2.365 20 30 CEEDLO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000878022525 650976561 /nfs/dbraw/zinc/97/65/61/650976561.db2.gz JXEBQCBGPJJPJS-CMPLNLGQSA-N 1 2 263.341 2.285 20 30 CEEDLO C=CC[C@H](C)[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000878022525 650976563 /nfs/dbraw/zinc/97/65/63/650976563.db2.gz JXEBQCBGPJJPJS-CMPLNLGQSA-N 1 2 263.341 2.285 20 30 CEEDLO C#C[C@H](Nc1nc2ccccc2n2c[nH+]cc12)[C@H]1CCCO1 ZINC000858487664 645178928 /nfs/dbraw/zinc/17/89/28/645178928.db2.gz FFKNQNURIRIDHE-BLLLJJGKSA-N 1 2 292.342 2.475 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000858515040 645188192 /nfs/dbraw/zinc/18/81/92/645188192.db2.gz ZZMBQMOSWQXRMR-CYBMUJFWSA-N 1 2 296.374 2.237 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2ccn(C)n2)c1 ZINC000761016257 645222947 /nfs/dbraw/zinc/22/29/47/645222947.db2.gz WZJFPQYJGOYETL-WJDWOHSUSA-N 1 2 273.336 2.186 20 30 CEEDLO C#CC[C@H](CCOC)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000858857414 645272653 /nfs/dbraw/zinc/27/26/53/645272653.db2.gz ULQQMSLLQXBCFP-GFCCVEGCSA-N 1 2 291.399 2.111 20 30 CEEDLO C#CC[C@H](CCOC)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000858857414 645272657 /nfs/dbraw/zinc/27/26/57/645272657.db2.gz ULQQMSLLQXBCFP-GFCCVEGCSA-N 1 2 291.399 2.111 20 30 CEEDLO Cc1ccc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1C#N ZINC000859205814 645418087 /nfs/dbraw/zinc/41/80/87/645418087.db2.gz NSHHQBIJFHXVRN-UHFFFAOYSA-N 1 2 294.420 2.122 20 30 CEEDLO Cc1ccc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc1C#N ZINC000859205814 645418092 /nfs/dbraw/zinc/41/80/92/645418092.db2.gz NSHHQBIJFHXVRN-UHFFFAOYSA-N 1 2 294.420 2.122 20 30 CEEDLO CC(C)c1nc(C#N)c(N=NCc2ccc[nH+]c2N)o1 ZINC000764683410 645674357 /nfs/dbraw/zinc/67/43/57/645674357.db2.gz XONPVYPABCRCFM-UHFFFAOYSA-N 1 2 270.296 2.093 20 30 CEEDLO C[C@H](C[N@H+](C)C[C@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097316 645699516 /nfs/dbraw/zinc/69/95/16/645699516.db2.gz PBCAIHXBKDXZNV-OLZOCXBDSA-N 1 2 294.399 2.275 20 30 CEEDLO C[C@H](C[N@@H+](C)C[C@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000860097316 645699522 /nfs/dbraw/zinc/69/95/22/645699522.db2.gz PBCAIHXBKDXZNV-OLZOCXBDSA-N 1 2 294.399 2.275 20 30 CEEDLO C#CCCCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000878259938 651047398 /nfs/dbraw/zinc/04/73/98/651047398.db2.gz LHAYZYQBYIKIFD-CQSZACIVSA-N 1 2 276.405 2.415 20 30 CEEDLO C#CCCCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000878259938 651047403 /nfs/dbraw/zinc/04/74/03/651047403.db2.gz LHAYZYQBYIKIFD-CQSZACIVSA-N 1 2 276.405 2.415 20 30 CEEDLO CC(=[NH+]NCc1ccc(C#N)cc1)c1csc(N)n1 ZINC000769822006 646323339 /nfs/dbraw/zinc/32/33/39/646323339.db2.gz UZLFBOGRNOLGCE-UHFFFAOYSA-N 1 2 271.349 2.111 20 30 CEEDLO O=[N+]([O-])c1ccc(N=NCc2cccc3[nH+]ccn32)nc1 ZINC000771098538 646490586 /nfs/dbraw/zinc/49/05/86/646490586.db2.gz QVQWFCVZAYOYEW-UHFFFAOYSA-N 1 2 282.263 2.084 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cc1cnccn1)C2 ZINC000862542546 646491240 /nfs/dbraw/zinc/49/12/40/646491240.db2.gz SEIPNUOBJHMLSY-UHFFFAOYSA-N 1 2 264.332 2.101 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cnccn1)C2 ZINC000862542546 646491242 /nfs/dbraw/zinc/49/12/42/646491242.db2.gz SEIPNUOBJHMLSY-UHFFFAOYSA-N 1 2 264.332 2.101 20 30 CEEDLO C=CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000771639134 646539446 /nfs/dbraw/zinc/53/94/46/646539446.db2.gz FVYKRKYPBFHYMH-UHFFFAOYSA-N 1 2 299.334 2.461 20 30 CEEDLO C=CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000771639134 646539453 /nfs/dbraw/zinc/53/94/53/646539453.db2.gz FVYKRKYPBFHYMH-UHFFFAOYSA-N 1 2 299.334 2.461 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1nc(C)cs1 ZINC000863126487 646647955 /nfs/dbraw/zinc/64/79/55/646647955.db2.gz JVKOFHNANISKAJ-UHFFFAOYSA-N 1 2 263.370 2.052 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](Cn1cc[nH]c1=S)C2 ZINC000863336800 646706469 /nfs/dbraw/zinc/70/64/69/646706469.db2.gz UUZCFGXPBPBRSX-UHFFFAOYSA-N 1 2 284.388 2.254 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](Cn1cc[nH]c1=S)C2 ZINC000863336800 646706472 /nfs/dbraw/zinc/70/64/72/646706472.db2.gz UUZCFGXPBPBRSX-UHFFFAOYSA-N 1 2 284.388 2.254 20 30 CEEDLO C[C@@H]1CN(C[N@@H+]2CCc3c(CC#N)cccc3C2)C(=O)[C@H]1C ZINC000863335897 646706624 /nfs/dbraw/zinc/70/66/24/646706624.db2.gz LWSZWWBFBFGQKJ-KGLIPLIRSA-N 1 2 297.402 2.183 20 30 CEEDLO C[C@@H]1CN(C[N@H+]2CCc3c(CC#N)cccc3C2)C(=O)[C@H]1C ZINC000863335897 646706628 /nfs/dbraw/zinc/70/66/28/646706628.db2.gz LWSZWWBFBFGQKJ-KGLIPLIRSA-N 1 2 297.402 2.183 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000775341402 646942927 /nfs/dbraw/zinc/94/29/27/646942927.db2.gz MGRFWFWBWGXTHT-DGCLKSJQSA-N 1 2 276.405 2.292 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@H]1CCCO1 ZINC000775797520 646994623 /nfs/dbraw/zinc/99/46/23/646994623.db2.gz DQISCDYTWSFTAA-ZIAGYGMSSA-N 1 2 291.420 2.012 20 30 CEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(C#N)c1 ZINC000864984970 647146914 /nfs/dbraw/zinc/14/69/14/647146914.db2.gz DHNXVLTYFJCMKG-CYBMUJFWSA-N 1 2 286.335 2.192 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000777543670 647147244 /nfs/dbraw/zinc/14/72/44/647147244.db2.gz GNETYWUNDXXRQS-HNNXBMFYSA-N 1 2 258.365 2.386 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000777543670 647147250 /nfs/dbraw/zinc/14/72/50/647147250.db2.gz GNETYWUNDXXRQS-HNNXBMFYSA-N 1 2 258.365 2.386 20 30 CEEDLO CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000779878593 647368142 /nfs/dbraw/zinc/36/81/42/647368142.db2.gz LSSHFKYSONBKHN-CQSZACIVSA-N 1 2 277.412 2.464 20 30 CEEDLO Cn1ncc(Cl)c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000780526224 647439566 /nfs/dbraw/zinc/43/95/66/647439566.db2.gz AXTHNWQHMIDFQX-UHFFFAOYSA-N 1 2 278.718 2.374 20 30 CEEDLO Cc1nsc(N[C@H]2CCC[N@H+](CCF)C2)c1C#N ZINC000865928457 647539633 /nfs/dbraw/zinc/53/96/33/647539633.db2.gz YJWNWLAHCMZUJV-JTQLQIEISA-N 1 2 268.361 2.169 20 30 CEEDLO Cc1nsc(N[C@H]2CCC[N@@H+](CCF)C2)c1C#N ZINC000865928457 647539636 /nfs/dbraw/zinc/53/96/36/647539636.db2.gz YJWNWLAHCMZUJV-JTQLQIEISA-N 1 2 268.361 2.169 20 30 CEEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000782586096 647639853 /nfs/dbraw/zinc/63/98/53/647639853.db2.gz RHFRONXQZNMYSQ-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000782586096 647639855 /nfs/dbraw/zinc/63/98/55/647639855.db2.gz RHFRONXQZNMYSQ-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C#CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783002566 647668954 /nfs/dbraw/zinc/66/89/54/647668954.db2.gz IMMLFVNHFHLRPJ-UHFFFAOYSA-N 1 2 288.395 2.108 20 30 CEEDLO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866228144 647681642 /nfs/dbraw/zinc/68/16/42/647681642.db2.gz GEFXAXXEABQVFH-RYUDHWBXSA-N 1 2 270.336 2.200 20 30 CEEDLO C[C@H]([NH2+]CCOCC(F)(F)F)c1cccc(C#N)c1O ZINC000866245632 647692154 /nfs/dbraw/zinc/69/21/54/647692154.db2.gz ZCBPHIJEYVDPIH-VIFPVBQESA-N 1 2 288.269 2.493 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C#N)c1O ZINC000866266581 647705298 /nfs/dbraw/zinc/70/52/98/647705298.db2.gz KWGHCCJWPYRVLB-BPNCWPANSA-N 1 2 260.337 2.218 20 30 CEEDLO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866265907 647705398 /nfs/dbraw/zinc/70/53/98/647705398.db2.gz VDGZLIUUZMZFHX-XHDPSFHLSA-N 1 2 262.353 2.466 20 30 CEEDLO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866271502 647709221 /nfs/dbraw/zinc/70/92/21/647709221.db2.gz MHLVYYVPROQJJX-ZYHUDNBSSA-N 1 2 280.393 2.028 20 30 CEEDLO C[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(C#N)c1O ZINC000866276577 647712070 /nfs/dbraw/zinc/71/20/70/647712070.db2.gz ROQRDZCUOJDUEE-LLVKDONJSA-N 1 2 262.353 2.323 20 30 CEEDLO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866310800 647731115 /nfs/dbraw/zinc/73/11/15/647731115.db2.gz WBQOFGREJJIWMI-QMTHXVAHSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(C#N)c1O ZINC000866386016 647767676 /nfs/dbraw/zinc/76/76/76/647767676.db2.gz VVDKTOHHADSABO-PWSUYJOCSA-N 1 2 260.337 2.482 20 30 CEEDLO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866389112 647769605 /nfs/dbraw/zinc/76/96/05/647769605.db2.gz PVGLHJUYYMVEIJ-RAIGVLPGSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(C#N)c1O ZINC000866400006 647773851 /nfs/dbraw/zinc/77/38/51/647773851.db2.gz YKJJEIKDFZXLTJ-ZBINZKHDSA-N 1 2 272.348 2.482 20 30 CEEDLO C=C(C)[C@H](CC(=O)OCCCn1cc[nH+]c1)OCC ZINC000784380893 647843936 /nfs/dbraw/zinc/84/39/36/647843936.db2.gz PDLWVJNVGAKDRQ-ZDUSSCGKSA-N 1 2 266.341 2.188 20 30 CEEDLO C=C(C)[C@H](CC(=O)OCc1cc[nH+]c(N)c1)OCC ZINC000792068945 648605294 /nfs/dbraw/zinc/60/52/94/648605294.db2.gz GYGOSVKGRVELPC-LBPRGKRZSA-N 1 2 264.325 2.078 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870133403 648710619 /nfs/dbraw/zinc/71/06/19/648710619.db2.gz WTLALRJAZVMMDV-UHFFFAOYSA-N 1 2 288.391 2.393 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+](C2CC2)C2CCCC2)c1=S ZINC000794619442 648893786 /nfs/dbraw/zinc/89/37/86/648893786.db2.gz JOLJLVDCWWRFEX-UHFFFAOYSA-N 1 2 291.424 2.382 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+](C2CC2)C2CCCC2)c1=S ZINC000794619442 648893791 /nfs/dbraw/zinc/89/37/91/648893791.db2.gz JOLJLVDCWWRFEX-UHFFFAOYSA-N 1 2 291.424 2.382 20 30 CEEDLO C[C@H]([N@H+](C)Cn1nc(CC#N)n(C)c1=S)C1(C)CC1 ZINC000794634224 648895868 /nfs/dbraw/zinc/89/58/68/648895868.db2.gz ZXUUSFMSXQEQSG-JTQLQIEISA-N 1 2 279.413 2.095 20 30 CEEDLO C[C@H]([N@@H+](C)Cn1nc(CC#N)n(C)c1=S)C1(C)CC1 ZINC000794634224 648895870 /nfs/dbraw/zinc/89/58/70/648895870.db2.gz ZXUUSFMSXQEQSG-JTQLQIEISA-N 1 2 279.413 2.095 20 30 CEEDLO C=C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)C(=O)OC ZINC000871904758 649211165 /nfs/dbraw/zinc/21/11/65/649211165.db2.gz PUBWBEDTDYMZSA-WXRRBKDZSA-N 1 2 269.385 2.430 20 30 CEEDLO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(C#N)c1O ZINC000872110242 649281254 /nfs/dbraw/zinc/28/12/54/649281254.db2.gz FMUIZWFOJZLBPJ-VXGBXAGGSA-N 1 2 288.347 2.258 20 30 CEEDLO Cc1nonc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000872136353 649288940 /nfs/dbraw/zinc/28/89/40/649288940.db2.gz MYZPQJWXFQIXLZ-AWEZNQCLSA-N 1 2 268.320 2.417 20 30 CEEDLO C[NH+](C)C1(C)CCC(=NNc2cnnc(O)c2Cl)CC1 ZINC000872339236 649360693 /nfs/dbraw/zinc/36/06/93/649360693.db2.gz DKSZPOAQZZNFSQ-UHFFFAOYSA-N 1 2 297.790 2.498 20 30 CEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2cccc(O)c2)o1 ZINC000878662023 651156435 /nfs/dbraw/zinc/15/64/35/651156435.db2.gz KJVWOYQYNRVLPW-HNNXBMFYSA-N 1 2 271.320 2.334 20 30 CEEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2O)o1 ZINC000878662067 651156620 /nfs/dbraw/zinc/15/66/20/651156620.db2.gz LIQTZGMZFNJOJY-OAHLLOKOSA-N 1 2 271.320 2.334 20 30 CEEDLO C#CCCCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000878756180 651179863 /nfs/dbraw/zinc/17/98/63/651179863.db2.gz ZGHOEAFDKXYMEX-QGZVFWFLSA-N 1 2 297.406 2.284 20 30 CEEDLO C#CCCCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000878756180 651179864 /nfs/dbraw/zinc/17/98/64/651179864.db2.gz ZGHOEAFDKXYMEX-QGZVFWFLSA-N 1 2 297.406 2.284 20 30 CEEDLO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C#N ZINC000879311769 651282031 /nfs/dbraw/zinc/28/20/31/651282031.db2.gz VBOAROBDEXDYQD-QEJZJMRPSA-N 1 2 289.335 2.252 20 30 CEEDLO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C#N ZINC000879311769 651282032 /nfs/dbraw/zinc/28/20/32/651282032.db2.gz VBOAROBDEXDYQD-QEJZJMRPSA-N 1 2 289.335 2.252 20 30 CEEDLO CO[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322266 651285279 /nfs/dbraw/zinc/28/52/79/651285279.db2.gz IYGNXLOAIIBHNK-JQWIXIFHSA-N 1 2 293.392 2.058 20 30 CEEDLO CO[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322266 651285282 /nfs/dbraw/zinc/28/52/82/651285282.db2.gz IYGNXLOAIIBHNK-JQWIXIFHSA-N 1 2 293.392 2.058 20 30 CEEDLO CC(C)c1nnc(C[N@H+](C)CCc2cccc(C#N)c2)[nH]1 ZINC000879432491 651302624 /nfs/dbraw/zinc/30/26/24/651302624.db2.gz LQCJFRCQLVNVPF-UHFFFAOYSA-N 1 2 283.379 2.474 20 30 CEEDLO CC(C)c1nnc(C[N@@H+](C)CCc2cccc(C#N)c2)[nH]1 ZINC000879432491 651302628 /nfs/dbraw/zinc/30/26/28/651302628.db2.gz LQCJFRCQLVNVPF-UHFFFAOYSA-N 1 2 283.379 2.474 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634890 651333905 /nfs/dbraw/zinc/33/39/05/651333905.db2.gz ZJEDPJHPPCPEEK-JKSUJKDBSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634890 651333907 /nfs/dbraw/zinc/33/39/07/651333907.db2.gz ZJEDPJHPPCPEEK-JKSUJKDBSA-N 1 2 277.364 2.006 20 30 CEEDLO Cc1cc(C)c(CNC(=O)Nc2cccc(CC#N)n2)c[nH+]1 ZINC000881144977 651600160 /nfs/dbraw/zinc/60/01/60/651600160.db2.gz NOYNCZOTOPSMBV-UHFFFAOYSA-N 1 2 295.346 2.481 20 30 CEEDLO Cc1cc(CNc2cc(C#N)nc(C)n2)cc(C)[nH+]1 ZINC000882469982 652086873 /nfs/dbraw/zinc/08/68/73/652086873.db2.gz XJKZOHSSJZFLNG-UHFFFAOYSA-N 1 2 253.309 2.281 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000132252429 652508213 /nfs/dbraw/zinc/50/82/13/652508213.db2.gz BHFIUBLUHGZUFS-CYBMUJFWSA-N 1 2 295.342 2.096 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@H](C2CC2)CC1=O ZINC000134745616 652871907 /nfs/dbraw/zinc/87/19/07/652871907.db2.gz CSUATLNIHJTSOX-MRXNPFEDSA-N 1 2 283.375 2.206 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@H](C2CC2)CC1=O ZINC000134745616 652871913 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296.414 2.394 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001030693230 807324233 /nfs/dbraw/zinc/32/42/33/807324233.db2.gz LHSHNMVMWWWJDF-GFCCVEGCSA-N 1 2 286.375 2.000 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001030755969 807363425 /nfs/dbraw/zinc/36/34/25/807363425.db2.gz JJUNCXAUDYYMBW-UHFFFAOYSA-N 1 2 295.386 2.222 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(F)c(C)c2)C1 ZINC001030879731 807453592 /nfs/dbraw/zinc/45/35/92/807453592.db2.gz VCBGZQDNCMSWQW-UHFFFAOYSA-N 1 2 262.328 2.124 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001030890731 807462436 /nfs/dbraw/zinc/46/24/36/807462436.db2.gz XMGPIZRCTBWIRH-UHFFFAOYSA-N 1 2 276.767 2.086 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001031023558 807591323 /nfs/dbraw/zinc/59/13/23/807591323.db2.gz CPYVUMGGYPYNDA-AWEZNQCLSA-N 1 2 272.392 2.475 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001031096127 807646718 /nfs/dbraw/zinc/64/67/18/807646718.db2.gz YAWPIJYQAGJCOH-UHFFFAOYSA-N 1 2 296.374 2.067 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(Cl)s2)C1 ZINC001031348424 807924623 /nfs/dbraw/zinc/92/46/23/807924623.db2.gz MOADHJBJONGPFL-UHFFFAOYSA-N 1 2 270.785 2.392 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000139284258 807937605 /nfs/dbraw/zinc/93/76/05/807937605.db2.gz FQQNIFXXLWZBRF-UHFFFAOYSA-N 1 2 276.405 2.146 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C23CCC(CC2)CC3)C1 ZINC001031421376 807952846 /nfs/dbraw/zinc/95/28/46/807952846.db2.gz NWCDQIMRQZIKRP-UHFFFAOYSA-N 1 2 262.397 2.333 20 30 CEEDLO CC1(C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031616752 808024592 /nfs/dbraw/zinc/02/45/92/808024592.db2.gz KZYUXJKCSQLUGY-MRXNPFEDSA-N 1 2 297.402 2.152 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)C(=O)OCC ZINC001119959722 815177607 /nfs/dbraw/zinc/17/76/07/815177607.db2.gz VDVYEZTXTGKQNC-AVGNSLFASA-N 1 2 267.369 2.041 20 30 CEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107455537 808443138 /nfs/dbraw/zinc/44/31/38/808443138.db2.gz BTUGXFFCDONKCO-ASOISWSRSA-N 1 2 288.395 2.328 20 30 CEEDLO Cc1ccc(CC[C@@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001171669605 815210533 /nfs/dbraw/zinc/21/05/33/815210533.db2.gz ANFNMOMJJVTQRM-GDBMZVCRSA-N 1 2 257.381 2.114 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(Cl)c1 ZINC001032602233 808725321 /nfs/dbraw/zinc/72/53/21/808725321.db2.gz TUOGCZVZTMKRRH-KBPBESRZSA-N 1 2 288.778 2.180 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(Cl)c1 ZINC001032602233 808725327 /nfs/dbraw/zinc/72/53/27/808725327.db2.gz TUOGCZVZTMKRRH-KBPBESRZSA-N 1 2 288.778 2.180 20 30 CEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)CC1 ZINC001032607323 808727340 /nfs/dbraw/zinc/72/73/40/808727340.db2.gz NJKWXAVHPWVOKY-HOTGVXAUSA-N 1 2 272.392 2.041 20 30 CEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)CC1 ZINC001032607323 808727344 /nfs/dbraw/zinc/72/73/44/808727344.db2.gz NJKWXAVHPWVOKY-HOTGVXAUSA-N 1 2 272.392 2.041 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001272895587 808849077 /nfs/dbraw/zinc/84/90/77/808849077.db2.gz ZPJIGBDFAXBRSC-OAHLLOKOSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001272895587 808849083 /nfs/dbraw/zinc/84/90/83/808849083.db2.gz ZPJIGBDFAXBRSC-OAHLLOKOSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108026806 808869422 /nfs/dbraw/zinc/86/94/22/808869422.db2.gz FKVPWASOJQAFSN-BBRMVZONSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108026806 808869427 /nfs/dbraw/zinc/86/94/27/808869427.db2.gz FKVPWASOJQAFSN-BBRMVZONSA-N 1 2 282.428 2.062 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC(C)C ZINC001032810456 808917600 /nfs/dbraw/zinc/91/76/00/808917600.db2.gz GQWKAQANKLLKJI-IRXDYDNUSA-N 1 2 296.414 2.417 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC(C)C ZINC001032810456 808917604 /nfs/dbraw/zinc/91/76/04/808917604.db2.gz GQWKAQANKLLKJI-IRXDYDNUSA-N 1 2 296.414 2.417 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001108037680 808944324 /nfs/dbraw/zinc/94/43/24/808944324.db2.gz GYODZPAOTDDDEQ-WMLDXEAASA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001108037680 808944329 /nfs/dbraw/zinc/94/43/29/808944329.db2.gz GYODZPAOTDDDEQ-WMLDXEAASA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@@H+]([C@H](C)C(=O)OCCCC)[C@@H](C)COC ZINC001171917272 815250166 /nfs/dbraw/zinc/25/01/66/815250166.db2.gz VSYJDAMNXYPMRY-QWHCGFSZSA-N 1 2 257.374 2.241 20 30 CEEDLO C=CC[N@H+]([C@H](C)C(=O)OCCCC)[C@@H](C)COC ZINC001171917272 815250169 /nfs/dbraw/zinc/25/01/69/815250169.db2.gz VSYJDAMNXYPMRY-QWHCGFSZSA-N 1 2 257.374 2.241 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2=CCCC2)C1 ZINC001033004088 809142228 /nfs/dbraw/zinc/14/22/28/809142228.db2.gz IRMZZABUFPSLFP-CYBMUJFWSA-N 1 2 268.788 2.382 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2=CCCC2)C1 ZINC001033004088 809142232 /nfs/dbraw/zinc/14/22/32/809142232.db2.gz IRMZZABUFPSLFP-CYBMUJFWSA-N 1 2 268.788 2.382 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001033006925 809143061 /nfs/dbraw/zinc/14/30/61/809143061.db2.gz AFGAKMIJCGAWJI-UONOGXRCSA-N 1 2 295.814 2.334 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001033006925 809143064 /nfs/dbraw/zinc/14/30/64/809143064.db2.gz AFGAKMIJCGAWJI-UONOGXRCSA-N 1 2 295.814 2.334 20 30 CEEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CC[NH2+]C[C@H]1C#N ZINC001171971770 815265402 /nfs/dbraw/zinc/26/54/02/815265402.db2.gz ZHPSTQRAMXUEBU-SMDDNHRTSA-N 1 2 297.324 2.434 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001033033638 809153317 /nfs/dbraw/zinc/15/33/17/809153317.db2.gz SJHGIGAVXLOTLH-LLVKDONJSA-N 1 2 299.827 2.350 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001033033638 809153319 /nfs/dbraw/zinc/15/33/19/809153319.db2.gz SJHGIGAVXLOTLH-LLVKDONJSA-N 1 2 299.827 2.350 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001033360155 809282503 /nfs/dbraw/zinc/28/25/03/809282503.db2.gz GYRCDDLJPGNAEM-NSHDSACASA-N 1 2 299.827 2.350 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001033360155 809282505 /nfs/dbraw/zinc/28/25/05/809282505.db2.gz GYRCDDLJPGNAEM-NSHDSACASA-N 1 2 299.827 2.350 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(Cl)cncc2Cl)CC1 ZINC001137609693 809337337 /nfs/dbraw/zinc/33/73/37/809337337.db2.gz VXKXPYBJBBGRFZ-UHFFFAOYSA-N 1 2 284.190 2.139 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(C)c2)C1 ZINC001033788708 809417539 /nfs/dbraw/zinc/41/75/39/809417539.db2.gz JGEXNRRRBFLZAG-AWEZNQCLSA-N 1 2 295.814 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(C)c2)C1 ZINC001033788708 809417543 /nfs/dbraw/zinc/41/75/43/809417543.db2.gz JGEXNRRRBFLZAG-AWEZNQCLSA-N 1 2 295.814 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cscn2)C1 ZINC001034127572 809525031 /nfs/dbraw/zinc/52/50/31/809525031.db2.gz LHUBMLJOBQPWRI-LLVKDONJSA-N 1 2 299.827 2.480 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cscn2)C1 ZINC001034127572 809525035 /nfs/dbraw/zinc/52/50/35/809525035.db2.gz LHUBMLJOBQPWRI-LLVKDONJSA-N 1 2 299.827 2.480 20 30 CEEDLO C=CCCCC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001129109208 809762444 /nfs/dbraw/zinc/76/24/44/809762444.db2.gz WCFONJOMNGQDPS-UHFFFAOYSA-N 1 2 298.346 2.266 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001035321593 809776760 /nfs/dbraw/zinc/77/67/60/809776760.db2.gz AQSRDCKYZWQZCV-ZDUSSCGKSA-N 1 2 294.439 2.062 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001035321593 809776763 /nfs/dbraw/zinc/77/67/63/809776763.db2.gz AQSRDCKYZWQZCV-ZDUSSCGKSA-N 1 2 294.439 2.062 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001079420013 810208990 /nfs/dbraw/zinc/20/89/90/810208990.db2.gz HMLLTUFDDMZNFW-QMTHXVAHSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001079420013 810208991 /nfs/dbraw/zinc/20/89/91/810208991.db2.gz HMLLTUFDDMZNFW-QMTHXVAHSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001080297677 810265116 /nfs/dbraw/zinc/26/51/16/810265116.db2.gz ITDWCBYKQNHXJV-QKGWFMCXSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001080297677 810265117 /nfs/dbraw/zinc/26/51/17/810265117.db2.gz ITDWCBYKQNHXJV-QKGWFMCXSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001015341894 810280204 /nfs/dbraw/zinc/28/02/04/810280204.db2.gz NMEGETOSJJWWCA-MBNYWOFBSA-N 1 2 268.788 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001015341894 810280209 /nfs/dbraw/zinc/28/02/09/810280209.db2.gz NMEGETOSJJWWCA-MBNYWOFBSA-N 1 2 268.788 2.120 20 30 CEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)C2)cc1 ZINC001015476620 810294523 /nfs/dbraw/zinc/29/45/23/810294523.db2.gz OAFVACPDKIWTSN-OAHLLOKOSA-N 1 2 288.778 2.225 20 30 CEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C2)cc1 ZINC001015476620 810294529 /nfs/dbraw/zinc/29/45/29/810294529.db2.gz OAFVACPDKIWTSN-OAHLLOKOSA-N 1 2 288.778 2.225 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cncnc2C1 ZINC001172309553 815365387 /nfs/dbraw/zinc/36/53/87/815365387.db2.gz UYVADRQIGSJRSO-GFCCVEGCSA-N 1 2 264.332 2.295 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cncnc2C1 ZINC001172309553 815365391 /nfs/dbraw/zinc/36/53/91/815365391.db2.gz UYVADRQIGSJRSO-GFCCVEGCSA-N 1 2 264.332 2.295 20 30 CEEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C(F)F)C1 ZINC001016122723 810399408 /nfs/dbraw/zinc/39/94/08/810399408.db2.gz HYWMDHKCAGNQDD-VIFPVBQESA-N 1 2 284.331 2.123 20 30 CEEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C(F)F)C1 ZINC001016122723 810399414 /nfs/dbraw/zinc/39/94/14/810399414.db2.gz HYWMDHKCAGNQDD-VIFPVBQESA-N 1 2 284.331 2.123 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001016189380 810410723 /nfs/dbraw/zinc/41/07/23/810410723.db2.gz YFDOTBOGTAZFGW-AWEZNQCLSA-N 1 2 296.773 2.311 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001016189380 810410726 /nfs/dbraw/zinc/41/07/26/810410726.db2.gz YFDOTBOGTAZFGW-AWEZNQCLSA-N 1 2 296.773 2.311 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001017312289 810510033 /nfs/dbraw/zinc/51/00/33/810510033.db2.gz KWDDPFJCGYYYRW-IYBDPMFKSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001017312289 810510040 /nfs/dbraw/zinc/51/00/40/810510040.db2.gz KWDDPFJCGYYYRW-IYBDPMFKSA-N 1 2 274.408 2.265 20 30 CEEDLO C=C(Br)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000381562567 810525909 /nfs/dbraw/zinc/52/59/09/810525909.db2.gz RVRPDOVVGYBKEO-UHFFFAOYSA-N 1 2 282.185 2.406 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001017764266 810551068 /nfs/dbraw/zinc/55/10/68/810551068.db2.gz LSMDDGFBXYCSOX-NUALHRCUSA-N 1 2 286.419 2.121 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001017764266 810551073 /nfs/dbraw/zinc/55/10/73/810551073.db2.gz LSMDDGFBXYCSOX-NUALHRCUSA-N 1 2 286.419 2.121 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001017801466 810554634 /nfs/dbraw/zinc/55/46/34/810554634.db2.gz ZVJDQCWYIZTEAO-OAGGEKHMSA-N 1 2 272.392 2.041 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001017801466 810554643 /nfs/dbraw/zinc/55/46/43/810554643.db2.gz ZVJDQCWYIZTEAO-OAGGEKHMSA-N 1 2 272.392 2.041 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001017887370 810566442 /nfs/dbraw/zinc/56/64/42/810566442.db2.gz YZBPYLUOOGQQSZ-GASCZTMLSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001017887370 810566444 /nfs/dbraw/zinc/56/64/44/810566444.db2.gz YZBPYLUOOGQQSZ-GASCZTMLSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1 ZINC001018200561 810595495 /nfs/dbraw/zinc/59/54/95/810595495.db2.gz IYGLWSIBMLZCOU-GASCZTMLSA-N 1 2 288.778 2.262 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1 ZINC001018200561 810595498 /nfs/dbraw/zinc/59/54/98/810595498.db2.gz IYGLWSIBMLZCOU-GASCZTMLSA-N 1 2 288.778 2.262 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1 ZINC001018210886 810597176 /nfs/dbraw/zinc/59/71/76/810597176.db2.gz RIYPGNZRKKSVKB-IYBDPMFKSA-N 1 2 298.386 2.007 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1 ZINC001018210886 810597179 /nfs/dbraw/zinc/59/71/79/810597179.db2.gz RIYPGNZRKKSVKB-IYBDPMFKSA-N 1 2 298.386 2.007 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018229863 810598557 /nfs/dbraw/zinc/59/85/57/810598557.db2.gz NIVMLZHZDUNSRN-IYBDPMFKSA-N 1 2 282.387 2.225 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018229863 810598559 /nfs/dbraw/zinc/59/85/59/810598559.db2.gz NIVMLZHZDUNSRN-IYBDPMFKSA-N 1 2 282.387 2.225 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccccc12 ZINC001018339571 810605099 /nfs/dbraw/zinc/60/50/99/810605099.db2.gz SZEVXLXJJFBELR-OKILXGFUSA-N 1 2 294.354 2.355 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2ccccc12 ZINC001018339571 810605104 /nfs/dbraw/zinc/60/51/04/810605104.db2.gz SZEVXLXJJFBELR-OKILXGFUSA-N 1 2 294.354 2.355 20 30 CEEDLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172298281 815387946 /nfs/dbraw/zinc/38/79/46/815387946.db2.gz VUPSLFNXEUEPIM-IUODEOHRSA-N 1 2 274.364 2.421 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001085460532 810770228 /nfs/dbraw/zinc/77/02/28/810770228.db2.gz KCZZGMGGTOSSFX-ZDUSSCGKSA-N 1 2 276.405 2.226 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001085460532 810770234 /nfs/dbraw/zinc/77/02/34/810770234.db2.gz KCZZGMGGTOSSFX-ZDUSSCGKSA-N 1 2 276.405 2.226 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085487675 810788891 /nfs/dbraw/zinc/78/88/91/810788891.db2.gz GAKLFUROKORCNV-LLVKDONJSA-N 1 2 280.755 2.103 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085487675 810788898 /nfs/dbraw/zinc/78/88/98/810788898.db2.gz GAKLFUROKORCNV-LLVKDONJSA-N 1 2 280.755 2.103 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001085631134 810859084 /nfs/dbraw/zinc/85/90/84/810859084.db2.gz NFJXEUAEMBIQTO-NSHDSACASA-N 1 2 279.409 2.038 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001085631134 810859088 /nfs/dbraw/zinc/85/90/88/810859088.db2.gz NFJXEUAEMBIQTO-NSHDSACASA-N 1 2 279.409 2.038 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(Cl)cc1C ZINC001038583351 810868008 /nfs/dbraw/zinc/86/80/08/810868008.db2.gz LWYIXVFWACRAJV-ZDUSSCGKSA-N 1 2 290.794 2.394 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(Cl)cc1C ZINC001038583351 810868016 /nfs/dbraw/zinc/86/80/16/810868016.db2.gz LWYIXVFWACRAJV-ZDUSSCGKSA-N 1 2 290.794 2.394 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001038626109 810874846 /nfs/dbraw/zinc/87/48/46/810874846.db2.gz ANWDLNUPXZPXGS-CYBMUJFWSA-N 1 2 274.364 2.230 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001038626109 810874854 /nfs/dbraw/zinc/87/48/54/810874854.db2.gz ANWDLNUPXZPXGS-CYBMUJFWSA-N 1 2 274.364 2.230 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1OC1CCC1 ZINC001038676448 810888352 /nfs/dbraw/zinc/88/83/52/810888352.db2.gz KBSIKPSMFWAAFR-AWEZNQCLSA-N 1 2 298.386 2.055 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1OC1CCC1 ZINC001038676448 810888358 /nfs/dbraw/zinc/88/83/58/810888358.db2.gz KBSIKPSMFWAAFR-AWEZNQCLSA-N 1 2 298.386 2.055 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085855608 810945844 /nfs/dbraw/zinc/94/58/44/810945844.db2.gz DMKVLBRNYUSTIT-LLVKDONJSA-N 1 2 282.796 2.181 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085855608 810945850 /nfs/dbraw/zinc/94/58/50/810945850.db2.gz DMKVLBRNYUSTIT-LLVKDONJSA-N 1 2 282.796 2.181 20 30 CEEDLO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001038978671 810962208 /nfs/dbraw/zinc/96/22/08/810962208.db2.gz GMIJHNNBUSMIBC-ZDUSSCGKSA-N 1 2 298.390 2.333 20 30 CEEDLO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001038978671 810962212 /nfs/dbraw/zinc/96/22/12/810962212.db2.gz GMIJHNNBUSMIBC-ZDUSSCGKSA-N 1 2 298.390 2.333 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc2c1CCCC2 ZINC001038994230 810964529 /nfs/dbraw/zinc/96/45/29/810964529.db2.gz YIMUOPHCVVCUMZ-LBPRGKRZSA-N 1 2 288.416 2.064 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc2c1CCCC2 ZINC001038994230 810964537 /nfs/dbraw/zinc/96/45/37/810964537.db2.gz YIMUOPHCVVCUMZ-LBPRGKRZSA-N 1 2 288.416 2.064 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001038998501 810966510 /nfs/dbraw/zinc/96/65/10/810966510.db2.gz HFQGQSJWHYGYJU-CYBMUJFWSA-N 1 2 276.405 2.192 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001038998501 810966515 /nfs/dbraw/zinc/96/65/15/810966515.db2.gz HFQGQSJWHYGYJU-CYBMUJFWSA-N 1 2 276.405 2.192 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001039047761 810976167 /nfs/dbraw/zinc/97/61/67/810976167.db2.gz BNCXIQJRTPJRRG-CQSZACIVSA-N 1 2 296.370 2.487 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001039047761 810976175 /nfs/dbraw/zinc/97/61/75/810976175.db2.gz BNCXIQJRTPJRRG-CQSZACIVSA-N 1 2 296.370 2.487 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ncsc2c1 ZINC001085957400 810982952 /nfs/dbraw/zinc/98/29/52/810982952.db2.gz AONHFGLUEHBKFW-CYBMUJFWSA-N 1 2 299.399 2.076 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ncsc2c1 ZINC001085957400 810982956 /nfs/dbraw/zinc/98/29/56/810982956.db2.gz AONHFGLUEHBKFW-CYBMUJFWSA-N 1 2 299.399 2.076 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085962714 810984329 /nfs/dbraw/zinc/98/43/29/810984329.db2.gz NUCOJXBREBDASR-CYBMUJFWSA-N 1 2 276.405 2.144 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085962714 810984336 /nfs/dbraw/zinc/98/43/36/810984336.db2.gz NUCOJXBREBDASR-CYBMUJFWSA-N 1 2 276.405 2.144 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H](C)CC)C1 ZINC001108297300 811214055 /nfs/dbraw/zinc/21/40/55/811214055.db2.gz BTHDPBNSEFWZOV-ZBFHGGJFSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H](C)CC)C1 ZINC001108297300 811214062 /nfs/dbraw/zinc/21/40/62/811214062.db2.gz BTHDPBNSEFWZOV-ZBFHGGJFSA-N 1 2 282.428 2.206 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001108329924 811225508 /nfs/dbraw/zinc/22/55/08/811225508.db2.gz YSQUAPBQRMBERY-KRWDZBQOSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001108329924 811225514 /nfs/dbraw/zinc/22/55/14/811225514.db2.gz YSQUAPBQRMBERY-KRWDZBQOSA-N 1 2 296.455 2.452 20 30 CEEDLO C[C@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)n1cc[nH+]c1 ZINC001122652828 815434902 /nfs/dbraw/zinc/43/49/02/815434902.db2.gz NWGQWKSYCZYORM-MNOVXSKESA-N 1 2 272.283 2.245 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc3sccc32)C1 ZINC001043621029 811393088 /nfs/dbraw/zinc/39/30/88/811393088.db2.gz FOZYAVHQOHNWPD-UHFFFAOYSA-N 1 2 299.399 2.076 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3ncccc3c2)C1 ZINC001043732716 811400279 /nfs/dbraw/zinc/40/02/79/811400279.db2.gz JEDUOWLDWZSJAW-UHFFFAOYSA-N 1 2 293.370 2.014 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001043733850 811401105 /nfs/dbraw/zinc/40/11/05/811401105.db2.gz UPMVUZIDHVVRQN-UHFFFAOYSA-N 1 2 290.794 2.428 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001044006615 811427119 /nfs/dbraw/zinc/42/71/19/811427119.db2.gz SKWGRMUXAOFCLJ-UHFFFAOYSA-N 1 2 297.402 2.347 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001044026429 811428922 /nfs/dbraw/zinc/42/89/22/811428922.db2.gz DQWGADRZEQHWHX-ZIAGYGMSSA-N 1 2 290.432 2.489 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC001044125163 811441535 /nfs/dbraw/zinc/44/15/35/811441535.db2.gz WVUXDCPZMPFKLF-HKUYNNGSSA-N 1 2 296.414 2.219 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001044212534 811453897 /nfs/dbraw/zinc/45/38/97/811453897.db2.gz JCVPJNZDQWBPCY-UHFFFAOYSA-N 1 2 276.355 2.466 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001044277229 811463937 /nfs/dbraw/zinc/46/39/37/811463937.db2.gz RGCFJKDLVWHTFA-UHFFFAOYSA-N 1 2 284.403 2.130 20 30 CEEDLO Cc1ccnc(C#N)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212667227 815449929 /nfs/dbraw/zinc/44/99/29/815449929.db2.gz HZCSFDQKLKKGQH-UHFFFAOYSA-N 1 2 294.358 2.182 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2ccc3ccccc32)C1 ZINC001044313769 811468896 /nfs/dbraw/zinc/46/88/96/811468896.db2.gz LFKSOQIEWMPQNL-UHFFFAOYSA-N 1 2 297.402 2.360 20 30 CEEDLO O=C(C=CNc1ccn2cc[nH+]c2c1)C(F)(F)F ZINC001169476168 811540431 /nfs/dbraw/zinc/54/04/31/811540431.db2.gz ZBTKTYSGUJZHMN-HNQUOIGGSA-N 1 2 255.199 2.391 20 30 CEEDLO C[C@@H](CCCC#N)[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001172500739 815455847 /nfs/dbraw/zinc/45/58/47/815455847.db2.gz OKPXKAAPHIEKJD-VHSXEESVSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H](CCCC#N)[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001172500739 815455848 /nfs/dbraw/zinc/45/58/48/815455848.db2.gz OKPXKAAPHIEKJD-VHSXEESVSA-N 1 2 250.264 2.332 20 30 CEEDLO N#Cc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)ccc1O ZINC001212670455 815463631 /nfs/dbraw/zinc/46/36/31/815463631.db2.gz YBRXGDCEGXOKHW-UHFFFAOYSA-N 1 2 295.342 2.184 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c(C)noc2C)C1 ZINC001046129310 811691457 /nfs/dbraw/zinc/69/14/57/811691457.db2.gz DYEQCCYRGDVVRE-CQSZACIVSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c(C)noc2C)C1 ZINC001046129310 811691460 /nfs/dbraw/zinc/69/14/60/811691460.db2.gz DYEQCCYRGDVVRE-CQSZACIVSA-N 1 2 297.786 2.238 20 30 CEEDLO CCC(C#N)(CC)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169872635 811699546 /nfs/dbraw/zinc/69/95/46/811699546.db2.gz BOJZKTBPPKWVHQ-UHFFFAOYSA-N 1 2 272.414 2.014 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CC(F)(F)C2)C1 ZINC001046228668 811716368 /nfs/dbraw/zinc/71/63/68/811716368.db2.gz HFBZCQYBSMOHJT-LBPRGKRZSA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CC(F)(F)C2)C1 ZINC001046228668 811716371 /nfs/dbraw/zinc/71/63/71/811716371.db2.gz HFBZCQYBSMOHJT-LBPRGKRZSA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(F)cn2)C1 ZINC001046257038 811724168 /nfs/dbraw/zinc/72/41/68/811724168.db2.gz AFTPPNGRXLIWJW-CQSZACIVSA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(F)cn2)C1 ZINC001046257038 811724175 /nfs/dbraw/zinc/72/41/75/811724175.db2.gz AFTPPNGRXLIWJW-CQSZACIVSA-N 1 2 297.761 2.167 20 30 CEEDLO C=CCCC(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001108858946 811779924 /nfs/dbraw/zinc/77/99/24/811779924.db2.gz FFWMLVVKDVOZTQ-NSHDSACASA-N 1 2 290.411 2.309 20 30 CEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001109055161 811817664 /nfs/dbraw/zinc/81/76/64/811817664.db2.gz QYAFMBBRJIVNJH-IPYPFGDCSA-N 1 2 289.379 2.171 20 30 CEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001109055161 811817673 /nfs/dbraw/zinc/81/76/73/811817673.db2.gz QYAFMBBRJIVNJH-IPYPFGDCSA-N 1 2 289.379 2.171 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109184385 811832985 /nfs/dbraw/zinc/83/29/85/811832985.db2.gz YCXDCJPZSYRKBI-STQMWFEESA-N 1 2 290.411 2.328 20 30 CEEDLO C=CC[C@@](C)([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC ZINC001169988437 811843867 /nfs/dbraw/zinc/84/38/67/811843867.db2.gz VHCGRCKEANQYQQ-MRXNPFEDSA-N 1 2 298.427 2.495 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109219765 811845873 /nfs/dbraw/zinc/84/58/73/811845873.db2.gz PEIGZMDZHHNAKV-MLGOLLRUSA-N 1 2 290.411 2.328 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccco1)C2 ZINC001096214313 811881924 /nfs/dbraw/zinc/88/19/24/811881924.db2.gz TUHHVFCBCPPFLW-XBFCOCLRSA-N 1 2 294.782 2.296 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccco1)C2 ZINC001096214313 811881932 /nfs/dbraw/zinc/88/19/32/811881932.db2.gz TUHHVFCBCPPFLW-XBFCOCLRSA-N 1 2 294.782 2.296 20 30 CEEDLO C#CCCCCC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109408755 811883390 /nfs/dbraw/zinc/88/33/90/811883390.db2.gz UAGFOMPUWOHTMU-UHFFFAOYSA-N 1 2 288.395 2.239 20 30 CEEDLO C=CCCCCC[NH+]1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001112699062 812044515 /nfs/dbraw/zinc/04/45/15/812044515.db2.gz SJRRNXANAJVERR-UHFFFAOYSA-N 1 2 290.411 2.222 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001112711115 812047899 /nfs/dbraw/zinc/04/78/99/812047899.db2.gz QGMZNWWWQFRAAW-NSHDSACASA-N 1 2 291.317 2.023 20 30 CEEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112896304 812102790 /nfs/dbraw/zinc/10/27/90/812102790.db2.gz QKCDYVDIWPGPJE-UHFFFAOYSA-N 1 2 296.455 2.406 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001113194250 812179032 /nfs/dbraw/zinc/17/90/32/812179032.db2.gz WRLQTTWXQNBYNP-UHFFFAOYSA-N 1 2 294.439 2.160 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001096717828 812267189 /nfs/dbraw/zinc/26/71/89/812267189.db2.gz CMDOCAJOCMFPKY-UPJWGTAASA-N 1 2 268.788 2.261 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001096717828 812267192 /nfs/dbraw/zinc/26/71/92/812267192.db2.gz CMDOCAJOCMFPKY-UPJWGTAASA-N 1 2 268.788 2.261 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1)C2 ZINC001096723644 812267245 /nfs/dbraw/zinc/26/72/45/812267245.db2.gz PCXWQPSJGOBWMK-MCIONIFRSA-N 1 2 291.782 2.169 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1)C2 ZINC001096723644 812267248 /nfs/dbraw/zinc/26/72/48/812267248.db2.gz PCXWQPSJGOBWMK-MCIONIFRSA-N 1 2 291.782 2.169 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCCCCC)CC1 ZINC001113602177 812286925 /nfs/dbraw/zinc/28/69/25/812286925.db2.gz GSGLJCNKEKYGKP-UHFFFAOYSA-N 1 2 250.386 2.124 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113821677 812364649 /nfs/dbraw/zinc/36/46/49/812364649.db2.gz GHABNDHKIWSVED-OCCSQVGLSA-N 1 2 290.411 2.328 20 30 CEEDLO C[C@H](Cc1ccccc1Cl)N1CC[NH2+]C[C@@H]1C#N ZINC001170276450 812370003 /nfs/dbraw/zinc/37/00/03/812370003.db2.gz NPQSFLOBIOMBGK-YPMHNXCESA-N 1 2 263.772 2.068 20 30 CEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCCCC1)O2 ZINC001053556961 812507301 /nfs/dbraw/zinc/50/73/01/812507301.db2.gz WJKZXJPDPGJIIW-OAHLLOKOSA-N 1 2 292.423 2.102 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@]34C[C@H]3CCC4)cc2C1 ZINC001054274992 812557061 /nfs/dbraw/zinc/55/70/61/812557061.db2.gz XZJAXQHYLKWTHT-IEBWSBKVSA-N 1 2 294.398 2.442 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@]34C[C@H]3CCC4)cc2C1 ZINC001054274992 812557067 /nfs/dbraw/zinc/55/70/67/812557067.db2.gz XZJAXQHYLKWTHT-IEBWSBKVSA-N 1 2 294.398 2.442 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CSC)CC[C@H]1C ZINC001131779315 812726978 /nfs/dbraw/zinc/72/69/78/812726978.db2.gz CNMKFDFVQNOVSV-GHMZBOCLSA-N 1 2 276.833 2.071 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CSC)CC[C@H]1C ZINC001131779315 812726984 /nfs/dbraw/zinc/72/69/84/812726984.db2.gz CNMKFDFVQNOVSV-GHMZBOCLSA-N 1 2 276.833 2.071 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCF)CC[C@@H]1C ZINC001132231558 812808374 /nfs/dbraw/zinc/80/83/74/812808374.db2.gz IFNQJJCHKPVOMG-NWDGAFQWSA-N 1 2 276.783 2.458 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCF)CC[C@@H]1C ZINC001132231558 812808385 /nfs/dbraw/zinc/80/83/85/812808385.db2.gz IFNQJJCHKPVOMG-NWDGAFQWSA-N 1 2 276.783 2.458 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001255173037 812834911 /nfs/dbraw/zinc/83/49/11/812834911.db2.gz VVZDUUIWFGBFAE-UONOGXRCSA-N 1 2 263.385 2.156 20 30 CEEDLO CC[C@@H](CC#N)[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001255173037 812834918 /nfs/dbraw/zinc/83/49/18/812834918.db2.gz VVZDUUIWFGBFAE-UONOGXRCSA-N 1 2 263.385 2.156 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001051104066 812880658 /nfs/dbraw/zinc/88/06/58/812880658.db2.gz LQRCWXPUVKMMCW-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001051104066 812880667 /nfs/dbraw/zinc/88/06/67/812880667.db2.gz LQRCWXPUVKMMCW-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001051078414 812881963 /nfs/dbraw/zinc/88/19/63/812881963.db2.gz UMRQRAJCJMZIDM-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001051078414 812881973 /nfs/dbraw/zinc/88/19/73/812881973.db2.gz UMRQRAJCJMZIDM-LSDHHAIUSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132667941 812921775 /nfs/dbraw/zinc/92/17/75/812921775.db2.gz XGTOHSUVMIBKBZ-LBPRGKRZSA-N 1 2 294.399 2.001 20 30 CEEDLO C=CCCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123909069 815571768 /nfs/dbraw/zinc/57/17/68/815571768.db2.gz WLKHIQDBOKQWCD-CYBMUJFWSA-N 1 2 288.395 2.400 20 30 CEEDLO C=CC(C)(C)CC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001158887248 813109651 /nfs/dbraw/zinc/10/96/51/813109651.db2.gz TVQFJENIBMYIFO-LLVKDONJSA-N 1 2 294.399 2.137 20 30 CEEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC001133569821 813109815 /nfs/dbraw/zinc/10/98/15/813109815.db2.gz DTKMBITYEVORBQ-LBPRGKRZSA-N 1 2 277.368 2.106 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)CC[C@@H]1C ZINC001071363903 813378482 /nfs/dbraw/zinc/37/84/82/813378482.db2.gz SNCWSAOHXHILAQ-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)CC[C@@H]1C ZINC001071363903 813378488 /nfs/dbraw/zinc/37/84/88/813378488.db2.gz SNCWSAOHXHILAQ-RYUDHWBXSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc[nH]c2)CC[C@H]1C ZINC001071527064 813430148 /nfs/dbraw/zinc/43/01/48/813430148.db2.gz XMZNLNRDBUPOMW-DGCLKSJQSA-N 1 2 281.787 2.350 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc[nH]c2)CC[C@H]1C ZINC001071527064 813430155 /nfs/dbraw/zinc/43/01/55/813430155.db2.gz XMZNLNRDBUPOMW-DGCLKSJQSA-N 1 2 281.787 2.350 20 30 CEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)CC[C@@H]1C ZINC001072041333 813537116 /nfs/dbraw/zinc/53/71/16/813537116.db2.gz WXKUKXLMWKDCSS-QWHCGFSZSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)CC[C@@H]1C ZINC001072041333 813537121 /nfs/dbraw/zinc/53/71/21/813537121.db2.gz WXKUKXLMWKDCSS-QWHCGFSZSA-N 1 2 298.390 2.332 20 30 CEEDLO CCOC(=O)/C=C/c1ccc[nH+]c1NCCCS ZINC001159865776 813688351 /nfs/dbraw/zinc/68/83/51/813688351.db2.gz LXNOUWBEDSGNLR-VOTSOKGWSA-N 1 2 266.366 2.390 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001074331265 813827081 /nfs/dbraw/zinc/82/70/81/813827081.db2.gz FGBCSTYAMWVYED-GJZGRUSLSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001074331265 813827093 /nfs/dbraw/zinc/82/70/93/813827093.db2.gz FGBCSTYAMWVYED-GJZGRUSLSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C(=O)Nc1cccc2[nH+]ccn21)C(F)(F)F ZINC001144199861 813984978 /nfs/dbraw/zinc/98/49/78/813984978.db2.gz BVZSZRSMEKPCDZ-UHFFFAOYSA-N 1 2 255.199 2.391 20 30 CEEDLO C=CC[NH+]1CCN(Cc2nc(C)c(C)s2)CC1 ZINC001144367890 814044040 /nfs/dbraw/zinc/04/40/40/814044040.db2.gz WXXXABJLAISXMI-UHFFFAOYSA-N 1 2 251.399 2.064 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CC2Cc3ccccc3C2)CC1 ZINC001146802422 814327628 /nfs/dbraw/zinc/32/76/28/814327628.db2.gz FSZUOZRDIBRIER-UHFFFAOYSA-N 1 2 284.403 2.122 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001102857938 814436858 /nfs/dbraw/zinc/43/68/58/814436858.db2.gz KHHOVTWUJIAYSF-CQSZACIVSA-N 1 2 288.395 2.226 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103261573 814480424 /nfs/dbraw/zinc/48/04/24/814480424.db2.gz PTEHCUGAIJQSLM-LBPRGKRZSA-N 1 2 276.384 2.304 20 30 CEEDLO COc1cccc2c1C[C@H]([N@@H+]1CC[C@](C)(C#N)C1)CO2 ZINC001173168413 815619927 /nfs/dbraw/zinc/61/99/27/815619927.db2.gz PEBORWUKLAONSE-BLLLJJGKSA-N 1 2 272.348 2.234 20 30 CEEDLO COc1cccc2c1C[C@H]([N@H+]1CC[C@](C)(C#N)C1)CO2 ZINC001173168413 815619932 /nfs/dbraw/zinc/61/99/32/815619932.db2.gz PEBORWUKLAONSE-BLLLJJGKSA-N 1 2 272.348 2.234 20 30 CEEDLO C=CCOc1ccc(C(=O)NCCc2[nH]cc(C)[nH+]2)cc1 ZINC001148463965 814565348 /nfs/dbraw/zinc/56/53/48/814565348.db2.gz RVMUXNWUCBXRIY-UHFFFAOYSA-N 1 2 285.347 2.255 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104177209 814576074 /nfs/dbraw/zinc/57/60/74/814576074.db2.gz OXCPUMSOQSBIJQ-NSHDSACASA-N 1 2 276.384 2.161 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2Cl)nc1 ZINC000780556248 814583585 /nfs/dbraw/zinc/58/35/85/814583585.db2.gz VNINLEDDENVZBL-UHFFFAOYSA-N 1 2 258.712 2.291 20 30 CEEDLO C=CCCCC(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001092258535 814699482 /nfs/dbraw/zinc/69/94/82/814699482.db2.gz NVPJPUCLWYSYHC-UHFFFAOYSA-N 1 2 288.395 2.448 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001138556366 815828283 /nfs/dbraw/zinc/82/82/83/815828283.db2.gz RUSCTEZZKJBGIG-HNNXBMFYSA-N 1 2 275.323 2.202 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001138556366 815828290 /nfs/dbraw/zinc/82/82/90/815828290.db2.gz RUSCTEZZKJBGIG-HNNXBMFYSA-N 1 2 275.323 2.202 20 30 CEEDLO N#C[C@@H]1C[C@H](F)CN1Cc1c[nH+]cn1Cc1ccccc1 ZINC001138564833 815829272 /nfs/dbraw/zinc/82/92/72/815829272.db2.gz IGSMBVRFICSLFE-GJZGRUSLSA-N 1 2 284.338 2.367 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(C)cccc2Cl)CC1 ZINC001138722699 815879216 /nfs/dbraw/zinc/87/92/16/815879216.db2.gz ZTXGQNXIHTZPBR-UHFFFAOYSA-N 1 2 262.784 2.399 20 30 CEEDLO C#Cc1cc(Nc2ccc(NC(C)=O)cc2)cc[nH+]1 ZINC001173973755 815881561 /nfs/dbraw/zinc/88/15/61/815881561.db2.gz YPHMGFOXKIEJSQ-UHFFFAOYSA-N 1 2 251.289 2.187 20 30 CEEDLO C#Cc1cc(Nc2ccc(C(=O)NC(C)C)cc2)cc[nH+]1 ZINC001174147150 815926082 /nfs/dbraw/zinc/92/60/82/815926082.db2.gz HJVFJNYEKZDMKV-UHFFFAOYSA-N 1 2 279.343 2.367 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001139029393 815946307 /nfs/dbraw/zinc/94/63/07/815946307.db2.gz WMQGBKSGNMSZGB-DZGCQCFKSA-N 1 2 265.328 2.420 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001139029393 815946310 /nfs/dbraw/zinc/94/63/10/815946310.db2.gz WMQGBKSGNMSZGB-DZGCQCFKSA-N 1 2 265.328 2.420 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001139030662 815948444 /nfs/dbraw/zinc/94/84/44/815948444.db2.gz ROGSAGHCZYQUCX-GJZGRUSLSA-N 1 2 258.365 2.140 20 30 CEEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139702890 816088805 /nfs/dbraw/zinc/08/88/05/816088805.db2.gz BZFCBXNHDSKXHT-SNVBAGLBSA-N 1 2 271.320 2.033 20 30 CEEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139702890 816088809 /nfs/dbraw/zinc/08/88/09/816088809.db2.gz BZFCBXNHDSKXHT-SNVBAGLBSA-N 1 2 271.320 2.033 20 30 CEEDLO Cc1ccc(CN2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)cc1C#N ZINC001139728895 816096130 /nfs/dbraw/zinc/09/61/30/816096130.db2.gz KCCMRULTGXYRMY-HUUCEWRRSA-N 1 2 299.418 2.160 20 30 CEEDLO Cc1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)cc1C#N ZINC001139728895 816096137 /nfs/dbraw/zinc/09/61/37/816096137.db2.gz KCCMRULTGXYRMY-HUUCEWRRSA-N 1 2 299.418 2.160 20 30 CEEDLO N#Cc1cc(O)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977725 816111397 /nfs/dbraw/zinc/11/13/97/816111397.db2.gz OEQUGYFQQGZPJL-UHFFFAOYSA-N 1 2 296.330 2.239 20 30 CEEDLO C[N@@H+]1CCC=C(N=c2[nH]c3ncccc3cc2C#N)C1 ZINC001175574578 816238790 /nfs/dbraw/zinc/23/87/90/816238790.db2.gz ZXBMVYVYPDECAS-UHFFFAOYSA-N 1 2 265.320 2.133 20 30 CEEDLO C[N@H+]1CCC=C(N=c2[nH]c3ncccc3cc2C#N)C1 ZINC001175574578 816238794 /nfs/dbraw/zinc/23/87/94/816238794.db2.gz ZXBMVYVYPDECAS-UHFFFAOYSA-N 1 2 265.320 2.133 20 30 CEEDLO C[N@@H+]1CCCC(=Nc2nc3ncccc3cc2C#N)C1 ZINC001175574578 816238800 /nfs/dbraw/zinc/23/88/00/816238800.db2.gz ZXBMVYVYPDECAS-UHFFFAOYSA-N 1 2 265.320 2.133 20 30 CEEDLO C[N@H+]1CCCC(=Nc2nc3ncccc3cc2C#N)C1 ZINC001175574578 816238807 /nfs/dbraw/zinc/23/88/07/816238807.db2.gz ZXBMVYVYPDECAS-UHFFFAOYSA-N 1 2 265.320 2.133 20 30 CEEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001140599709 816297346 /nfs/dbraw/zinc/29/73/46/816297346.db2.gz NROZHNBYQPFZEE-OLZOCXBDSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001140599709 816297349 /nfs/dbraw/zinc/29/73/49/816297349.db2.gz NROZHNBYQPFZEE-OLZOCXBDSA-N 1 2 268.719 2.116 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cc(F)c(C#N)c(F)c2)CCCO1 ZINC001140751318 816343085 /nfs/dbraw/zinc/34/30/85/816343085.db2.gz RYQQVTXMBSXNCH-JTQLQIEISA-N 1 2 266.291 2.447 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CCCO1 ZINC001140751318 816343092 /nfs/dbraw/zinc/34/30/92/816343092.db2.gz RYQQVTXMBSXNCH-JTQLQIEISA-N 1 2 266.291 2.447 20 30 CEEDLO N#Cc1c(F)ccc(NC(=O)CCn2cc[nH+]c2)c1F ZINC001176878332 816488036 /nfs/dbraw/zinc/48/80/36/816488036.db2.gz LQAXLVDJFCBGHT-UHFFFAOYSA-N 1 2 276.246 2.062 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@H]21 ZINC001176944114 816505205 /nfs/dbraw/zinc/50/52/05/816505205.db2.gz TYKPNXNYENCHHF-UPYRFZFASA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@H]21 ZINC001176944114 816505207 /nfs/dbraw/zinc/50/52/07/816505207.db2.gz TYKPNXNYENCHHF-UPYRFZFASA-N 1 2 292.423 2.221 20 30 CEEDLO CSc1nc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)ccc1C#N ZINC001141932383 816600258 /nfs/dbraw/zinc/60/02/58/816600258.db2.gz ZSXBMBFGZXTCFU-BETUJISGSA-N 1 2 287.388 2.371 20 30 CEEDLO CSc1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)ccc1C#N ZINC001141932383 816600260 /nfs/dbraw/zinc/60/02/60/816600260.db2.gz ZSXBMBFGZXTCFU-BETUJISGSA-N 1 2 287.388 2.371 20 30 CEEDLO C#Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC001177996579 816655166 /nfs/dbraw/zinc/65/51/66/816655166.db2.gz HUFIORVEOUMLDB-UHFFFAOYSA-N 1 2 257.268 2.101 20 30 CEEDLO C=CC[NH2+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001178535423 816759595 /nfs/dbraw/zinc/75/95/95/816759595.db2.gz JEGSGFVJAAZTPT-JTQLQIEISA-N 1 2 284.297 2.339 20 30 CEEDLO C=CC[NH2+]CCCCCCNC(=O)[C@H](F)C(F)(F)F ZINC001178535423 816759600 /nfs/dbraw/zinc/75/96/00/816759600.db2.gz JEGSGFVJAAZTPT-JTQLQIEISA-N 1 2 284.297 2.339 20 30 CEEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)OCCO3)c1F ZINC001143165993 816796894 /nfs/dbraw/zinc/79/68/94/816796894.db2.gz AOLAQZZRFFYPET-UHFFFAOYSA-N 1 2 294.301 2.175 20 30 CEEDLO C=CCCC(C)(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620856479 349445084 /nfs/dbraw/zinc/44/50/84/349445084.db2.gz ZUURCQQSOGBROR-NSHDSACASA-N 1 2 261.369 2.376 20 30 CEEDLO C=CCCC(C)(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620856479 349445087 /nfs/dbraw/zinc/44/50/87/349445087.db2.gz ZUURCQQSOGBROR-NSHDSACASA-N 1 2 261.369 2.376 20 30 CEEDLO C[C@H](C#N)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000336251868 365536428 /nfs/dbraw/zinc/53/64/28/365536428.db2.gz FTQZHEDIWIFPAM-GFCCVEGCSA-N 1 2 286.379 2.085 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OCC ZINC000298265007 260149561 /nfs/dbraw/zinc/14/95/61/260149561.db2.gz VZHDMFZKFWRUGN-ZDUSSCGKSA-N 1 2 272.348 2.498 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OCC ZINC000298265007 260149563 /nfs/dbraw/zinc/14/95/63/260149563.db2.gz VZHDMFZKFWRUGN-ZDUSSCGKSA-N 1 2 272.348 2.498 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccon1 ZINC000350717383 219051445 /nfs/dbraw/zinc/05/14/45/219051445.db2.gz RPEZIEVORRTMQT-IAQYHMDHSA-N 1 2 296.330 2.002 20 30 CEEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccn1 ZINC000125346415 187180416 /nfs/dbraw/zinc/18/04/16/187180416.db2.gz OBFJHDLHTQGHMG-UHFFFAOYSA-N 1 2 294.358 2.414 20 30 CEEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccn1 ZINC000125346415 187180417 /nfs/dbraw/zinc/18/04/17/187180417.db2.gz OBFJHDLHTQGHMG-UHFFFAOYSA-N 1 2 294.358 2.414 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)C2(C#N)CC3(CC3)C2)c2[nH+]ccn21 ZINC000601618067 346862540 /nfs/dbraw/zinc/86/25/40/346862540.db2.gz XAAIOKUXGAMLGA-QWRGUYRKSA-N 1 2 270.336 2.089 20 30 CEEDLO C[C@H](C#N)N(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000601665030 346873162 /nfs/dbraw/zinc/87/31/62/346873162.db2.gz BQWXSQPSTWXVAX-CYBMUJFWSA-N 1 2 294.358 2.318 20 30 CEEDLO C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000328702183 539163418 /nfs/dbraw/zinc/16/34/18/539163418.db2.gz XCDFXUDXBWIUHJ-STQMWFEESA-N 1 2 284.400 2.011 20 30 CEEDLO CN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCC[C@H]1C#N ZINC000601804956 346903179 /nfs/dbraw/zinc/90/31/79/346903179.db2.gz AWKBYPPPQHARSQ-AAEUAGOBSA-N 1 2 268.320 2.099 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCOC1 ZINC000329741647 539248492 /nfs/dbraw/zinc/24/84/92/539248492.db2.gz WCABMNIWZIQPPU-LBPRGKRZSA-N 1 2 265.357 2.422 20 30 CEEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cccs1 ZINC000329828320 539254432 /nfs/dbraw/zinc/25/44/32/539254432.db2.gz JBTAWJGVELCJAC-JTQLQIEISA-N 1 2 276.365 2.435 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000042449515 362096892 /nfs/dbraw/zinc/09/68/92/362096892.db2.gz MWXUTLDJNSZEFM-NWDGAFQWSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000042449515 362096896 /nfs/dbraw/zinc/09/68/96/362096896.db2.gz MWXUTLDJNSZEFM-NWDGAFQWSA-N 1 2 253.390 2.161 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NCCC#N)c1ccccc1F ZINC000028690739 343397004 /nfs/dbraw/zinc/39/70/04/343397004.db2.gz CFSZJMKPHJFLEI-ZDUSSCGKSA-N 1 2 258.300 2.152 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000045109491 343480809 /nfs/dbraw/zinc/48/08/09/343480809.db2.gz PUUNDGOTVCJEEX-UHFFFAOYSA-N 1 2 262.357 2.109 20 30 CEEDLO CN(C)c1ccc(CNc2ncccc2C#N)c[nH+]1 ZINC000046484222 343500164 /nfs/dbraw/zinc/50/01/64/343500164.db2.gz PTVUGRJAFJFLDT-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000057754176 343637055 /nfs/dbraw/zinc/63/70/55/343637055.db2.gz QKLLUPRFIMNLHB-UHFFFAOYSA-N 1 2 289.217 2.132 20 30 CEEDLO C=CC[N@@H+](CC(=O)NCCCC)Cc1cccc(C#N)c1 ZINC000063300747 343676674 /nfs/dbraw/zinc/67/66/74/343676674.db2.gz ASBWSHGIQYBLCP-UHFFFAOYSA-N 1 2 285.391 2.463 20 30 CEEDLO C=CC[N@H+](CC(=O)NCCCC)Cc1cccc(C#N)c1 ZINC000063300747 343676677 /nfs/dbraw/zinc/67/66/77/343676677.db2.gz ASBWSHGIQYBLCP-UHFFFAOYSA-N 1 2 285.391 2.463 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329478230 529815064 /nfs/dbraw/zinc/81/50/64/529815064.db2.gz CFIVYOXQCBSHRB-YUSALJHKSA-N 1 2 261.325 2.161 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 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CCOC(=O)N1CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000169503222 344481957 /nfs/dbraw/zinc/48/19/57/344481957.db2.gz KTEQAIHZUOUWFU-WJDWOHSUSA-N 1 2 276.336 2.432 20 30 CEEDLO C[C@@H](CCC#N)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000602522237 347065381 /nfs/dbraw/zinc/06/53/81/347065381.db2.gz SELJMVRSMXQUNL-ZDUSSCGKSA-N 1 2 258.369 2.455 20 30 CEEDLO N#CC1CCC([NH2+]Cc2[nH]ncc2Br)CC1 ZINC000602550121 347073205 /nfs/dbraw/zinc/07/32/05/347073205.db2.gz GYAPEIDZYIQHBF-UHFFFAOYSA-N 1 2 283.173 2.344 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000364719559 344811757 /nfs/dbraw/zinc/81/17/57/344811757.db2.gz BXIFOHXRYTXYMI-XJKSGUPXSA-N 1 2 269.348 2.369 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000364719559 344811760 /nfs/dbraw/zinc/81/17/60/344811760.db2.gz BXIFOHXRYTXYMI-XJKSGUPXSA-N 1 2 269.348 2.369 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCOCc1ccccc1 ZINC000383781214 344828070 /nfs/dbraw/zinc/82/80/70/344828070.db2.gz RTQPKICLPCZSIU-OAHLLOKOSA-N 1 2 277.364 2.253 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCOCc1ccccc1 ZINC000383781214 344828073 /nfs/dbraw/zinc/82/80/73/344828073.db2.gz RTQPKICLPCZSIU-OAHLLOKOSA-N 1 2 277.364 2.253 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000403782615 344876756 /nfs/dbraw/zinc/87/67/56/344876756.db2.gz AVTMSCYRDFSUFR-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000403782615 344876758 /nfs/dbraw/zinc/87/67/58/344876758.db2.gz AVTMSCYRDFSUFR-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO Cc1cccn2cc(Cc3noc(CCCC#N)n3)[nH+]c12 ZINC000519497263 344927541 /nfs/dbraw/zinc/92/75/41/344927541.db2.gz VVGZUCYVXYQXKQ-UHFFFAOYSA-N 1 2 281.319 2.463 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000054181931 362518112 /nfs/dbraw/zinc/51/81/12/362518112.db2.gz CWIHRCAKBKUKQG-GFCCVEGCSA-N 1 2 278.352 2.494 20 30 CEEDLO N#Cc1cc(O)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000589178238 345069364 /nfs/dbraw/zinc/06/93/64/345069364.db2.gz QMENTYXYAXJRIB-GFCCVEGCSA-N 1 2 296.330 2.007 20 30 CEEDLO Cc1nccc([C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589497388 345084305 /nfs/dbraw/zinc/08/43/05/345084305.db2.gz RUSNYGRBDDKYFP-GFCCVEGCSA-N 1 2 299.403 2.493 20 30 CEEDLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000589497388 345084306 /nfs/dbraw/zinc/08/43/06/345084306.db2.gz RUSNYGRBDDKYFP-GFCCVEGCSA-N 1 2 299.403 2.493 20 30 CEEDLO C=CCNC(=O)C[N@@H+](CC=C)Cc1ccccc1F ZINC000056312524 362558552 /nfs/dbraw/zinc/55/85/52/362558552.db2.gz HVQXGDLAZZGCRS-UHFFFAOYSA-N 1 2 262.328 2.116 20 30 CEEDLO C=CCNC(=O)C[N@H+](CC=C)Cc1ccccc1F ZINC000056312524 362558561 /nfs/dbraw/zinc/55/85/61/362558561.db2.gz HVQXGDLAZZGCRS-UHFFFAOYSA-N 1 2 262.328 2.116 20 30 CEEDLO COCC[N@H+](CCC#N)C[C@H](Cc1ccccc1)OC ZINC000590698216 345162962 /nfs/dbraw/zinc/16/29/62/345162962.db2.gz SCXQEOSPHSUMHJ-INIZCTEOSA-N 1 2 276.380 2.106 20 30 CEEDLO COCC[N@@H+](CCC#N)C[C@H](Cc1ccccc1)OC ZINC000590698216 345162965 /nfs/dbraw/zinc/16/29/65/345162965.db2.gz SCXQEOSPHSUMHJ-INIZCTEOSA-N 1 2 276.380 2.106 20 30 CEEDLO Cc1cccn2cc(Cc3noc(CC4(C#N)CC4)n3)[nH+]c12 ZINC000590267440 345123650 /nfs/dbraw/zinc/12/36/50/345123650.db2.gz BUQHEELTHHJYDZ-UHFFFAOYSA-N 1 2 293.330 2.463 20 30 CEEDLO N#Cc1ccc(NCC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000590342826 345129963 /nfs/dbraw/zinc/12/99/63/345129963.db2.gz AEZUODCJUGNFHJ-UHFFFAOYSA-N 1 2 291.314 2.257 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CC1(C#N)CC1 ZINC000590344830 345130483 /nfs/dbraw/zinc/13/04/83/345130483.db2.gz KDOGNMORVXKOHL-UHFFFAOYSA-N 1 2 288.395 2.378 20 30 CEEDLO CC(C)(CO)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000591019602 345212562 /nfs/dbraw/zinc/21/25/62/345212562.db2.gz VIPKYOURQIIDFX-UHFFFAOYSA-N 1 2 293.455 2.239 20 30 CEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592072927 345319391 /nfs/dbraw/zinc/31/93/91/345319391.db2.gz BVJUIVNNTSHCCT-INIZCTEOSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592072927 345319393 /nfs/dbraw/zinc/31/93/93/345319393.db2.gz BVJUIVNNTSHCCT-INIZCTEOSA-N 1 2 281.363 2.332 20 30 CEEDLO CC(C)CO[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592075305 345319695 /nfs/dbraw/zinc/31/96/95/345319695.db2.gz VDYJWHKUFIKXIG-HNNXBMFYSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)CO[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592075305 345319697 /nfs/dbraw/zinc/31/96/97/345319697.db2.gz VDYJWHKUFIKXIG-HNNXBMFYSA-N 1 2 259.353 2.200 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000591475742 345260160 /nfs/dbraw/zinc/26/01/60/345260160.db2.gz AATCVHUZQBLBRN-ZJUUUORDSA-N 1 2 265.275 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000591475742 345260162 /nfs/dbraw/zinc/26/01/62/345260162.db2.gz AATCVHUZQBLBRN-ZJUUUORDSA-N 1 2 265.275 2.378 20 30 CEEDLO Cc1cc(C2CC[NH+](Cc3ccncc3C#N)CC2)[nH]n1 ZINC000592092853 345321417 /nfs/dbraw/zinc/32/14/17/345321417.db2.gz QHQMMLFDWPBITL-UHFFFAOYSA-N 1 2 281.363 2.364 20 30 CEEDLO Cc1cc(C2CC[NH+](Cc3ccncc3C#N)CC2)n[nH]1 ZINC000592092853 345321420 /nfs/dbraw/zinc/32/14/20/345321420.db2.gz QHQMMLFDWPBITL-UHFFFAOYSA-N 1 2 281.363 2.364 20 30 CEEDLO Cc1cc(NC[C@H](C)c2ccncc2)c(C#N)c[nH+]1 ZINC000591821056 345284603 /nfs/dbraw/zinc/28/46/03/345284603.db2.gz IBSCQUAIVTYSRM-NSHDSACASA-N 1 2 252.321 2.294 20 30 CEEDLO CC1(C)C[NH+](Cc2ccncc2C#N)CC(C)(C)O1 ZINC000592113363 345323738 /nfs/dbraw/zinc/32/37/38/345323738.db2.gz QTFWCAJAVUBNDI-UHFFFAOYSA-N 1 2 259.353 2.343 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(F)c1 ZINC000592130063 345327271 /nfs/dbraw/zinc/32/72/71/345327271.db2.gz NQIGYEKZFMDJHI-ZDUSSCGKSA-N 1 2 295.308 2.223 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(F)c1 ZINC000592130063 345327273 /nfs/dbraw/zinc/32/72/73/345327273.db2.gz NQIGYEKZFMDJHI-ZDUSSCGKSA-N 1 2 295.308 2.223 20 30 CEEDLO Cc1cncc(CC[N@H+](CCC#N)Cc2ccco2)n1 ZINC000593015941 345423679 /nfs/dbraw/zinc/42/36/79/345423679.db2.gz DJPYNSYTTBBKPU-UHFFFAOYSA-N 1 2 270.336 2.336 20 30 CEEDLO Cc1cncc(CC[N@@H+](CCC#N)Cc2ccco2)n1 ZINC000593015941 345423682 /nfs/dbraw/zinc/42/36/82/345423682.db2.gz DJPYNSYTTBBKPU-UHFFFAOYSA-N 1 2 270.336 2.336 20 30 CEEDLO CC(C)(C)N1CC[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593124906 345445237 /nfs/dbraw/zinc/44/52/37/345445237.db2.gz KUUUKBUNOOTPIU-HNNXBMFYSA-N 1 2 283.375 2.273 20 30 CEEDLO CC(C)(C)N1CC[C@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593124906 345445239 /nfs/dbraw/zinc/44/52/39/345445239.db2.gz KUUUKBUNOOTPIU-HNNXBMFYSA-N 1 2 283.375 2.273 20 30 CEEDLO Cc1cccc(Cl)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153187 345447369 /nfs/dbraw/zinc/44/73/69/345447369.db2.gz NKNVBRNRFYRFSV-HNNXBMFYSA-N 1 2 293.798 2.151 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000593153441 345447376 /nfs/dbraw/zinc/44/73/76/345447376.db2.gz PJLORZOIOIHVID-YWPYICTPSA-N 1 2 265.401 2.019 20 30 CEEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(F)c1 ZINC000593154929 345448018 /nfs/dbraw/zinc/44/80/18/345448018.db2.gz YOMPZIIYKFSMHQ-MLGOLLRUSA-N 1 2 291.370 2.279 20 30 CEEDLO CC[C@H](C#N)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000593385164 345474253 /nfs/dbraw/zinc/47/42/53/345474253.db2.gz ZVAIRVPFDOVNJX-UXHZXRBQSA-N 1 2 297.402 2.394 20 30 CEEDLO CC[C@H](C#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000593387070 345474679 /nfs/dbraw/zinc/47/46/79/345474679.db2.gz LOETUWXWYJQVBZ-CQSZACIVSA-N 1 2 287.363 2.007 20 30 CEEDLO CC[C@@H](C#N)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000593406315 345477934 /nfs/dbraw/zinc/47/79/34/345477934.db2.gz IABFTDUHVZLRPO-ZDUSSCGKSA-N 1 2 274.368 2.094 20 30 CEEDLO N#CCCCCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000594298186 345609436 /nfs/dbraw/zinc/60/94/36/345609436.db2.gz KQHMPQACRKZTJL-UHFFFAOYSA-N 1 2 296.374 2.269 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000594420879 345624591 /nfs/dbraw/zinc/62/45/91/345624591.db2.gz BBEVMTJSZAJEQI-NWDGAFQWSA-N 1 2 282.347 2.337 20 30 CEEDLO CCc1cccc(NC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057908192 362602079 /nfs/dbraw/zinc/60/20/79/362602079.db2.gz FTTJJIOBJUAWBH-UHFFFAOYSA-N 1 2 271.364 2.423 20 30 CEEDLO C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000595538226 345806033 /nfs/dbraw/zinc/80/60/33/345806033.db2.gz HNTIRDWORUTHBH-VXGBXAGGSA-N 1 2 297.362 2.413 20 30 CEEDLO CC(CN([C@H](C)C#N)C1CC1)C[N@H+]([C@H](C)C#N)C1CC1 ZINC000595712039 345857345 /nfs/dbraw/zinc/85/73/45/345857345.db2.gz FNYSBXYPSKPBSV-ZIAGYGMSSA-N 1 2 274.412 2.375 20 30 CEEDLO CC(CN([C@H](C)C#N)C1CC1)C[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595712039 345857348 /nfs/dbraw/zinc/85/73/48/345857348.db2.gz FNYSBXYPSKPBSV-ZIAGYGMSSA-N 1 2 274.412 2.375 20 30 CEEDLO C=CC[N@H+](Cc1ccoc1C(=O)OC)[C@@H](C)COC ZINC000595646481 345837244 /nfs/dbraw/zinc/83/72/44/345837244.db2.gz KUFNGEXXIXGSQO-NSHDSACASA-N 1 2 267.325 2.089 20 30 CEEDLO C=CC[N@@H+](Cc1ccoc1C(=O)OC)[C@@H](C)COC ZINC000595646481 345837248 /nfs/dbraw/zinc/83/72/48/345837248.db2.gz KUFNGEXXIXGSQO-NSHDSACASA-N 1 2 267.325 2.089 20 30 CEEDLO N#Cc1csc(C[NH+]2CCC(c3ccon3)CC2)n1 ZINC000595828271 345887521 /nfs/dbraw/zinc/88/75/21/345887521.db2.gz KGWHQPVCNINDAR-UHFFFAOYSA-N 1 2 274.349 2.382 20 30 CEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834504 345891088 /nfs/dbraw/zinc/89/10/88/345891088.db2.gz JTNDCYXIRXQFSI-RHSMWYFYSA-N 1 2 285.391 2.442 20 30 CEEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834504 345891091 /nfs/dbraw/zinc/89/10/91/345891091.db2.gz JTNDCYXIRXQFSI-RHSMWYFYSA-N 1 2 285.391 2.442 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836339 345892191 /nfs/dbraw/zinc/89/21/91/345892191.db2.gz YAGVPPRVHATJQZ-KDOFPFPSSA-N 1 2 297.402 2.195 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836339 345892193 /nfs/dbraw/zinc/89/21/93/345892193.db2.gz YAGVPPRVHATJQZ-KDOFPFPSSA-N 1 2 297.402 2.195 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835860 345892349 /nfs/dbraw/zinc/89/23/49/345892349.db2.gz VAUIIYXFWPYIID-MAUKXSAKSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835860 345892350 /nfs/dbraw/zinc/89/23/50/345892350.db2.gz VAUIIYXFWPYIID-MAUKXSAKSA-N 1 2 299.418 2.278 20 30 CEEDLO N#Cc1cccc(C2([NH2+]Cc3ncccn3)CCOCC2)c1 ZINC000595768639 345871723 /nfs/dbraw/zinc/87/17/23/345871723.db2.gz KFIJCFOSNMJTOZ-UHFFFAOYSA-N 1 2 294.358 2.144 20 30 CEEDLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844574 345896935 /nfs/dbraw/zinc/89/69/35/345896935.db2.gz VDOVHXFRUZJUGC-OCCSQVGLSA-N 1 2 252.358 2.200 20 30 CEEDLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844574 345896936 /nfs/dbraw/zinc/89/69/36/345896936.db2.gz VDOVHXFRUZJUGC-OCCSQVGLSA-N 1 2 252.358 2.200 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N(CCC#N)CCC#N ZINC000602583489 347088524 /nfs/dbraw/zinc/08/85/24/347088524.db2.gz XGDBAPZZVJHXCH-CYBMUJFWSA-N 1 2 257.341 2.001 20 30 CEEDLO C[C@]1(C(F)F)C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000595915380 345912472 /nfs/dbraw/zinc/91/24/72/345912472.db2.gz IVTBQOGKZHIDEQ-OAHLLOKOSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@]1(C(F)F)C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000595915380 345912475 /nfs/dbraw/zinc/91/24/75/345912475.db2.gz IVTBQOGKZHIDEQ-OAHLLOKOSA-N 1 2 296.317 2.293 20 30 CEEDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596077916 345934649 /nfs/dbraw/zinc/93/46/49/345934649.db2.gz DXJCHANJOCMHHZ-NSHDSACASA-N 1 2 285.307 2.472 20 30 CEEDLO C[C@@H](C[NH+]1CCCCC1)Nc1nc(C#N)c(Cl)s1 ZINC000596077550 345934866 /nfs/dbraw/zinc/93/48/66/345934866.db2.gz SFQNTISTMDGCHO-VIFPVBQESA-N 1 2 284.816 2.376 20 30 CEEDLO C=CCCSCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000596413662 346018647 /nfs/dbraw/zinc/01/86/47/346018647.db2.gz QMQZJCYEMWWOMP-UHFFFAOYSA-N 1 2 294.424 2.034 20 30 CEEDLO C=CCCSCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000596413662 346018648 /nfs/dbraw/zinc/01/86/48/346018648.db2.gz QMQZJCYEMWWOMP-UHFFFAOYSA-N 1 2 294.424 2.034 20 30 CEEDLO Cc1cc(NC[C@@H](O)[C@@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000596548573 346052143 /nfs/dbraw/zinc/05/21/43/346052143.db2.gz 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/nfs/dbraw/zinc/56/91/07/366569107.db2.gz IWENCLHYYXUMIK-UHFFFAOYSA-N 1 2 289.354 2.142 20 30 CEEDLO Cc1nnc([C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000579084551 366590921 /nfs/dbraw/zinc/59/09/21/366590921.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000579084551 366590924 /nfs/dbraw/zinc/59/09/24/366590924.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000579084551 366590932 /nfs/dbraw/zinc/59/09/32/366590932.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000579084551 366590934 /nfs/dbraw/zinc/59/09/34/366590934.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)n[nH]1 ZINC000579084551 366590941 /nfs/dbraw/zinc/59/09/41/366590941.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)n[nH]1 ZINC000579084551 366590947 /nfs/dbraw/zinc/59/09/47/366590947.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000579478791 366651890 /nfs/dbraw/zinc/65/18/90/366651890.db2.gz CJHNZWUHDCISFT-QWRGUYRKSA-N 1 2 275.308 2.076 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000579478791 366651894 /nfs/dbraw/zinc/65/18/94/366651894.db2.gz CJHNZWUHDCISFT-QWRGUYRKSA-N 1 2 275.308 2.076 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@H+](CCOCC3CC3)CCO2)c1 ZINC000341822622 216119092 /nfs/dbraw/zinc/11/90/92/216119092.db2.gz YBHVKBBMPGCZHP-QGZVFWFLSA-N 1 2 286.375 2.358 20 30 CEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)c1 ZINC000341822622 216119096 /nfs/dbraw/zinc/11/90/96/216119096.db2.gz YBHVKBBMPGCZHP-QGZVFWFLSA-N 1 2 286.375 2.358 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000491690997 332287794 /nfs/dbraw/zinc/28/77/94/332287794.db2.gz FDZZFXAPGBZQBB-UHFFFAOYSA-N 1 2 261.247 2.018 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674014026 540717358 /nfs/dbraw/zinc/71/73/58/540717358.db2.gz WNOCHZNPEZNUPM-SMDDNHRTSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674014026 540717360 /nfs/dbraw/zinc/71/73/60/540717360.db2.gz WNOCHZNPEZNUPM-SMDDNHRTSA-N 1 2 262.328 2.263 20 30 CEEDLO N#Cc1c[nH]c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000342072263 216209024 /nfs/dbraw/zinc/20/90/24/216209024.db2.gz SYXBGMDWXXJVGF-UHFFFAOYSA-N 1 2 291.314 2.206 20 30 CEEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)OC)ccc1OC ZINC000179397447 189190941 /nfs/dbraw/zinc/19/09/41/189190941.db2.gz MKWBZCNYFSVHIF-UHFFFAOYSA-N 1 2 293.363 2.255 20 30 CEEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)OC)ccc1OC ZINC000179397447 189190942 /nfs/dbraw/zinc/19/09/42/189190942.db2.gz MKWBZCNYFSVHIF-UHFFFAOYSA-N 1 2 293.363 2.255 20 30 CEEDLO C#CCCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000180204388 189243105 /nfs/dbraw/zinc/24/31/05/189243105.db2.gz GVSUDBKQVUNZRN-UHFFFAOYSA-N 1 2 259.353 2.193 20 30 CEEDLO COCC#CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000677818680 541046512 /nfs/dbraw/zinc/04/65/12/541046512.db2.gz FVLPPQUHFDPUFI-UHFFFAOYSA-N 1 2 292.354 2.124 20 30 CEEDLO COCC#CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000677818680 541046513 /nfs/dbraw/zinc/04/65/13/541046513.db2.gz FVLPPQUHFDPUFI-UHFFFAOYSA-N 1 2 292.354 2.124 20 30 CEEDLO COCC#CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000677818754 541046530 /nfs/dbraw/zinc/04/65/30/541046530.db2.gz VLOXKVNKIAAADR-HOCLYGCPSA-N 1 2 259.349 2.098 20 30 CEEDLO COCC#CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000677818754 541046531 /nfs/dbraw/zinc/04/65/31/541046531.db2.gz VLOXKVNKIAAADR-HOCLYGCPSA-N 1 2 259.349 2.098 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC(C)(C)CC1 ZINC000580718027 366779984 /nfs/dbraw/zinc/77/99/84/366779984.db2.gz NJMFPHBQSJYPCW-OAHLLOKOSA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@H](CC(C)(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581014582 366782440 /nfs/dbraw/zinc/78/24/40/366782440.db2.gz NEOQARVROSQLLC-RISCZKNCSA-N 1 2 253.390 2.019 20 30 CEEDLO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C#N)CCC#N ZINC000025368834 361623974 /nfs/dbraw/zinc/62/39/74/361623974.db2.gz CEDHFVOKKRRUBR-CYBMUJFWSA-N 1 2 271.320 2.291 20 30 CEEDLO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C#N)CCC#N ZINC000025368834 361623977 /nfs/dbraw/zinc/62/39/77/361623977.db2.gz CEDHFVOKKRRUBR-CYBMUJFWSA-N 1 2 271.320 2.291 20 30 CEEDLO Cc1cc(C)n2c(C[N@H+](CCC#N)CC3CC3)cnc2n1 ZINC000093091410 364141102 /nfs/dbraw/zinc/14/11/02/364141102.db2.gz DBDHSNZCDWNANP-UHFFFAOYSA-N 1 2 283.379 2.472 20 30 CEEDLO Cc1cc(C)n2c(C[N@@H+](CCC#N)CC3CC3)cnc2n1 ZINC000093091410 364141111 /nfs/dbraw/zinc/14/11/11/364141111.db2.gz DBDHSNZCDWNANP-UHFFFAOYSA-N 1 2 283.379 2.472 20 30 CEEDLO CC(C)(C)[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356417223 370701830 /nfs/dbraw/zinc/70/18/30/370701830.db2.gz QJUZCFCIGHFVNA-RYUDHWBXSA-N 1 2 279.409 2.244 20 30 CEEDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1O ZINC000356417223 370701832 /nfs/dbraw/zinc/70/18/32/370701832.db2.gz QJUZCFCIGHFVNA-RYUDHWBXSA-N 1 2 279.409 2.244 20 30 CEEDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC000334645080 364127081 /nfs/dbraw/zinc/12/70/81/364127081.db2.gz GUBBVDUAGDXXRF-UHFFFAOYSA-N 1 2 284.338 2.379 20 30 CEEDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC000334645080 364127085 /nfs/dbraw/zinc/12/70/85/364127085.db2.gz GUBBVDUAGDXXRF-UHFFFAOYSA-N 1 2 284.338 2.379 20 30 CEEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093340123 364167826 /nfs/dbraw/zinc/16/78/26/364167826.db2.gz YYBSMNQUUDOIFR-HNNXBMFYSA-N 1 2 298.390 2.453 20 30 CEEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093340123 364167830 /nfs/dbraw/zinc/16/78/30/364167830.db2.gz YYBSMNQUUDOIFR-HNNXBMFYSA-N 1 2 298.390 2.453 20 30 CEEDLO C=CCN(C)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356471550 370724197 /nfs/dbraw/zinc/72/41/97/370724197.db2.gz IVYGHDBGQIREFA-UHFFFAOYSA-N 1 2 257.337 2.379 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000157629412 366847691 /nfs/dbraw/zinc/84/76/91/366847691.db2.gz MQHGCIJXBZBGQL-CABCVRRESA-N 1 2 299.418 2.441 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000157629412 366847697 /nfs/dbraw/zinc/84/76/97/366847697.db2.gz MQHGCIJXBZBGQL-CABCVRRESA-N 1 2 299.418 2.441 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000335120920 364505200 /nfs/dbraw/zinc/50/52/00/364505200.db2.gz XZAKFUZUZHMRQP-GFCCVEGCSA-N 1 2 289.404 2.243 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H](C)C#N ZINC000098134547 364535694 /nfs/dbraw/zinc/53/56/94/364535694.db2.gz IQCPYYXGPLTFHS-KBPBESRZSA-N 1 2 267.417 2.361 20 30 CEEDLO CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H](C)C#N ZINC000098134547 364535696 /nfs/dbraw/zinc/53/56/96/364535696.db2.gz IQCPYYXGPLTFHS-KBPBESRZSA-N 1 2 267.417 2.361 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000335164266 364563233 /nfs/dbraw/zinc/56/32/33/364563233.db2.gz WGXGSUGQRLRVFB-GFCCVEGCSA-N 1 2 265.316 2.426 20 30 CEEDLO C[C@H](C(=O)Nc1ccc(CC#N)cc1)[NH+]1CCSCC1 ZINC000103467741 364658415 /nfs/dbraw/zinc/65/84/15/364658415.db2.gz YWJXZAPQLJKIMH-GFCCVEGCSA-N 1 2 289.404 2.128 20 30 CEEDLO C=C(C)C[N@@H+](CC)Cc1noc(C2CCOCC2)n1 ZINC000104945129 364699064 /nfs/dbraw/zinc/69/90/64/364699064.db2.gz RLCJWYPUSANALG-UHFFFAOYSA-N 1 2 265.357 2.362 20 30 CEEDLO C=C(C)C[N@H+](CC)Cc1noc(C2CCOCC2)n1 ZINC000104945129 364699066 /nfs/dbraw/zinc/69/90/66/364699066.db2.gz RLCJWYPUSANALG-UHFFFAOYSA-N 1 2 265.357 2.362 20 30 CEEDLO Cc1cc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)ccc1C#N ZINC000335732590 364902588 /nfs/dbraw/zinc/90/25/88/364902588.db2.gz INWUNXAKWBBGNQ-BFUOFWGJSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)ccc1C#N ZINC000335732590 364902590 /nfs/dbraw/zinc/90/25/90/364902590.db2.gz INWUNXAKWBBGNQ-BFUOFWGJSA-N 1 2 276.405 2.210 20 30 CEEDLO N#Cc1cccc(OCCCCC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000114336770 364938417 /nfs/dbraw/zinc/93/84/17/364938417.db2.gz YQVZHHRSKHIBMN-UHFFFAOYSA-N 1 2 298.346 2.147 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117789311 365124974 /nfs/dbraw/zinc/12/49/74/365124974.db2.gz ICGXBBKKFLIOBR-LBPRGKRZSA-N 1 2 268.320 2.246 20 30 CEEDLO N#Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1Cl ZINC000119552313 365288495 /nfs/dbraw/zinc/28/84/95/365288495.db2.gz KFCJOVXRWTYKAG-UHFFFAOYSA-N 1 2 275.699 2.256 20 30 CEEDLO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275808311 193134397 /nfs/dbraw/zinc/13/43/97/193134397.db2.gz ZHHPFGOUEUYPIB-STQMWFEESA-N 1 2 284.363 2.239 20 30 CEEDLO Cc1ccc(C#N)c(NCc2ccc[nH+]c2N(C)C)n1 ZINC000160577753 367019465 /nfs/dbraw/zinc/01/94/65/367019465.db2.gz IPZLHECRDDSTEQ-UHFFFAOYSA-N 1 2 267.336 2.335 20 30 CEEDLO C[C@@H](CC(=O)NCC#Cc1cccc(F)c1)n1cc[nH+]c1 ZINC000583268633 367024645 /nfs/dbraw/zinc/02/46/45/367024645.db2.gz MULXSJUKPOZIRJ-ZDUSSCGKSA-N 1 2 285.322 2.141 20 30 CEEDLO C[C@H]1CCCN1C(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000357929166 370838695 /nfs/dbraw/zinc/83/86/95/370838695.db2.gz SOJXWULEFKRSFT-AWEZNQCLSA-N 1 2 289.379 2.396 20 30 CEEDLO C[C@H]1CCCN1C(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000357929166 370838702 /nfs/dbraw/zinc/83/87/02/370838702.db2.gz SOJXWULEFKRSFT-AWEZNQCLSA-N 1 2 289.379 2.396 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000602864749 367217272 /nfs/dbraw/zinc/21/72/72/367217272.db2.gz VNCSZCLHOSKQHA-SWLSCSKDSA-N 1 2 271.364 2.072 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(F)c(F)c1 ZINC000602865836 367217564 /nfs/dbraw/zinc/21/75/64/367217564.db2.gz ZRNOWZPIYFDTDS-DTWKUNHWSA-N 1 2 267.279 2.184 20 30 CEEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000170938252 367450104 /nfs/dbraw/zinc/45/01/04/367450104.db2.gz SFGOKYGUNNLYOC-JTQLQIEISA-N 1 2 297.786 2.086 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H](C)CC#N ZINC000171551745 367565125 /nfs/dbraw/zinc/56/51/25/367565125.db2.gz SPZWDXDGKOTODX-LBPRGKRZSA-N 1 2 284.363 2.359 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)[nH]1 ZINC000342823737 367558628 /nfs/dbraw/zinc/55/86/28/367558628.db2.gz XCAKBOQVLKSVCP-MRVPVSSYSA-N 1 2 261.354 2.151 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343541676 367873208 /nfs/dbraw/zinc/87/32/08/367873208.db2.gz YKESIGVZUQGJMP-STQMWFEESA-N 1 2 261.369 2.307 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000343766721 367994151 /nfs/dbraw/zinc/99/41/51/367994151.db2.gz KLQODMRSIRZZHH-UKRRQHHQSA-N 1 2 280.412 2.101 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000343766721 367994156 /nfs/dbraw/zinc/99/41/56/367994156.db2.gz KLQODMRSIRZZHH-UKRRQHHQSA-N 1 2 280.412 2.101 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C#N)C(C)C ZINC000343664321 367944601 /nfs/dbraw/zinc/94/46/01/367944601.db2.gz MPCKQBQNFDDKFC-CQSZACIVSA-N 1 2 284.363 2.399 20 30 CEEDLO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344058563 368104241 /nfs/dbraw/zinc/10/42/41/368104241.db2.gz KZILQQWODVGSOE-RYUDHWBXSA-N 1 2 264.373 2.435 20 30 CEEDLO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344058563 368104245 /nfs/dbraw/zinc/10/42/45/368104245.db2.gz KZILQQWODVGSOE-RYUDHWBXSA-N 1 2 264.373 2.435 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000175019386 368091187 /nfs/dbraw/zinc/09/11/87/368091187.db2.gz DBVGRQWAOPHNPY-NXEZZACHSA-N 1 2 282.746 2.268 20 30 CEEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000184174976 368677306 /nfs/dbraw/zinc/67/73/06/368677306.db2.gz KLWDOHNPKASDMI-BXUZGUMPSA-N 1 2 294.424 2.157 20 30 CEEDLO C#CCC(C)(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000185056054 368740277 /nfs/dbraw/zinc/74/02/77/368740277.db2.gz UZXHZUCWUAWLTP-UHFFFAOYSA-N 1 2 285.391 2.348 20 30 CEEDLO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(C#N)o1)n2C ZINC000185836252 368870420 /nfs/dbraw/zinc/87/04/20/368870420.db2.gz NARMFKRFJSJDDN-UHFFFAOYSA-N 1 2 296.330 2.336 20 30 CEEDLO CCc1nn(Cc2ccc(C)[nH+]c2C)c(=O)c(C#N)c1CC ZINC000186614504 369007300 /nfs/dbraw/zinc/00/73/00/369007300.db2.gz MWLDCOHCDLJTSD-UHFFFAOYSA-N 1 2 296.374 2.300 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1)C1CC1 ZINC000348528066 369071143 /nfs/dbraw/zinc/07/11/43/369071143.db2.gz WTFWRJYKICTLPY-RDJZCZTQSA-N 1 2 283.375 2.242 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H]1c1ccccc1)C1CC1 ZINC000348528066 369071150 /nfs/dbraw/zinc/07/11/50/369071150.db2.gz WTFWRJYKICTLPY-RDJZCZTQSA-N 1 2 283.375 2.242 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000348526942 369071158 /nfs/dbraw/zinc/07/11/58/369071158.db2.gz YFCYKHPWGHAEBH-RDJZCZTQSA-N 1 2 285.391 2.488 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000348526942 369071160 /nfs/dbraw/zinc/07/11/60/369071160.db2.gz YFCYKHPWGHAEBH-RDJZCZTQSA-N 1 2 285.391 2.488 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000348540396 369076896 /nfs/dbraw/zinc/07/68/96/369076896.db2.gz VJNPSPJNYGKQPR-CQSZACIVSA-N 1 2 273.380 2.235 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000348540396 369076900 /nfs/dbraw/zinc/07/69/00/369076900.db2.gz VJNPSPJNYGKQPR-CQSZACIVSA-N 1 2 273.380 2.235 20 30 CEEDLO Cc1cc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n[nH]1 ZINC000187157052 369112219 /nfs/dbraw/zinc/11/22/19/369112219.db2.gz GAPDHRNEBSQHJK-UHFFFAOYSA-N 1 2 299.353 2.051 20 30 CEEDLO C=CCCN(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000276052571 193199871 /nfs/dbraw/zinc/19/98/71/193199871.db2.gz HOYKKXFUXDGADA-UHFFFAOYSA-N 1 2 272.352 2.360 20 30 CEEDLO Cc1ccnc(NC(=O)C[N@H+](C)CC#Cc2ccccc2)c1 ZINC000683006262 541750255 /nfs/dbraw/zinc/75/02/55/541750255.db2.gz AIYNVMVBRHYVSK-UHFFFAOYSA-N 1 2 293.370 2.312 20 30 CEEDLO Cc1ccnc(NC(=O)C[N@@H+](C)CC#Cc2ccccc2)c1 ZINC000683006262 541750258 /nfs/dbraw/zinc/75/02/58/541750258.db2.gz AIYNVMVBRHYVSK-UHFFFAOYSA-N 1 2 293.370 2.312 20 30 CEEDLO C=CCN(C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635818650 369360758 /nfs/dbraw/zinc/36/07/58/369360758.db2.gz ILQYTADONIYXNC-VIFPVBQESA-N 1 2 261.247 2.021 20 30 CEEDLO Cc1ccc[nH+]c1CCc1noc([C@@]2(C#N)C[C@@H]2C)n1 ZINC000351132950 369609546 /nfs/dbraw/zinc/60/95/46/369609546.db2.gz QGYZBEBWGDDRGQ-XHDPSFHLSA-N 1 2 268.320 2.359 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000191109970 369678464 /nfs/dbraw/zinc/67/84/64/369678464.db2.gz DGOHXEOIOSWYDT-INIZCTEOSA-N 1 2 288.391 2.141 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000191109970 369678471 /nfs/dbraw/zinc/67/84/71/369678471.db2.gz DGOHXEOIOSWYDT-INIZCTEOSA-N 1 2 288.391 2.141 20 30 CEEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192215836 369781170 /nfs/dbraw/zinc/78/11/70/369781170.db2.gz WSPLRQYEXRTWHL-OAHLLOKOSA-N 1 2 289.354 2.044 20 30 CEEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192215836 369781173 /nfs/dbraw/zinc/78/11/73/369781173.db2.gz WSPLRQYEXRTWHL-OAHLLOKOSA-N 1 2 289.354 2.044 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000192226892 369782667 /nfs/dbraw/zinc/78/26/67/369782667.db2.gz XYGDJCXCXSTPTQ-UHFFFAOYSA-N 1 2 284.403 2.033 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000192226892 369782671 /nfs/dbraw/zinc/78/26/71/369782671.db2.gz XYGDJCXCXSTPTQ-UHFFFAOYSA-N 1 2 284.403 2.033 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN3CCC(F)(F)C3)n2c1 ZINC000336500460 213375214 /nfs/dbraw/zinc/37/52/14/213375214.db2.gz PLJFNABLEWBUFP-UHFFFAOYSA-N 1 2 262.263 2.047 20 30 CEEDLO Cc1[nH]nc2ncc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc12 ZINC000354032976 370188367 /nfs/dbraw/zinc/18/83/67/370188367.db2.gz GRGZDERUAIDXBR-JTQLQIEISA-N 1 2 269.352 2.390 20 30 CEEDLO Cc1[nH]nc2ncc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc12 ZINC000354032976 370188370 /nfs/dbraw/zinc/18/83/70/370188370.db2.gz GRGZDERUAIDXBR-JTQLQIEISA-N 1 2 269.352 2.390 20 30 CEEDLO C[C@H](C#N)CN(Cc1c[nH+]c2ccc(C#N)cn12)C1CC1 ZINC000354032606 370188934 /nfs/dbraw/zinc/18/89/34/370188934.db2.gz CHIIVIXISPTRJJ-GFCCVEGCSA-N 1 2 279.347 2.330 20 30 CEEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000355460244 370560308 /nfs/dbraw/zinc/56/03/08/370560308.db2.gz SHTWMIUUBQEBDC-MNOVXSKESA-N 1 2 274.368 2.056 20 30 CEEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000355460244 370560310 /nfs/dbraw/zinc/56/03/10/370560310.db2.gz SHTWMIUUBQEBDC-MNOVXSKESA-N 1 2 274.368 2.056 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000248034468 371156954 /nfs/dbraw/zinc/15/69/54/371156954.db2.gz KYIGWGKYTRQNRA-HUUCEWRRSA-N 1 2 282.428 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC)C1 ZINC000248034468 371156956 /nfs/dbraw/zinc/15/69/56/371156956.db2.gz KYIGWGKYTRQNRA-HUUCEWRRSA-N 1 2 282.428 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249922815 371370385 /nfs/dbraw/zinc/37/03/85/371370385.db2.gz ZCMJBFGPKRPTAM-ZIAGYGMSSA-N 1 2 265.401 2.281 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249922815 371370386 /nfs/dbraw/zinc/37/03/86/371370386.db2.gz ZCMJBFGPKRPTAM-ZIAGYGMSSA-N 1 2 265.401 2.281 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639748440 371540943 /nfs/dbraw/zinc/54/09/43/371540943.db2.gz FJDIQJXATULQRB-HNNXBMFYSA-N 1 2 295.471 2.073 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639748440 371540947 /nfs/dbraw/zinc/54/09/47/371540947.db2.gz FJDIQJXATULQRB-HNNXBMFYSA-N 1 2 295.471 2.073 20 30 CEEDLO C#CC[NH+](CC#C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255310701 371574037 /nfs/dbraw/zinc/57/40/37/371574037.db2.gz LTZWUNCLBHRTPI-CLFYSBASSA-N 1 2 254.289 2.176 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CC(C)(C)[C@@H]2c2ccco2)C1=O ZINC000639928858 371677518 /nfs/dbraw/zinc/67/75/18/371677518.db2.gz IYVOBPKJHVHCRY-OCCSQVGLSA-N 1 2 274.364 2.449 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CC(C)(C)[C@@H]2c2ccco2)C1=O ZINC000639928858 371677524 /nfs/dbraw/zinc/67/75/24/371677524.db2.gz IYVOBPKJHVHCRY-OCCSQVGLSA-N 1 2 274.364 2.449 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C ZINC000177174546 284294234 /nfs/dbraw/zinc/29/42/34/284294234.db2.gz PWHZBFYNPYOHDT-RISCZKNCSA-N 1 2 258.321 2.257 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1C ZINC000177174546 284294237 /nfs/dbraw/zinc/29/42/37/284294237.db2.gz PWHZBFYNPYOHDT-RISCZKNCSA-N 1 2 258.321 2.257 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ncccn2)n1 ZINC000361638023 371992001 /nfs/dbraw/zinc/99/20/01/371992001.db2.gz BCTPGZDORXZFQL-UHFFFAOYSA-N 1 2 290.392 2.235 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ncccn2)n1 ZINC000361638023 371992011 /nfs/dbraw/zinc/99/20/11/371992011.db2.gz BCTPGZDORXZFQL-UHFFFAOYSA-N 1 2 290.392 2.235 20 30 CEEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361862517 372103853 /nfs/dbraw/zinc/10/38/53/372103853.db2.gz OHQUHUMLGYVNIZ-UHFFFAOYSA-N 1 2 264.300 2.081 20 30 CEEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361862517 372103854 /nfs/dbraw/zinc/10/38/54/372103854.db2.gz OHQUHUMLGYVNIZ-UHFFFAOYSA-N 1 2 264.300 2.081 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000268527580 372127593 /nfs/dbraw/zinc/12/75/93/372127593.db2.gz HORIQCZBKPXYKD-ZDUSSCGKSA-N 1 2 254.337 2.283 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000268527580 372127598 /nfs/dbraw/zinc/12/75/98/372127598.db2.gz HORIQCZBKPXYKD-ZDUSSCGKSA-N 1 2 254.337 2.283 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(CC)cc2)nn1 ZINC000640942561 372187113 /nfs/dbraw/zinc/18/71/13/372187113.db2.gz LJCUMSKBWITWNT-UHFFFAOYSA-N 1 2 268.364 2.002 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2cc3ccccc3o2)nn1 ZINC000641076662 372284995 /nfs/dbraw/zinc/28/49/95/372284995.db2.gz MMHCKYLBANLFAN-UHFFFAOYSA-N 1 2 280.331 2.186 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2nc3ccccc3s2)nn1 ZINC000641232630 372400716 /nfs/dbraw/zinc/40/07/16/372400716.db2.gz GZLHPUJUYGSIHH-UHFFFAOYSA-N 1 2 297.387 2.049 20 30 CEEDLO CC1(C)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269685901 372533147 /nfs/dbraw/zinc/53/31/47/372533147.db2.gz HMEURDXLDHHSDW-MRXNPFEDSA-N 1 2 297.402 2.249 20 30 CEEDLO N#Cc1cccnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269902876 372593439 /nfs/dbraw/zinc/59/34/39/372593439.db2.gz ZRXWKRDLBSRJNE-ZDUSSCGKSA-N 1 2 265.320 2.039 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)OCC ZINC000270100614 372666187 /nfs/dbraw/zinc/66/61/87/372666187.db2.gz QLJHCBNREBUTMG-AWEZNQCLSA-N 1 2 291.395 2.487 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000365915990 372954908 /nfs/dbraw/zinc/95/49/08/372954908.db2.gz RHIMBDLWVCUCMA-HNNXBMFYSA-N 1 2 266.348 2.134 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000365915990 372954912 /nfs/dbraw/zinc/95/49/12/372954912.db2.gz RHIMBDLWVCUCMA-HNNXBMFYSA-N 1 2 266.348 2.134 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)/C=C/c1cccc(C#N)c1)CC2 ZINC000367792907 373189237 /nfs/dbraw/zinc/18/92/37/373189237.db2.gz HZBQFPHWTGQSAQ-AATRIKPKSA-N 1 2 292.342 2.119 20 30 CEEDLO C=CCNC(=O)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000272037120 373273515 /nfs/dbraw/zinc/27/35/15/373273515.db2.gz UDXIRGWSOLOXOO-UHFFFAOYSA-N 1 2 276.384 2.438 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000371462170 373891682 /nfs/dbraw/zinc/89/16/82/373891682.db2.gz BMWXYMGCKRSOPC-AWEZNQCLSA-N 1 2 280.331 2.269 20 30 CEEDLO C=CCCCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000274390349 373903754 /nfs/dbraw/zinc/90/37/54/373903754.db2.gz AXEMHJGSRPFBCM-UHFFFAOYSA-N 1 2 295.350 2.374 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000274250984 373855017 /nfs/dbraw/zinc/85/50/17/373855017.db2.gz ZPFRGDVUIIRNDI-GOSISDBHSA-N 1 2 282.387 2.352 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000274250984 373855021 /nfs/dbraw/zinc/85/50/21/373855021.db2.gz ZPFRGDVUIIRNDI-GOSISDBHSA-N 1 2 282.387 2.352 20 30 CEEDLO C#CCOc1ccccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274877572 374080089 /nfs/dbraw/zinc/08/00/89/374080089.db2.gz VQJSSTIDQFQMMA-CYBMUJFWSA-N 1 2 298.346 2.105 20 30 CEEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000280550154 375240927 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/nfs/dbraw/zinc/27/11/25/380271125.db2.gz BZVZJJICNNLPPM-JSGCOSHPSA-N 1 2 299.461 2.354 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCCC#N)c1ccccc1 ZINC000541356299 380271853 /nfs/dbraw/zinc/27/18/53/380271853.db2.gz XGXNNNWZQGYCRC-CQSZACIVSA-N 1 2 297.362 2.112 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000334378595 380327676 /nfs/dbraw/zinc/32/76/76/380327676.db2.gz GTVOKYPXOFIIOG-NSHDSACASA-N 1 2 270.292 2.242 20 30 CEEDLO N#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000492856282 380709625 /nfs/dbraw/zinc/70/96/25/380709625.db2.gz BNMFHRQDWXRJIX-GFUIURDCSA-N 1 2 286.722 2.457 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cccc(Cl)c1 ZINC000493662567 381117304 /nfs/dbraw/zinc/11/73/04/381117304.db2.gz WZEFXRCWJZUMJY-KIUWMYQTSA-N 1 2 291.782 2.313 20 30 CEEDLO C=CC[N@@H+](C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000494672720 381161408 /nfs/dbraw/zinc/16/14/08/381161408.db2.gz MWBKGRMYGZTVFY-UHFFFAOYSA-N 1 2 295.346 2.139 20 30 CEEDLO C=CC[N@H+](C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000494672720 381161417 /nfs/dbraw/zinc/16/14/17/381161417.db2.gz MWBKGRMYGZTVFY-UHFFFAOYSA-N 1 2 295.346 2.139 20 30 CEEDLO Cc1cc(C)cc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493692902 381134065 /nfs/dbraw/zinc/13/40/65/381134065.db2.gz MQWJLQZMLJBTKM-JTGQJZMRSA-N 1 2 285.391 2.277 20 30 CEEDLO CC[N@H+](CC#N)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000497042423 381239277 /nfs/dbraw/zinc/23/92/77/381239277.db2.gz CGHQKHSYUGCPMN-HNNXBMFYSA-N 1 2 281.400 2.479 20 30 CEEDLO CC[N@@H+](CC#N)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000497042423 381239289 /nfs/dbraw/zinc/23/92/89/381239289.db2.gz CGHQKHSYUGCPMN-HNNXBMFYSA-N 1 2 281.400 2.479 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000335306168 208152463 /nfs/dbraw/zinc/15/24/63/208152463.db2.gz RJXSGHFFAGNAAF-ZDUSSCGKSA-N 1 2 295.346 2.313 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000192232212 533113207 /nfs/dbraw/zinc/11/32/07/533113207.db2.gz FDDIMXFJJJQTIK-SNVBAGLBSA-N 1 2 282.290 2.180 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000192232212 533113211 /nfs/dbraw/zinc/11/32/11/533113211.db2.gz FDDIMXFJJJQTIK-SNVBAGLBSA-N 1 2 282.290 2.180 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCSC ZINC000281534054 195278202 /nfs/dbraw/zinc/27/82/02/195278202.db2.gz WJHZHAAMEOCWFK-AWEZNQCLSA-N 1 2 292.404 2.457 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCSC ZINC000281534054 195278203 /nfs/dbraw/zinc/27/82/03/195278203.db2.gz WJHZHAAMEOCWFK-AWEZNQCLSA-N 1 2 292.404 2.457 20 30 CEEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(O)CC2)c1 ZINC000191774634 130299488 /nfs/dbraw/zinc/29/94/88/130299488.db2.gz QTDWFMJQOPRRFP-UHFFFAOYSA-N 1 2 295.180 2.277 20 30 CEEDLO CCn1c2ccccc2[nH+]c1CCNc1nccnc1C#N ZINC000263802132 131334336 /nfs/dbraw/zinc/33/43/36/131334336.db2.gz LPBSBMWWKDYSDZ-UHFFFAOYSA-N 1 2 292.346 2.372 20 30 CEEDLO N#Cc1ccc(NCc2cn3c([nH+]2)CCCC3)nc1 ZINC000263815543 131337247 /nfs/dbraw/zinc/33/72/47/131337247.db2.gz VPPCERNDYUHNJU-UHFFFAOYSA-N 1 2 253.309 2.098 20 30 CEEDLO Cc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000264098734 131394545 /nfs/dbraw/zinc/39/45/45/131394545.db2.gz IGONVISPWLKFII-UHFFFAOYSA-N 1 2 298.346 2.293 20 30 CEEDLO C=C(C)CN(CC)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413035304 394469671 /nfs/dbraw/zinc/46/96/71/394469671.db2.gz CJXJAHQLQJBBCE-UONOGXRCSA-N 1 2 290.411 2.086 20 30 CEEDLO C=C(C)CN(CC)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413035304 394469678 /nfs/dbraw/zinc/46/96/78/394469678.db2.gz CJXJAHQLQJBBCE-UONOGXRCSA-N 1 2 290.411 2.086 20 30 CEEDLO N#CC1(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000328994302 394559757 /nfs/dbraw/zinc/55/97/57/394559757.db2.gz GEJIUISBTAJPMQ-LBPRGKRZSA-N 1 2 271.368 2.165 20 30 CEEDLO N#CC1(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000328994302 394559761 /nfs/dbraw/zinc/55/97/61/394559761.db2.gz GEJIUISBTAJPMQ-LBPRGKRZSA-N 1 2 271.368 2.165 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)n1 ZINC000356225878 394565404 /nfs/dbraw/zinc/56/54/04/394565404.db2.gz VWCBUDRSVXSYIC-GFCCVEGCSA-N 1 2 273.365 2.048 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](n3cccn3)C2)n1 ZINC000356225878 394565409 /nfs/dbraw/zinc/56/54/09/394565409.db2.gz VWCBUDRSVXSYIC-GFCCVEGCSA-N 1 2 273.365 2.048 20 30 CEEDLO CC(C)(C)c1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000092936417 394663608 /nfs/dbraw/zinc/66/36/08/394663608.db2.gz SCHGMYWNQJDYFN-UHFFFAOYSA-N 1 2 278.425 2.082 20 30 CEEDLO CN(C)C(=O)[C@@H]1CCC[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000265110548 394645218 /nfs/dbraw/zinc/64/52/18/394645218.db2.gz DLNRETKJKDCALS-MVCPHERQSA-N 1 2 274.364 2.458 20 30 CEEDLO Cc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC000268283157 394692163 /nfs/dbraw/zinc/69/21/63/394692163.db2.gz GQBKEAPVWOFHGH-GJZGRUSLSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC000268283157 394692166 /nfs/dbraw/zinc/69/21/66/394692166.db2.gz GQBKEAPVWOFHGH-GJZGRUSLSA-N 1 2 276.380 2.277 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000269558790 394718930 /nfs/dbraw/zinc/71/89/30/394718930.db2.gz KFCKARHXOIVQNC-KGLIPLIRSA-N 1 2 285.391 2.051 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000269558790 394718935 /nfs/dbraw/zinc/71/89/35/394718935.db2.gz KFCKARHXOIVQNC-KGLIPLIRSA-N 1 2 285.391 2.051 20 30 CEEDLO CC[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000119251522 394766105 /nfs/dbraw/zinc/76/61/05/394766105.db2.gz UJMYZCKNDISYEJ-NSHDSACASA-N 1 2 298.390 2.445 20 30 CEEDLO C=C(CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000360222207 394794098 /nfs/dbraw/zinc/79/40/98/394794098.db2.gz QKVGJVTWZCZKLQ-HNNXBMFYSA-N 1 2 281.359 2.275 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)C(F)(F)F ZINC000121358284 394796650 /nfs/dbraw/zinc/79/66/50/394796650.db2.gz LURXIPWLVGHKMY-VIFPVBQESA-N 1 2 252.280 2.171 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)C(F)(F)F ZINC000121358284 394796654 /nfs/dbraw/zinc/79/66/54/394796654.db2.gz LURXIPWLVGHKMY-VIFPVBQESA-N 1 2 252.280 2.171 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(CC#N)cc1 ZINC000336387409 394850787 /nfs/dbraw/zinc/85/07/87/394850787.db2.gz NCZPYWLTWFXGRB-UHFFFAOYSA-N 1 2 251.289 2.130 20 30 CEEDLO C#CCCCCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000362272790 394851876 /nfs/dbraw/zinc/85/18/76/394851876.db2.gz JRJOZBNXHHTTNZ-AWEZNQCLSA-N 1 2 273.380 2.379 20 30 CEEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)CC1(C#N)CC1 ZINC000338317894 394913539 /nfs/dbraw/zinc/91/35/39/394913539.db2.gz XSPQSIPLNDZEIW-UHFFFAOYSA-N 1 2 291.420 2.298 20 30 CEEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)CC1(C#N)CC1 ZINC000338317894 394913542 /nfs/dbraw/zinc/91/35/42/394913542.db2.gz XSPQSIPLNDZEIW-UHFFFAOYSA-N 1 2 291.420 2.298 20 30 CEEDLO Fc1ccc(C#CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000152372342 394995325 /nfs/dbraw/zinc/99/53/25/394995325.db2.gz AMOVZHBUKGJKBC-UHFFFAOYSA-N 1 2 295.361 2.394 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](C)[S@]1=O ZINC000285986486 394995815 /nfs/dbraw/zinc/99/58/15/394995815.db2.gz OFZZKCHPIAWANN-KPAZRMRSSA-N 1 2 276.405 2.290 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](C)[S@]1=O ZINC000285986486 394995819 /nfs/dbraw/zinc/99/58/19/394995819.db2.gz OFZZKCHPIAWANN-KPAZRMRSSA-N 1 2 276.405 2.290 20 30 CEEDLO COCc1cnc(C[NH+]2CCC(C#N)(COC)CC2)s1 ZINC000342838485 395024404 /nfs/dbraw/zinc/02/44/04/395024404.db2.gz MCQRKQGNBJOFDW-UHFFFAOYSA-N 1 2 295.408 2.042 20 30 CEEDLO COc1cc(N[C@H]2CCC[N@H+](CCC#N)C2)cc(OC)c1 ZINC000155115124 395025549 /nfs/dbraw/zinc/02/55/49/395025549.db2.gz PKMYNXDWKANRCK-ZDUSSCGKSA-N 1 2 289.379 2.494 20 30 CEEDLO COc1cc(N[C@H]2CCC[N@@H+](CCC#N)C2)cc(OC)c1 ZINC000155115124 395025552 /nfs/dbraw/zinc/02/55/52/395025552.db2.gz PKMYNXDWKANRCK-ZDUSSCGKSA-N 1 2 289.379 2.494 20 30 CEEDLO NC(CCO)=[NH+]OCc1csc(C2CCCCC2)n1 ZINC000136065711 394969524 /nfs/dbraw/zinc/96/95/24/394969524.db2.gz GHTITSOPCMFXJV-UHFFFAOYSA-N 1 2 283.397 2.362 20 30 CEEDLO C[C@@H](O[NH+]=C(N)CCO)c1ncc(-c2ccccc2)o1 ZINC000136066113 394969612 /nfs/dbraw/zinc/96/96/12/394969612.db2.gz SOXFATCQKDTQDP-SNVBAGLBSA-N 1 2 275.308 2.074 20 30 CEEDLO Cc1cc(NCCCc2ccc(O)cc2)c(C#N)c[nH+]1 ZINC000425235131 395053370 /nfs/dbraw/zinc/05/33/70/395053370.db2.gz ORXVEYLFUUTESM-UHFFFAOYSA-N 1 2 267.332 2.434 20 30 CEEDLO Cc1cc(NC[C@H](O)CCc2ccccc2)c(C#N)c[nH+]1 ZINC000425245043 395054057 /nfs/dbraw/zinc/05/40/57/395054057.db2.gz IJNKGRREEYPVKW-MRXNPFEDSA-N 1 2 281.359 2.089 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC1(C#N)CCC1 ZINC000416347700 395055812 /nfs/dbraw/zinc/05/58/12/395055812.db2.gz QFGOVFSDBZFHLV-UHFFFAOYSA-N 1 2 296.374 2.409 20 30 CEEDLO C=C(CNc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1 ZINC000288550418 395062502 /nfs/dbraw/zinc/06/25/02/395062502.db2.gz YTAARJGVAKEKRJ-UHFFFAOYSA-N 1 2 296.374 2.439 20 30 CEEDLO C=C(CNc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1 ZINC000288550418 395062505 /nfs/dbraw/zinc/06/25/05/395062505.db2.gz YTAARJGVAKEKRJ-UHFFFAOYSA-N 1 2 296.374 2.439 20 30 CEEDLO C#Cc1ccc(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000289211357 395072407 /nfs/dbraw/zinc/07/24/07/395072407.db2.gz IPFGUZLZVDCUEK-GFCCVEGCSA-N 1 2 285.347 2.390 20 30 CEEDLO C#Cc1ccc(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)cc1 ZINC000289211357 395072409 /nfs/dbraw/zinc/07/24/09/395072409.db2.gz IPFGUZLZVDCUEK-GFCCVEGCSA-N 1 2 285.347 2.390 20 30 CEEDLO C=C[C@@H](CO)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000289701112 395083607 /nfs/dbraw/zinc/08/36/07/395083607.db2.gz IPQKJOOJDMLLHF-CBAPKCEASA-N 1 2 289.148 2.181 20 30 CEEDLO C=C(C)CN1CC[N@H+](CC(=C)C)[C@H](c2cnn(C)c2)C1 ZINC000372345424 395040817 /nfs/dbraw/zinc/04/08/17/395040817.db2.gz GIQCVAZNROTVTB-INIZCTEOSA-N 1 2 274.412 2.231 20 30 CEEDLO C=C(C)CN1CC[N@@H+](CC(=C)C)[C@H](c2cnn(C)c2)C1 ZINC000372345424 395040818 /nfs/dbraw/zinc/04/08/18/395040818.db2.gz GIQCVAZNROTVTB-INIZCTEOSA-N 1 2 274.412 2.231 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)nn1 ZINC000424296265 395043300 /nfs/dbraw/zinc/04/33/00/395043300.db2.gz OBKDWKBNXIZMDQ-LLVKDONJSA-N 1 2 285.326 2.326 20 30 CEEDLO C=CCCC[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000372730298 395045804 /nfs/dbraw/zinc/04/58/04/395045804.db2.gz PETYCSCCUVVLIU-CYBMUJFWSA-N 1 2 265.378 2.413 20 30 CEEDLO C=CCCC[N@H+](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000372730298 395045806 /nfs/dbraw/zinc/04/58/06/395045806.db2.gz PETYCSCCUVVLIU-CYBMUJFWSA-N 1 2 265.378 2.413 20 30 CEEDLO CCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OCC ZINC000174048359 395119207 /nfs/dbraw/zinc/11/92/07/395119207.db2.gz ZFWRFRTZWFVUKP-OAHLLOKOSA-N 1 2 290.363 2.410 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000376049846 395107827 /nfs/dbraw/zinc/10/78/27/395107827.db2.gz GZUATNYSMKKXHG-INIZCTEOSA-N 1 2 286.379 2.060 20 30 CEEDLO CC[C@@](C)(C#N)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000348879199 395153978 /nfs/dbraw/zinc/15/39/78/395153978.db2.gz BIKYARKHXGHVTN-RISCZKNCSA-N 1 2 278.356 2.043 20 30 CEEDLO CC[C@@](C)(C#N)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000348879199 395153985 /nfs/dbraw/zinc/15/39/85/395153985.db2.gz BIKYARKHXGHVTN-RISCZKNCSA-N 1 2 278.356 2.043 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnccn1 ZINC000177858269 395156807 /nfs/dbraw/zinc/15/68/07/395156807.db2.gz SFMWRWHDUAPTKH-JTQLQIEISA-N 1 2 256.284 2.338 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)Cc1c(F)cccc1C#N ZINC000352924507 395278612 /nfs/dbraw/zinc/27/86/12/395278612.db2.gz JZIXJWXDQPFWPP-UHFFFAOYSA-N 1 2 283.306 2.258 20 30 CEEDLO C=CCCCN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411253844 395325327 /nfs/dbraw/zinc/32/53/27/395325327.db2.gz HECOUKORSYZLKM-UHFFFAOYSA-N 1 2 289.379 2.370 20 30 CEEDLO C=CCOCC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000354310768 395325436 /nfs/dbraw/zinc/32/54/36/395325436.db2.gz GCILLKCQWMPAKI-UHFFFAOYSA-N 1 2 276.380 2.222 20 30 CEEDLO C=CCOCC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000354310768 395325442 /nfs/dbraw/zinc/32/54/42/395325442.db2.gz GCILLKCQWMPAKI-UHFFFAOYSA-N 1 2 276.380 2.222 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCCC12CCCC2)C(=O)OC ZINC000353284554 395292841 /nfs/dbraw/zinc/29/28/41/395292841.db2.gz FWAFHAKMZWPASL-ZIAGYGMSSA-N 1 2 281.396 2.433 20 30 CEEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411339280 395326913 /nfs/dbraw/zinc/32/69/13/395326913.db2.gz LRPYLPKJJNFMID-UHFFFAOYSA-N 1 2 289.379 2.370 20 30 CEEDLO CCC[C@H](C#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410832864 395311855 /nfs/dbraw/zinc/31/18/55/395311855.db2.gz FDJRRWXETORVQT-GFCCVEGCSA-N 1 2 287.354 2.114 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000411316982 395327256 /nfs/dbraw/zinc/32/72/56/395327256.db2.gz NJWUYTKTEWJLSH-STQMWFEESA-N 1 2 294.420 2.382 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000411316982 395327258 /nfs/dbraw/zinc/32/72/58/395327258.db2.gz NJWUYTKTEWJLSH-STQMWFEESA-N 1 2 294.420 2.382 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@@](C)(O)C(C)=O ZINC000411188330 395321861 /nfs/dbraw/zinc/32/18/61/395321861.db2.gz LNKQXLZRCFIACS-OAHLLOKOSA-N 1 2 265.328 2.154 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@@](C)(O)C(C)=O ZINC000411188330 395321868 /nfs/dbraw/zinc/32/18/68/395321868.db2.gz LNKQXLZRCFIACS-OAHLLOKOSA-N 1 2 265.328 2.154 20 30 CEEDLO CC(C)n1nccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352469082 395256717 /nfs/dbraw/zinc/25/67/17/395256717.db2.gz VVQSFLYXGYYIAX-UHFFFAOYSA-N 1 2 250.321 2.292 20 30 CEEDLO CC[C@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183801601 395262137 /nfs/dbraw/zinc/26/21/37/395262137.db2.gz VMWRUFWWEFZXDH-CYBMUJFWSA-N 1 2 268.320 2.294 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000354343534 395328405 /nfs/dbraw/zinc/32/84/05/395328405.db2.gz NUALTPIJEJCVSH-SWLSCSKDSA-N 1 2 274.368 2.125 20 30 CEEDLO C=CCOCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411923323 395341452 /nfs/dbraw/zinc/34/14/52/395341452.db2.gz NUBBUONYEQEPKY-GFCCVEGCSA-N 1 2 269.385 2.384 20 30 CEEDLO C=CCOCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411923323 395341455 /nfs/dbraw/zinc/34/14/55/395341455.db2.gz NUBBUONYEQEPKY-GFCCVEGCSA-N 1 2 269.385 2.384 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000191116552 395350173 /nfs/dbraw/zinc/35/01/73/395350173.db2.gz GMCLRIZHLALQGF-CYBMUJFWSA-N 1 2 287.363 2.020 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000191116552 395350175 /nfs/dbraw/zinc/35/01/75/395350175.db2.gz GMCLRIZHLALQGF-CYBMUJFWSA-N 1 2 287.363 2.020 20 30 CEEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1cccs1 ZINC000195315803 395464415 /nfs/dbraw/zinc/46/44/15/395464415.db2.gz HDTDMDBASAVSEU-LLVKDONJSA-N 1 2 277.393 2.161 20 30 CEEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000193269391 395405880 /nfs/dbraw/zinc/40/58/80/395405880.db2.gz DAGSFEAWZFUVKH-KGLIPLIRSA-N 1 2 286.379 2.412 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1ncccc1C#N)C1CC1 ZINC000573311616 395605117 /nfs/dbraw/zinc/60/51/17/395605117.db2.gz MKGDOPPDIZRMNW-GFCCVEGCSA-N 1 2 253.309 2.250 20 30 CEEDLO C=C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000568191080 395550414 /nfs/dbraw/zinc/55/04/14/395550414.db2.gz YTSGJAGALRHWNB-UHFFFAOYSA-N 1 2 255.321 2.435 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1cccn1C)C(=O)OCC ZINC000449654860 395559223 /nfs/dbraw/zinc/55/92/23/395559223.db2.gz FRCUTPKZQLKWQR-ZDUSSCGKSA-N 1 2 250.342 2.013 20 30 CEEDLO Cc1cc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2[nH]1 ZINC000570676026 395583068 /nfs/dbraw/zinc/58/30/68/395583068.db2.gz GMROUXYSPBDCML-OAHLLOKOSA-N 1 2 286.379 2.095 20 30 CEEDLO Cc1cc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2[nH]1 ZINC000570676026 395583069 /nfs/dbraw/zinc/58/30/69/395583069.db2.gz GMROUXYSPBDCML-OAHLLOKOSA-N 1 2 286.379 2.095 20 30 CEEDLO CC(C)(C(=O)NCc1ccc(C#N)c(F)c1)c1c[nH]c[nH+]1 ZINC000456836509 395634234 /nfs/dbraw/zinc/63/42/34/395634234.db2.gz LNOOHZIOFPCNDX-UHFFFAOYSA-N 1 2 286.310 2.014 20 30 CEEDLO CC[C@H](C)[N@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459476229 395666108 /nfs/dbraw/zinc/66/61/08/395666108.db2.gz HEDCNEIGLQEPEO-NSHDSACASA-N 1 2 277.324 2.059 20 30 CEEDLO CC[C@H](C)[N@@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459476229 395666109 /nfs/dbraw/zinc/66/61/09/395666109.db2.gz HEDCNEIGLQEPEO-NSHDSACASA-N 1 2 277.324 2.059 20 30 CEEDLO COC[C@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459503812 395666128 /nfs/dbraw/zinc/66/61/28/395666128.db2.gz GCUVEXYYSJGWTR-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO COC[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459503812 395666129 /nfs/dbraw/zinc/66/61/29/395666129.db2.gz GCUVEXYYSJGWTR-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO C[N@H+](CC[C@@H]1CCCO1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459430745 395666166 /nfs/dbraw/zinc/66/61/66/395666166.db2.gz LKZPIPWTVKCJPV-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO C[N@@H+](CC[C@@H]1CCCO1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459430745 395666167 /nfs/dbraw/zinc/66/61/67/395666167.db2.gz LKZPIPWTVKCJPV-ZDUSSCGKSA-N 1 2 289.335 2.467 20 30 CEEDLO CS[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459510460 395666275 /nfs/dbraw/zinc/66/62/75/395666275.db2.gz LZLGMFZSFPPJJB-LLVKDONJSA-N 1 2 277.349 2.404 20 30 CEEDLO CS[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459510460 395666276 /nfs/dbraw/zinc/66/62/76/395666276.db2.gz LZLGMFZSFPPJJB-LLVKDONJSA-N 1 2 277.349 2.404 20 30 CEEDLO Cc1ccc(N2CC[C@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000159839864 292137938 /nfs/dbraw/zinc/13/79/38/292137938.db2.gz JBNXNDNGSRWFBV-INIZCTEOSA-N 1 2 283.375 2.336 20 30 CEEDLO N#Cc1c(NCc2cn3ccccc3[nH+]2)nc2ccccn12 ZINC000359833394 155146173 /nfs/dbraw/zinc/14/61/73/155146173.db2.gz NIQKDTSLNYLLQN-UHFFFAOYSA-N 1 2 288.314 2.466 20 30 CEEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000360013059 155192278 /nfs/dbraw/zinc/19/22/78/155192278.db2.gz DZYDLCJQMYUVTB-ZDUSSCGKSA-N 1 2 262.309 2.069 20 30 CEEDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000360013059 155192279 /nfs/dbraw/zinc/19/22/79/155192279.db2.gz DZYDLCJQMYUVTB-ZDUSSCGKSA-N 1 2 262.309 2.069 20 30 CEEDLO C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000354727779 154346673 /nfs/dbraw/zinc/34/66/73/154346673.db2.gz HGFYDHNHEJCWJY-XOKHGSTOSA-N 1 2 286.375 2.499 20 30 CEEDLO C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)O1 ZINC000354727779 154346677 /nfs/dbraw/zinc/34/66/77/154346677.db2.gz HGFYDHNHEJCWJY-XOKHGSTOSA-N 1 2 286.375 2.499 20 30 CEEDLO Cc1cn2cc(NC(=O)c3ccc(C#N)nc3)ccc2[nH+]1 ZINC000359455931 155021674 /nfs/dbraw/zinc/02/16/74/155021674.db2.gz HSYMGZRCOIGZPT-UHFFFAOYSA-N 1 2 277.287 2.162 20 30 CEEDLO N#Cc1ccc(OCC[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000367601906 156213595 /nfs/dbraw/zinc/21/35/95/156213595.db2.gz QHVCPSISERVGTC-HNNXBMFYSA-N 1 2 282.347 2.327 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccncc1C#N ZINC000376390744 157213993 /nfs/dbraw/zinc/21/39/93/157213993.db2.gz FXXITZZRPHPIQQ-UHFFFAOYSA-N 1 2 267.336 2.122 20 30 CEEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccncc1C#N ZINC000548482389 298414177 /nfs/dbraw/zinc/41/41/77/298414177.db2.gz SMEIRTOXYBWTRT-UHFFFAOYSA-N 1 2 291.358 2.307 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(F)c1 ZINC000285303343 196245867 /nfs/dbraw/zinc/24/58/67/196245867.db2.gz LKPBUQMOZUEDMY-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(F)c1 ZINC000285303343 196245868 /nfs/dbraw/zinc/24/58/68/196245868.db2.gz LKPBUQMOZUEDMY-MRXNPFEDSA-N 1 2 290.338 2.079 20 30 CEEDLO CC[N@@H+](Cc1ccc(C(=O)OC)cc1)C[C@H](C)C#N ZINC000042287670 174674655 /nfs/dbraw/zinc/67/46/55/174674655.db2.gz ZQLBRKMMBYKIFP-GFCCVEGCSA-N 1 2 260.337 2.455 20 30 CEEDLO CC[N@H+](Cc1ccc(C(=O)OC)cc1)C[C@H](C)C#N ZINC000042287670 174674656 /nfs/dbraw/zinc/67/46/56/174674656.db2.gz ZQLBRKMMBYKIFP-GFCCVEGCSA-N 1 2 260.337 2.455 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)nn1 ZINC000653557116 415035469 /nfs/dbraw/zinc/03/54/69/415035469.db2.gz CIGTXYVMVKFARU-VXGBXAGGSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)nn1 ZINC000653557116 415035471 /nfs/dbraw/zinc/03/54/71/415035471.db2.gz CIGTXYVMVKFARU-VXGBXAGGSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CC[N@H+](Cc1nc(CC(C)C)no1)[C@@H](C)COC ZINC000661245422 415153615 /nfs/dbraw/zinc/15/36/15/415153615.db2.gz BCQCIIXIWNOKFV-LBPRGKRZSA-N 1 2 267.373 2.291 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CC(C)C)no1)[C@@H](C)COC ZINC000661245422 415153619 /nfs/dbraw/zinc/15/36/19/415153619.db2.gz BCQCIIXIWNOKFV-LBPRGKRZSA-N 1 2 267.373 2.291 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000661384208 415235685 /nfs/dbraw/zinc/23/56/85/415235685.db2.gz HRPKZGMVDCRVFU-SNVBAGLBSA-N 1 2 289.305 2.024 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000661384208 415235688 /nfs/dbraw/zinc/23/56/88/415235688.db2.gz HRPKZGMVDCRVFU-SNVBAGLBSA-N 1 2 289.305 2.024 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000661376908 415230216 /nfs/dbraw/zinc/23/02/16/415230216.db2.gz KRJNNIHGSIUYBJ-AWEZNQCLSA-N 1 2 264.413 2.369 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661507681 415301988 /nfs/dbraw/zinc/30/19/88/415301988.db2.gz ARQRSVUCYXBIQI-HUUCEWRRSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661507681 415301995 /nfs/dbraw/zinc/30/19/95/415301995.db2.gz ARQRSVUCYXBIQI-HUUCEWRRSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000661565991 415330478 /nfs/dbraw/zinc/33/04/78/415330478.db2.gz VZLSKCZPTLTAFO-NSHDSACASA-N 1 2 262.357 2.089 20 30 CEEDLO C=CCCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000661570288 415333062 /nfs/dbraw/zinc/33/30/62/415333062.db2.gz MCLKFKHEXVOLOA-UHFFFAOYSA-N 1 2 291.370 2.229 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661738220 415435697 /nfs/dbraw/zinc/43/56/97/415435697.db2.gz YTMZIHZQXOSYFD-OAHLLOKOSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661738220 415435704 /nfs/dbraw/zinc/43/57/04/415435704.db2.gz YTMZIHZQXOSYFD-OAHLLOKOSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CC[N@@H+](Cc1nnn(C(C)(C)C)n1)C(C)(C)C ZINC000661757977 415448848 /nfs/dbraw/zinc/44/88/48/415448848.db2.gz MXSKCLACORONGD-UHFFFAOYSA-N 1 2 251.378 2.215 20 30 CEEDLO C=CC[N@H+](Cc1nnn(C(C)(C)C)n1)C(C)(C)C ZINC000661757977 415448852 /nfs/dbraw/zinc/44/88/52/415448852.db2.gz MXSKCLACORONGD-UHFFFAOYSA-N 1 2 251.378 2.215 20 30 CEEDLO C=C(CC)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656252837 415661760 /nfs/dbraw/zinc/66/17/60/415661760.db2.gz GSMDYMGETISZDH-CYBMUJFWSA-N 1 2 262.357 2.196 20 30 CEEDLO C[C@H](c1ccco1)[N@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346977244 226002675 /nfs/dbraw/zinc/00/26/75/226002675.db2.gz IHXXCCAFZYVACQ-GFCCVEGCSA-N 1 2 287.363 2.367 20 30 CEEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346977244 226002681 /nfs/dbraw/zinc/00/26/81/226002681.db2.gz IHXXCCAFZYVACQ-GFCCVEGCSA-N 1 2 287.363 2.367 20 30 CEEDLO O=C(C[C@H]1CCOC1)NCc1cn2c([nH+]1)CCCC2 ZINC000330202471 228064261 /nfs/dbraw/zinc/06/42/61/228064261.db2.gz ZIQCOHGUJSOVAI-LLVKDONJSA-N 1 2 263.341 2.103 20 30 CEEDLO [O-]C(N[C@H]1CCCC(F)(F)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330282487 228091964 /nfs/dbraw/zinc/09/19/64/228091964.db2.gz VIQPKWNRRWVRLG-MNOVXSKESA-N 1 2 298.337 2.279 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCC(F)(F)C1 ZINC000330282487 228091966 /nfs/dbraw/zinc/09/19/66/228091966.db2.gz VIQPKWNRRWVRLG-MNOVXSKESA-N 1 2 298.337 2.279 20 30 CEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000336240282 228220123 /nfs/dbraw/zinc/22/01/23/228220123.db2.gz AHXZFNSOGIJTDL-BMIGLBTASA-N 1 2 284.294 2.500 20 30 CEEDLO CCC1(CNC(=O)N2CCC(C#N)([NH+](C)C)CC2)CCC1 ZINC000332498536 260014214 /nfs/dbraw/zinc/01/42/14/260014214.db2.gz VAMCWYGZQPDWBO-UHFFFAOYSA-N 1 2 292.427 2.196 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CC(OCC)C2)cc1OC ZINC000297399007 260125649 /nfs/dbraw/zinc/12/56/49/260125649.db2.gz KGHVFBXAOYUAHB-UHFFFAOYSA-N 1 2 277.364 2.481 20 30 CEEDLO Cc1noc(C)c1CO[NH+]=C(N)COc1ccccc1 ZINC000067771531 260252979 /nfs/dbraw/zinc/25/29/79/260252979.db2.gz URMRCNMWPFFKFB-UHFFFAOYSA-N 1 2 275.308 2.159 20 30 CEEDLO NC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177124191 261335692 /nfs/dbraw/zinc/33/56/92/261335692.db2.gz PVYMXWMSGIXCLL-CYBMUJFWSA-N 1 2 296.292 2.007 20 30 CEEDLO NC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177124191 261335695 /nfs/dbraw/zinc/33/56/95/261335695.db2.gz PVYMXWMSGIXCLL-CYBMUJFWSA-N 1 2 296.292 2.007 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000184089677 262008435 /nfs/dbraw/zinc/00/84/35/262008435.db2.gz PEBMNGSWYPXYFM-LLVKDONJSA-N 1 2 293.323 2.394 20 30 CEEDLO FC(F)C(F)(F)CNCc1[nH+]ccn1CC(F)(F)F ZINC000191769987 262195375 /nfs/dbraw/zinc/19/53/75/262195375.db2.gz MOAQNCSDOGKCDH-UHFFFAOYSA-N 1 2 293.186 2.435 20 30 CEEDLO C=CCCCCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000364291161 262196423 /nfs/dbraw/zinc/19/64/23/262196423.db2.gz KQLGQJXAIODKGX-UHFFFAOYSA-N 1 2 293.455 2.019 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336826120 262398231 /nfs/dbraw/zinc/39/82/31/262398231.db2.gz HZHZZMOKXGKBLA-MNOVXSKESA-N 1 2 291.317 2.021 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336826120 262398233 /nfs/dbraw/zinc/39/82/33/262398233.db2.gz HZHZZMOKXGKBLA-MNOVXSKESA-N 1 2 291.317 2.021 20 30 CEEDLO C[C@H](N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)C(F)(F)F ZINC000339013693 262583106 /nfs/dbraw/zinc/58/31/06/262583106.db2.gz MYHPKUBPRIZZTA-QJPTWQEYSA-N 1 2 275.318 2.247 20 30 CEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411256001 262685888 /nfs/dbraw/zinc/68/58/88/262685888.db2.gz HOCAPABFEZVGKW-UONOGXRCSA-N 1 2 294.395 2.113 20 30 CEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411256001 262685889 /nfs/dbraw/zinc/68/58/89/262685889.db2.gz HOCAPABFEZVGKW-UONOGXRCSA-N 1 2 294.395 2.113 20 30 CEEDLO CCN(CCC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264063676 262862318 /nfs/dbraw/zinc/86/23/18/262862318.db2.gz WSZWHMDUJMRGFB-UHFFFAOYSA-N 1 2 282.347 2.307 20 30 CEEDLO COCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccco1 ZINC000272537928 263006117 /nfs/dbraw/zinc/00/61/17/263006117.db2.gz 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CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000459456666 331282188 /nfs/dbraw/zinc/28/21/88/331282188.db2.gz CFFCKKDICOPTEX-PEYYIBSZSA-N 1 2 299.374 2.498 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000489438746 332052413 /nfs/dbraw/zinc/05/24/13/332052413.db2.gz PQKZZZGKPRCNDM-SNVBAGLBSA-N 1 2 251.355 2.122 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nccs1 ZINC000489438746 332052414 /nfs/dbraw/zinc/05/24/14/332052414.db2.gz PQKZZZGKPRCNDM-SNVBAGLBSA-N 1 2 251.355 2.122 20 30 CEEDLO C#C[C@@H](CC)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000490720337 332108989 /nfs/dbraw/zinc/10/89/89/332108989.db2.gz QXQBNYDARXOCEZ-JTQLQIEISA-N 1 2 291.301 2.151 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000490739379 332110237 /nfs/dbraw/zinc/11/02/37/332110237.db2.gz HYPZCESXWUNYJU-VIFPVBQESA-N 1 2 291.301 2.103 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000491166272 332160243 /nfs/dbraw/zinc/16/02/43/332160243.db2.gz QLQWDASAHLFNMO-UHFFFAOYSA-N 1 2 265.744 2.017 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000491166272 332160245 /nfs/dbraw/zinc/16/02/45/332160245.db2.gz QLQWDASAHLFNMO-UHFFFAOYSA-N 1 2 265.744 2.017 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000491405793 332206015 /nfs/dbraw/zinc/20/60/15/332206015.db2.gz KOQXUPRTPUSHEL-NSHDSACASA-N 1 2 280.393 2.091 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000491405793 332206016 /nfs/dbraw/zinc/20/60/16/332206016.db2.gz KOQXUPRTPUSHEL-NSHDSACASA-N 1 2 280.393 2.091 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000491473210 332217500 /nfs/dbraw/zinc/21/75/00/332217500.db2.gz BOWJUGQUSMXPCQ-UHFFFAOYSA-N 1 2 299.370 2.469 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000491617768 332244565 /nfs/dbraw/zinc/24/45/65/332244565.db2.gz KWYNMOHAZHSKIV-CQSZACIVSA-N 1 2 298.390 2.446 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000491625076 332249049 /nfs/dbraw/zinc/24/90/49/332249049.db2.gz KCYLWENQCCLNIP-HNNXBMFYSA-N 1 2 299.418 2.487 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000491625076 332249051 /nfs/dbraw/zinc/24/90/51/332249051.db2.gz KCYLWENQCCLNIP-HNNXBMFYSA-N 1 2 299.418 2.487 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000491635629 332256771 /nfs/dbraw/zinc/25/67/71/332256771.db2.gz KVVPMXMHRGBAPK-OAHLLOKOSA-N 1 2 252.317 2.069 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000491635629 332256772 /nfs/dbraw/zinc/25/67/72/332256772.db2.gz KVVPMXMHRGBAPK-OAHLLOKOSA-N 1 2 252.317 2.069 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cnnn1CC)c1ccc(Cl)cc1 ZINC000491678371 332282972 /nfs/dbraw/zinc/28/29/72/332282972.db2.gz BAFALAMPNOEKCF-AWEZNQCLSA-N 1 2 274.755 2.416 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000491679864 332283699 /nfs/dbraw/zinc/28/36/99/332283699.db2.gz YBUBHSDISLQUEJ-UHFFFAOYSA-N 1 2 258.365 2.488 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000491679864 332283700 /nfs/dbraw/zinc/28/37/00/332283700.db2.gz YBUBHSDISLQUEJ-UHFFFAOYSA-N 1 2 258.365 2.488 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000491690997 332287792 /nfs/dbraw/zinc/28/77/92/332287792.db2.gz FDZZFXAPGBZQBB-UHFFFAOYSA-N 1 2 261.247 2.018 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000491740890 332319917 /nfs/dbraw/zinc/31/99/17/332319917.db2.gz RGAGQPANZBNHIU-OLZOCXBDSA-N 1 2 288.395 2.315 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000491764453 332333204 /nfs/dbraw/zinc/33/32/04/332333204.db2.gz AOYYCBVDYLAFGN-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000491764453 332333205 /nfs/dbraw/zinc/33/32/05/332333205.db2.gz AOYYCBVDYLAFGN-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CCCC1 ZINC000491773807 332339783 /nfs/dbraw/zinc/33/97/83/332339783.db2.gz CQARSWMHRHAMQP-ZDUSSCGKSA-N 1 2 259.353 2.239 20 30 CEEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000491792828 332353092 /nfs/dbraw/zinc/35/30/92/332353092.db2.gz HPAMSDDXDYYYOB-ABAIWWIYSA-N 1 2 285.322 2.218 20 30 CEEDLO C#C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000491792828 332353094 /nfs/dbraw/zinc/35/30/94/332353094.db2.gz HPAMSDDXDYYYOB-ABAIWWIYSA-N 1 2 285.322 2.218 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000491809429 332362324 /nfs/dbraw/zinc/36/23/24/332362324.db2.gz GLJHUOJLBSJQPU-CYBMUJFWSA-N 1 2 282.347 2.035 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)C1CC1 ZINC000491820863 332370433 /nfs/dbraw/zinc/37/04/33/332370433.db2.gz TWLLSFNNJGRWIQ-OAHLLOKOSA-N 1 2 257.333 2.073 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)C1CC1 ZINC000491820863 332370434 /nfs/dbraw/zinc/37/04/34/332370434.db2.gz TWLLSFNNJGRWIQ-OAHLLOKOSA-N 1 2 257.333 2.073 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH+]2CC(C)(C#N)C2)C1 ZINC000496712773 332557767 /nfs/dbraw/zinc/55/77/67/332557767.db2.gz AUFHHMRIBGZEFJ-CYBMUJFWSA-N 1 2 293.411 2.479 20 30 CEEDLO CSc1ccsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575805815 335117352 /nfs/dbraw/zinc/11/73/52/335117352.db2.gz OPVWEPNWFGOALN-LBPRGKRZSA-N 1 2 283.422 2.044 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176858807 333049273 /nfs/dbraw/zinc/04/92/73/333049273.db2.gz RCOBCLXSWSSOKZ-LBPRGKRZSA-N 1 2 264.373 2.303 20 30 CEEDLO N#CCC1(O)C[NH+](Cc2ccc3ccccc3c2)C1 ZINC000191915066 333227248 /nfs/dbraw/zinc/22/72/48/333227248.db2.gz CYANKPHCWARPAK-UHFFFAOYSA-N 1 2 252.317 2.300 20 30 CEEDLO COC[C@H](C)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000576071573 335149248 /nfs/dbraw/zinc/14/92/48/335149248.db2.gz KZVFIPMGTAHUKM-ILXRZTDVSA-N 1 2 266.385 2.196 20 30 CEEDLO COC[C@H](C)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000576071573 335149249 /nfs/dbraw/zinc/14/92/49/335149249.db2.gz KZVFIPMGTAHUKM-ILXRZTDVSA-N 1 2 266.385 2.196 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCCCCn1cc[nH+]c1 ZINC000539712306 333686857 /nfs/dbraw/zinc/68/68/57/333686857.db2.gz CLGGKLMFOOEXTA-ZDUSSCGKSA-N 1 2 264.373 2.317 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000540533302 333734220 /nfs/dbraw/zinc/73/42/20/333734220.db2.gz XJUYKFKRLVOACV-LBPRGKRZSA-N 1 2 285.351 2.137 20 30 CEEDLO N#CC1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCC1 ZINC000134549667 334094991 /nfs/dbraw/zinc/09/49/91/334094991.db2.gz DNURBPAHXHFHLT-UHFFFAOYSA-N 1 2 288.738 2.298 20 30 CEEDLO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1[N+](=O)[O-] ZINC000550762810 334228474 /nfs/dbraw/zinc/22/84/74/334228474.db2.gz AMEYOZXYOLKOER-LBPRGKRZSA-N 1 2 288.307 2.137 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566308176 334641876 /nfs/dbraw/zinc/64/18/76/334641876.db2.gz IWBNGPKSYFCORE-JTQLQIEISA-N 1 2 275.274 2.411 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)cc(Cl)c1 ZINC000566308249 334641929 /nfs/dbraw/zinc/64/19/29/334641929.db2.gz FQJKFBGNEFJFSY-CYBMUJFWSA-N 1 2 283.734 2.053 20 30 CEEDLO CC[C@@H]1CCCC[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309694 334642146 /nfs/dbraw/zinc/64/21/46/334642146.db2.gz RJEMDQNWFFUGEU-UMVBOHGHSA-N 1 2 265.401 2.163 20 30 CEEDLO CC[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(C)C ZINC000568399247 334822791 /nfs/dbraw/zinc/82/27/91/334822791.db2.gz GLJBJHFQQAGWHH-TZMCWYRMSA-N 1 2 253.390 2.019 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000577401122 335348906 /nfs/dbraw/zinc/34/89/06/335348906.db2.gz ZQFWPIMPKCHTPH-YJBOKZPZSA-N 1 2 299.418 2.457 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000577401120 335349047 /nfs/dbraw/zinc/34/90/47/335349047.db2.gz ZQFWPIMPKCHTPH-MAUKXSAKSA-N 1 2 299.418 2.457 20 30 CEEDLO COc1cc2c(c(C[NH2+]C[C@H](C)C#N)c1)O[C@@H](C)C2 ZINC000183831704 335908827 /nfs/dbraw/zinc/90/88/27/335908827.db2.gz LLQPQDJYXXUAAW-MNOVXSKESA-N 1 2 260.337 2.268 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(CC#N)cc2)c2[nH+]ccn21 ZINC000335159997 533938728 /nfs/dbraw/zinc/93/87/28/533938728.db2.gz SMCRFMUEFXKZRJ-RISCZKNCSA-N 1 2 280.331 2.385 20 30 CEEDLO C[C@@H]1CC[C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)O1 ZINC000330039153 534125092 /nfs/dbraw/zinc/12/50/92/534125092.db2.gz AVWSFDZQQASKQT-PWSUYJOCSA-N 1 2 263.341 2.243 20 30 CEEDLO CC#CCCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000185847786 519331881 /nfs/dbraw/zinc/33/18/81/519331881.db2.gz WEVJAGBVJWJJRV-CABCVRRESA-N 1 2 273.380 2.486 20 30 CEEDLO Cc1noc([C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000356053868 534479561 /nfs/dbraw/zinc/47/95/61/534479561.db2.gz BFBNXYRCYRPYCA-JTQLQIEISA-N 1 2 289.364 2.086 20 30 CEEDLO Cc1noc([C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000356053868 534479566 /nfs/dbraw/zinc/47/95/66/534479566.db2.gz BFBNXYRCYRPYCA-JTQLQIEISA-N 1 2 289.364 2.086 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1cccc(C#N)c1)C(C)C ZINC000049572842 520768330 /nfs/dbraw/zinc/76/83/30/520768330.db2.gz XNGAEZIDRIKJRC-UHFFFAOYSA-N 1 2 260.337 2.332 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1cccc(C#N)c1)C(C)C ZINC000049572842 520768333 /nfs/dbraw/zinc/76/83/33/520768333.db2.gz XNGAEZIDRIKJRC-UHFFFAOYSA-N 1 2 260.337 2.332 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)nc1)CCC2 ZINC000366686380 525940608 /nfs/dbraw/zinc/94/06/08/525940608.db2.gz JBPPWNOWDGWRHP-LBPRGKRZSA-N 1 2 267.336 2.448 20 30 CEEDLO C=CC[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000347205535 527578301 /nfs/dbraw/zinc/57/83/01/527578301.db2.gz QYBNBOVJDTVRHE-QMMMGPOBSA-N 1 2 256.147 2.418 20 30 CEEDLO C=CC[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000347205535 527578304 /nfs/dbraw/zinc/57/83/04/527578304.db2.gz QYBNBOVJDTVRHE-QMMMGPOBSA-N 1 2 256.147 2.418 20 30 CEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000353207956 527616173 /nfs/dbraw/zinc/61/61/73/527616173.db2.gz ZPKKDUDMGNBKLW-NSHDSACASA-N 1 2 295.333 2.211 20 30 CEEDLO CCOCCO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000157735843 528838955 /nfs/dbraw/zinc/83/89/55/528838955.db2.gz RNVJBCBCCCWGML-INIZCTEOSA-N 1 2 292.354 2.325 20 30 CEEDLO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000157735843 528838958 /nfs/dbraw/zinc/83/89/58/528838958.db2.gz RNVJBCBCCCWGML-INIZCTEOSA-N 1 2 292.354 2.325 20 30 CEEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1ccc(C)cn1 ZINC000727259378 574449819 /nfs/dbraw/zinc/44/98/19/574449819.db2.gz BNLMFFNNJCMEEQ-UHFFFAOYSA-N 1 2 291.380 2.367 20 30 CEEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787173 575234512 /nfs/dbraw/zinc/23/45/12/575234512.db2.gz FRUDZYNNTGBNJV-JTQLQIEISA-N 1 2 297.786 2.282 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727492358 574452453 /nfs/dbraw/zinc/45/24/53/574452453.db2.gz YEZMXILLHSHKBS-KGLIPLIRSA-N 1 2 293.411 2.395 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728569843 574467441 /nfs/dbraw/zinc/46/74/41/574467441.db2.gz QQCBESZAUNPGQC-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000728569843 574467442 /nfs/dbraw/zinc/46/74/42/574467442.db2.gz QQCBESZAUNPGQC-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO CC(C)c1nc(CO[NH+]=C(N)c2ccc(F)cc2)no1 ZINC000729264615 574484078 /nfs/dbraw/zinc/48/40/78/574484078.db2.gz UJALLNGHCOVNGX-UHFFFAOYSA-N 1 2 278.287 2.169 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000730095972 574501471 /nfs/dbraw/zinc/50/14/71/574501471.db2.gz WHBDQAWVNMPADP-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000730095972 574501472 /nfs/dbraw/zinc/50/14/72/574501472.db2.gz WHBDQAWVNMPADP-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO CC(=NNC(=S)N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000731561252 574598389 /nfs/dbraw/zinc/59/83/89/574598389.db2.gz WFPUWVUBLCESDU-UHFFFAOYSA-N 1 2 287.392 2.032 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1C ZINC000732067997 574611438 /nfs/dbraw/zinc/61/14/38/574611438.db2.gz PYRQLTBPSFXRCC-HNNXBMFYSA-N 1 2 272.348 2.040 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1C ZINC000732067997 574611439 /nfs/dbraw/zinc/61/14/39/574611439.db2.gz PYRQLTBPSFXRCC-HNNXBMFYSA-N 1 2 272.348 2.040 20 30 CEEDLO COC(=O)[C@H](C/[NH+]=C/c1ccc(O)c(O)c1O)CC(C)C ZINC000741463678 574987873 /nfs/dbraw/zinc/98/78/73/574987873.db2.gz HKEGBTLPLHCDNY-JRUYLCMPSA-N 1 2 295.335 2.058 20 30 CEEDLO CCc1nnc([C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)o1 ZINC000742353021 575015668 /nfs/dbraw/zinc/01/56/68/575015668.db2.gz LDOIFBLYRVDWHF-MRVPVSSYSA-N 1 2 278.287 2.169 20 30 CEEDLO C=CC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccncc1 ZINC000750880277 575277649 /nfs/dbraw/zinc/27/76/49/575277649.db2.gz RYZSZGMMUSAYEI-ZBFHGGJFSA-N 1 2 296.374 2.274 20 30 CEEDLO COC(=O)c1cc(C=NNc2cc[nH+]c3ccccc23)c[nH]1 ZINC000753166076 575321377 /nfs/dbraw/zinc/32/13/77/575321377.db2.gz WQETYGGWEHPIHC-UHFFFAOYSA-N 1 2 294.314 2.217 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C(F)F)o2)C1 ZINC000957336322 612991969 /nfs/dbraw/zinc/99/19/69/612991969.db2.gz RLVIIKSMDPCPAJ-UHFFFAOYSA-N 1 2 296.317 2.387 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(C)C1 ZINC000948905706 613279992 /nfs/dbraw/zinc/27/99/92/613279992.db2.gz AJQFBCBETMYTIF-PVARCSIZSA-N 1 2 296.414 2.381 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(C)C1 ZINC000948905706 613279994 /nfs/dbraw/zinc/27/99/94/613279994.db2.gz AJQFBCBETMYTIF-PVARCSIZSA-N 1 2 296.414 2.381 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC000950425491 613296124 /nfs/dbraw/zinc/29/61/24/613296124.db2.gz HZAZFULLNWBKLM-UHFFFAOYSA-N 1 2 287.407 2.421 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC000949314716 613320484 /nfs/dbraw/zinc/32/04/84/613320484.db2.gz PJKPLNSRYJSIJV-UHFFFAOYSA-N 1 2 273.380 2.032 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2coc(C)c2)C1 ZINC000969541336 613371995 /nfs/dbraw/zinc/37/19/95/613371995.db2.gz BUKLEJJLZCBMEM-LLVKDONJSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CC(C)C2)C1 ZINC000969476812 613372081 /nfs/dbraw/zinc/37/20/81/613372081.db2.gz RKAKPXISRUUOQK-ZYXZCXLHSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)noc2C)C1 ZINC000969271961 613372366 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C=CC[NH+]1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000948812828 613706891 /nfs/dbraw/zinc/70/68/91/613706891.db2.gz VJXBJYQXNMDYHP-UHFFFAOYSA-N 1 2 284.403 2.340 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000957280974 613710082 /nfs/dbraw/zinc/71/00/82/613710082.db2.gz IADATQORHVTZDU-ZDUSSCGKSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000957853199 613717364 /nfs/dbraw/zinc/71/73/64/613717364.db2.gz OKKDQDWVLVJYAT-UHFFFAOYSA-N 1 2 262.353 2.347 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972229826 613722369 /nfs/dbraw/zinc/72/23/69/613722369.db2.gz BYXUOXRPDAQDHX-KRWDZBQOSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972229826 613722371 /nfs/dbraw/zinc/72/23/71/613722371.db2.gz BYXUOXRPDAQDHX-KRWDZBQOSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC1CCN(c2cc(N[C@H](CC)CO)[nH+]cn2)CC1 ZINC000892459663 625518827 /nfs/dbraw/zinc/51/88/27/625518827.db2.gz GGUOKZYGRIGVHC-CYBMUJFWSA-N 1 2 276.384 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LIUKELJSGAEOIF-OAHLLOKOSA-N 1 2 295.390 2.293 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCCOC(C)(C)C)cc1 ZINC000050957165 623546697 /nfs/dbraw/zinc/54/66/97/623546697.db2.gz ORSJBMNVTBGKMZ-UHFFFAOYSA-N 1 2 266.341 2.147 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001024586263 625684785 /nfs/dbraw/zinc/68/47/85/625684785.db2.gz MPUOZYQADMFMMQ-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001024586263 625684801 /nfs/dbraw/zinc/68/48/01/625684801.db2.gz MPUOZYQADMFMMQ-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001024605697 625708905 /nfs/dbraw/zinc/70/89/05/625708905.db2.gz BCOBZTANQJJQRG-DRZSPHRISA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001024605697 625708913 /nfs/dbraw/zinc/70/89/13/625708913.db2.gz BCOBZTANQJJQRG-DRZSPHRISA-N 1 2 270.804 2.366 20 30 CEEDLO CC[C@@H]([NH2+]CC(C)(C)OCCO)c1cccc(C#N)c1O ZINC000926433868 624712369 /nfs/dbraw/zinc/71/23/69/624712369.db2.gz JQRWUBKWCGBUEQ-CQSZACIVSA-N 1 2 292.379 2.092 20 30 CEEDLO CC[C@H]([NH2+]CC(C)(C)OCCO)c1cccc(C#N)c1O ZINC000926433867 624712472 /nfs/dbraw/zinc/71/24/72/624712472.db2.gz JQRWUBKWCGBUEQ-AWEZNQCLSA-N 1 2 292.379 2.092 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)CN1CCOC1=O ZINC000902075495 634449542 /nfs/dbraw/zinc/44/95/42/634449542.db2.gz BPQJZUJEEKLULP-UHFFFAOYSA-N 1 2 260.337 2.127 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)CN1CCOC1=O ZINC000902075495 634449544 /nfs/dbraw/zinc/44/95/44/634449544.db2.gz BPQJZUJEEKLULP-UHFFFAOYSA-N 1 2 260.337 2.127 20 30 CEEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001024728182 625782560 /nfs/dbraw/zinc/78/25/60/625782560.db2.gz TWZIJWSVLGEIBQ-ZDUSSCGKSA-N 1 2 298.390 2.333 20 30 CEEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001024728182 625782564 /nfs/dbraw/zinc/78/25/64/625782564.db2.gz TWZIJWSVLGEIBQ-ZDUSSCGKSA-N 1 2 298.390 2.333 20 30 CEEDLO C=CC[N@@H+](C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902229621 634535010 /nfs/dbraw/zinc/53/50/10/634535010.db2.gz WIZFDWSHPKEHML-UHFFFAOYSA-N 1 2 277.343 2.139 20 30 CEEDLO C=CC[N@H+](C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902229621 634535013 /nfs/dbraw/zinc/53/50/13/634535013.db2.gz WIZFDWSHPKEHML-UHFFFAOYSA-N 1 2 277.343 2.139 20 30 CEEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cnccn1 ZINC000180314265 627309455 /nfs/dbraw/zinc/30/94/55/627309455.db2.gz SOBZCHYPZRJNEX-SNAWJCMRSA-N 1 2 250.261 2.020 20 30 CEEDLO C[C@H]1CCN(c2ccc(C#N)cc2CO)C[C@@H]1n1cc[nH+]c1 ZINC000892910280 627847095 /nfs/dbraw/zinc/84/70/95/627847095.db2.gz QHKDSLPQZAGJHY-GUYCJALGSA-N 1 2 296.374 2.335 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581014 628494956 /nfs/dbraw/zinc/49/49/56/628494956.db2.gz BZDLHHVALYQWDD-BXUZGUMPSA-N 1 2 277.324 2.110 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581014 628494960 /nfs/dbraw/zinc/49/49/60/628494960.db2.gz BZDLHHVALYQWDD-BXUZGUMPSA-N 1 2 277.324 2.110 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001009446220 628611157 /nfs/dbraw/zinc/61/11/57/628611157.db2.gz ANFMGPYZJGXQJR-CQSZACIVSA-N 1 2 290.432 2.446 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001009446220 628611160 /nfs/dbraw/zinc/61/11/60/628611160.db2.gz ANFMGPYZJGXQJR-CQSZACIVSA-N 1 2 290.432 2.446 20 30 CEEDLO C[N@H+](Cc1ncc(Br)cn1)[C@H]1CC[C@@H](C#N)C1 ZINC000931862914 628867207 /nfs/dbraw/zinc/86/72/07/628867207.db2.gz DODBCACFAGUJMY-KOLCDFICSA-N 1 2 295.184 2.363 20 30 CEEDLO C[N@@H+](Cc1ncc(Br)cn1)[C@H]1CC[C@@H](C#N)C1 ZINC000931862914 628867209 /nfs/dbraw/zinc/86/72/09/628867209.db2.gz DODBCACFAGUJMY-KOLCDFICSA-N 1 2 295.184 2.363 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893683537 628915547 /nfs/dbraw/zinc/91/55/47/628915547.db2.gz JFQQVDOMTKRHFB-RYUDHWBXSA-N 1 2 264.373 2.426 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893683537 628915548 /nfs/dbraw/zinc/91/55/48/628915548.db2.gz JFQQVDOMTKRHFB-RYUDHWBXSA-N 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/nfs/dbraw/zinc/69/15/05/629691505.db2.gz FYKGOSXPHJDQEI-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C(=O)OC ZINC000894855592 629692296 /nfs/dbraw/zinc/69/22/96/629692296.db2.gz USUOEJGQEWBOIY-JYJNAYRXSA-N 1 2 293.407 2.126 20 30 CEEDLO COC(=O)c1cc(C[NH2+]CC2(C#N)CCC2)cs1 ZINC000895026816 629810849 /nfs/dbraw/zinc/81/08/49/629810849.db2.gz QXAQAAVYHNXCEC-UHFFFAOYSA-N 1 2 264.350 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796334476 629855040 /nfs/dbraw/zinc/85/50/40/629855040.db2.gz XLBWDEFVSPOUAU-DTWKUNHWSA-N 1 2 257.683 2.232 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796334476 629855043 /nfs/dbraw/zinc/85/50/43/629855043.db2.gz XLBWDEFVSPOUAU-DTWKUNHWSA-N 1 2 257.683 2.232 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000895077664 629861246 /nfs/dbraw/zinc/86/12/46/629861246.db2.gz GTNXVMDQRBUCHP-NSHDSACASA-N 1 2 278.377 2.165 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000895077664 629861251 /nfs/dbraw/zinc/86/12/51/629861251.db2.gz GTNXVMDQRBUCHP-NSHDSACASA-N 1 2 278.377 2.165 20 30 CEEDLO C=CCOCCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000797295406 630206183 /nfs/dbraw/zinc/20/61/83/630206183.db2.gz RBUIMSVQLUCDAN-OAHLLOKOSA-N 1 2 277.364 2.425 20 30 CEEDLO C=CCOCCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000797295406 630206187 /nfs/dbraw/zinc/20/61/87/630206187.db2.gz RBUIMSVQLUCDAN-OAHLLOKOSA-N 1 2 277.364 2.425 20 30 CEEDLO C=C(C)C[C@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OCC ZINC000895592524 630269185 /nfs/dbraw/zinc/26/91/85/630269185.db2.gz RWUVTZDVXDZWJT-LBPRGKRZSA-N 1 2 265.357 2.014 20 30 CEEDLO C#CC[N@H+](Cc1cccc2c1OCC2)C1CSC1 ZINC000895811241 630356558 /nfs/dbraw/zinc/35/65/58/630356558.db2.gz OTGPEPPMUJVNOV-UHFFFAOYSA-N 1 2 259.374 2.172 20 30 CEEDLO C#CC[N@@H+](Cc1cccc2c1OCC2)C1CSC1 ZINC000895811241 630356560 /nfs/dbraw/zinc/35/65/60/630356560.db2.gz OTGPEPPMUJVNOV-UHFFFAOYSA-N 1 2 259.374 2.172 20 30 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DSYPNKAZJJMSQM-FLIBITNWSA-N 1 2 278.315 2.280 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cc(OC)cnc1F ZINC000877020487 650533735 /nfs/dbraw/zinc/53/37/35/650533735.db2.gz VHRLKEBBPIKJMZ-UHFFFAOYSA-N 1 2 275.121 2.228 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000829815977 640186542 /nfs/dbraw/zinc/18/65/42/640186542.db2.gz XBCYXESPHDYNQN-VIFPVBQESA-N 1 2 255.268 2.243 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000829815977 640186550 /nfs/dbraw/zinc/18/65/50/640186550.db2.gz XBCYXESPHDYNQN-VIFPVBQESA-N 1 2 255.268 2.243 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993210266 640553497 /nfs/dbraw/zinc/55/34/97/640553497.db2.gz AOCAQRXFHCGSGS-OCCSQVGLSA-N 1 2 298.814 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993210266 640553500 /nfs/dbraw/zinc/55/35/00/640553500.db2.gz AOCAQRXFHCGSGS-OCCSQVGLSA-N 1 2 298.814 2.055 20 30 CEEDLO C[C@H](CC(=O)OCc1ccccc1C#N)n1cc[nH+]c1 ZINC000845275670 640941696 /nfs/dbraw/zinc/94/16/96/640941696.db2.gz GUSHJQXHVVQSAG-GFCCVEGCSA-N 1 2 269.304 2.449 20 30 CEEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccc1)n1cc[nH+]c1 ZINC000845441953 640975902 /nfs/dbraw/zinc/97/59/02/640975902.db2.gz IWSHDCMNGSNHQC-JSGCOSHPSA-N 1 2 296.330 2.182 20 30 CEEDLO C#CC[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000845481134 640982706 /nfs/dbraw/zinc/98/27/06/640982706.db2.gz XWCCDADJBCGLLC-CQSZACIVSA-N 1 2 274.364 2.353 20 30 CEEDLO C#CCC1(OC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC000845541358 640996642 /nfs/dbraw/zinc/99/66/42/640996642.db2.gz OOQGJNOUIUFTPP-UHFFFAOYSA-N 1 2 272.348 2.251 20 30 CEEDLO N#CCCOCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919152368 641018054 /nfs/dbraw/zinc/01/80/54/641018054.db2.gz ZWMUMDOMWUZXNT-UHFFFAOYSA-N 1 2 255.321 2.404 20 30 CEEDLO C#CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000845776483 641085970 /nfs/dbraw/zinc/08/59/70/641085970.db2.gz REYVVRNJHKAFBU-UHFFFAOYSA-N 1 2 285.391 2.166 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000919938796 641097532 /nfs/dbraw/zinc/09/75/32/641097532.db2.gz TVCLKHRDWTTZNK-NWDGAFQWSA-N 1 2 281.429 2.463 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000919938796 641097533 /nfs/dbraw/zinc/09/75/33/641097533.db2.gz TVCLKHRDWTTZNK-NWDGAFQWSA-N 1 2 281.429 2.463 20 30 CEEDLO Cc1cc(C#N)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000846755755 641413769 /nfs/dbraw/zinc/41/37/69/641413769.db2.gz NDEFDMDCCPNLPY-UHFFFAOYSA-N 1 2 271.364 2.143 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000847019457 641525641 /nfs/dbraw/zinc/52/56/41/641525641.db2.gz QMQLQBYSSXBFBC-UONOGXRCSA-N 1 2 291.416 2.496 20 30 CEEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000847019457 641525648 /nfs/dbraw/zinc/52/56/48/641525648.db2.gz QMQLQBYSSXBFBC-UONOGXRCSA-N 1 2 291.416 2.496 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000847021901 641527628 /nfs/dbraw/zinc/52/76/28/641527628.db2.gz QHNBHLSKKCLQOR-AWEZNQCLSA-N 1 2 284.359 2.173 20 30 CEEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000847021901 641527633 /nfs/dbraw/zinc/52/76/33/641527633.db2.gz QHNBHLSKKCLQOR-AWEZNQCLSA-N 1 2 284.359 2.173 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000847180605 641594404 /nfs/dbraw/zinc/59/44/04/641594404.db2.gz CXLWGGULOCSDQX-LBPRGKRZSA-N 1 2 268.320 2.211 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000847302543 641628254 /nfs/dbraw/zinc/62/82/54/641628254.db2.gz NADZYCYAVJAGGR-OAHLLOKOSA-N 1 2 297.402 2.057 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(OCC#N)c1 ZINC000847351590 641642408 /nfs/dbraw/zinc/64/24/08/641642408.db2.gz XUSLHYJPSAFECW-LLVKDONJSA-N 1 2 284.319 2.129 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(OCC#N)c1 ZINC000847351590 641642416 /nfs/dbraw/zinc/64/24/16/641642416.db2.gz XUSLHYJPSAFECW-LLVKDONJSA-N 1 2 284.319 2.129 20 30 CEEDLO C=CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccncc1 ZINC000847497469 641675659 /nfs/dbraw/zinc/67/56/59/641675659.db2.gz HVDNSLASMZMLPE-DOMZBBRYSA-N 1 2 284.363 2.417 20 30 CEEDLO C=CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccncc1 ZINC000847497469 641675664 /nfs/dbraw/zinc/67/56/64/641675664.db2.gz HVDNSLASMZMLPE-DOMZBBRYSA-N 1 2 284.363 2.417 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000847615069 641705561 /nfs/dbraw/zinc/70/55/61/641705561.db2.gz XYGLBKPIXWWZMY-XJKSGUPXSA-N 1 2 281.359 2.469 20 30 CEEDLO C#CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000847615069 641705566 /nfs/dbraw/zinc/70/55/66/641705566.db2.gz XYGLBKPIXWWZMY-XJKSGUPXSA-N 1 2 281.359 2.469 20 30 CEEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847743990 641758945 /nfs/dbraw/zinc/75/89/45/641758945.db2.gz MPBLFJFLHIDCTC-SNVBAGLBSA-N 1 2 287.285 2.003 20 30 CEEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847743990 641758947 /nfs/dbraw/zinc/75/89/47/641758947.db2.gz MPBLFJFLHIDCTC-SNVBAGLBSA-N 1 2 287.285 2.003 20 30 CEEDLO Cc1nc2ccccc2nc1C=NNCCCn1cc[nH+]c1 ZINC000848416729 641985005 /nfs/dbraw/zinc/98/50/05/641985005.db2.gz VXLGXQSYEDJYRK-UHFFFAOYSA-N 1 2 294.362 2.149 20 30 CEEDLO C(CCc1ccc2c(c1)CCO2)=NNCCCn1cc[nH+]c1 ZINC000848417064 641985970 /nfs/dbraw/zinc/98/59/70/641985970.db2.gz JKBQNEMPUKABOP-UHFFFAOYSA-N 1 2 298.390 2.416 20 30 CEEDLO CC(=O)Nc1cccc(C(C)=NNCCCn2cc[nH+]c2)c1 ZINC000848418892 641986781 /nfs/dbraw/zinc/98/67/81/641986781.db2.gz OFWYPLQOGDESGS-UHFFFAOYSA-N 1 2 299.378 2.245 20 30 CEEDLO COc1ccc(C=NNCCCn2cc[nH+]c2)cc1F ZINC000848418722 641986817 /nfs/dbraw/zinc/98/68/17/641986817.db2.gz MLFVQMLEIVUQJB-UHFFFAOYSA-N 1 2 276.315 2.045 20 30 CEEDLO FC(F)Oc1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848420290 641987977 /nfs/dbraw/zinc/98/79/77/641987977.db2.gz VTTRAWKYAMVLFX-UHFFFAOYSA-N 1 2 294.305 2.498 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000769978111 642150421 /nfs/dbraw/zinc/15/04/21/642150421.db2.gz RPDYASADBCVRHR-LBPRGKRZSA-N 1 2 257.312 2.465 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000769978111 642150425 /nfs/dbraw/zinc/15/04/25/642150425.db2.gz RPDYASADBCVRHR-LBPRGKRZSA-N 1 2 257.312 2.465 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848901164 642179468 /nfs/dbraw/zinc/17/94/68/642179468.db2.gz VTTSFGWESCZGJK-AATRIKPKSA-N 1 2 255.701 2.308 20 30 CEEDLO COC(=O)/C=C\c1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000848902643 642180762 /nfs/dbraw/zinc/18/07/62/642180762.db2.gz REVUDCQVOHJIFP-SREVYHEPSA-N 1 2 262.309 2.105 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848902461 642180852 /nfs/dbraw/zinc/18/08/52/642180852.db2.gz DOWYBKCLBLUVIK-ZADCQDASSA-N 1 2 262.309 2.248 20 30 CEEDLO CCOCCOCC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877465528 650731583 /nfs/dbraw/zinc/73/15/83/650731583.db2.gz AUGMNJVYTKPXLY-UHFFFAOYSA-N 1 2 297.786 2.092 20 30 CEEDLO CCOCCOCC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877465528 650731584 /nfs/dbraw/zinc/73/15/84/650731584.db2.gz AUGMNJVYTKPXLY-UHFFFAOYSA-N 1 2 297.786 2.092 20 30 CEEDLO C[C@H](CC/N=C\c1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000849170178 642277133 /nfs/dbraw/zinc/27/71/33/642277133.db2.gz MAQQHLXWTIJWQN-AHEVQNHNSA-N 1 2 265.313 2.060 20 30 CEEDLO Cc1cccn2c(/C=C3\S/C(=N/C4CC4)NC3=O)c[nH+]c12 ZINC000849251794 642295855 /nfs/dbraw/zinc/29/58/55/642295855.db2.gz LBOGWSQOOFOENK-GHXNOFRVSA-N 1 2 298.371 2.365 20 30 CEEDLO C#CCCCCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000877615427 650815349 /nfs/dbraw/zinc/81/53/49/650815349.db2.gz REWQDEKPTQIQNX-INIZCTEOSA-N 1 2 275.396 2.377 20 30 CEEDLO C#CCCCCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000877615427 650815353 /nfs/dbraw/zinc/81/53/53/650815353.db2.gz REWQDEKPTQIQNX-INIZCTEOSA-N 1 2 275.396 2.377 20 30 CEEDLO CC[C@H]([NH2+]CCc1nc(C)no1)c1cccc(C#N)c1O ZINC000925360578 643165811 /nfs/dbraw/zinc/16/58/11/643165811.db2.gz WZHLLIBOEOKFHW-ZDUSSCGKSA-N 1 2 286.335 2.239 20 30 CEEDLO CC(C)n1c[nH+]cc1CN[C@@H](CC#N)C(F)(F)F ZINC000922648332 643177734 /nfs/dbraw/zinc/17/77/34/643177734.db2.gz YYAIUSNXHHZKEQ-JTQLQIEISA-N 1 2 260.263 2.398 20 30 CEEDLO COCc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)no1 ZINC000922760446 643250268 /nfs/dbraw/zinc/25/02/68/643250268.db2.gz SZZJRBUWZWULQU-UHFFFAOYSA-N 1 2 271.320 2.291 20 30 CEEDLO C#CCOCC[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000851983266 643252366 /nfs/dbraw/zinc/25/23/66/643252366.db2.gz VIYQBBUQDPSECD-UHFFFAOYSA-N 1 2 295.386 2.189 20 30 CEEDLO C#CCOCC[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000851983266 643252369 /nfs/dbraw/zinc/25/23/69/643252369.db2.gz VIYQBBUQDPSECD-UHFFFAOYSA-N 1 2 295.386 2.189 20 30 CEEDLO CC1(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004490233 643312161 /nfs/dbraw/zinc/31/21/61/643312161.db2.gz QATVVGZFZCVAIE-HNNXBMFYSA-N 1 2 289.423 2.403 20 30 CEEDLO CC1(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004490233 643312168 /nfs/dbraw/zinc/31/21/68/643312168.db2.gz QATVVGZFZCVAIE-HNNXBMFYSA-N 1 2 289.423 2.403 20 30 CEEDLO CC(C)OCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326141 643396236 /nfs/dbraw/zinc/39/62/36/643396236.db2.gz LSIYVAXNUHVHAX-INIZCTEOSA-N 1 2 273.380 2.364 20 30 CEEDLO CC(C)OCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326141 643396239 /nfs/dbraw/zinc/39/62/39/643396239.db2.gz LSIYVAXNUHVHAX-INIZCTEOSA-N 1 2 273.380 2.364 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCCOCC1)C(=O)OCC ZINC000877671659 650843628 /nfs/dbraw/zinc/84/36/28/650843628.db2.gz MLLFELPKLJXBIE-NEPJUHHUSA-N 1 2 275.776 2.219 20 30 CEEDLO C#CCC[N@@H+](CCOC)CC(=O)c1c[nH]c2ccccc21 ZINC000852751567 643536478 /nfs/dbraw/zinc/53/64/78/643536478.db2.gz APFSDMOBZJQBBY-UHFFFAOYSA-N 1 2 284.359 2.322 20 30 CEEDLO C#CCC[N@H+](CCOC)CC(=O)c1c[nH]c2ccccc21 ZINC000852751567 643536482 /nfs/dbraw/zinc/53/64/82/643536482.db2.gz APFSDMOBZJQBBY-UHFFFAOYSA-N 1 2 284.359 2.322 20 30 CEEDLO COCc1csc(C=NNCCCn2cc[nH+]c2)c1 ZINC000853372167 643758254 /nfs/dbraw/zinc/75/82/54/643758254.db2.gz JEDHLNIMYVVDOS-UHFFFAOYSA-N 1 2 278.381 2.105 20 30 CEEDLO CC(C)[C@@H]1CCN(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000853507466 643795757 /nfs/dbraw/zinc/79/57/57/643795757.db2.gz ZMTCBPDKLYKQGU-ZDUSSCGKSA-N 1 2 263.385 2.074 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853508150 643795777 /nfs/dbraw/zinc/79/57/77/643795777.db2.gz BORAWZYZKIDAJI-HIFRSBDPSA-N 1 2 262.397 2.326 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853508150 643795780 /nfs/dbraw/zinc/79/57/80/643795780.db2.gz BORAWZYZKIDAJI-HIFRSBDPSA-N 1 2 262.397 2.326 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(CC#N)n(C)c1=S ZINC000853598658 643829252 /nfs/dbraw/zinc/82/92/52/643829252.db2.gz UUCXBRPSLWBUEL-TXEJJXNPSA-N 1 2 289.408 2.158 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(CC#N)n(C)c1=S ZINC000853598658 643829258 /nfs/dbraw/zinc/82/92/58/643829258.db2.gz UUCXBRPSLWBUEL-TXEJJXNPSA-N 1 2 289.408 2.158 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCc1nn(CC)nc1C ZINC000853700514 643869142 /nfs/dbraw/zinc/86/91/42/643869142.db2.gz LSYQLMXVZOJRHB-UHFFFAOYSA-N 1 2 299.378 2.406 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](CO)CCF ZINC000853716579 643874451 /nfs/dbraw/zinc/87/44/51/643874451.db2.gz PFLXNFMHUJLBMZ-GFCCVEGCSA-N 1 2 266.316 2.006 20 30 CEEDLO Cc1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)ncc1C#N ZINC000838393217 643924530 /nfs/dbraw/zinc/92/45/30/643924530.db2.gz AQXKCIPMWTWQOT-UHFFFAOYSA-N 1 2 296.330 2.080 20 30 CEEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])COC(C)C)n1 ZINC000854159060 644001395 /nfs/dbraw/zinc/00/13/95/644001395.db2.gz PDEBOUSKHXTSEF-JTQLQIEISA-N 1 2 253.346 2.348 20 30 CEEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CCCC[C@H]1C)C(=O)OC ZINC000839169379 644178713 /nfs/dbraw/zinc/17/87/13/644178713.db2.gz RZIDPXOPELMCDN-SYQHCUMBSA-N 1 2 251.370 2.356 20 30 CEEDLO C#CC[C@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000839170071 644179544 /nfs/dbraw/zinc/17/95/44/644179544.db2.gz VYFIKLQKLXVSIG-PWSUYJOCSA-N 1 2 273.323 2.355 20 30 CEEDLO Cc1ccc2[nH+]cc(CN=Nc3nc(C)cc(C)n3)n2c1 ZINC000755455200 644520348 /nfs/dbraw/zinc/52/03/48/644520348.db2.gz MOOUVOROOQRFLL-UHFFFAOYSA-N 1 2 280.335 2.496 20 30 CEEDLO COc1cc(C)nc(N=NCc2c[nH+]c3c(C)cccn23)n1 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648894813 /nfs/dbraw/zinc/89/48/13/648894813.db2.gz QFRRNBPBJXXPNB-LLVKDONJSA-N 1 2 279.413 2.097 20 30 CEEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000123667112 649097470 /nfs/dbraw/zinc/09/74/70/649097470.db2.gz BHYGIDOUCYAGEW-UHFFFAOYSA-N 1 2 266.776 2.371 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCO[C@H]2C)ccc1F ZINC000871728333 649159250 /nfs/dbraw/zinc/15/92/50/649159250.db2.gz LEWMSPQFRJQLBY-CMPLNLGQSA-N 1 2 266.316 2.196 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCO[C@@H]2C)ccc1F ZINC000871728336 649159321 /nfs/dbraw/zinc/15/93/21/649159321.db2.gz LEWMSPQFRJQLBY-ZYHUDNBSSA-N 1 2 266.316 2.196 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000923632961 649161389 /nfs/dbraw/zinc/16/13/89/649161389.db2.gz FFIMATTVEFOIFU-JTQLQIEISA-N 1 2 268.320 2.010 20 30 CEEDLO CCC(=NNCCCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000872387380 649376878 /nfs/dbraw/zinc/37/68/78/649376878.db2.gz KOOGKFGDMFDVOG-CYBMUJFWSA-N 1 2 264.373 2.055 20 30 CEEDLO CCOc1cc(F)cc(C=NNCCCn2cc[nH+]c2)c1 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274.364 2.149 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001038972613 810959391 /nfs/dbraw/zinc/95/93/91/810959391.db2.gz KFXWITKOYMXWAQ-HNNXBMFYSA-N 1 2 270.376 2.131 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001038972613 810959396 /nfs/dbraw/zinc/95/93/96/810959396.db2.gz KFXWITKOYMXWAQ-HNNXBMFYSA-N 1 2 270.376 2.131 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085944415 810978707 /nfs/dbraw/zinc/97/87/07/810978707.db2.gz ISPHEZUYWWSROB-NSHDSACASA-N 1 2 296.823 2.489 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085944415 810978711 /nfs/dbraw/zinc/97/87/11/810978711.db2.gz ISPHEZUYWWSROB-NSHDSACASA-N 1 2 296.823 2.489 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC(C)C ZINC001039064734 810979167 /nfs/dbraw/zinc/97/91/67/810979167.db2.gz UZQQWZFRAFIRPX-INIZCTEOSA-N 1 2 284.403 2.322 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC(C)C ZINC001039064734 810979168 /nfs/dbraw/zinc/97/91/68/810979168.db2.gz 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C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncc(C)c2)C1 ZINC001046215032 811710883 /nfs/dbraw/zinc/71/08/83/811710883.db2.gz LJAZMIQHAFHPDS-OAHLLOKOSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncc(C)c2)C1 ZINC001046215032 811710890 /nfs/dbraw/zinc/71/08/90/811710890.db2.gz LJAZMIQHAFHPDS-OAHLLOKOSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csnc2C)C1 ZINC001046252912 811724559 /nfs/dbraw/zinc/72/45/59/811724559.db2.gz MFHALURRRBUKJD-ZDUSSCGKSA-N 1 2 299.827 2.398 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csnc2C)C1 ZINC001046252912 811724562 /nfs/dbraw/zinc/72/45/62/811724562.db2.gz MFHALURRRBUKJD-ZDUSSCGKSA-N 1 2 299.827 2.398 20 30 CEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096433827 812037543 /nfs/dbraw/zinc/03/75/43/812037543.db2.gz MAUAUZKNNGZETK-CYBMUJFWSA-N 1 2 288.395 2.082 20 30 CEEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC001112772921 812063178 /nfs/dbraw/zinc/06/31/78/812063178.db2.gz SUEOJYKHHUCQAD-UHFFFAOYSA-N 1 2 299.418 2.228 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)CC(F)F)CC1 ZINC001112949995 812119818 /nfs/dbraw/zinc/11/98/18/812119818.db2.gz FDADRRVKQWDHNH-UHFFFAOYSA-N 1 2 274.355 2.388 20 30 CEEDLO C#CCCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001112973516 812131436 /nfs/dbraw/zinc/13/14/36/812131436.db2.gz LHDHPPMQUNIQHL-OLZOCXBDSA-N 1 2 288.395 2.284 20 30 CEEDLO COC(=O)c1[nH+]ccc(NCc2ccc(C#N)c(F)c2)c1C ZINC001170095948 812138966 /nfs/dbraw/zinc/13/89/66/812138966.db2.gz SEAJFKMLRGTYBC-UHFFFAOYSA-N 1 2 299.305 2.221 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCC)C(C)C)CC1 ZINC001113394530 812233231 /nfs/dbraw/zinc/23/32/31/812233231.db2.gz FNVBGJGMANXMPL-CQSZACIVSA-N 1 2 252.402 2.389 20 30 CEEDLO C=CCCC[NH+]1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC001113450657 812242695 /nfs/dbraw/zinc/24/26/95/812242695.db2.gz ZEVPRANUFQKSJW-UHFFFAOYSA-N 1 2 298.390 2.287 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)CC(C)C)CC1 ZINC001113526670 812270078 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ZINC001131882215 812750179 /nfs/dbraw/zinc/75/01/79/812750179.db2.gz VDBXPRGDNSQMBT-QWHCGFSZSA-N 1 2 288.819 2.135 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCCC)CC[C@@H]1C ZINC001131882215 812750185 /nfs/dbraw/zinc/75/01/85/812750185.db2.gz VDBXPRGDNSQMBT-QWHCGFSZSA-N 1 2 288.819 2.135 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001255177099 813025055 /nfs/dbraw/zinc/02/50/55/813025055.db2.gz MKKYILZANZJMFN-STQMWFEESA-N 1 2 260.341 2.012 20 30 CEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001255177099 813025061 /nfs/dbraw/zinc/02/50/61/813025061.db2.gz MKKYILZANZJMFN-STQMWFEESA-N 1 2 260.341 2.012 20 30 CEEDLO C=CCCC1(C(=O)NCC[NH2+][C@H](C)c2csnn2)CC1 ZINC001133374257 813041936 /nfs/dbraw/zinc/04/19/36/813041936.db2.gz RYAMTNKQQQGORC-LLVKDONJSA-N 1 2 294.424 2.051 20 30 CEEDLO Cc1c[nH+]cc(C)c1NC(=O)c1cc(C#N)cs1 ZINC001133452631 813078787 /nfs/dbraw/zinc/07/87/87/813078787.db2.gz GGAPZNXTYCQLOL-UHFFFAOYSA-N 1 2 257.318 2.306 20 30 CEEDLO C#Cc1ccccc1CC(=O)Nc1c(C)c[nH+]cc1C ZINC001133686096 813137834 /nfs/dbraw/zinc/13/78/34/813137834.db2.gz RIAHZUGUJAHNKJ-UHFFFAOYSA-N 1 2 264.328 2.283 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001071292161 813349735 /nfs/dbraw/zinc/34/97/35/813349735.db2.gz VOVQOKDFRGCEFW-CMPLNLGQSA-N 1 2 256.777 2.118 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001071292161 813349739 /nfs/dbraw/zinc/34/97/39/813349739.db2.gz VOVQOKDFRGCEFW-CMPLNLGQSA-N 1 2 256.777 2.118 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2nc(Cl)cs2)CC[C@H]1C ZINC001071769551 813479309 /nfs/dbraw/zinc/47/93/09/813479309.db2.gz SZGZAWAQUTWVFB-NXEZZACHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2nc(Cl)cs2)CC[C@H]1C ZINC001071769551 813479312 /nfs/dbraw/zinc/47/93/12/813479312.db2.gz SZGZAWAQUTWVFB-NXEZZACHSA-N 1 2 297.811 2.012 20 30 CEEDLO C=C[C@H]1C[C@]1(Nc1ccn2cc[nH+]c2c1)C(=O)OCC ZINC001170916246 813638327 /nfs/dbraw/zinc/63/83/27/813638327.db2.gz GPGWEESSZZYEIV-XHDPSFHLSA-N 1 2 271.320 2.254 20 30 CEEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001144079491 813950416 /nfs/dbraw/zinc/95/04/16/813950416.db2.gz ODPAOTPFYMAIDF-OAHLLOKOSA-N 1 2 265.320 2.080 20 30 CEEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001144079491 813950421 /nfs/dbraw/zinc/95/04/21/813950421.db2.gz ODPAOTPFYMAIDF-OAHLLOKOSA-N 1 2 265.320 2.080 20 30 CEEDLO COc1ncc(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC001144469556 814078438 /nfs/dbraw/zinc/07/84/38/814078438.db2.gz UUQYLOJHWKHPRW-UHFFFAOYSA-N 1 2 263.316 2.355 20 30 CEEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171189986 814084503 /nfs/dbraw/zinc/08/45/03/814084503.db2.gz OFUUGINGZDHPNI-IUODEOHRSA-N 1 2 272.348 2.197 20 30 CEEDLO C=CC(C)(C)C(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001100255473 814085816 /nfs/dbraw/zinc/08/58/16/814085816.db2.gz RIDDLBZVRQULMT-UHFFFAOYSA-N 1 2 290.411 2.166 20 30 CEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091375320 814224137 /nfs/dbraw/zinc/22/41/37/814224137.db2.gz BEQDOUBEPYRYMZ-OKILXGFUSA-N 1 2 288.395 2.448 20 30 CEEDLO C#CCCCCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101901754 814334759 /nfs/dbraw/zinc/33/47/59/814334759.db2.gz PQRUZFOOOVELBN-UHFFFAOYSA-N 1 2 288.395 2.239 20 30 CEEDLO C=CCOc1ccc(C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001148470059 814565642 /nfs/dbraw/zinc/56/56/42/814565642.db2.gz HWSXKALKRIJTJG-UHFFFAOYSA-N 1 2 298.342 2.455 20 30 CEEDLO C[C@H](C#N)c1cccc(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001148616353 814596440 /nfs/dbraw/zinc/59/64/40/814596440.db2.gz WLKXYJCNZNGCQM-CYBMUJFWSA-N 1 2 294.358 2.209 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001111974061 814636976 /nfs/dbraw/zinc/63/69/76/814636976.db2.gz JJBXXXXCLOAMOZ-CQSZACIVSA-N 1 2 288.395 2.226 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098348618 814718974 /nfs/dbraw/zinc/71/89/74/814718974.db2.gz QALOPSBAZQRSGB-LBPRGKRZSA-N 1 2 299.378 2.003 20 30 CEEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc(CCCC)no1 ZINC001116396703 814851077 /nfs/dbraw/zinc/85/10/77/814851077.db2.gz MSVBHQCJKOSMMU-GFCCVEGCSA-N 1 2 265.357 2.055 20 30 CEEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc(CCCC)no1 ZINC001116396703 814851082 /nfs/dbraw/zinc/85/10/82/814851082.db2.gz MSVBHQCJKOSMMU-GFCCVEGCSA-N 1 2 265.357 2.055 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCCC(=O)CC2)cc1OC ZINC001138345910 815770975 /nfs/dbraw/zinc/77/09/75/815770975.db2.gz VLAWWVQBMIQPHF-UHFFFAOYSA-N 1 2 287.359 2.262 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCCC(=O)CC2)cc1OC ZINC001138345910 815770983 /nfs/dbraw/zinc/77/09/83/815770983.db2.gz VLAWWVQBMIQPHF-UHFFFAOYSA-N 1 2 287.359 2.262 20 30 CEEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@](C)(C#N)CC)C1 ZINC001173640911 815787386 /nfs/dbraw/zinc/78/73/86/815787386.db2.gz LHJGXGFQUPOPSI-YRGRVCCFSA-N 1 2 252.358 2.390 20 30 CEEDLO Cc1c(C)n(-c2ccc3[nH+]cn(C)c3c2)c(N)c1C#N ZINC001174345925 815973495 /nfs/dbraw/zinc/97/34/95/815973495.db2.gz BKBVKOLSTDOKPR-UHFFFAOYSA-N 1 2 265.320 2.435 20 30 CEEDLO Cc1cc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)n(C)n1 ZINC001139527236 816039749 /nfs/dbraw/zinc/03/97/49/816039749.db2.gz BQBRFIGOXSJTTK-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)n(C)n1 ZINC001139527236 816039756 /nfs/dbraw/zinc/03/97/56/816039756.db2.gz BQBRFIGOXSJTTK-UHFFFAOYSA-N 1 2 272.327 2.371 20 30 CEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CC(CC#N)C1 ZINC001139674623 816078577 /nfs/dbraw/zinc/07/85/77/816078577.db2.gz YLKBCHWCJHBOEZ-UHFFFAOYSA-N 1 2 254.337 2.297 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139729307 816096457 /nfs/dbraw/zinc/09/64/57/816096457.db2.gz UMKPLFYJSJJUST-KBMXLJTQSA-N 1 2 284.359 2.393 20 30 CEEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139729307 816096460 /nfs/dbraw/zinc/09/64/60/816096460.db2.gz UMKPLFYJSJJUST-KBMXLJTQSA-N 1 2 284.359 2.393 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCc3ncn(C)c3C2)cc1C#N ZINC001139727062 816097193 /nfs/dbraw/zinc/09/71/93/816097193.db2.gz HDTJXLABTBUFJF-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO Cc1ccc(C[N@H+]2CCc3ncn(C)c3C2)cc1C#N ZINC001139727062 816097198 /nfs/dbraw/zinc/09/71/98/816097198.db2.gz HDTJXLABTBUFJF-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO N#Cc1cccc(N2CC[NH+](Cc3ccnc(F)c3)CC2)c1 ZINC001139835526 816123443 /nfs/dbraw/zinc/12/34/43/816123443.db2.gz AJQFPOQSYQNBKB-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C#Cc1cc(Nc2ccc(C(=O)NC3CC3)cc2)cc[nH+]1 ZINC001175602337 816229554 /nfs/dbraw/zinc/22/95/54/816229554.db2.gz PAOOEXUIHXHZHF-UHFFFAOYSA-N 1 2 277.327 2.121 20 30 CEEDLO C#Cc1cc(Nc2ccc(C3(C(=O)OC)CC3)cc2)cc[nH+]1 ZINC001175914118 816303879 /nfs/dbraw/zinc/30/38/79/816303879.db2.gz NGBGATXUVFEGQE-UHFFFAOYSA-N 1 2 292.338 2.433 20 30 CEEDLO Cn1c[nH+]c2c1CCN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140756212 816346996 /nfs/dbraw/zinc/34/69/96/816346996.db2.gz IAAPJLQBCGKRFC-UHFFFAOYSA-N 1 2 288.301 2.128 20 30 CEEDLO C#Cc1cc(Nc2cccnc2OC(C)C)cc[nH+]1 ZINC001176730622 816461783 /nfs/dbraw/zinc/46/17/83/816461783.db2.gz RYWOJQBUCTZLGW-UHFFFAOYSA-N 1 2 253.305 2.411 20 30 CEEDLO N#Cc1cnc(Nc2ccc[nH+]c2N2CCCC2)cn1 ZINC001176744481 816464434 /nfs/dbraw/zinc/46/44/34/816464434.db2.gz VYGKXSYRGKAIOI-UHFFFAOYSA-N 1 2 266.308 2.087 20 30 CEEDLO N#Cc1nc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc2s1 ZINC001176831848 816480286 /nfs/dbraw/zinc/48/02/86/816480286.db2.gz AJYWOCRJAKYNPR-UHFFFAOYSA-N 1 2 283.316 2.072 20 30 CEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)CCn1cc[nH+]c1 ZINC001176873311 816486703 /nfs/dbraw/zinc/48/67/03/816486703.db2.gz GSKJZKIASKNBOT-UHFFFAOYSA-N 1 2 285.351 2.340 20 30 CEEDLO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167092 816495590 /nfs/dbraw/zinc/49/55/90/816495590.db2.gz YULJVJGORYWFHJ-LBPRGKRZSA-N 1 2 290.338 2.472 20 30 CEEDLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167092 816495591 /nfs/dbraw/zinc/49/55/91/816495591.db2.gz YULJVJGORYWFHJ-LBPRGKRZSA-N 1 2 290.338 2.472 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001176912864 816497543 /nfs/dbraw/zinc/49/75/43/816497543.db2.gz NOIMIPVKMRYVQL-JKSUJKDBSA-N 1 2 294.439 2.445 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001176912864 816497548 /nfs/dbraw/zinc/49/75/48/816497548.db2.gz NOIMIPVKMRYVQL-JKSUJKDBSA-N 1 2 294.439 2.445 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)c(F)c1 ZINC001178774927 816797159 /nfs/dbraw/zinc/79/71/59/816797159.db2.gz ODDJUORSVKMRJE-ZDUSSCGKSA-N 1 2 256.284 2.128 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001149559168 816877117 /nfs/dbraw/zinc/87/71/17/816877117.db2.gz JPYWIXVOTLTQHF-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001149559168 816877128 /nfs/dbraw/zinc/87/71/28/816877128.db2.gz JPYWIXVOTLTQHF-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121537183 365581076 /nfs/dbraw/zinc/58/10/76/365581076.db2.gz KJORVZNXLQMGHC-UHFFFAOYSA-N 1 2 274.280 2.263 20 30 CEEDLO C=CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121537183 365581082 /nfs/dbraw/zinc/58/10/82/365581082.db2.gz KJORVZNXLQMGHC-UHFFFAOYSA-N 1 2 274.280 2.263 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000124966035 187163528 /nfs/dbraw/zinc/16/35/28/187163528.db2.gz WLSMWBSCZXGOFA-GFCCVEGCSA-N 1 2 274.389 2.044 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000336548118 365629747 /nfs/dbraw/zinc/62/97/47/365629747.db2.gz RFODSIUDRMUEPQ-CQSZACIVSA-N 1 2 297.362 2.470 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621405050 349594587 /nfs/dbraw/zinc/59/45/87/349594587.db2.gz JCQDJVPTXKLURX-ZYHUDNBSSA-N 1 2 274.355 2.481 20 30 CEEDLO N#CC1(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000601636405 346866296 /nfs/dbraw/zinc/86/62/96/346866296.db2.gz INDYBROGABRMBK-UHFFFAOYSA-N 1 2 294.358 2.225 20 30 CEEDLO CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1[nH]cc[nH+]1 ZINC000357705446 529455892 /nfs/dbraw/zinc/45/58/92/529455892.db2.gz IBCZHARUZYRLQD-VIFPVBQESA-N 1 2 261.716 2.315 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](C2CC2)C1 ZINC000329357887 539237949 /nfs/dbraw/zinc/23/79/49/539237949.db2.gz ARIGLBOCOXMMKP-OCCSQVGLSA-N 1 2 276.384 2.308 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@H](C2CC2)C1 ZINC000329357887 539237951 /nfs/dbraw/zinc/23/79/51/539237951.db2.gz ARIGLBOCOXMMKP-OCCSQVGLSA-N 1 2 276.384 2.308 20 30 CEEDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCc2c[nH]nc21 ZINC000329372147 539238002 /nfs/dbraw/zinc/23/80/02/539238002.db2.gz JFYPZLFJNOAWCN-NSHDSACASA-N 1 2 259.313 2.100 20 30 CEEDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCc2c[nH]nc21 ZINC000329372147 539238003 /nfs/dbraw/zinc/23/80/03/539238003.db2.gz JFYPZLFJNOAWCN-NSHDSACASA-N 1 2 259.313 2.100 20 30 CEEDLO N#Cc1cccc(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000007798753 343359515 /nfs/dbraw/zinc/35/95/15/343359515.db2.gz FOLFQEBKDRMTHT-UHFFFAOYSA-N 1 2 276.299 2.136 20 30 CEEDLO C=CCN(CC=C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043477567 343464217 /nfs/dbraw/zinc/46/42/17/343464217.db2.gz WLVBVXGOWMNPMN-UHFFFAOYSA-N 1 2 270.336 2.218 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000049982307 343540529 /nfs/dbraw/zinc/54/05/29/343540529.db2.gz SSTSOJMCZRNODA-STQMWFEESA-N 1 2 291.370 2.484 20 30 CEEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000049982307 343540533 /nfs/dbraw/zinc/54/05/33/343540533.db2.gz SSTSOJMCZRNODA-STQMWFEESA-N 1 2 291.370 2.484 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127835304 365765161 /nfs/dbraw/zinc/76/51/61/365765161.db2.gz MATZRJVKXPNPSO-XJKSGUPXSA-N 1 2 288.395 2.129 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127835304 365765169 /nfs/dbraw/zinc/76/51/69/365765169.db2.gz MATZRJVKXPNPSO-XJKSGUPXSA-N 1 2 288.395 2.129 20 30 CEEDLO Cc1ccc(C(=O)N2CC[NH+](CCCC#N)CC2)s1 ZINC000055930066 343610783 /nfs/dbraw/zinc/61/07/83/343610783.db2.gz SFIWFKLENLECSF-UHFFFAOYSA-N 1 2 277.393 2.118 20 30 CEEDLO C[C@@]1(F)CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000295056369 199323275 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C=C(C)C[N@@H+](C)Cc1cnc(C(=O)OCC)s1 ZINC000602799213 347204090 /nfs/dbraw/zinc/20/40/90/347204090.db2.gz BWBIJQCIVYJDHX-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1cnc(C(=O)OCC)s1 ZINC000602799213 347204093 /nfs/dbraw/zinc/20/40/93/347204093.db2.gz BWBIJQCIVYJDHX-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C=C(C)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000602732339 347176216 /nfs/dbraw/zinc/17/62/16/347176216.db2.gz AWBDODTWYUUJDC-AWEZNQCLSA-N 1 2 292.335 2.235 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602817163 347211725 /nfs/dbraw/zinc/21/17/25/347211725.db2.gz TWVYKYICCRLFFF-ZDUSSCGKSA-N 1 2 264.369 2.486 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602817163 347211727 /nfs/dbraw/zinc/21/17/27/347211727.db2.gz TWVYKYICCRLFFF-ZDUSSCGKSA-N 1 2 264.369 2.486 20 30 CEEDLO N#CCC1(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000602829442 347216612 /nfs/dbraw/zinc/21/66/12/347216612.db2.gz RPLBEYQFNZTKKJ-MRXNPFEDSA-N 1 2 286.375 2.460 20 30 CEEDLO N#CCC1(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000602829442 347216614 /nfs/dbraw/zinc/21/66/14/347216614.db2.gz RPLBEYQFNZTKKJ-MRXNPFEDSA-N 1 2 286.375 2.460 20 30 CEEDLO CC(C)OCc1nc([C@H](C)[NH2+]CC2(CC#N)CC2)no1 ZINC000602838130 347219291 /nfs/dbraw/zinc/21/92/91/347219291.db2.gz RBILJYXMXLTZJL-NSHDSACASA-N 1 2 278.356 2.339 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H](C)N1CC#N ZINC000602847756 347223762 /nfs/dbraw/zinc/22/37/62/347223762.db2.gz CTDLTZZAXGWPFW-ZIAGYGMSSA-N 1 2 289.427 2.056 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ncccc2Cl)C[C@@H](C)N1CC#N ZINC000602850755 347224393 /nfs/dbraw/zinc/22/43/93/347224393.db2.gz SCLAAZVZLFRVER-VXGBXAGGSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000602859943 347227979 /nfs/dbraw/zinc/22/79/79/347227979.db2.gz BJTKPIJBBXDCCX-QMMMGPOBSA-N 1 2 269.707 2.309 20 30 CEEDLO CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602859677 347228382 /nfs/dbraw/zinc/22/83/82/347228382.db2.gz ABCQCSDSBSFTHD-NEPJUHHUSA-N 1 2 259.353 2.468 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000602860431 347228436 /nfs/dbraw/zinc/22/84/36/347228436.db2.gz BQLDYQWACGBFOW-MGPQQGTHSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000602869123 347232196 /nfs/dbraw/zinc/23/21/96/347232196.db2.gz MMCIDZIFJSSPRL-NEPJUHHUSA-N 1 2 289.404 2.406 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602870830 347232893 /nfs/dbraw/zinc/23/28/93/347232893.db2.gz XPAXMGXMRKDYGX-ZJUUUORDSA-N 1 2 290.754 2.430 20 30 CEEDLO COc1cc(C[NH2+][C@H](C)CC#N)c([N+](=O)[O-])cc1F ZINC000602871300 347232941 /nfs/dbraw/zinc/23/29/41/347232941.db2.gz QKBSANUJDGIFOT-MRVPVSSYSA-N 1 2 267.260 2.134 20 30 CEEDLO COc1cc(C[NH2+][C@@H](C)CC#N)c([N+](=O)[O-])cc1F ZINC000602871301 347232950 /nfs/dbraw/zinc/23/29/50/347232950.db2.gz QKBSANUJDGIFOT-QMMMGPOBSA-N 1 2 267.260 2.134 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000602891564 347240035 /nfs/dbraw/zinc/24/00/35/347240035.db2.gz ITJCPSQWSLIBKE-FZMZJTMJSA-N 1 2 297.362 2.294 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccn1 ZINC000603132569 347294191 /nfs/dbraw/zinc/29/41/91/347294191.db2.gz SZMREVSYZFZWKV-AWEZNQCLSA-N 1 2 296.334 2.019 20 30 CEEDLO C[N@H+](CC(=O)NCCCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602973939 347259824 /nfs/dbraw/zinc/25/98/24/347259824.db2.gz HYQBMLQPDATSDS-DLBZAZTESA-N 1 2 299.418 2.359 20 30 CEEDLO C[N@@H+](CC(=O)NCCCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602973939 347259826 /nfs/dbraw/zinc/25/98/26/347259826.db2.gz HYQBMLQPDATSDS-DLBZAZTESA-N 1 2 299.418 2.359 20 30 CEEDLO C[N@H+](CC(=O)NCCCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602973942 347260383 /nfs/dbraw/zinc/26/03/83/347260383.db2.gz HYQBMLQPDATSDS-SJORKVTESA-N 1 2 299.418 2.359 20 30 CEEDLO C[N@@H+](CC(=O)NCCCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602973942 347260386 /nfs/dbraw/zinc/26/03/86/347260386.db2.gz HYQBMLQPDATSDS-SJORKVTESA-N 1 2 299.418 2.359 20 30 CEEDLO C[N@H+](CC(=O)NCCC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602978491 347262882 /nfs/dbraw/zinc/26/28/82/347262882.db2.gz RRDNBCRUKCNVLT-OLZOCXBDSA-N 1 2 265.401 2.163 20 30 CEEDLO C[N@@H+](CC(=O)NCCC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602978491 347262884 /nfs/dbraw/zinc/26/28/84/347262884.db2.gz RRDNBCRUKCNVLT-OLZOCXBDSA-N 1 2 265.401 2.163 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981983 347264635 /nfs/dbraw/zinc/26/46/35/347264635.db2.gz MCUNXUNKYOCTFM-MNOVXSKESA-N 1 2 291.317 2.021 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981983 347264638 /nfs/dbraw/zinc/26/46/38/347264638.db2.gz MCUNXUNKYOCTFM-MNOVXSKESA-N 1 2 291.317 2.021 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981984 347264903 /nfs/dbraw/zinc/26/49/03/347264903.db2.gz MCUNXUNKYOCTFM-QWRGUYRKSA-N 1 2 291.317 2.021 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981984 347264905 /nfs/dbraw/zinc/26/49/05/347264905.db2.gz MCUNXUNKYOCTFM-QWRGUYRKSA-N 1 2 291.317 2.021 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(F)cc(C#N)c1)CC2 ZINC000603076338 347283026 /nfs/dbraw/zinc/28/30/26/347283026.db2.gz RROPXKGJQFOWMK-UHFFFAOYSA-N 1 2 299.309 2.250 20 30 CEEDLO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)CC#N)c1ccccc1 ZINC000609030761 347624873 /nfs/dbraw/zinc/62/48/73/347624873.db2.gz GSPXVMMMHMTKJW-HIFRSBDPSA-N 1 2 273.380 2.488 20 30 CEEDLO C=CCSCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609139681 347628169 /nfs/dbraw/zinc/62/81/69/347628169.db2.gz OAFBJQZPAPEVGM-ZDUSSCGKSA-N 1 2 294.424 2.149 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000609537821 347642646 /nfs/dbraw/zinc/64/26/46/347642646.db2.gz DULLAPDXSJTSBZ-ZBFHGGJFSA-N 1 2 272.396 2.308 20 30 CEEDLO N#Cc1ccc(NCC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000609623120 347647016 /nfs/dbraw/zinc/64/70/16/347647016.db2.gz ODTUDECTHIDBSJ-UHFFFAOYSA-N 1 2 291.314 2.257 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cccc(N(C)C)c1 ZINC000610392268 347678224 /nfs/dbraw/zinc/67/82/24/347678224.db2.gz STRFXVLUQLNPKW-UHFFFAOYSA-N 1 2 261.369 2.115 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cccc(N(C)C)c1 ZINC000610392268 347678226 /nfs/dbraw/zinc/67/82/26/347678226.db2.gz STRFXVLUQLNPKW-UHFFFAOYSA-N 1 2 261.369 2.115 20 30 CEEDLO CN(C)c1nc(C[NH2+]Cc2cc(C#N)cs2)cs1 ZINC000610488877 347684498 /nfs/dbraw/zinc/68/44/98/347684498.db2.gz OZWUIFPNVPZSGN-UHFFFAOYSA-N 1 2 278.406 2.432 20 30 CEEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CCCCC1 ZINC000610502261 347686648 /nfs/dbraw/zinc/68/66/48/347686648.db2.gz NDQORLWZLVZQLI-CQSZACIVSA-N 1 2 274.368 2.252 20 30 CEEDLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611386367 347771980 /nfs/dbraw/zinc/77/19/80/347771980.db2.gz ISDXRRZPACDNQK-LLVKDONJSA-N 1 2 282.347 2.467 20 30 CEEDLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611386893 347772130 /nfs/dbraw/zinc/77/21/30/347772130.db2.gz XEBSTEIYWGTSHD-WDEREUQCSA-N 1 2 286.335 2.499 20 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CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165348 347852665 /nfs/dbraw/zinc/85/26/65/347852665.db2.gz KEQVEZMMZPBINN-DOTOQJQBSA-N 1 2 285.391 2.442 20 30 CEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165348 347852666 /nfs/dbraw/zinc/85/26/66/347852666.db2.gz KEQVEZMMZPBINN-DOTOQJQBSA-N 1 2 285.391 2.442 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166040 347852933 /nfs/dbraw/zinc/85/29/33/347852933.db2.gz SSCCEMFBYVHNAQ-ZBFHGGJFSA-N 1 2 277.412 2.425 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166040 347852936 /nfs/dbraw/zinc/85/29/36/347852936.db2.gz SSCCEMFBYVHNAQ-ZBFHGGJFSA-N 1 2 277.412 2.425 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncns2)CC1 ZINC000612458844 347889812 /nfs/dbraw/zinc/88/98/12/347889812.db2.gz RQCHERUDMIRAGV-LBPRGKRZSA-N 1 2 299.403 2.293 20 30 CEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000614922134 348255295 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Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000616821202 348577295 /nfs/dbraw/zinc/57/72/95/348577295.db2.gz YLNBJESLGKXCNV-WURKVNMJSA-N 1 2 276.405 2.208 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000617777266 348788511 /nfs/dbraw/zinc/78/85/11/348788511.db2.gz LHWOYLNUKQFHIY-STQMWFEESA-N 1 2 261.369 2.403 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000617777266 348788515 /nfs/dbraw/zinc/78/85/15/348788515.db2.gz LHWOYLNUKQFHIY-STQMWFEESA-N 1 2 261.369 2.403 20 30 CEEDLO Cn1c[nH+]cc1CNc1nc2cc(Cl)ccn2c1C#N ZINC000357593676 233104122 /nfs/dbraw/zinc/10/41/22/233104122.db2.gz KJGNXWWTNWNVJV-UHFFFAOYSA-N 1 2 286.726 2.205 20 30 CEEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2)no1 ZINC000351999009 219283736 /nfs/dbraw/zinc/28/37/36/219283736.db2.gz ZZYJMURKPBPHJG-UHFFFAOYSA-N 1 2 299.330 2.358 20 30 CEEDLO CCn1c2ccccc2[nH+]c1NCc1nc(C#N)cs1 ZINC000357700913 233127927 /nfs/dbraw/zinc/12/79/27/233127927.db2.gz OGOSRDYIABJJRD-UHFFFAOYSA-N 1 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ZINC000092361152 180368084 /nfs/dbraw/zinc/36/80/84/180368084.db2.gz JQTRPVRMQBDTMV-LBPRGKRZSA-N 1 2 285.434 2.232 20 30 CEEDLO N#Cc1cnc(NCCNc2ccc3ccccc3[nH+]2)cn1 ZINC000106465034 186120377 /nfs/dbraw/zinc/12/03/77/186120377.db2.gz RZZSHMVIGCRPNH-UHFFFAOYSA-N 1 2 290.330 2.420 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000625710935 350552744 /nfs/dbraw/zinc/55/27/44/350552744.db2.gz BAVHROBGTHODFY-CQSZACIVSA-N 1 2 275.396 2.069 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000625710935 350552746 /nfs/dbraw/zinc/55/27/46/350552746.db2.gz BAVHROBGTHODFY-CQSZACIVSA-N 1 2 275.396 2.069 20 30 CEEDLO C[N@H+](CCC(F)(F)F)CC(=O)Nc1cccc(C#N)c1 ZINC000109120363 186244399 /nfs/dbraw/zinc/24/43/99/186244399.db2.gz NYWJUYMVRQOBSD-UHFFFAOYSA-N 1 2 285.269 2.381 20 30 CEEDLO C[N@@H+](CCC(F)(F)F)CC(=O)Nc1cccc(C#N)c1 ZINC000109120363 186244401 /nfs/dbraw/zinc/24/44/01/186244401.db2.gz NYWJUYMVRQOBSD-UHFFFAOYSA-N 1 2 285.269 2.381 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000131451667 366055194 /nfs/dbraw/zinc/05/51/94/366055194.db2.gz PNIZPRJTWBHHTM-MRXNPFEDSA-N 1 2 288.391 2.208 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000131451667 366055203 /nfs/dbraw/zinc/05/52/03/366055203.db2.gz PNIZPRJTWBHHTM-MRXNPFEDSA-N 1 2 288.391 2.208 20 30 CEEDLO Cc1nc(NC[C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000291718196 198069634 /nfs/dbraw/zinc/06/96/34/198069634.db2.gz WKKJSNZJFVACEC-NSHDSACASA-N 1 2 255.325 2.206 20 30 CEEDLO N#Cc1cc(NCC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000154038199 188118821 /nfs/dbraw/zinc/11/88/21/188118821.db2.gz BXVMGKYFXDIIKA-UHFFFAOYSA-N 1 2 299.296 2.321 20 30 CEEDLO C=C(C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000156545561 188268539 /nfs/dbraw/zinc/26/85/39/188268539.db2.gz HNWLXVVWNVGVIZ-ZDUSSCGKSA-N 1 2 297.349 2.443 20 30 CEEDLO CCC[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000131774290 366087531 /nfs/dbraw/zinc/08/75/31/366087531.db2.gz AOTWDSRSTUNCRN-OAHLLOKOSA-N 1 2 274.364 2.438 20 30 CEEDLO CCC[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000131774290 366087538 /nfs/dbraw/zinc/08/75/38/366087538.db2.gz AOTWDSRSTUNCRN-OAHLLOKOSA-N 1 2 274.364 2.438 20 30 CEEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)C(C)C ZINC000569543792 299208347 /nfs/dbraw/zinc/20/83/47/299208347.db2.gz KXNJDBKIQJFGRA-AWEZNQCLSA-N 1 2 260.337 2.154 20 30 CEEDLO Cc1nonc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271750716 191305881 /nfs/dbraw/zinc/30/58/81/191305881.db2.gz FQDMLPURNUKGJT-UHFFFAOYSA-N 1 2 254.293 2.029 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000338198456 366232902 /nfs/dbraw/zinc/23/29/02/366232902.db2.gz UMYFGLRFIBBDBU-GFCCVEGCSA-N 1 2 282.347 2.129 20 30 CEEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000669917603 540045359 /nfs/dbraw/zinc/04/53/59/540045359.db2.gz ZDELPFWCTAVEFV-AWEZNQCLSA-N 1 2 294.782 2.016 20 30 CEEDLO N#C[C@H]1C[N@@H+](Cc2ccco2)C[C@]12C(=O)Nc1ccccc12 ZINC000336383609 283069323 /nfs/dbraw/zinc/06/93/23/283069323.db2.gz BCQNZCUEWPTEON-SJCJKPOMSA-N 1 2 293.326 2.125 20 30 CEEDLO N#C[C@H]1C[N@H+](Cc2ccco2)C[C@]12C(=O)Nc1ccccc12 ZINC000336383609 283069324 /nfs/dbraw/zinc/06/93/24/283069324.db2.gz BCQNZCUEWPTEON-SJCJKPOMSA-N 1 2 293.326 2.125 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081932 540099114 /nfs/dbraw/zinc/09/91/14/540099114.db2.gz FBPIZILFPROOIA-LBPRGKRZSA-N 1 2 274.368 2.142 20 30 CEEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCCO1 ZINC000075641351 363480096 /nfs/dbraw/zinc/48/00/96/363480096.db2.gz ZLEHAFFKCMCFEM-CQSZACIVSA-N 1 2 298.346 2.219 20 30 CEEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCCO1 ZINC000075641351 363480105 /nfs/dbraw/zinc/48/01/05/363480105.db2.gz ZLEHAFFKCMCFEM-CQSZACIVSA-N 1 2 298.346 2.219 20 30 CEEDLO Cc1cc(NC[C@@]2(C)CCO[C@H]2C2CC2)c(C#N)c[nH+]1 ZINC000577723697 366387721 /nfs/dbraw/zinc/38/77/21/366387721.db2.gz HEESOMDWMCJELT-JKSUJKDBSA-N 1 2 271.364 2.301 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000577960467 366421884 /nfs/dbraw/zinc/42/18/84/366421884.db2.gz IDJGXFKGYGAEIM-HNNXBMFYSA-N 1 2 287.363 2.259 20 30 CEEDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000577960467 366421892 /nfs/dbraw/zinc/42/18/92/366421892.db2.gz IDJGXFKGYGAEIM-HNNXBMFYSA-N 1 2 287.363 2.259 20 30 CEEDLO N#Cc1ccncc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000338638722 366450046 /nfs/dbraw/zinc/45/00/46/366450046.db2.gz HGANIWIWVSZHML-UHFFFAOYSA-N 1 2 263.304 2.484 20 30 CEEDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000579205326 366608438 /nfs/dbraw/zinc/60/84/38/366608438.db2.gz BTTVPHXLFVZPHR-ZDUSSCGKSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000579205326 366608446 /nfs/dbraw/zinc/60/84/46/366608446.db2.gz BTTVPHXLFVZPHR-ZDUSSCGKSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1ccc(C[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000579361086 366632992 /nfs/dbraw/zinc/63/29/92/366632992.db2.gz OHYYYJRKJRFKLX-PBHICJAKSA-N 1 2 287.407 2.134 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000579478792 366651440 /nfs/dbraw/zinc/65/14/40/366651440.db2.gz CJHNZWUHDCISFT-WDEREUQCSA-N 1 2 275.308 2.076 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000579478792 366651446 /nfs/dbraw/zinc/65/14/46/366651446.db2.gz CJHNZWUHDCISFT-WDEREUQCSA-N 1 2 275.308 2.076 20 30 CEEDLO CCCC[N@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000177027140 189021955 /nfs/dbraw/zinc/02/19/55/189021955.db2.gz BDHDOFNLHDNNGS-UHFFFAOYSA-N 1 2 278.783 2.279 20 30 CEEDLO CCCC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000177027140 189021956 /nfs/dbraw/zinc/02/19/56/189021956.db2.gz BDHDOFNLHDNNGS-UHFFFAOYSA-N 1 2 278.783 2.279 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncnn1C ZINC000177058995 189025641 /nfs/dbraw/zinc/02/56/41/189025641.db2.gz OWSYATCHQXKOMC-UHFFFAOYSA-N 1 2 256.353 2.046 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncnn1C ZINC000177058995 189025642 /nfs/dbraw/zinc/02/56/42/189025642.db2.gz OWSYATCHQXKOMC-UHFFFAOYSA-N 1 2 256.353 2.046 20 30 CEEDLO CCC#C[C@@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000677047317 540975760 /nfs/dbraw/zinc/97/57/60/540975760.db2.gz WASRIBCTZRKXFW-OAHLLOKOSA-N 1 2 257.381 2.001 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](CC)CC#N ZINC000579975423 366733167 /nfs/dbraw/zinc/73/31/67/366733167.db2.gz SAVZOENVKSOYSK-LLVKDONJSA-N 1 2 264.325 2.410 20 30 CEEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCn3cc[nH+]c32)c1 ZINC000081952934 363748703 /nfs/dbraw/zinc/74/87/03/363748703.db2.gz NZBJSYATTDPADK-ZDUSSCGKSA-N 1 2 298.321 2.088 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000678049660 541073061 /nfs/dbraw/zinc/07/30/61/541073061.db2.gz OGZVDIZLPBAITC-HZPDHXFCSA-N 1 2 279.355 2.444 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000678049660 541073062 /nfs/dbraw/zinc/07/30/62/541073062.db2.gz OGZVDIZLPBAITC-HZPDHXFCSA-N 1 2 279.355 2.444 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225870 541232182 /nfs/dbraw/zinc/23/21/82/541232182.db2.gz RDSZLXIAPFOPFR-OLZOCXBDSA-N 1 2 256.365 2.091 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679225870 541232186 /nfs/dbraw/zinc/23/21/86/541232186.db2.gz RDSZLXIAPFOPFR-OLZOCXBDSA-N 1 2 256.365 2.091 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(C#N)o2)CC1(C)C ZINC000334626853 364098680 /nfs/dbraw/zinc/09/86/80/364098680.db2.gz AROGJEURNJEKNZ-LBPRGKRZSA-N 1 2 284.319 2.108 20 30 CEEDLO C=C(C)COCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356430924 370708194 /nfs/dbraw/zinc/70/81/94/370708194.db2.gz MLZWSIIUGFCKCL-UHFFFAOYSA-N 1 2 287.363 2.204 20 30 CEEDLO C[C@H](CC(=O)NCc1ccc(C#N)s1)n1cc[nH+]c1 ZINC000582006398 366847997 /nfs/dbraw/zinc/84/79/97/366847997.db2.gz IZBBMKSDVXBADZ-SNVBAGLBSA-N 1 2 274.349 2.084 20 30 CEEDLO Cn1ncc2c1CCC[N@H+](Cc1ccccc1C#N)C2 ZINC000335174878 364577747 /nfs/dbraw/zinc/57/77/47/364577747.db2.gz JFUCOXUOKWSLDY-UHFFFAOYSA-N 1 2 266.348 2.240 20 30 CEEDLO Cn1ncc2c1CCC[N@@H+](Cc1ccccc1C#N)C2 ZINC000335174878 364577749 /nfs/dbraw/zinc/57/77/49/364577749.db2.gz JFUCOXUOKWSLDY-UHFFFAOYSA-N 1 2 266.348 2.240 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000335420709 364712923 /nfs/dbraw/zinc/71/29/23/364712923.db2.gz REZKLUPUXQRWRZ-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000335420709 364712926 /nfs/dbraw/zinc/71/29/26/364712926.db2.gz REZKLUPUXQRWRZ-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000335423302 364715922 /nfs/dbraw/zinc/71/59/22/364715922.db2.gz JKEZBVUDJLLFGK-CYBMUJFWSA-N 1 2 280.418 2.328 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000335423302 364715923 /nfs/dbraw/zinc/71/59/23/364715923.db2.gz JKEZBVUDJLLFGK-CYBMUJFWSA-N 1 2 280.418 2.328 20 30 CEEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1F ZINC000335473980 364781346 /nfs/dbraw/zinc/78/13/46/364781346.db2.gz HYVZVYPPBAJGOU-LBPRGKRZSA-N 1 2 298.321 2.157 20 30 CEEDLO N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)cc1F ZINC000335473980 364781348 /nfs/dbraw/zinc/78/13/48/364781348.db2.gz HYVZVYPPBAJGOU-LBPRGKRZSA-N 1 2 298.321 2.157 20 30 CEEDLO N#CCCC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000335500536 364793066 /nfs/dbraw/zinc/79/30/66/364793066.db2.gz HYILAPWWKPENML-ZDUSSCGKSA-N 1 2 286.379 2.372 20 30 CEEDLO CC(=O)c1ccc(C#N)cc1N1CCn2cc(C)[nH+]c2C1 ZINC000680377092 541404166 /nfs/dbraw/zinc/40/41/66/541404166.db2.gz BKBBQKLCTPBIRE-UHFFFAOYSA-N 1 2 280.331 2.286 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)CC)Cc1ccc(OC)cc1 ZINC000118393990 365154924 /nfs/dbraw/zinc/15/49/24/365154924.db2.gz QPCWJWQDMSCUKT-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)CC)Cc1ccc(OC)cc1 ZINC000118393990 365154928 /nfs/dbraw/zinc/15/49/28/365154928.db2.gz QPCWJWQDMSCUKT-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275556977 193074380 /nfs/dbraw/zinc/07/43/80/193074380.db2.gz GWIDJPIJRWCJIY-XHDPSFHLSA-N 1 2 276.311 2.206 20 30 CEEDLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275556977 193074382 /nfs/dbraw/zinc/07/43/82/193074382.db2.gz GWIDJPIJRWCJIY-XHDPSFHLSA-N 1 2 276.311 2.206 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120048924 365365031 /nfs/dbraw/zinc/36/50/31/365365031.db2.gz JZZNYDPLXZTERR-UHFFFAOYSA-N 1 2 295.814 2.311 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120048924 365365035 /nfs/dbraw/zinc/36/50/35/365365035.db2.gz JZZNYDPLXZTERR-UHFFFAOYSA-N 1 2 295.814 2.311 20 30 CEEDLO C#CCCCC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000275785370 193127039 /nfs/dbraw/zinc/12/70/39/193127039.db2.gz XZPXJOHNGGYQEJ-HNNXBMFYSA-N 1 2 277.339 2.303 20 30 CEEDLO C=C(C)[C@@H](CO)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000680900439 541471033 /nfs/dbraw/zinc/47/10/33/541471033.db2.gz QOVXRFADIKSZBO-UKRRQHHQSA-N 1 2 280.437 2.364 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000583218974 367017997 /nfs/dbraw/zinc/01/79/97/367017997.db2.gz PJGYFXXXTUHUQV-ZDUSSCGKSA-N 1 2 295.346 2.352 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000160823678 367037141 /nfs/dbraw/zinc/03/71/41/367037141.db2.gz ZIKDQBUKABTRBY-UHFFFAOYSA-N 1 2 264.373 2.271 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nccn1C ZINC000160867910 367039316 /nfs/dbraw/zinc/03/93/16/367039316.db2.gz HWQWTSWOJIAWSB-GFCCVEGCSA-N 1 2 254.337 2.485 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nccn1C ZINC000160867910 367039324 /nfs/dbraw/zinc/03/93/24/367039324.db2.gz HWQWTSWOJIAWSB-GFCCVEGCSA-N 1 2 254.337 2.485 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nncn1C ZINC000162692080 367180041 /nfs/dbraw/zinc/18/00/41/367180041.db2.gz VMMHPBMCJQXQJJ-VIFPVBQESA-N 1 2 275.743 2.191 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000602864189 367217707 /nfs/dbraw/zinc/21/77/07/367217707.db2.gz QGMAZMOIPPXNBM-JHJVBQTASA-N 1 2 259.353 2.144 20 30 CEEDLO C=CCCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000342389649 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2 281.400 2.479 20 30 CEEDLO CC[N@H+](CC#N)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497110930 379052192 /nfs/dbraw/zinc/05/21/92/379052192.db2.gz YOXXQMHVJCFXFR-CYBMUJFWSA-N 1 2 281.400 2.479 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000278807056 194162949 /nfs/dbraw/zinc/16/29/49/194162949.db2.gz XAAZQVUCLSQAJY-ZIAGYGMSSA-N 1 2 289.379 2.097 20 30 CEEDLO N#Cc1nccnc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000301204071 379217312 /nfs/dbraw/zinc/21/73/12/379217312.db2.gz YAAIECAZUVMEPQ-UHFFFAOYSA-N 1 2 284.710 2.261 20 30 CEEDLO C=C(C)COCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302913299 379477209 /nfs/dbraw/zinc/47/72/09/379477209.db2.gz UNGLJRFVDUSCBV-UHFFFAOYSA-N 1 2 294.424 2.034 20 30 CEEDLO C=C(C)COCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302913299 379477210 /nfs/dbraw/zinc/47/72/10/379477210.db2.gz UNGLJRFVDUSCBV-UHFFFAOYSA-N 1 2 294.424 2.034 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000526004187 379693776 /nfs/dbraw/zinc/69/37/76/379693776.db2.gz VAVBSVOBRGTYAE-UHFFFAOYSA-N 1 2 294.358 2.381 20 30 CEEDLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459412666 380062892 /nfs/dbraw/zinc/06/28/92/380062892.db2.gz NJPLONZMYWQNFC-GHMZBOCLSA-N 1 2 289.335 2.200 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000538618370 380246050 /nfs/dbraw/zinc/24/60/50/380246050.db2.gz BZPDTHGEMDFRHB-GFCCVEGCSA-N 1 2 272.352 2.366 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000538618370 380246052 /nfs/dbraw/zinc/24/60/52/380246052.db2.gz BZPDTHGEMDFRHB-GFCCVEGCSA-N 1 2 272.352 2.366 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000334377682 380326086 /nfs/dbraw/zinc/32/60/86/380326086.db2.gz GJEYIYHKPOALSF-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000334377682 380326092 /nfs/dbraw/zinc/32/60/92/380326092.db2.gz GJEYIYHKPOALSF-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nnc(CCCCC)s1 ZINC000491370861 380312498 /nfs/dbraw/zinc/31/24/98/380312498.db2.gz BMYXAUYARFOQEK-LLVKDONJSA-N 1 2 294.424 2.163 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nnc(CCCCC)s1 ZINC000491370861 380312505 /nfs/dbraw/zinc/31/25/05/380312505.db2.gz BMYXAUYARFOQEK-LLVKDONJSA-N 1 2 294.424 2.163 20 30 CEEDLO C[C@@H]1CCN(C(=O)NCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000334385133 380338260 /nfs/dbraw/zinc/33/82/60/380338260.db2.gz MRJURIHOIOWEMP-CHWSQXEVSA-N 1 2 289.383 2.025 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279165792 194313908 /nfs/dbraw/zinc/31/39/08/194313908.db2.gz BNBOSVDRTPTBBQ-UHFFFAOYSA-N 1 2 280.331 2.452 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279165792 194313911 /nfs/dbraw/zinc/31/39/11/194313911.db2.gz BNBOSVDRTPTBBQ-UHFFFAOYSA-N 1 2 280.331 2.452 20 30 CEEDLO C[C@@H](O)C[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000555092831 380809372 /nfs/dbraw/zinc/80/93/72/380809372.db2.gz VPVGTOHEOBTALX-GFCCVEGCSA-N 1 2 287.388 2.398 20 30 CEEDLO C[C@@H](O)C[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000555092831 380809375 /nfs/dbraw/zinc/80/93/75/380809375.db2.gz VPVGTOHEOBTALX-GFCCVEGCSA-N 1 2 287.388 2.398 20 30 CEEDLO C=CCOCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000555417397 380825992 /nfs/dbraw/zinc/82/59/92/380825992.db2.gz NYMOSZOIOMRPOZ-UHFFFAOYSA-N 1 2 269.385 2.433 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000494658832 381161688 /nfs/dbraw/zinc/16/16/88/381161688.db2.gz ZUIFZXXUCUZJQU-AWEZNQCLSA-N 1 2 288.395 2.398 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccon1 ZINC000349234606 218826732 /nfs/dbraw/zinc/82/67/32/218826732.db2.gz FFRHEAIFHMTZRN-SNVBAGLBSA-N 1 2 257.293 2.406 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000352097575 533139495 /nfs/dbraw/zinc/13/94/95/533139495.db2.gz UDEZPZNEGLXXNY-VIFPVBQESA-N 1 2 260.263 2.037 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000352097575 533139501 /nfs/dbraw/zinc/13/95/01/533139501.db2.gz UDEZPZNEGLXXNY-VIFPVBQESA-N 1 2 260.263 2.037 20 30 CEEDLO N#Cc1cc(NCc2cn3c([nH+]2)CCCC3)ccn1 ZINC000288149444 197014425 /nfs/dbraw/zinc/01/44/25/197014425.db2.gz ZEEKKDKCOLUFEA-UHFFFAOYSA-N 1 2 253.309 2.098 20 30 CEEDLO C=C(C)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000275059731 134465688 /nfs/dbraw/zinc/46/56/88/134465688.db2.gz YVTWZNPGUHCZOC-UHFFFAOYSA-N 1 2 288.395 2.447 20 30 CEEDLO N#Cc1ccnc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301664729 394463672 /nfs/dbraw/zinc/46/36/72/394463672.db2.gz WCMNUIBBXOJYLX-UHFFFAOYSA-N 1 2 294.274 2.121 20 30 CEEDLO C#CCSCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000302049427 394470809 /nfs/dbraw/zinc/47/08/09/394470809.db2.gz MZUFKPCRUNNEML-UHFFFAOYSA-N 1 2 261.394 2.442 20 30 CEEDLO C[C@H](CNc1ncc(C#N)cc1F)Cn1cc[nH+]c1 ZINC000413087170 394480904 /nfs/dbraw/zinc/48/09/04/394480904.db2.gz YVOCHSQJQTWUPX-SNVBAGLBSA-N 1 2 259.288 2.037 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413270822 394517035 /nfs/dbraw/zinc/51/70/35/394517035.db2.gz PKOLWJFXHCJANI-RDBSUJKOSA-N 1 2 290.411 2.450 20 30 CEEDLO C=CC[C@H](CC)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413270822 394517038 /nfs/dbraw/zinc/51/70/38/394517038.db2.gz PKOLWJFXHCJANI-RDBSUJKOSA-N 1 2 290.411 2.450 20 30 CEEDLO O=C(C[C@@H]1CCCCO1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328979708 394558752 /nfs/dbraw/zinc/55/87/52/394558752.db2.gz XMPDYZQZVFINJA-MNOVXSKESA-N 1 2 263.341 2.183 20 30 CEEDLO O=C(C[C@@H]1CCCCO1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328979708 394558754 /nfs/dbraw/zinc/55/87/54/394558754.db2.gz XMPDYZQZVFINJA-MNOVXSKESA-N 1 2 263.341 2.183 20 30 CEEDLO C[N@@H+]1CCc2nc(NC(=O)[C@]3(C)CCOC3)sc2C1 ZINC000329443103 394564017 /nfs/dbraw/zinc/56/40/17/394564017.db2.gz NIQOCHHOYSLMKD-CYBMUJFWSA-N 1 2 281.381 2.146 20 30 CEEDLO C[N@H+]1CCc2nc(NC(=O)[C@]3(C)CCOC3)sc2C1 ZINC000329443103 394564020 /nfs/dbraw/zinc/56/40/20/394564020.db2.gz NIQOCHHOYSLMKD-CYBMUJFWSA-N 1 2 281.381 2.146 20 30 CEEDLO Cc1ncc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)s1 ZINC000329506784 394568852 /nfs/dbraw/zinc/56/88/52/394568852.db2.gz WVKFLSLPHQQCBM-UHFFFAOYSA-N 1 2 278.381 2.286 20 30 CEEDLO Cc1ncc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)s1 ZINC000329506784 394568857 /nfs/dbraw/zinc/56/88/57/394568857.db2.gz WVKFLSLPHQQCBM-UHFFFAOYSA-N 1 2 278.381 2.286 20 30 CEEDLO O=C(CC[C@@H]1CCCO1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329629470 394577396 /nfs/dbraw/zinc/57/73/96/394577396.db2.gz VBAAYTXJAAPGSK-QWRGUYRKSA-N 1 2 263.341 2.183 20 30 CEEDLO O=C(CC[C@@H]1CCCO1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329629470 394577399 /nfs/dbraw/zinc/57/73/99/394577399.db2.gz VBAAYTXJAAPGSK-QWRGUYRKSA-N 1 2 263.341 2.183 20 30 CEEDLO Cc1ccc(CCNc2nnc(C)c(C)c2C#N)[nH+]c1 ZINC000413349675 394532447 /nfs/dbraw/zinc/53/24/47/394532447.db2.gz SVWSXBWXFZDKGX-UHFFFAOYSA-N 1 2 267.336 2.323 20 30 CEEDLO Cc1csc(NC(=O)[C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000049750151 394551128 /nfs/dbraw/zinc/55/11/28/394551128.db2.gz GFRNUNZKZBPLRM-NSHDSACASA-N 1 2 278.381 2.016 20 30 CEEDLO Cc1csc(NC(=O)[C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000049750151 394551131 /nfs/dbraw/zinc/55/11/31/394551131.db2.gz GFRNUNZKZBPLRM-NSHDSACASA-N 1 2 278.381 2.016 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)c1cccc(CC#N)c1 ZINC000049727762 394551926 /nfs/dbraw/zinc/55/19/26/394551926.db2.gz VYEGEJZMLXUBLQ-UHFFFAOYSA-N 1 2 280.331 2.466 20 30 CEEDLO O=C(COC1CCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328926805 394557167 /nfs/dbraw/zinc/55/71/67/394557167.db2.gz FKSWDBPEFRRFEO-SNVBAGLBSA-N 1 2 263.341 2.183 20 30 CEEDLO O=C(COC1CCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328926805 394557169 /nfs/dbraw/zinc/55/71/69/394557169.db2.gz FKSWDBPEFRRFEO-SNVBAGLBSA-N 1 2 263.341 2.183 20 30 CEEDLO CC1(C)Cc2cccc(C[NH+]3CCN(CC#N)CC3)c2O1 ZINC000092936235 394662905 /nfs/dbraw/zinc/66/29/05/394662905.db2.gz AUNMUIOSRGOYKB-UHFFFAOYSA-N 1 2 285.391 2.041 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccnc1N1CCCC1 ZINC000329938867 394596407 /nfs/dbraw/zinc/59/64/07/394596407.db2.gz SSJFVKPLRJJCLJ-UHFFFAOYSA-N 1 2 285.351 2.218 20 30 CEEDLO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330463666 394612691 /nfs/dbraw/zinc/61/26/91/394612691.db2.gz UAISWDDUQCMQNC-MRVPVSSYSA-N 1 2 275.356 2.004 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c[nH+]1 ZINC000330459212 394612892 /nfs/dbraw/zinc/61/28/92/394612892.db2.gz QELCYSUCJCCFNS-SSDOTTSWSA-N 1 2 277.328 2.464 20 30 CEEDLO CC[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000330538078 394617998 /nfs/dbraw/zinc/61/79/98/394617998.db2.gz WREOAHOLKGJVHW-NWDGAFQWSA-N 1 2 250.346 2.060 20 30 CEEDLO CC[C@@H]1CCCN1C([O-])=[NH+][C@@H](C)Cn1cc[nH+]c1 ZINC000330538078 394618002 /nfs/dbraw/zinc/61/80/02/394618002.db2.gz WREOAHOLKGJVHW-NWDGAFQWSA-N 1 2 250.346 2.060 20 30 CEEDLO N#CC1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCOCC1 ZINC000265448041 394649611 /nfs/dbraw/zinc/64/96/11/394649611.db2.gz CBDZDDGQGIHQET-UHFFFAOYSA-N 1 2 296.330 2.336 20 30 CEEDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N ZINC000268322958 394692789 /nfs/dbraw/zinc/69/27/89/394692789.db2.gz UPMIAYBJQMFEIL-LSDHHAIUSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000268322958 394692791 /nfs/dbraw/zinc/69/27/91/394692791.db2.gz UPMIAYBJQMFEIL-LSDHHAIUSA-N 1 2 276.380 2.277 20 30 CEEDLO C[C@H]1CC[N@@H+]2[C@H](C1)C(=O)NC21CCC(C)(C#N)CC1 ZINC000334841654 394714289 /nfs/dbraw/zinc/71/42/89/394714289.db2.gz PXOSSQQMQWJLRM-CZWNDGCPSA-N 1 2 261.369 2.017 20 30 CEEDLO C[C@H]1CC[N@H+]2[C@H](C1)C(=O)NC21CCC(C)(C#N)CC1 ZINC000334841654 394714296 /nfs/dbraw/zinc/71/42/96/394714296.db2.gz PXOSSQQMQWJLRM-CZWNDGCPSA-N 1 2 261.369 2.017 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000271128582 394747796 /nfs/dbraw/zinc/74/77/96/394747796.db2.gz MICDKJJBJRNHDS-LBPRGKRZSA-N 1 2 269.352 2.074 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000271128582 394747797 /nfs/dbraw/zinc/74/77/97/394747797.db2.gz MICDKJJBJRNHDS-LBPRGKRZSA-N 1 2 269.352 2.074 20 30 CEEDLO CC#CCC[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000360438643 394801285 /nfs/dbraw/zinc/80/12/85/394801285.db2.gz SECLGOOVOOBGKH-LLVKDONJSA-N 1 2 251.330 2.012 20 30 CEEDLO CC#CCC[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000360438643 394801286 /nfs/dbraw/zinc/80/12/86/394801286.db2.gz SECLGOOVOOBGKH-LLVKDONJSA-N 1 2 251.330 2.012 20 30 CEEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000361088711 394814773 /nfs/dbraw/zinc/81/47/73/394814773.db2.gz RJXPWXKJRXUYCE-PXAZEXFGSA-N 1 2 283.375 2.372 20 30 CEEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000361088711 394814778 /nfs/dbraw/zinc/81/47/78/394814778.db2.gz RJXPWXKJRXUYCE-PXAZEXFGSA-N 1 2 283.375 2.372 20 30 CEEDLO CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)NCC#N)o1 ZINC000124862231 394839959 /nfs/dbraw/zinc/83/99/59/394839959.db2.gz CUKCFOYKOIOKIV-CYBMUJFWSA-N 1 2 275.352 2.009 20 30 CEEDLO CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)NCC#N)o1 ZINC000124862231 394839963 /nfs/dbraw/zinc/83/99/63/394839963.db2.gz CUKCFOYKOIOKIV-CYBMUJFWSA-N 1 2 275.352 2.009 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000362378807 394858333 /nfs/dbraw/zinc/85/83/33/394858333.db2.gz HBMIQAVRBALKHI-LBPRGKRZSA-N 1 2 274.368 2.056 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000338958343 394933983 /nfs/dbraw/zinc/93/39/83/394933983.db2.gz PXPJRXCIFNLURZ-OAHLLOKOSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000338958343 394933986 /nfs/dbraw/zinc/93/39/86/394933986.db2.gz PXPJRXCIFNLURZ-OAHLLOKOSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1OC ZINC000338997776 394934979 /nfs/dbraw/zinc/93/49/79/394934979.db2.gz BFVOCLKWNYGKDZ-MRXNPFEDSA-N 1 2 295.354 2.166 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1OC ZINC000338997776 394934982 /nfs/dbraw/zinc/93/49/82/394934982.db2.gz BFVOCLKWNYGKDZ-MRXNPFEDSA-N 1 2 295.354 2.166 20 30 CEEDLO N#C[C@@H]1N(CCCn2cc[nH+]c2)CCC[C@]12CCCCO2 ZINC000366091722 394937653 /nfs/dbraw/zinc/93/76/53/394937653.db2.gz MFDHQRMPVWAWFW-JKSUJKDBSA-N 1 2 288.395 2.200 20 30 CEEDLO COc1ccc(O)c(/C=N/[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000133115374 394945491 /nfs/dbraw/zinc/94/54/91/394945491.db2.gz UPYAEVKDGCAMIK-HIPSJFSSSA-N 1 2 297.358 2.494 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366790879 394952729 /nfs/dbraw/zinc/95/27/29/394952729.db2.gz WLUHPECXLNDQRQ-SECBINFHSA-N 1 2 287.285 2.407 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000370784267 395012004 /nfs/dbraw/zinc/01/20/04/395012004.db2.gz VLOGLCHFWMSVMD-ZDUSSCGKSA-N 1 2 291.420 2.481 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC000370784267 395012007 /nfs/dbraw/zinc/01/20/07/395012007.db2.gz VLOGLCHFWMSVMD-ZDUSSCGKSA-N 1 2 291.420 2.481 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000370784266 395012059 /nfs/dbraw/zinc/01/20/59/395012059.db2.gz VLOGLCHFWMSVMD-CYBMUJFWSA-N 1 2 291.420 2.481 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000370784266 395012061 /nfs/dbraw/zinc/01/20/61/395012061.db2.gz VLOGLCHFWMSVMD-CYBMUJFWSA-N 1 2 291.420 2.481 20 30 CEEDLO C=C(C)[C@H](CC(=O)NCc1ccc[nH+]c1N(C)C)OCC ZINC000339420757 394958867 /nfs/dbraw/zinc/95/88/67/394958867.db2.gz AULFZIRPLUNFGO-AWEZNQCLSA-N 1 2 291.395 2.135 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000134914174 394960453 /nfs/dbraw/zinc/96/04/53/394960453.db2.gz RVAHMLRVGGOPPR-KRWDZBQOSA-N 1 2 287.407 2.328 20 30 CEEDLO CC#CC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000135265590 394965014 /nfs/dbraw/zinc/96/50/14/394965014.db2.gz WTBARYMLHZGAHE-GFCCVEGCSA-N 1 2 255.321 2.334 20 30 CEEDLO C[N@H+](CCOCCC#N)Cc1c(F)cccc1F ZINC000339601469 394965828 /nfs/dbraw/zinc/96/58/28/394965828.db2.gz GXKFRSDXQRSYJL-UHFFFAOYSA-N 1 2 254.280 2.327 20 30 CEEDLO C[N@@H+](CCOCCC#N)Cc1c(F)cccc1F ZINC000339601469 394965833 /nfs/dbraw/zinc/96/58/33/394965833.db2.gz GXKFRSDXQRSYJL-UHFFFAOYSA-N 1 2 254.280 2.327 20 30 CEEDLO C[C@H](C#N)CN(Cc1cccc2[nH+]ccn21)C1CC1 ZINC000342904198 395026272 /nfs/dbraw/zinc/02/62/72/395026272.db2.gz TULSTXDKBSIGBQ-GFCCVEGCSA-N 1 2 254.337 2.458 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000339762247 394970396 /nfs/dbraw/zinc/97/03/96/394970396.db2.gz YOCDBTGXPTWKBO-GFCCVEGCSA-N 1 2 262.328 2.416 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000339762247 394970399 /nfs/dbraw/zinc/97/03/99/394970399.db2.gz YOCDBTGXPTWKBO-GFCCVEGCSA-N 1 2 262.328 2.416 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCCSc1ccc(C)cc1 ZINC000339765004 394970677 /nfs/dbraw/zinc/97/06/77/394970677.db2.gz XSJQIXREJVMVPD-UHFFFAOYSA-N 1 2 290.432 2.158 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NCCSc1ccc(C)cc1 ZINC000339765004 394970679 /nfs/dbraw/zinc/97/06/79/394970679.db2.gz XSJQIXREJVMVPD-UHFFFAOYSA-N 1 2 290.432 2.158 20 30 CEEDLO CC#CC[N@H+](C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000339764973 394970862 /nfs/dbraw/zinc/97/08/62/394970862.db2.gz WNQKYYVTRLFRMO-OAHLLOKOSA-N 1 2 274.339 2.276 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000339764973 394970866 /nfs/dbraw/zinc/97/08/66/394970866.db2.gz WNQKYYVTRLFRMO-OAHLLOKOSA-N 1 2 274.339 2.276 20 30 CEEDLO Cc1cc(NC[C@@]2(O)CCCC(C)(C)C2)c(C#N)c[nH+]1 ZINC000425252093 395055014 /nfs/dbraw/zinc/05/50/14/395055014.db2.gz GSCXLPLRQWKSPP-MRXNPFEDSA-N 1 2 273.380 2.427 20 30 CEEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374023302 395070031 /nfs/dbraw/zinc/07/00/31/395070031.db2.gz AINRPWAVJQXGAY-KLHDSHLOSA-N 1 2 291.395 2.088 20 30 CEEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374023302 395070034 /nfs/dbraw/zinc/07/00/34/395070034.db2.gz AINRPWAVJQXGAY-KLHDSHLOSA-N 1 2 291.395 2.088 20 30 CEEDLO C[C@H](C#N)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000345815652 395079257 /nfs/dbraw/zinc/07/92/57/395079257.db2.gz MDEVZKMWKQWFDR-LLVKDONJSA-N 1 2 292.408 2.473 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCc2nc(C(C)C)no2)cc1F ZINC000172412252 395102690 /nfs/dbraw/zinc/10/26/90/395102690.db2.gz ZAGUKLLBYFIYJO-UHFFFAOYSA-N 1 2 292.314 2.478 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC000287169476 395034753 /nfs/dbraw/zinc/03/47/53/395034753.db2.gz GXFGQHFOKMPDAS-MRXNPFEDSA-N 1 2 281.359 2.024 20 30 CEEDLO C=CCOc1ccccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287555097 395042905 /nfs/dbraw/zinc/04/29/05/395042905.db2.gz UUNUUQGYCBRDIY-UHFFFAOYSA-N 1 2 285.347 2.224 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428415347 395146510 /nfs/dbraw/zinc/14/65/10/395146510.db2.gz UUZNQROURRTLMI-ZDUSSCGKSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428415347 395146516 /nfs/dbraw/zinc/14/65/16/395146516.db2.gz UUZNQROURRTLMI-ZDUSSCGKSA-N 1 2 289.354 2.188 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@H+](C)CCC#N)cc1 ZINC000177191520 395147365 /nfs/dbraw/zinc/14/73/65/395147365.db2.gz IHWALUUEUJDEBB-UHFFFAOYSA-N 1 2 273.336 2.063 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)CCC#N)cc1 ZINC000177191520 395147373 /nfs/dbraw/zinc/14/73/73/395147373.db2.gz IHWALUUEUJDEBB-UHFFFAOYSA-N 1 2 273.336 2.063 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000293245112 395225919 /nfs/dbraw/zinc/22/59/19/395225919.db2.gz SYTQWMOFWLHYGD-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000293245112 395225925 /nfs/dbraw/zinc/22/59/25/395225925.db2.gz SYTQWMOFWLHYGD-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000182179568 395235242 /nfs/dbraw/zinc/23/52/42/395235242.db2.gz QOFRBUXIUBJESV-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000182179568 395235246 /nfs/dbraw/zinc/23/52/46/395235246.db2.gz QOFRBUXIUBJESV-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(F)(C#N)CC1 ZINC000352448008 395254247 /nfs/dbraw/zinc/25/42/47/395254247.db2.gz DMGVKLWOXOWFAK-NSHDSACASA-N 1 2 295.383 2.080 20 30 CEEDLO C=CCCCCNC(=O)NCc1c[nH+]ccc1OC ZINC000292944093 395210263 /nfs/dbraw/zinc/21/02/63/395210263.db2.gz GEXUDMMTSSBYBX-UHFFFAOYSA-N 1 2 263.341 2.246 20 30 CEEDLO C=CCC(F)(F)C(=O)OCc1c[nH+]ccc1OC ZINC000293004888 395213281 /nfs/dbraw/zinc/21/32/81/395213281.db2.gz DEGTWAADMXMHKW-UHFFFAOYSA-N 1 2 257.236 2.345 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000293147025 395220766 /nfs/dbraw/zinc/22/07/66/395220766.db2.gz NXRVPWARSNYGFT-JTQLQIEISA-N 1 2 265.382 2.042 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000293147025 395220771 /nfs/dbraw/zinc/22/07/71/395220771.db2.gz NXRVPWARSNYGFT-JTQLQIEISA-N 1 2 265.382 2.042 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000293161356 395222073 /nfs/dbraw/zinc/22/20/73/395222073.db2.gz OUCWEHITQIXPFX-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000293161356 395222076 /nfs/dbraw/zinc/22/20/76/395222076.db2.gz OUCWEHITQIXPFX-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO COCc1ccc(NCc2[nH+]ccn2C)cc1C#N ZINC000527762343 395280493 /nfs/dbraw/zinc/28/04/93/395280493.db2.gz KEPXKZJFFGWVID-UHFFFAOYSA-N 1 2 256.309 2.050 20 30 CEEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411292868 395324998 /nfs/dbraw/zinc/32/49/98/395324998.db2.gz NAJCUTQCAGRTDN-CYBMUJFWSA-N 1 2 263.385 2.061 20 30 CEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411292868 395325004 /nfs/dbraw/zinc/32/50/04/395325004.db2.gz NAJCUTQCAGRTDN-CYBMUJFWSA-N 1 2 263.385 2.061 20 30 CEEDLO C=CCCC[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353011193 395283412 /nfs/dbraw/zinc/28/34/12/395283412.db2.gz YPSLUCAJIPFWQE-LLVKDONJSA-N 1 2 278.318 2.438 20 30 CEEDLO C=CCCC[C@@H](C)[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353011193 395283417 /nfs/dbraw/zinc/28/34/17/395283417.db2.gz YPSLUCAJIPFWQE-LLVKDONJSA-N 1 2 278.318 2.438 20 30 CEEDLO Cc1cc(NC[C@H](n2cccn2)C(F)(F)F)c(C#N)c[nH+]1 ZINC000528084323 395284611 /nfs/dbraw/zinc/28/46/11/395284611.db2.gz WAOXJIQELYKKMR-LBPRGKRZSA-N 1 2 295.268 2.096 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1O ZINC000188401220 395314638 /nfs/dbraw/zinc/31/46/38/395314638.db2.gz FHRMNLJJBYIVQW-CYBMUJFWSA-N 1 2 296.330 2.354 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](C)[S@]1=O ZINC000352888708 395274441 /nfs/dbraw/zinc/27/44/41/395274441.db2.gz PMOPZHSWDJUVDH-GQWAEJPESA-N 1 2 290.432 2.484 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](C)[S@]1=O ZINC000352888708 395274446 /nfs/dbraw/zinc/27/44/46/395274446.db2.gz PMOPZHSWDJUVDH-GQWAEJPESA-N 1 2 290.432 2.484 20 30 CEEDLO Cc1[nH+]c2cc(CNC(=O)[C@@H](C)C#N)ccc2n1C1CC1 ZINC000412331363 395355006 /nfs/dbraw/zinc/35/50/06/395355006.db2.gz NPTIEGGALFGISX-JTQLQIEISA-N 1 2 282.347 2.456 20 30 CEEDLO CCN1CC[N@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1=O ZINC000411565882 395330104 /nfs/dbraw/zinc/33/01/04/395330104.db2.gz GBOULUUNGUEHRW-AWEZNQCLSA-N 1 2 277.412 2.403 20 30 CEEDLO CCN1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1=O ZINC000411565882 395330105 /nfs/dbraw/zinc/33/01/05/395330105.db2.gz GBOULUUNGUEHRW-AWEZNQCLSA-N 1 2 277.412 2.403 20 30 CEEDLO N#CCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000411515024 395330718 /nfs/dbraw/zinc/33/07/18/395330718.db2.gz YRGWKBQTXQUMBA-LBPRGKRZSA-N 1 2 283.169 2.376 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000191116538 395349951 /nfs/dbraw/zinc/34/99/51/395349951.db2.gz GMCLRIZHLALQGF-ZDUSSCGKSA-N 1 2 287.363 2.020 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000191116538 395349954 /nfs/dbraw/zinc/34/99/54/395349954.db2.gz GMCLRIZHLALQGF-ZDUSSCGKSA-N 1 2 287.363 2.020 20 30 CEEDLO COCc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000529815437 395448628 /nfs/dbraw/zinc/44/86/28/395448628.db2.gz YUDRRTADGSYISO-LLVKDONJSA-N 1 2 298.346 2.245 20 30 CEEDLO COCc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000529815437 395448630 /nfs/dbraw/zinc/44/86/30/395448630.db2.gz YUDRRTADGSYISO-LLVKDONJSA-N 1 2 298.346 2.245 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000567895564 395539970 /nfs/dbraw/zinc/53/99/70/395539970.db2.gz OALNAXLDNGFMJN-UHFFFAOYSA-N 1 2 296.378 2.363 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000567895564 395539973 /nfs/dbraw/zinc/53/99/73/395539973.db2.gz OALNAXLDNGFMJN-UHFFFAOYSA-N 1 2 296.378 2.363 20 30 CEEDLO CSc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000573200001 395602541 /nfs/dbraw/zinc/60/25/41/395602541.db2.gz RUYTXBQRSGSBHU-CYBMUJFWSA-N 1 2 279.409 2.027 20 30 CEEDLO CSc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000573200001 395602543 /nfs/dbraw/zinc/60/25/43/395602543.db2.gz RUYTXBQRSGSBHU-CYBMUJFWSA-N 1 2 279.409 2.027 20 30 CEEDLO C[N@@H+]1CCO[C@@H](CSc2ncc(C#N)cc2Cl)C1 ZINC000573365729 395606920 /nfs/dbraw/zinc/60/69/20/395606920.db2.gz VGGSRYCZINSDNK-SNVBAGLBSA-N 1 2 283.784 2.029 20 30 CEEDLO C[N@H+]1CCO[C@@H](CSc2ncc(C#N)cc2Cl)C1 ZINC000573365729 395606922 /nfs/dbraw/zinc/60/69/22/395606922.db2.gz VGGSRYCZINSDNK-SNVBAGLBSA-N 1 2 283.784 2.029 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000568528205 395563243 /nfs/dbraw/zinc/56/32/43/395563243.db2.gz ANOGMJBYXJOBKQ-BXUZGUMPSA-N 1 2 287.363 2.498 20 30 CEEDLO Cc1csc(NC(=O)C[NH+]2CCC(CCC#N)CC2)n1 ZINC000569217906 395575352 /nfs/dbraw/zinc/57/53/52/395575352.db2.gz OUYJQHWIEAHUKG-UHFFFAOYSA-N 1 2 292.408 2.406 20 30 CEEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1F ZINC000570726429 395583501 /nfs/dbraw/zinc/58/35/01/395583501.db2.gz ARGPSNAWROZGRW-LRDDRELGSA-N 1 2 291.370 2.279 20 30 CEEDLO CC1CC(C#N)(C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000572831184 395589432 /nfs/dbraw/zinc/58/94/32/395589432.db2.gz LOXGXWXHRFDIDZ-UHFFFAOYSA-N 1 2 258.325 2.098 20 30 CEEDLO CO[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459337192 395666013 /nfs/dbraw/zinc/66/60/13/395666013.db2.gz KIJINFPULSATGH-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO CO[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459337192 395666014 /nfs/dbraw/zinc/66/60/14/395666014.db2.gz KIJINFPULSATGH-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO N#Cc1nc(NCCCNc2cccc[nH+]2)ccc1Cl ZINC000486963624 395667035 /nfs/dbraw/zinc/66/70/35/395667035.db2.gz GHMXQGBTDBKCSB-UHFFFAOYSA-N 1 2 287.754 2.338 20 30 CEEDLO C=CC[N@@H+](CCc1c[nH]nn1)Cc1ccccc1F ZINC000647960230 395785571 /nfs/dbraw/zinc/78/55/71/395785571.db2.gz LUSNHOZSPPBFDG-UHFFFAOYSA-N 1 2 260.316 2.175 20 30 CEEDLO C=CC[N@H+](CCc1c[nH]nn1)Cc1ccccc1F ZINC000647960230 395785573 /nfs/dbraw/zinc/78/55/73/395785573.db2.gz LUSNHOZSPPBFDG-UHFFFAOYSA-N 1 2 260.316 2.175 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591775 400245878 /nfs/dbraw/zinc/24/58/78/400245878.db2.gz NNQQJERNSOPZIW-JTQLQIEISA-N 1 2 271.280 2.164 20 30 CEEDLO Cc1nc(N2CC[NH+](C3CC3)CC2)c(Cl)cc1C#N ZINC000292790536 400322078 /nfs/dbraw/zinc/32/20/78/400322078.db2.gz XZQLOPKEODWLOE-UHFFFAOYSA-N 1 2 276.771 2.200 20 30 CEEDLO C#CCC(CC#C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000287705996 400321208 /nfs/dbraw/zinc/32/12/08/400321208.db2.gz NEFMCJTZCFWFJV-UHFFFAOYSA-N 1 2 298.386 2.328 20 30 CEEDLO C#CC[N@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000306606414 400335075 /nfs/dbraw/zinc/33/50/75/400335075.db2.gz RMKNQIVCTSPOAH-JGVFFNPUSA-N 1 2 293.002 2.057 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000306606414 400335078 /nfs/dbraw/zinc/33/50/78/400335078.db2.gz RMKNQIVCTSPOAH-JGVFFNPUSA-N 1 2 293.002 2.057 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000491710826 400595509 /nfs/dbraw/zinc/59/55/09/400595509.db2.gz TWNWIISPGJCUKZ-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000491710826 400595513 /nfs/dbraw/zinc/59/55/13/400595513.db2.gz TWNWIISPGJCUKZ-JTQLQIEISA-N 1 2 295.180 2.341 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192163394 153201408 /nfs/dbraw/zinc/20/14/08/153201408.db2.gz IJMJFHUUQGQATJ-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192163394 153201412 /nfs/dbraw/zinc/20/14/12/153201412.db2.gz IJMJFHUUQGQATJ-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1ncccc1C#N)CCC2 ZINC000376639051 157251102 /nfs/dbraw/zinc/25/11/02/157251102.db2.gz ZQKQFKOGMDMGNQ-ZDUSSCGKSA-N 1 2 267.336 2.448 20 30 CEEDLO C[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329739846 287252241 /nfs/dbraw/zinc/25/22/41/287252241.db2.gz NSGXOLSKNNUWSL-NEPJUHHUSA-N 1 2 276.384 2.303 20 30 CEEDLO C[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329739846 287252242 /nfs/dbraw/zinc/25/22/42/287252242.db2.gz NSGXOLSKNNUWSL-NEPJUHHUSA-N 1 2 276.384 2.303 20 30 CEEDLO Cc1noc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)n1 ZINC000285470484 196294533 /nfs/dbraw/zinc/29/45/33/196294533.db2.gz ATAPJZXEGGUGOK-CQSZACIVSA-N 1 2 298.346 2.466 20 30 CEEDLO Cc1noc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)n1 ZINC000285470484 196294535 /nfs/dbraw/zinc/29/45/35/196294535.db2.gz ATAPJZXEGGUGOK-CQSZACIVSA-N 1 2 298.346 2.466 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)n1 ZINC000285470480 196294696 /nfs/dbraw/zinc/29/46/96/196294696.db2.gz ATAPJZXEGGUGOK-AWEZNQCLSA-N 1 2 298.346 2.466 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)n1 ZINC000285470480 196294698 /nfs/dbraw/zinc/29/46/98/196294698.db2.gz ATAPJZXEGGUGOK-AWEZNQCLSA-N 1 2 298.346 2.466 20 30 CEEDLO COC(=O)c1cnoc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000285530828 196317235 /nfs/dbraw/zinc/31/72/35/196317235.db2.gz GYLDAVRLJNVWDF-SNVBAGLBSA-N 1 2 285.303 2.184 20 30 CEEDLO C=CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000660285182 414754665 /nfs/dbraw/zinc/75/46/65/414754665.db2.gz CFBXVSKQIBRPCH-AWEZNQCLSA-N 1 2 284.363 2.385 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(SC)c2)nn1 ZINC000657424916 414928920 /nfs/dbraw/zinc/92/89/20/414928920.db2.gz KIFMKFHRLFHSSH-UHFFFAOYSA-N 1 2 289.408 2.261 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cccc(O)c2)nn1 ZINC000653603466 415051241 /nfs/dbraw/zinc/05/12/41/415051241.db2.gz OJKLZNARMXBYMI-LBPRGKRZSA-N 1 2 272.352 2.411 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)nn1 ZINC000653568936 415040907 /nfs/dbraw/zinc/04/09/07/415040907.db2.gz UXMSQFCUVAITGJ-OAHLLOKOSA-N 1 2 278.400 2.101 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)nn1 ZINC000653568936 415040911 /nfs/dbraw/zinc/04/09/11/415040911.db2.gz UXMSQFCUVAITGJ-OAHLLOKOSA-N 1 2 278.400 2.101 20 30 CEEDLO C=CC[N@H+](Cc1nc(C(F)F)no1)[C@H](C)COC ZINC000661240603 415152820 /nfs/dbraw/zinc/15/28/20/415152820.db2.gz RWMABVFHQFDROS-MRVPVSSYSA-N 1 2 261.272 2.030 20 30 CEEDLO C=CC[N@@H+](Cc1nc(C(F)F)no1)[C@H](C)COC ZINC000661240603 415152826 /nfs/dbraw/zinc/15/28/26/415152826.db2.gz RWMABVFHQFDROS-MRVPVSSYSA-N 1 2 261.272 2.030 20 30 CEEDLO CCOC(=O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000071140364 176038400 /nfs/dbraw/zinc/03/84/00/176038400.db2.gz OXRUONBALFEVNY-UHFFFAOYSA-N 1 2 290.338 2.472 20 30 CEEDLO C=CCOCC[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662241849 415704613 /nfs/dbraw/zinc/70/46/13/415704613.db2.gz XMNVCDNJHOWLNU-WDEREUQCSA-N 1 2 267.291 2.231 20 30 CEEDLO C=CCOCC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662241849 415704618 /nfs/dbraw/zinc/70/46/18/415704618.db2.gz XMNVCDNJHOWLNU-WDEREUQCSA-N 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/nfs/dbraw/zinc/65/74/79/196657479.db2.gz XJDDUAVAWNXFHR-ZDUSSCGKSA-N 1 2 266.291 2.414 20 30 CEEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331638008 228115847 /nfs/dbraw/zinc/11/58/47/228115847.db2.gz JPGQEFLFEOWIPM-YUELXQCFSA-N 1 2 283.375 2.246 20 30 CEEDLO O=C(C[C@H]1CCOC1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330197072 228062154 /nfs/dbraw/zinc/06/21/54/228062154.db2.gz RHNCHLUWXODZIV-VXGBXAGGSA-N 1 2 263.341 2.144 20 30 CEEDLO C=CCOCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000666523534 419706408 /nfs/dbraw/zinc/70/64/08/419706408.db2.gz UTGYATVSNAWUEJ-CYBMUJFWSA-N 1 2 292.383 2.239 20 30 CEEDLO C#CCO[C@@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000297872566 260136495 /nfs/dbraw/zinc/13/64/95/260136495.db2.gz UQSYZVYHYSDCTG-NSHDSACASA-N 1 2 257.293 2.075 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nnnn1C ZINC000298080504 260143091 /nfs/dbraw/zinc/14/30/91/260143091.db2.gz KBBMCQYNFULLEB-ZDUSSCGKSA-N 1 2 271.368 2.002 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nnnn1C ZINC000298080504 260143093 /nfs/dbraw/zinc/14/30/93/260143093.db2.gz KBBMCQYNFULLEB-ZDUSSCGKSA-N 1 2 271.368 2.002 20 30 CEEDLO C#CC[NH+](CC#C)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000299231534 260175594 /nfs/dbraw/zinc/17/55/94/260175594.db2.gz JLXNTGXRQMLTOA-LLVKDONJSA-N 1 2 259.305 2.004 20 30 CEEDLO OC(=Cc1csc(-c2ccoc2)n1)NC1=[NH+]CCS1 ZINC000078024710 260298984 /nfs/dbraw/zinc/29/89/84/260298984.db2.gz XBZLCHVTZWIXNI-UHFFFAOYSA-N 1 2 293.373 2.165 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nccn1C(F)F ZINC000081081366 260330468 /nfs/dbraw/zinc/33/04/68/260330468.db2.gz WYDNECAQHCNAQY-VIFPVBQESA-N 1 2 290.314 2.128 20 30 CEEDLO N#Cc1nn(CCCn2cc[nH+]c2)c2ccccc12 ZINC000427244606 260574370 /nfs/dbraw/zinc/57/43/70/260574370.db2.gz WDMBQDRYJGPVFI-UHFFFAOYSA-N 1 2 251.293 2.195 20 30 CEEDLO CCOC(=O)CC[N@H+](Cc1cccnc1)CC1(C#N)CC1 ZINC000360489437 261069724 /nfs/dbraw/zinc/06/97/24/261069724.db2.gz MCVNNUISXKJWPU-UHFFFAOYSA-N 1 2 287.363 2.141 20 30 CEEDLO CCOC(=O)CC[N@@H+](Cc1cccnc1)CC1(C#N)CC1 ZINC000360489437 261069726 /nfs/dbraw/zinc/06/97/26/261069726.db2.gz MCVNNUISXKJWPU-UHFFFAOYSA-N 1 2 287.363 2.141 20 30 CEEDLO N#CCNC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000360745879 261098894 /nfs/dbraw/zinc/09/88/94/261098894.db2.gz NNNWHZUTJLTHKV-UHFFFAOYSA-N 1 2 289.766 2.069 20 30 CEEDLO N#CCNC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000360745879 261098896 /nfs/dbraw/zinc/09/88/96/261098896.db2.gz NNNWHZUTJLTHKV-UHFFFAOYSA-N 1 2 289.766 2.069 20 30 CEEDLO CCn1cc[nH+]c1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000364017003 262102408 /nfs/dbraw/zinc/10/24/08/262102408.db2.gz ZBTUVPOWNNKJEZ-ZBFHGGJFSA-N 1 2 288.395 2.330 20 30 CEEDLO Cc1noc(C)c1CO[NH+]=C(N)COc1cccc(F)c1 ZINC000186828638 262111662 /nfs/dbraw/zinc/11/16/62/262111662.db2.gz XCZVYDWXMNKTDP-UHFFFAOYSA-N 1 2 293.298 2.298 20 30 CEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000488787394 262394173 /nfs/dbraw/zinc/39/41/73/262394173.db2.gz VKFQFRYGWZYMRA-LBPRGKRZSA-N 1 2 270.336 2.375 20 30 CEEDLO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000271113593 262993118 /nfs/dbraw/zinc/99/31/18/262993118.db2.gz CZEYVJONNWESDI-STQMWFEESA-N 1 2 290.363 2.218 20 30 CEEDLO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000271113593 262993119 /nfs/dbraw/zinc/99/31/19/262993119.db2.gz CZEYVJONNWESDI-STQMWFEESA-N 1 2 290.363 2.218 20 30 CEEDLO CC(C)(C#N)CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000278267165 263046231 /nfs/dbraw/zinc/04/62/31/263046231.db2.gz ALISENKOWJQTCW-UHFFFAOYSA-N 1 2 286.379 2.238 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](CCC#N)CCC(C)C)C1=O ZINC000282088769 263074308 /nfs/dbraw/zinc/07/43/08/263074308.db2.gz VDORXXHYDWBPGR-AWEZNQCLSA-N 1 2 263.385 2.035 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](CCC#N)CCC(C)C)C1=O ZINC000282088769 263074309 /nfs/dbraw/zinc/07/43/09/263074309.db2.gz VDORXXHYDWBPGR-AWEZNQCLSA-N 1 2 263.385 2.035 20 30 CEEDLO NC(=[NH+]OCc1coc(-c2cccs2)n1)[C@@H]1CCCO1 ZINC000284477564 263087097 /nfs/dbraw/zinc/08/70/97/263087097.db2.gz RQOCOYHHVKXFRS-JTQLQIEISA-N 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O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1OCCc2ccccc21 ZINC000330290843 295385716 /nfs/dbraw/zinc/38/57/16/295385716.db2.gz CNQZPYVRHIVWHX-CJNGLKHVSA-N 1 2 297.358 2.468 20 30 CEEDLO COc1cc(C)[nH+]c(CSCc2ncc(C#N)cn2)c1 ZINC000561242874 298669849 /nfs/dbraw/zinc/66/98/49/298669849.db2.gz ITGZPAMXOBITLA-UHFFFAOYSA-N 1 2 286.360 2.494 20 30 CEEDLO N#Cc1cccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000270060503 303204032 /nfs/dbraw/zinc/20/40/32/303204032.db2.gz OQJXVRWSYRWPOU-LBPRGKRZSA-N 1 2 253.309 2.408 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000177684626 312723109 /nfs/dbraw/zinc/72/31/09/312723109.db2.gz UHPWMYRMRJHCFG-UHFFFAOYSA-N 1 2 295.371 2.490 20 30 CEEDLO Cc1cc(NCc2cnc(C3CC3)o2)c(C#N)c[nH+]1 ZINC000576981035 314329528 /nfs/dbraw/zinc/32/95/28/314329528.db2.gz AETOZWIBQZXVSU-UHFFFAOYSA-N 1 2 254.293 2.161 20 30 CEEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000185725313 327843458 /nfs/dbraw/zinc/84/34/58/327843458.db2.gz MJSYBYPBGATDQR-HIFRSBDPSA-N 1 2 298.390 2.117 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(CC#N)CC2)cc1Cl ZINC000193861401 327881896 /nfs/dbraw/zinc/88/18/96/327881896.db2.gz KYKJONSSFDPJIP-UHFFFAOYSA-N 1 2 263.772 2.290 20 30 CEEDLO C=C(C)[C@@H](CC(=O)NCCCCn1cc[nH+]c1)OCC ZINC000534421100 328052379 /nfs/dbraw/zinc/05/23/79/328052379.db2.gz IMLDVRNZNRYXHQ-CQSZACIVSA-N 1 2 279.384 2.151 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000339760534 328055593 /nfs/dbraw/zinc/05/55/93/328055593.db2.gz VWHAJZOKPQFSSE-KBPBESRZSA-N 1 2 270.376 2.308 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000339760534 328055594 /nfs/dbraw/zinc/05/55/94/328055594.db2.gz VWHAJZOKPQFSSE-KBPBESRZSA-N 1 2 270.376 2.308 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000563366453 328059543 /nfs/dbraw/zinc/05/95/43/328059543.db2.gz INEXZLBNQVHKLN-SECBINFHSA-N 1 2 252.339 2.317 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000565171308 328074951 /nfs/dbraw/zinc/07/49/51/328074951.db2.gz 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272.352 2.071 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)nn1 ZINC000424176899 330317484 /nfs/dbraw/zinc/31/74/84/330317484.db2.gz YXWUCMKEVLBZKJ-BXUZGUMPSA-N 1 2 272.352 2.470 20 30 CEEDLO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC000424198436 330326058 /nfs/dbraw/zinc/32/60/58/330326058.db2.gz PGHHUABTLNMHFJ-NWDGAFQWSA-N 1 2 292.408 2.298 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)nn1 ZINC000424292861 330335160 /nfs/dbraw/zinc/33/51/60/330335160.db2.gz HSSVDIWFNOOFKR-HNNXBMFYSA-N 1 2 284.363 2.337 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000533268426 330355876 /nfs/dbraw/zinc/35/58/76/330355876.db2.gz BRAYADFCXKFDPI-GFCCVEGCSA-N 1 2 272.352 2.223 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000533268426 330355877 /nfs/dbraw/zinc/35/58/77/330355877.db2.gz BRAYADFCXKFDPI-GFCCVEGCSA-N 1 2 272.352 2.223 20 30 CEEDLO C=CCC1(C(=O)NCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000424540542 330371357 /nfs/dbraw/zinc/37/13/57/330371357.db2.gz 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/nfs/dbraw/zinc/30/75/38/332307538.db2.gz WAINBWKGCQREFZ-UONOGXRCSA-N 1 2 270.376 2.308 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000491718735 332307539 /nfs/dbraw/zinc/30/75/39/332307539.db2.gz WAINBWKGCQREFZ-UONOGXRCSA-N 1 2 270.376 2.308 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000491809125 332361991 /nfs/dbraw/zinc/36/19/91/332361991.db2.gz GBGIFIJKKIFGCU-CYBMUJFWSA-N 1 2 258.365 2.449 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000491809125 332361992 /nfs/dbraw/zinc/36/19/92/332361992.db2.gz GBGIFIJKKIFGCU-CYBMUJFWSA-N 1 2 258.365 2.449 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492296036 332391206 /nfs/dbraw/zinc/39/12/06/332391206.db2.gz FOIDPIIBYUJMFB-WAYWQWQTSA-N 1 2 287.285 2.493 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)/C=C\c1[nH+]ccn1CC ZINC000492945801 332419547 /nfs/dbraw/zinc/41/95/47/332419547.db2.gz FKLYCZAKRWRHFV-LJTDUEICSA-N 1 2 259.353 2.483 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCCCC#N ZINC000176386637 333041615 /nfs/dbraw/zinc/04/16/15/333041615.db2.gz DPHLRAUVPDQURH-UHFFFAOYSA-N 1 2 277.372 2.032 20 30 CEEDLO C#CCN(C(=O)NCc1ccn2cc[nH+]c2c1)C1CCCC1 ZINC000177767563 333062747 /nfs/dbraw/zinc/06/27/47/333062747.db2.gz HUJWAQUAAHQTOJ-UHFFFAOYSA-N 1 2 296.374 2.422 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccccc1Cl ZINC000517033448 333090407 /nfs/dbraw/zinc/09/04/07/333090407.db2.gz KDRQKUCCGHYBLU-HNNXBMFYSA-N 1 2 293.798 2.233 20 30 CEEDLO CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)C[C@@H](C)C#N ZINC000184491219 333129381 /nfs/dbraw/zinc/12/93/81/333129381.db2.gz MQFRIICRYZKDJZ-NSHDSACASA-N 1 2 287.367 2.365 20 30 CEEDLO CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)C[C@@H](C)C#N ZINC000184491219 333129382 /nfs/dbraw/zinc/12/93/82/333129382.db2.gz MQFRIICRYZKDJZ-NSHDSACASA-N 1 2 287.367 2.365 20 30 CEEDLO Cc1oc2ccccc2c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000521882190 333195643 /nfs/dbraw/zinc/19/56/43/333195643.db2.gz AHVSIFSWBFMUKV-INIZCTEOSA-N 1 2 285.347 2.315 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)NC3(C#N)CCC3)cc2n1C ZINC000526001648 333418289 /nfs/dbraw/zinc/41/82/89/333418289.db2.gz UCXAVSSJZMHJRR-UHFFFAOYSA-N 1 2 268.320 2.058 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000576169898 335164193 /nfs/dbraw/zinc/16/41/93/335164193.db2.gz VQNZPSDUXIONHB-ZYHUDNBSSA-N 1 2 288.351 2.377 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000247696814 334288591 /nfs/dbraw/zinc/28/85/91/334288591.db2.gz UAXGPXDOLLBWRY-OCCSQVGLSA-N 1 2 273.336 2.246 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000247696814 334288593 /nfs/dbraw/zinc/28/85/93/334288593.db2.gz UAXGPXDOLLBWRY-OCCSQVGLSA-N 1 2 273.336 2.246 20 30 CEEDLO COC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000251508475 334362253 /nfs/dbraw/zinc/36/22/53/334362253.db2.gz BZUBUAKIGKEKRV-CJNGLKHVSA-N 1 2 293.794 2.427 20 30 CEEDLO COC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000251508475 334362254 /nfs/dbraw/zinc/36/22/54/334362254.db2.gz BZUBUAKIGKEKRV-CJNGLKHVSA-N 1 2 293.794 2.427 20 30 CEEDLO N#CCCC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000554398418 334428429 /nfs/dbraw/zinc/42/84/29/334428429.db2.gz RCVGRHJYBFYIPD-HNNXBMFYSA-N 1 2 282.347 2.434 20 30 CEEDLO Cc1ccc(/C=C/CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000566309825 334642314 /nfs/dbraw/zinc/64/23/14/334642314.db2.gz ULNMNTVVQRYQEY-FUTAKVPZSA-N 1 2 285.391 2.358 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000566429093 334648427 /nfs/dbraw/zinc/64/84/27/334648427.db2.gz OBLGSWNRRLBSDE-JTQLQIEISA-N 1 2 267.279 2.185 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000568465189 334826017 /nfs/dbraw/zinc/82/60/17/334826017.db2.gz ASDWROFJXLPEGY-ZDUSSCGKSA-N 1 2 282.347 2.448 20 30 CEEDLO Cc1ccc(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000573123949 334910722 /nfs/dbraw/zinc/91/07/22/334910722.db2.gz QTMTUIZAYUVMCY-KRWDZBQOSA-N 1 2 287.407 2.278 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000576409329 335200271 /nfs/dbraw/zinc/20/02/71/335200271.db2.gz PRPUZQZUCISLGH-DGCLKSJQSA-N 1 2 270.336 2.167 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000576416167 335201414 /nfs/dbraw/zinc/20/14/14/335201414.db2.gz PDKPAYXRCDGCQO-UHFFFAOYSA-N 1 2 284.338 2.464 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2c1CCCC2 ZINC000576878834 335259367 /nfs/dbraw/zinc/25/93/67/335259367.db2.gz HFIADSHLOAFHME-KRWDZBQOSA-N 1 2 285.391 2.139 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@H]1CCCc2ccccc21 ZINC000577401121 335349079 /nfs/dbraw/zinc/34/90/79/335349079.db2.gz ZQFWPIMPKCHTPH-QAPCUYQASA-N 1 2 299.418 2.457 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184600102 518595196 /nfs/dbraw/zinc/59/51/96/518595196.db2.gz GAVYBVLWOWYSMU-KBPBESRZSA-N 1 2 294.395 2.370 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055052393 518761829 /nfs/dbraw/zinc/76/18/29/518761829.db2.gz WSUXNPATISUDFM-UHFFFAOYSA-N 1 2 262.353 2.220 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000055052393 518761834 /nfs/dbraw/zinc/76/18/34/518761834.db2.gz WSUXNPATISUDFM-UHFFFAOYSA-N 1 2 262.353 2.220 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069070370 519807505 /nfs/dbraw/zinc/80/75/05/519807505.db2.gz AHAGROLWOSPPKZ-SWLSCSKDSA-N 1 2 277.368 2.327 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069070370 519807506 /nfs/dbraw/zinc/80/75/06/519807506.db2.gz AHAGROLWOSPPKZ-SWLSCSKDSA-N 1 2 277.368 2.327 20 30 CEEDLO CC[N@@H+](CC(=O)NC1CCCCCC1)C[C@@H](C)C#N ZINC000049572990 520330172 /nfs/dbraw/zinc/33/01/72/520330172.db2.gz UJPDYLSMNDDVBK-ZDUSSCGKSA-N 1 2 265.401 2.307 20 30 CEEDLO CC[N@H+](CC(=O)NC1CCCCCC1)C[C@@H](C)C#N ZINC000049572990 520330179 /nfs/dbraw/zinc/33/01/79/520330179.db2.gz UJPDYLSMNDDVBK-ZDUSSCGKSA-N 1 2 265.401 2.307 20 30 CEEDLO Cc1nnc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000411738774 534536642 /nfs/dbraw/zinc/53/66/42/534536642.db2.gz VCGYUANROCWIMN-GFCCVEGCSA-N 1 2 299.378 2.194 20 30 CEEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000411738774 534536650 /nfs/dbraw/zinc/53/66/50/534536650.db2.gz VCGYUANROCWIMN-GFCCVEGCSA-N 1 2 299.378 2.194 20 30 CEEDLO COC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccco1 ZINC000184592101 522732268 /nfs/dbraw/zinc/73/22/68/522732268.db2.gz PBQFRFDHHNQJRM-AWEZNQCLSA-N 1 2 299.330 2.067 20 30 CEEDLO Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000334679413 534725287 /nfs/dbraw/zinc/72/52/87/534725287.db2.gz YUFNMXICZJEQSK-VHSXEESVSA-N 1 2 297.200 2.355 20 30 CEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000061591095 524009786 /nfs/dbraw/zinc/00/97/86/524009786.db2.gz MRJIVUGSNKJEFL-JTQLQIEISA-N 1 2 263.297 2.337 20 30 CEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000061591095 524009789 /nfs/dbraw/zinc/00/97/89/524009789.db2.gz MRJIVUGSNKJEFL-JTQLQIEISA-N 1 2 263.297 2.337 20 30 CEEDLO N#Cc1ccc(NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000357327123 534794185 /nfs/dbraw/zinc/79/41/85/534794185.db2.gz IBUHNDOUWORHSG-UHFFFAOYSA-N 1 2 283.291 2.385 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCS2)CCO1 ZINC000330282663 534813745 /nfs/dbraw/zinc/81/37/45/534813745.db2.gz ATTUVCRRWMXJFC-WXHSDQCUSA-N 1 2 295.408 2.492 20 30 CEEDLO N#Cc1ncccc1NCCc1cn2ccccc2[nH+]1 ZINC000357297269 534830741 /nfs/dbraw/zinc/83/07/41/534830741.db2.gz FYAICLJRYZTQQT-UHFFFAOYSA-N 1 2 263.304 2.256 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(C#N)cc1C)CC2 ZINC000363703822 525930668 /nfs/dbraw/zinc/93/06/68/525930668.db2.gz VDIWUJQERJVPEA-UHFFFAOYSA-N 1 2 280.331 2.028 20 30 CEEDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000329001608 526405876 /nfs/dbraw/zinc/40/58/76/526405876.db2.gz HAGBNGZIRATHNN-VXGBXAGGSA-N 1 2 289.383 2.465 20 30 CEEDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000329001608 526405881 /nfs/dbraw/zinc/40/58/81/526405881.db2.gz HAGBNGZIRATHNN-VXGBXAGGSA-N 1 2 289.383 2.465 20 30 CEEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000068816816 526440137 /nfs/dbraw/zinc/44/01/37/526440137.db2.gz KFMHMKDYNVCEMU-HNNXBMFYSA-N 1 2 269.348 2.027 20 30 CEEDLO CC(C)(C)n1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)nn1 ZINC000404565895 526925376 /nfs/dbraw/zinc/92/53/76/526925376.db2.gz BKPJJAUOVYRBLZ-UHFFFAOYSA-N 1 2 287.342 2.334 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000352151010 527552360 /nfs/dbraw/zinc/55/23/60/527552360.db2.gz ZLVQWRZDTJLDAM-CQSZACIVSA-N 1 2 259.309 2.137 20 30 CEEDLO CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)C[C@@H](C)C#N ZINC000352102298 528871044 /nfs/dbraw/zinc/87/10/44/528871044.db2.gz LFXPCVYCSWIJAY-JTQLQIEISA-N 1 2 257.341 2.248 20 30 CEEDLO CC[N@H+](Cc1cnc2n[nH]c(C)c2c1)C[C@@H](C)C#N ZINC000352102298 528871048 /nfs/dbraw/zinc/87/10/48/528871048.db2.gz LFXPCVYCSWIJAY-JTQLQIEISA-N 1 2 257.341 2.248 20 30 CEEDLO C#Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000728982457 574474373 /nfs/dbraw/zinc/47/43/73/574474373.db2.gz AHJANPQHDQPNJF-HNNXBMFYSA-N 1 2 296.374 2.104 20 30 CEEDLO CC(C)CN(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000729344199 574485534 /nfs/dbraw/zinc/48/55/34/574485534.db2.gz CGMFTPWIFBIGNY-UHFFFAOYSA-N 1 2 262.357 2.062 20 30 CEEDLO FC(F)(F)c1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000731149426 574589889 /nfs/dbraw/zinc/58/98/89/574589889.db2.gz ZYWKPOYLSRXXQU-UHFFFAOYSA-N 1 2 255.203 2.270 20 30 CEEDLO C=C(C)COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248628 574592977 /nfs/dbraw/zinc/59/29/77/574592977.db2.gz HPLWZTXTHJLXLT-MRXNPFEDSA-N 1 2 289.375 2.304 20 30 CEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000731158651 574590542 /nfs/dbraw/zinc/59/05/42/574590542.db2.gz GARSDRFSGODMMZ-AATRIKPKSA-N 1 2 283.287 2.262 20 30 CEEDLO CC(C)Cc1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000733193047 574657281 /nfs/dbraw/zinc/65/72/81/574657281.db2.gz VNQCPUFYHIZLGB-UHFFFAOYSA-N 1 2 292.314 2.244 20 30 CEEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000733895673 574691448 /nfs/dbraw/zinc/69/14/48/574691448.db2.gz XQJRMGAQUWUVJT-UHFFFAOYSA-N 1 2 292.314 2.388 20 30 CEEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cccnn2)c(C)c1 ZINC000735973188 574772673 /nfs/dbraw/zinc/77/26/73/574772673.db2.gz BNYYNDYRGAXZNL-UHFFFAOYSA-N 1 2 299.378 2.050 20 30 CEEDLO CC(=NNCC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000740618038 574961738 /nfs/dbraw/zinc/96/17/38/574961738.db2.gz JNCQOIUQWRFWCI-UHFFFAOYSA-N 1 2 264.279 2.451 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1C#N ZINC000741145047 574976826 /nfs/dbraw/zinc/97/68/26/574976826.db2.gz KGMUDOFGRTYFAW-CQSZACIVSA-N 1 2 258.321 2.086 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1C#N ZINC000741145047 574976827 /nfs/dbraw/zinc/97/68/27/574976827.db2.gz KGMUDOFGRTYFAW-CQSZACIVSA-N 1 2 258.321 2.086 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)cc1F ZINC000741146466 574977565 /nfs/dbraw/zinc/97/75/65/574977565.db2.gz KJYREASDEGDFQE-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)cc1F ZINC000741146466 574977566 /nfs/dbraw/zinc/97/75/66/574977566.db2.gz KJYREASDEGDFQE-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000741638903 574993116 /nfs/dbraw/zinc/99/31/16/574993116.db2.gz XBPOGHHSCUAAGT-UHFFFAOYSA-N 1 2 287.294 2.063 20 30 CEEDLO C#CC[N@@H+](C/C=C(\C)C(=O)OC)Cc1ccc(F)cc1 ZINC000746502052 575157675 /nfs/dbraw/zinc/15/76/75/575157675.db2.gz BZOWRJICWMSVBW-UKTHLTGXSA-N 1 2 275.323 2.380 20 30 CEEDLO C#CC[N@H+](C/C=C(\C)C(=O)OC)Cc1ccc(F)cc1 ZINC000746502052 575157676 /nfs/dbraw/zinc/15/76/76/575157676.db2.gz BZOWRJICWMSVBW-UKTHLTGXSA-N 1 2 275.323 2.380 20 30 CEEDLO Cc1ccc2[nH+]c(COC(=O)c3cc(C#N)cn3C)cn2c1 ZINC000751725331 575295955 /nfs/dbraw/zinc/29/59/55/575295955.db2.gz VEBIBAOOKHCHMO-UHFFFAOYSA-N 1 2 294.314 2.210 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(F)cc2F)C1 ZINC000957345359 612991961 /nfs/dbraw/zinc/99/19/61/612991961.db2.gz CHNIYGPJAPPDRO-UHFFFAOYSA-N 1 2 292.329 2.134 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(F)c2C)C1 ZINC000950381311 612992235 /nfs/dbraw/zinc/99/22/35/612992235.db2.gz PFTRDUWPCDYRMU-UHFFFAOYSA-N 1 2 288.366 2.304 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2scc(C)c2Cl)CC1 ZINC000981233597 613160303 /nfs/dbraw/zinc/16/03/03/613160303.db2.gz ULYDZPSDLMATLV-UHFFFAOYSA-N 1 2 296.823 2.491 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2scc(C)c2Cl)CC1 ZINC000981233597 613160304 /nfs/dbraw/zinc/16/03/04/613160304.db2.gz ULYDZPSDLMATLV-UHFFFAOYSA-N 1 2 296.823 2.491 20 30 CEEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccns2)C1 ZINC000950443446 613246721 /nfs/dbraw/zinc/24/67/21/613246721.db2.gz PUCLUQXEXYSTAK-UHFFFAOYSA-N 1 2 279.409 2.256 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000948909833 613279802 /nfs/dbraw/zinc/27/98/02/613279802.db2.gz CBSZWVNEYYNCLE-DLBZAZTESA-N 1 2 296.414 2.381 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000948909833 613279803 /nfs/dbraw/zinc/27/98/03/613279803.db2.gz CBSZWVNEYYNCLE-DLBZAZTESA-N 1 2 296.414 2.381 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000957564154 613320466 /nfs/dbraw/zinc/32/04/66/613320466.db2.gz HNGJZAGCABIDIQ-UHFFFAOYSA-N 1 2 280.318 2.299 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000957749871 613320500 /nfs/dbraw/zinc/32/05/00/613320500.db2.gz ILGCOZKIRVTWHU-UHFFFAOYSA-N 1 2 273.380 2.032 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC000980944812 613373206 /nfs/dbraw/zinc/37/32/06/613373206.db2.gz XVOSXQCEGJJQQA-WCIBSUBMSA-N 1 2 256.777 2.239 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC000980944812 613373207 /nfs/dbraw/zinc/37/32/07/613373207.db2.gz XVOSXQCEGJJQQA-WCIBSUBMSA-N 1 2 256.777 2.239 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc[nH]c2C)C1 ZINC000969472911 613371695 /nfs/dbraw/zinc/37/16/95/613371695.db2.gz XKICZEIIRPGOKO-SNVBAGLBSA-N 1 2 281.787 2.126 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2=CCOCC2)CC1 ZINC000981889349 613373284 /nfs/dbraw/zinc/37/32/84/613373284.db2.gz UQBJZASIAMASGV-UHFFFAOYSA-N 1 2 298.814 2.010 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC2=CCOCC2)CC1 ZINC000981889349 613373285 /nfs/dbraw/zinc/37/32/85/613373285.db2.gz UQBJZASIAMASGV-UHFFFAOYSA-N 1 2 298.814 2.010 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2CCC2)CC1 ZINC000980902940 613373418 /nfs/dbraw/zinc/37/34/18/613373418.db2.gz YDMSLDFWZPCTMI-UHFFFAOYSA-N 1 2 270.804 2.463 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC2CCC2)CC1 ZINC000980902940 613373419 /nfs/dbraw/zinc/37/34/19/613373419.db2.gz YDMSLDFWZPCTMI-UHFFFAOYSA-N 1 2 270.804 2.463 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H](CCC)C2)C1 ZINC000957040616 613654493 /nfs/dbraw/zinc/65/44/93/613654493.db2.gz APVLATAWVWDTSK-GDBMZVCRSA-N 1 2 294.439 2.300 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC000952422552 613654980 /nfs/dbraw/zinc/65/49/80/613654980.db2.gz HLLHFHPQYIBPMA-RCCFBDPRSA-N 1 2 296.414 2.291 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000948679045 613708999 /nfs/dbraw/zinc/70/89/99/613708999.db2.gz YCZNSGMBFZHXTG-GFCCVEGCSA-N 1 2 272.339 2.142 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC000957322609 613710552 /nfs/dbraw/zinc/71/05/52/613710552.db2.gz VOWHMCPVUPUBPL-ZDUSSCGKSA-N 1 2 278.421 2.490 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OCC)c(C)c2)CC1 ZINC000951119939 613716332 /nfs/dbraw/zinc/71/63/32/613716332.db2.gz GMQSDQGDIFTJFL-UHFFFAOYSA-N 1 2 288.391 2.338 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C(C)C)n2)CC1 ZINC000949121519 613716918 /nfs/dbraw/zinc/71/69/18/613716918.db2.gz SOSGSENCFQHZSR-UHFFFAOYSA-N 1 2 273.380 2.149 20 30 CEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000972531024 613726127 /nfs/dbraw/zinc/72/61/27/613726127.db2.gz IGEHWCRLFUEBRE-DLBZAZTESA-N 1 2 292.423 2.078 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000972531024 613726128 /nfs/dbraw/zinc/72/61/28/613726128.db2.gz IGEHWCRLFUEBRE-DLBZAZTESA-N 1 2 292.423 2.078 20 30 CEEDLO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000968458806 613734987 /nfs/dbraw/zinc/73/49/87/613734987.db2.gz FHMODOBJTQWUTH-IUODEOHRSA-N 1 2 298.390 2.189 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000968458806 613734991 /nfs/dbraw/zinc/73/49/91/613734991.db2.gz FHMODOBJTQWUTH-IUODEOHRSA-N 1 2 298.390 2.189 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001024327663 625519730 /nfs/dbraw/zinc/51/97/30/625519730.db2.gz KVBQFRAKCDXGCW-GFCCVEGCSA-N 1 2 281.787 2.352 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001024327663 625519738 /nfs/dbraw/zinc/51/97/38/625519738.db2.gz KVBQFRAKCDXGCW-GFCCVEGCSA-N 1 2 281.787 2.352 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000890812905 622997424 /nfs/dbraw/zinc/99/74/24/622997424.db2.gz RGQOPUITXBITCN-ZDUSSCGKSA-N 1 2 261.369 2.260 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2cccc(C#N)c2)cc1 ZINC000092312220 624088921 /nfs/dbraw/zinc/08/89/21/624088921.db2.gz ODDPKEOTGCCUBG-UHFFFAOYSA-N 1 2 281.315 2.404 20 30 CEEDLO C=C(C)CO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000092893443 624108340 /nfs/dbraw/zinc/10/83/40/624108340.db2.gz JEUXOHZKXWIKRZ-UHFFFAOYSA-N 1 2 264.325 2.111 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1cn(C)nc1Br ZINC000934459195 624507098 /nfs/dbraw/zinc/50/70/98/624507098.db2.gz AYKVRUZCSDAPIG-SNVBAGLBSA-N 1 2 270.174 2.333 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cn(C)nc1Br ZINC000934459195 624507101 /nfs/dbraw/zinc/50/71/01/624507101.db2.gz AYKVRUZCSDAPIG-SNVBAGLBSA-N 1 2 270.174 2.333 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nncn1-c1ccccc1 ZINC000934463623 624511554 /nfs/dbraw/zinc/51/15/54/624511554.db2.gz YYAGSRGKRJRKFG-CYBMUJFWSA-N 1 2 254.337 2.418 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nncn1-c1ccccc1 ZINC000934463623 624511560 /nfs/dbraw/zinc/51/15/60/624511560.db2.gz YYAGSRGKRJRKFG-CYBMUJFWSA-N 1 2 254.337 2.418 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934467435 624514741 /nfs/dbraw/zinc/51/47/41/624514741.db2.gz ZJUHCROVDWQDQX-LBPRGKRZSA-N 1 2 289.335 2.492 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934467435 624514749 /nfs/dbraw/zinc/51/47/49/624514749.db2.gz ZJUHCROVDWQDQX-LBPRGKRZSA-N 1 2 289.335 2.492 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000934517743 624556539 /nfs/dbraw/zinc/55/65/39/624556539.db2.gz ALNYXWUUYJEZIJ-CYBMUJFWSA-N 1 2 283.331 2.430 20 30 CEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(O)c2)o1 ZINC000934517743 624556542 /nfs/dbraw/zinc/55/65/42/624556542.db2.gz ALNYXWUUYJEZIJ-CYBMUJFWSA-N 1 2 283.331 2.430 20 30 CEEDLO CC[C@@H]([NH2+]Cc1ncccn1)c1cccc(C#N)c1O ZINC000926711571 625799003 /nfs/dbraw/zinc/79/90/03/625799003.db2.gz WZDGKGFNICOKHC-CYBMUJFWSA-N 1 2 268.320 2.295 20 30 CEEDLO CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178114255 625943440 /nfs/dbraw/zinc/94/34/40/625943440.db2.gz GPLFXFXUDZJJPG-CYBMUJFWSA-N 1 2 291.395 2.409 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)CCC ZINC000820658489 634491855 /nfs/dbraw/zinc/49/18/55/634491855.db2.gz OUOKRISQTNEELP-CYBMUJFWSA-N 1 2 262.353 2.447 20 30 CEEDLO CCC(=[NH+]N(C)C(=S)NC)c1ccc(N(C)C)cc1 ZINC000841647109 627682490 /nfs/dbraw/zinc/68/24/90/627682490.db2.gz DJIIGPOIOTZPEP-UHFFFAOYSA-N 1 2 278.425 2.303 20 30 CEEDLO CC[C@H]([NH2+]CC(C)(C)CO)c1cccc(C#N)c1O ZINC000925571863 628247018 /nfs/dbraw/zinc/24/70/18/628247018.db2.gz JYLHKTBJZSKBRW-ZDUSSCGKSA-N 1 2 262.353 2.323 20 30 CEEDLO CC[C@H]([NH2+]Cc1nccn1C)c1cccc(C#N)c1O ZINC000924940342 629281419 /nfs/dbraw/zinc/28/14/19/629281419.db2.gz XWSHPDNTWSYLKD-ZDUSSCGKSA-N 1 2 270.336 2.238 20 30 CEEDLO CC(C)C[C@H](C(=O)N1CCC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000928213873 629329679 /nfs/dbraw/zinc/32/96/79/629329679.db2.gz AXJOLIOGGOFUAH-UONOGXRCSA-N 1 2 274.368 2.232 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccccc2NCC)nn1 ZINC000902604382 634741556 /nfs/dbraw/zinc/74/15/56/634741556.db2.gz IBOGEZSETMHMLS-UHFFFAOYSA-N 1 2 271.368 2.186 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(F)cc1 ZINC000894575985 629541972 /nfs/dbraw/zinc/54/19/72/629541972.db2.gz XWKFKYQTTVIQHJ-OAHLLOKOSA-N 1 2 285.322 2.017 20 30 CEEDLO C=CCCCCC[C@@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806674 629651929 /nfs/dbraw/zinc/65/19/29/629651929.db2.gz RBHKPKNGIJBLAU-CYBMUJFWSA-N 1 2 278.400 2.111 20 30 CEEDLO C=CCCCCC[C@@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806674 629651932 /nfs/dbraw/zinc/65/19/32/629651932.db2.gz RBHKPKNGIJBLAU-CYBMUJFWSA-N 1 2 278.400 2.111 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C[C@](C)(CC)OC)C(=O)OCC ZINC000895593302 630269008 /nfs/dbraw/zinc/26/90/08/630269008.db2.gz ZSYLVNWRJNLJOX-JSGCOSHPSA-N 1 2 257.374 2.289 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)OCC ZINC000895597549 630270807 /nfs/dbraw/zinc/27/08/07/630270807.db2.gz ITDVMCQJTBNMMR-QWHCGFSZSA-N 1 2 253.342 2.167 20 30 CEEDLO C#CCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000895748359 630323532 /nfs/dbraw/zinc/32/35/32/630323532.db2.gz NHJPGADRLUXSOW-ZDUSSCGKSA-N 1 2 278.783 2.233 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccnn2C2CCC2)C[C@@H](C)N1CC#N ZINC000895969288 630422746 /nfs/dbraw/zinc/42/27/46/630422746.db2.gz KILKMPQEVDUGIM-ZIAGYGMSSA-N 1 2 287.411 2.026 20 30 CEEDLO CN(CCC#N)c1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824548557 635449141 /nfs/dbraw/zinc/44/91/41/635449141.db2.gz JLIUBJGPQMGWSU-UHFFFAOYSA-N 1 2 267.323 2.434 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000798036437 630803840 /nfs/dbraw/zinc/80/38/40/630803840.db2.gz XLOMKZWGUZELJL-WFASDCNBSA-N 1 2 285.347 2.045 20 30 CEEDLO O=C(/C=C\c1[nH]cc[nH+]1)c1ccnn1-c1ccccc1 ZINC000798372190 630860549 /nfs/dbraw/zinc/86/05/49/630860549.db2.gz IWXKSZOJQHEPRP-SREVYHEPSA-N 1 2 264.288 2.492 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CC12CC(O)C2 ZINC000897088945 630922526 /nfs/dbraw/zinc/92/25/26/630922526.db2.gz ATRBHHNKOCQLRM-CXOJTPOUSA-N 1 2 272.348 2.199 20 30 CEEDLO C#Cc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000897218644 630997833 /nfs/dbraw/zinc/99/78/33/630997833.db2.gz PASFXZUWQBZWBS-HNNXBMFYSA-N 1 2 279.343 2.031 20 30 CEEDLO Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1C#N ZINC000799631274 631054025 /nfs/dbraw/zinc/05/40/25/631054025.db2.gz IYGPEVIGOTZQHN-UHFFFAOYSA-N 1 2 282.347 2.273 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000800332964 631112765 /nfs/dbraw/zinc/11/27/65/631112765.db2.gz JZYOYHZKUAXNRE-INIZCTEOSA-N 1 2 288.391 2.235 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000800332964 631112766 /nfs/dbraw/zinc/11/27/66/631112766.db2.gz JZYOYHZKUAXNRE-INIZCTEOSA-N 1 2 288.391 2.235 20 30 CEEDLO CC[C@@H]([NH2+]Cc1ccon1)c1cccc(C#N)c1O ZINC000925213437 631176031 /nfs/dbraw/zinc/17/60/31/631176031.db2.gz ZTVJXMWBVYJXHR-CYBMUJFWSA-N 1 2 257.293 2.493 20 30 CEEDLO C#C[C@@H]1CCCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000897361028 631187010 /nfs/dbraw/zinc/18/70/10/631187010.db2.gz XEHVMNWFRRYDQD-CQSZACIVSA-N 1 2 270.380 2.459 20 30 CEEDLO C#C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000897361028 631187011 /nfs/dbraw/zinc/18/70/11/631187011.db2.gz XEHVMNWFRRYDQD-CQSZACIVSA-N 1 2 270.380 2.459 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802231706 631407419 /nfs/dbraw/zinc/40/74/19/631407419.db2.gz LNTMLECJNFKPEE-CYBMUJFWSA-N 1 2 276.311 2.067 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802231706 631407422 /nfs/dbraw/zinc/40/74/22/631407422.db2.gz LNTMLECJNFKPEE-CYBMUJFWSA-N 1 2 276.311 2.067 20 30 CEEDLO C[C@H]1CN(C[N@H+](C)Cc2ccc(C#N)cc2)C(=O)[C@H]1C ZINC000839960148 631415537 /nfs/dbraw/zinc/41/55/37/631415537.db2.gz NSPHDGIQZCBNMT-STQMWFEESA-N 1 2 271.364 2.062 20 30 CEEDLO C[C@H]1CN(C[N@@H+](C)Cc2ccc(C#N)cc2)C(=O)[C@H]1C ZINC000839960148 631415541 /nfs/dbraw/zinc/41/55/41/631415541.db2.gz NSPHDGIQZCBNMT-STQMWFEESA-N 1 2 271.364 2.062 20 30 CEEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H]2c2cc(C)no2)C1=O ZINC000839965504 631428194 /nfs/dbraw/zinc/42/81/94/631428194.db2.gz YVGHFFPVADHDBF-CYBMUJFWSA-N 1 2 290.367 2.001 20 30 CEEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)C1=O ZINC000839965504 631428195 /nfs/dbraw/zinc/42/81/95/631428195.db2.gz YVGHFFPVADHDBF-CYBMUJFWSA-N 1 2 290.367 2.001 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000352831792 631501880 /nfs/dbraw/zinc/50/18/80/631501880.db2.gz CJJYEKNTFAPYAT-UHFFFAOYSA-N 1 2 254.318 2.176 20 30 CEEDLO Cn1cccc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897591006 631801531 /nfs/dbraw/zinc/80/15/31/631801531.db2.gz HAWKGZBFCGJSAQ-QGZVFWFLSA-N 1 2 281.359 2.470 20 30 CEEDLO Cn1cccc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897591006 631801540 /nfs/dbraw/zinc/80/15/40/631801540.db2.gz HAWKGZBFCGJSAQ-QGZVFWFLSA-N 1 2 281.359 2.470 20 30 CEEDLO CCN(C)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000897628377 631835554 /nfs/dbraw/zinc/83/55/54/631835554.db2.gz IEJDHHBKZPKWFF-UHFFFAOYSA-N 1 2 287.392 2.156 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897639566 631848136 /nfs/dbraw/zinc/84/81/36/631848136.db2.gz HCNKSTMWHXAHFZ-ZIAGYGMSSA-N 1 2 291.395 2.024 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897790392 631918377 /nfs/dbraw/zinc/91/83/77/631918377.db2.gz QSYYHOCEKCEDHX-UHFFFAOYSA-N 1 2 286.375 2.058 20 30 CEEDLO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1C#N ZINC000810151122 632187192 /nfs/dbraw/zinc/18/71/92/632187192.db2.gz UBZLQTSIGHSWGC-UHFFFAOYSA-N 1 2 284.344 2.185 20 30 CEEDLO C#Cc1ccccc1CC(=O)OCCCn1cc[nH+]c1 ZINC000811258571 632364756 /nfs/dbraw/zinc/36/47/56/632364756.db2.gz JVAWEWYVJCBPSJ-UHFFFAOYSA-N 1 2 268.316 2.040 20 30 CEEDLO C#Cc1cccc(NC(=S)N2CCn3c[nH+]cc3C2)c1 ZINC000811712193 632428006 /nfs/dbraw/zinc/42/80/06/632428006.db2.gz KYOMFDYFAPAIPN-UHFFFAOYSA-N 1 2 282.372 2.077 20 30 CEEDLO CCCCCC[C@H](C)N[NH+]=Cc1cn(C)[nH]c1=O ZINC000814222339 632814713 /nfs/dbraw/zinc/81/47/13/632814713.db2.gz HRLGIRFTEMKEKG-NSHDSACASA-N 1 2 252.362 2.408 20 30 CEEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccnn1CC1CCC1 ZINC000899412979 632843659 /nfs/dbraw/zinc/84/36/59/632843659.db2.gz LUQSGMPXXMGQCI-AATRIKPKSA-N 1 2 270.336 2.313 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000826769238 635842222 /nfs/dbraw/zinc/84/22/22/635842222.db2.gz JJAAOEXDYPIVNI-LBPRGKRZSA-N 1 2 270.336 2.333 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000826769238 635842226 /nfs/dbraw/zinc/84/22/26/635842226.db2.gz JJAAOEXDYPIVNI-LBPRGKRZSA-N 1 2 270.336 2.333 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1 ZINC000826769238 635842229 /nfs/dbraw/zinc/84/22/29/635842229.db2.gz JJAAOEXDYPIVNI-LBPRGKRZSA-N 1 2 270.336 2.333 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1 ZINC000826769238 635842235 /nfs/dbraw/zinc/84/22/35/635842235.db2.gz JJAAOEXDYPIVNI-LBPRGKRZSA-N 1 2 270.336 2.333 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000814694305 632881973 /nfs/dbraw/zinc/88/19/73/632881973.db2.gz DTARNFUJVYKCEM-UHFFFAOYSA-N 1 2 298.306 2.120 20 30 CEEDLO CC(=[NH+]NCc1ccc(F)c(F)c1)c1ccc(N)nc1 ZINC000814807963 632901521 /nfs/dbraw/zinc/90/15/21/632901521.db2.gz SBBYPTMXMTVCSK-UHFFFAOYSA-N 1 2 276.290 2.456 20 30 CEEDLO COc1cc(F)cc(N[NH+]=Cc2c(Cl)nc(N)n2C)c1 ZINC000814871150 632911707 /nfs/dbraw/zinc/91/17/07/632911707.db2.gz ZIBCEBIDYKZHLZ-UHFFFAOYSA-N 1 2 297.721 2.249 20 30 CEEDLO Cc1nn(C)c(N)c1C=[NH+]OCc1ccc(F)cc1 ZINC000814903552 632920581 /nfs/dbraw/zinc/92/05/81/632920581.db2.gz OQMJIBLQIUZTDG-UHFFFAOYSA-N 1 2 262.288 2.001 20 30 CEEDLO COCCCO[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814931268 632933693 /nfs/dbraw/zinc/93/36/93/632933693.db2.gz ACPQXWUQVQRKSO-UHFFFAOYSA-N 1 2 258.268 2.324 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)CC2(C#N)CC2)c1C ZINC000815156127 632974244 /nfs/dbraw/zinc/97/42/44/632974244.db2.gz VLIHWAXANKXLNA-UHFFFAOYSA-N 1 2 273.336 2.017 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000815339801 632999814 /nfs/dbraw/zinc/99/98/14/632999814.db2.gz BIINXCDRKFTCQE-UHFFFAOYSA-N 1 2 296.330 2.080 20 30 CEEDLO C=CCC(F)(F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000815814826 633065179 /nfs/dbraw/zinc/06/51/79/633065179.db2.gz YJFNDAQZESXZCP-UHFFFAOYSA-N 1 2 265.263 2.162 20 30 CEEDLO C=C1C[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000899901367 633086756 /nfs/dbraw/zinc/08/67/56/633086756.db2.gz JNIQFUXMVRJRGB-HNNXBMFYSA-N 1 2 269.344 2.451 20 30 CEEDLO C[C@@](C#N)(NC(=O)CNc1cccc[nH+]1)C1CCCCC1 ZINC000900723507 633821785 /nfs/dbraw/zinc/82/17/85/633821785.db2.gz RTRXCPCBIOORGR-INIZCTEOSA-N 1 2 286.379 2.472 20 30 CEEDLO COc1cc2c(cc1OC)C(=O)/C(=C\c1c[nH+]cn1C)C2 ZINC000901500678 634146512 /nfs/dbraw/zinc/14/65/12/634146512.db2.gz DJDWGVDTIOPHSU-WZUFQYTHSA-N 1 2 284.315 2.260 20 30 CEEDLO Cc1[nH]c(C=C2CCc3[nH]c(=O)ccc3C2=O)[nH+]c1C ZINC000901485546 634153952 /nfs/dbraw/zinc/15/39/52/634153952.db2.gz KIYZHQQJKAPNRC-JXMROGBWSA-N 1 2 269.304 2.340 20 30 CEEDLO CC(C)n1c[nH+]cc1/C=C1/CCn2ccnc2C1=O ZINC000901536044 634164724 /nfs/dbraw/zinc/16/47/24/634164724.db2.gz ORKPGWMJCJOEAY-XFFZJAGNSA-N 1 2 256.309 2.331 20 30 CEEDLO CCCn1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)nn1 ZINC000901582004 634200919 /nfs/dbraw/zinc/20/09/19/634200919.db2.gz OQWKEKCXUBUMPA-AATRIKPKSA-N 1 2 273.340 2.362 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc2c1OCC2 ZINC000901620124 634204349 /nfs/dbraw/zinc/20/43/49/634204349.db2.gz BKCIYIJLTKGYBR-GFCCVEGCSA-N 1 2 255.321 2.155 20 30 CEEDLO C=CC[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)C(=O)OC ZINC000901656273 634233468 /nfs/dbraw/zinc/23/34/68/634233468.db2.gz XMLJXDSBEZQRLO-STQMWFEESA-N 1 2 269.385 2.289 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726427 634981965 /nfs/dbraw/zinc/98/19/65/634981965.db2.gz QCJKEUSEDVSSQW-RDBSUJKOSA-N 1 2 291.395 2.005 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cccc(C#N)c1O ZINC000903301810 635049355 /nfs/dbraw/zinc/04/93/55/635049355.db2.gz UNDJLWRIGXPVRM-WDMOLILDSA-N 1 2 259.353 2.007 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000824290340 635397350 /nfs/dbraw/zinc/39/73/50/635397350.db2.gz KELTYQNVAVRQTO-GJZGRUSLSA-N 1 2 273.380 2.342 20 30 CEEDLO C#CCCOc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824554827 635450553 /nfs/dbraw/zinc/45/05/53/635450553.db2.gz NBAYPCNRKXXBJE-UHFFFAOYSA-N 1 2 253.292 2.486 20 30 CEEDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N(O)Cc1ccc(F)cc1 ZINC000904173666 635493260 /nfs/dbraw/zinc/49/32/60/635493260.db2.gz OAAHPCHGSCMHRV-GFCCVEGCSA-N 1 2 289.310 2.003 20 30 CEEDLO C=CCOCCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269478 635539780 /nfs/dbraw/zinc/53/97/80/635539780.db2.gz HRZAQFXSLLUHGX-UHFFFAOYSA-N 1 2 274.324 2.157 20 30 CEEDLO C[N@H+](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)CC(C)(C)C ZINC000825339792 635621620 /nfs/dbraw/zinc/62/16/20/635621620.db2.gz KQRVNPPLBZMIPM-UHFFFAOYSA-N 1 2 299.378 2.351 20 30 CEEDLO C[N@@H+](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)CC(C)(C)C ZINC000825339792 635621627 /nfs/dbraw/zinc/62/16/27/635621627.db2.gz KQRVNPPLBZMIPM-UHFFFAOYSA-N 1 2 299.378 2.351 20 30 CEEDLO O=C(C#Cc1cccs1)N1CCC(n2cc[nH+]c2)CC1 ZINC000825529179 635654105 /nfs/dbraw/zinc/65/41/05/635654105.db2.gz ABGXTQPJXXCSSL-UHFFFAOYSA-N 1 2 285.372 2.160 20 30 CEEDLO CN(C)c1cc(-c2cccc(C[C@H](C#N)CO)c2)cc[nH+]1 ZINC000904848705 635744851 /nfs/dbraw/zinc/74/48/51/635744851.db2.gz FTVNGDUVESDWRH-CQSZACIVSA-N 1 2 281.359 2.489 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000826697049 635819021 /nfs/dbraw/zinc/81/90/21/635819021.db2.gz VNGPUYHEZDCMFV-AWEZNQCLSA-N 1 2 281.315 2.068 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000826697049 635819024 /nfs/dbraw/zinc/81/90/24/635819024.db2.gz VNGPUYHEZDCMFV-AWEZNQCLSA-N 1 2 281.315 2.068 20 30 CEEDLO Cc1nn(C)c(CNc2cc(CC#N)cc[nH+]2)c1Cl ZINC000905411568 636262335 /nfs/dbraw/zinc/26/23/35/636262335.db2.gz LVKRLAGUPBMQLR-UHFFFAOYSA-N 1 2 275.743 2.455 20 30 CEEDLO C=CC[C@@H]([NH2+]CCCOc1ccccc1)C(=O)OC ZINC000905746774 636408451 /nfs/dbraw/zinc/40/84/51/636408451.db2.gz DLFHHKKWYZGDOF-CQSZACIVSA-N 1 2 263.337 2.163 20 30 CEEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@H]1c1ccncc1)C(C)C ZINC000905748565 636409690 /nfs/dbraw/zinc/40/96/90/636409690.db2.gz JNFPMHIGNPVIBD-OAHLLOKOSA-N 1 2 285.391 2.292 20 30 CEEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1ccncc1)C(C)C ZINC000905748565 636409692 /nfs/dbraw/zinc/40/96/92/636409692.db2.gz JNFPMHIGNPVIBD-OAHLLOKOSA-N 1 2 285.391 2.292 20 30 CEEDLO COc1ccccc1OCC[N@H+](C)Cc1ccncc1C#N ZINC000827804040 636427162 /nfs/dbraw/zinc/42/71/62/636427162.db2.gz XGUPPVXVQULYKB-UHFFFAOYSA-N 1 2 297.358 2.473 20 30 CEEDLO COc1ccccc1OCC[N@@H+](C)Cc1ccncc1C#N ZINC000827804040 636427172 /nfs/dbraw/zinc/42/71/72/636427172.db2.gz XGUPPVXVQULYKB-UHFFFAOYSA-N 1 2 297.358 2.473 20 30 CEEDLO CC[C@H](C)[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(=O)OC ZINC000905776791 636433667 /nfs/dbraw/zinc/43/36/67/636433667.db2.gz GSIJEUFVEJHSQD-IUIKQTSFSA-N 1 2 286.375 2.203 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)C(=O)OC ZINC000905764389 636450658 /nfs/dbraw/zinc/45/06/58/636450658.db2.gz XOJAZPOLHCMSBW-GDBMZVCRSA-N 1 2 289.375 2.260 20 30 CEEDLO C=C1CCC(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000830985064 637209437 /nfs/dbraw/zinc/20/94/37/637209437.db2.gz JEXHTWIXCQKWKK-RVDMUPIBSA-N 1 2 292.423 2.128 20 30 CEEDLO C#CC[C@@H]1CCCN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000831594473 637382125 /nfs/dbraw/zinc/38/21/25/637382125.db2.gz WKIHTTXAHSAOPP-CQSZACIVSA-N 1 2 271.364 2.388 20 30 CEEDLO C=CCn1c(C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908640784 637435046 /nfs/dbraw/zinc/43/50/46/637435046.db2.gz ZDPFVRLFMMCBHU-UHFFFAOYSA-N 1 2 298.394 2.248 20 30 CEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000908668997 637452595 /nfs/dbraw/zinc/45/25/95/637452595.db2.gz LETZDHMVSFQHBV-JSGCOSHPSA-N 1 2 289.379 2.115 20 30 CEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000908668997 637452598 /nfs/dbraw/zinc/45/25/98/637452598.db2.gz LETZDHMVSFQHBV-JSGCOSHPSA-N 1 2 289.379 2.115 20 30 CEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000908668999 637453039 /nfs/dbraw/zinc/45/30/39/637453039.db2.gz LETZDHMVSFQHBV-OCCSQVGLSA-N 1 2 289.379 2.115 20 30 CEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000908668999 637453040 /nfs/dbraw/zinc/45/30/40/637453040.db2.gz LETZDHMVSFQHBV-OCCSQVGLSA-N 1 2 289.379 2.115 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000832292029 637535980 /nfs/dbraw/zinc/53/59/80/637535980.db2.gz XVVIXHINOQODIL-HTQZYQBOSA-N 1 2 288.107 2.140 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000832292029 637535985 /nfs/dbraw/zinc/53/59/85/637535985.db2.gz XVVIXHINOQODIL-HTQZYQBOSA-N 1 2 288.107 2.140 20 30 CEEDLO Cn1cc(N[NH+]=C2CCCc3cc(N)ccc32)cn1 ZINC000834978582 638008011 /nfs/dbraw/zinc/00/80/11/638008011.db2.gz VWNJGUFBTRNNNT-UHFFFAOYSA-N 1 2 255.325 2.155 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2ncc(F)cc2F)cn1C ZINC000835023003 638028063 /nfs/dbraw/zinc/02/80/63/638028063.db2.gz XPACLNOTFBPJQE-UHFFFAOYSA-N 1 2 265.267 2.238 20 30 CEEDLO CSC(C)(C)CC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000876733519 650413903 /nfs/dbraw/zinc/41/39/03/650413903.db2.gz ABOUTHMPWMMRCS-CYBMUJFWSA-N 1 2 267.442 2.190 20 30 CEEDLO CSC(C)(C)CC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000876733519 650413904 /nfs/dbraw/zinc/41/39/04/650413904.db2.gz ABOUTHMPWMMRCS-CYBMUJFWSA-N 1 2 267.442 2.190 20 30 CEEDLO C=CCC1(NC(=O)/C=C(/C)C[NH+]2CCOCC2)CCCC1 ZINC000912521503 638718797 /nfs/dbraw/zinc/71/87/97/638718797.db2.gz IXFOAKCRBDWZAI-SQFISAMPSA-N 1 2 292.423 2.270 20 30 CEEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)CCO2)c1 ZINC000876815619 650443658 /nfs/dbraw/zinc/44/36/58/650443658.db2.gz BOKBGDDHKXEDEY-INIZCTEOSA-N 1 2 295.342 2.232 20 30 CEEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)CCO2)c1 ZINC000876815619 650443659 /nfs/dbraw/zinc/44/36/59/650443659.db2.gz BOKBGDDHKXEDEY-INIZCTEOSA-N 1 2 295.342 2.232 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000837378682 639208363 /nfs/dbraw/zinc/20/83/63/639208363.db2.gz NDKPNPCOFISKEM-UHFFFAOYSA-N 1 2 259.353 2.165 20 30 CEEDLO C[C@H](C(=O)OCc1nc(C#N)cs1)[NH+]1CCCCCC1 ZINC000842081170 639493913 /nfs/dbraw/zinc/49/39/13/639493913.db2.gz WEOXEHXDQUEKJD-LLVKDONJSA-N 1 2 293.392 2.322 20 30 CEEDLO COc1cc(F)cc(N=NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000841629541 639802129 /nfs/dbraw/zinc/80/21/29/639802129.db2.gz 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/nfs/dbraw/zinc/48/96/47/646489647.db2.gz JMTRFDKPPQUMFJ-UHFFFAOYSA-N 1 2 264.332 2.101 20 30 CEEDLO C[C@@H](CC#N)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000771886410 646565505 /nfs/dbraw/zinc/56/55/05/646565505.db2.gz VXRXWZQPTHRGFP-ZDUSSCGKSA-N 1 2 256.353 2.140 20 30 CEEDLO C[C@@H](CC#N)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000771886410 646565506 /nfs/dbraw/zinc/56/55/06/646565506.db2.gz VXRXWZQPTHRGFP-ZDUSSCGKSA-N 1 2 256.353 2.140 20 30 CEEDLO CC1(C)CC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336643 646706744 /nfs/dbraw/zinc/70/67/44/646706744.db2.gz SXKSISJEOMEMJS-UHFFFAOYSA-N 1 2 297.402 2.327 20 30 CEEDLO CC1(C)CC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336643 646706747 /nfs/dbraw/zinc/70/67/47/646706747.db2.gz SXKSISJEOMEMJS-UHFFFAOYSA-N 1 2 297.402 2.327 20 30 CEEDLO C[C@@H](CC(=O)N(C)CCc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000863439123 646725270 /nfs/dbraw/zinc/72/52/70/646725270.db2.gz VEJLYYXKEZUAII-AWEZNQCLSA-N 1 2 296.374 2.407 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1F ZINC000774608532 646866997 /nfs/dbraw/zinc/86/69/97/646866997.db2.gz QCMIZGICBGRXHD-CQSZACIVSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1F ZINC000774608532 646866999 /nfs/dbraw/zinc/86/69/99/646866999.db2.gz QCMIZGICBGRXHD-CQSZACIVSA-N 1 2 290.338 2.425 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)[C@H]1CCCO1 ZINC000775340860 646942945 /nfs/dbraw/zinc/94/29/45/646942945.db2.gz IQPARHZWOYUCAW-IAGOWNOFSA-N 1 2 295.386 2.202 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000775793069 646993837 /nfs/dbraw/zinc/99/38/37/646993837.db2.gz JGMXAHXIJJTDOL-AAEUAGOBSA-N 1 2 256.305 2.098 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C)s1)[C@@H]1CCCO1 ZINC000775800072 646994808 /nfs/dbraw/zinc/99/48/08/646994808.db2.gz QRNPPERMEMTJFW-NEPJUHHUSA-N 1 2 250.367 2.030 20 30 CEEDLO C#CCOc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000776649361 647080327 /nfs/dbraw/zinc/08/03/27/647080327.db2.gz FFPNJXOPWDWGDU-ZDUSSCGKSA-N 1 2 295.342 2.096 20 30 CEEDLO CC(C)[C@@H](C(=O)[C@@H](C#N)c1ccncn1)[NH+]1CCCCC1 ZINC000778723568 647257203 /nfs/dbraw/zinc/25/72/03/647257203.db2.gz DEOQAASGJYBQBP-ZFWWWQNUSA-N 1 2 286.379 2.163 20 30 CEEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(Oc3ccccc3)o2)N1 ZINC000779799591 647356455 /nfs/dbraw/zinc/35/64/55/647356455.db2.gz KKNJYKWAGHYTSF-LLVKDONJSA-N 1 2 284.319 2.343 20 30 CEEDLO CC1(C#N)CC[NH+](CN2CC3(CCCC3)CC2=O)CC1 ZINC000779879883 647368187 /nfs/dbraw/zinc/36/81/87/647368187.db2.gz QUIFQNGOQDJYIF-UHFFFAOYSA-N 1 2 275.396 2.362 20 30 CEEDLO CC[N@@H+]1CCC(N=Nc2ccc(OC)cn2)[C@@H](C)C1 ZINC000780276679 647410497 /nfs/dbraw/zinc/41/04/97/647410497.db2.gz PYSZRKXGGSQVLS-NSHDSACASA-N 1 2 262.357 2.220 20 30 CEEDLO CC[N@H+]1CCC(N=Nc2ccc(OC)cn2)[C@@H](C)C1 ZINC000780276679 647410500 /nfs/dbraw/zinc/41/05/00/647410500.db2.gz PYSZRKXGGSQVLS-NSHDSACASA-N 1 2 262.357 2.220 20 30 CEEDLO Cc1ccc(C#N)c(N[C@H]2CCC[N@H+](CCF)C2)n1 ZINC000865927431 647538474 /nfs/dbraw/zinc/53/84/74/647538474.db2.gz BSSUBUALCCWSIW-ZDUSSCGKSA-N 1 2 262.332 2.108 20 30 CEEDLO Cc1ccc(C#N)c(N[C@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865927431 647538477 /nfs/dbraw/zinc/53/84/77/647538477.db2.gz BSSUBUALCCWSIW-ZDUSSCGKSA-N 1 2 262.332 2.108 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2nc(C)cs2)cc1 ZINC000120824550 647548226 /nfs/dbraw/zinc/54/82/26/647548226.db2.gz MLEOBHIVLWNHOC-UHFFFAOYSA-N 1 2 277.349 2.297 20 30 CEEDLO C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc(C#N)c1O ZINC000866259877 647700609 /nfs/dbraw/zinc/70/06/09/647700609.db2.gz HIWSDZRIGHSZPZ-RYUDHWBXSA-N 1 2 273.380 2.397 20 30 CEEDLO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866265957 647705098 /nfs/dbraw/zinc/70/50/98/647705098.db2.gz WBIXEXGDRBWZBA-NHYWBVRUSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(C#N)c1O ZINC000866266307 647705342 /nfs/dbraw/zinc/70/53/42/647705342.db2.gz YXJNRVQUJLZPCU-ABAIWWIYSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cccc(C#N)c1O ZINC000866284026 647716315 /nfs/dbraw/zinc/71/63/15/647716315.db2.gz IIAXFIDVRBNABL-MKBNYLNASA-N 1 2 285.391 2.397 20 30 CEEDLO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(C#N)c1O ZINC000866310119 647729548 /nfs/dbraw/zinc/72/95/48/647729548.db2.gz CQRZKPXGXZQNJV-NWDGAFQWSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@H]([NH2+]CCC1(C)OCCO1)c1cccc(C#N)c1O ZINC000866339906 647743683 /nfs/dbraw/zinc/74/36/83/647743683.db2.gz OLEMTMVDSKGMGD-NSHDSACASA-N 1 2 276.336 2.068 20 30 CEEDLO C[C@@H]([NH2+]CCC1CC(O)C1)c1cccc(C#N)c1O ZINC000866346755 647748660 /nfs/dbraw/zinc/74/86/60/647748660.db2.gz CMGLXSGXLLWUKF-XSRFYTQQSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(C#N)c1O ZINC000866356924 647753507 /nfs/dbraw/zinc/75/35/07/647753507.db2.gz PGGZKLDBXJHGNM-SWLSCSKDSA-N 1 2 297.358 2.086 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(C#N)c1O ZINC000866372895 647762585 /nfs/dbraw/zinc/76/25/85/647762585.db2.gz WIXDORAMQXSPMA-OSAQELSMSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C#N)c1O ZINC000866383238 647765815 /nfs/dbraw/zinc/76/58/15/647765815.db2.gz IGJPOAKYRFVXRT-IMJCEVDSSA-N 1 2 258.321 2.234 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000784454352 647851575 /nfs/dbraw/zinc/85/15/75/647851575.db2.gz PRNYIZAGHXAQPA-JKSUJKDBSA-N 1 2 269.348 2.217 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000784454352 647851577 /nfs/dbraw/zinc/85/15/77/647851577.db2.gz PRNYIZAGHXAQPA-JKSUJKDBSA-N 1 2 269.348 2.217 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)OCCCn1cc[nH+]c1 ZINC000784865329 647887966 /nfs/dbraw/zinc/88/79/66/647887966.db2.gz XUOYPOUBWCGCRI-AWEZNQCLSA-N 1 2 266.341 2.045 20 30 CEEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)CCCC#N ZINC000867628274 647934160 /nfs/dbraw/zinc/93/41/60/647934160.db2.gz VNLIFYCNTVEILH-UHFFFAOYSA-N 1 2 281.381 2.322 20 30 CEEDLO C=CC[C@H]1N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCCC1(C)C ZINC000867840125 647975604 /nfs/dbraw/zinc/97/56/04/647975604.db2.gz QVIVUHOVAPKTDG-OLZOCXBDSA-N 1 2 277.368 2.036 20 30 CEEDLO NC(=[NH+]OCc1ccc(F)cn1)c1ccc(F)cc1 ZINC000786738135 648040141 /nfs/dbraw/zinc/04/01/41/648040141.db2.gz GZLDQUGNBWRAOE-UHFFFAOYSA-N 1 2 263.247 2.197 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000869186560 648371391 /nfs/dbraw/zinc/37/13/91/648371391.db2.gz FTUFEOZYQUXUIV-OAHLLOKOSA-N 1 2 293.370 2.287 20 30 CEEDLO C=CCOc1ccc(C=NNc2[nH+]ccn2C)cc1OC ZINC000790300667 648403468 /nfs/dbraw/zinc/40/34/68/648403468.db2.gz XREJUQDZKKNWDV-UHFFFAOYSA-N 1 2 286.335 2.440 20 30 CEEDLO COCCCOc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790305978 648404604 /nfs/dbraw/zinc/40/46/04/648404604.db2.gz RRLRLEMQYHMUDL-UHFFFAOYSA-N 1 2 288.351 2.281 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)ccn2)cc1 ZINC000790499616 648424026 /nfs/dbraw/zinc/42/40/26/648424026.db2.gz DXLQEHLONYXFGV-UHFFFAOYSA-N 1 2 271.320 2.236 20 30 CEEDLO CC(C)[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794644144 648897233 /nfs/dbraw/zinc/89/72/33/648897233.db2.gz YXJGWGLWOLRRBH-LBPRGKRZSA-N 1 2 293.440 2.343 20 30 CEEDLO CC(C)[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794644144 648897234 /nfs/dbraw/zinc/89/72/34/648897234.db2.gz YXJGWGLWOLRRBH-LBPRGKRZSA-N 1 2 293.440 2.343 20 30 CEEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nonc2C)cc1 ZINC000872135870 649288408 /nfs/dbraw/zinc/28/84/08/649288408.db2.gz ITIUOZNYTXYLAG-LLVKDONJSA-N 1 2 271.320 2.241 20 30 CEEDLO c1cn(CCCNN=C2CCOC3(CCCC3)C2)c[nH+]1 ZINC000872386864 649376756 /nfs/dbraw/zinc/37/67/56/649376756.db2.gz FZEKASOAQNHEQE-UHFFFAOYSA-N 1 2 276.384 2.342 20 30 CEEDLO CC[C@](C)(C=[NH+]n1c(SC)nnc1SC)OC ZINC000872417567 649385360 /nfs/dbraw/zinc/38/53/60/649385360.db2.gz FIJICAJFUKGKGA-SNVBAGLBSA-N 1 2 274.415 2.371 20 30 CEEDLO CC1(C#N)CC[NH+](CN2CCC3(CCCC3)C2=O)CC1 ZINC000872596957 649435548 /nfs/dbraw/zinc/43/55/48/649435548.db2.gz OSBVBJGLKJPFNE-UHFFFAOYSA-N 1 2 275.396 2.362 20 30 CEEDLO Cc1ccn(C[NH+]2CCC(CCF)CC2)c(=O)c1C#N ZINC000872648178 649448144 /nfs/dbraw/zinc/44/81/44/649448144.db2.gz JAHYPKYKXWODQO-UHFFFAOYSA-N 1 2 277.343 2.058 20 30 CEEDLO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cccc(F)c1C#N ZINC000873049583 649544139 /nfs/dbraw/zinc/54/41/39/649544139.db2.gz JGYXKRUFXOULEF-UHFFFAOYSA-N 1 2 298.383 2.000 20 30 CEEDLO C=C(Br)C[NH2+]Cc1ccc(COC)o1 ZINC000127361712 651198117 /nfs/dbraw/zinc/19/81/17/651198117.db2.gz PWBOJUZDAACTAG-UHFFFAOYSA-N 1 2 260.131 2.424 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000878970252 651220431 /nfs/dbraw/zinc/22/04/31/651220431.db2.gz LSXSVGSSALXONO-OAHLLOKOSA-N 1 2 274.364 2.292 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000878970252 651220432 /nfs/dbraw/zinc/22/04/32/651220432.db2.gz LSXSVGSSALXONO-OAHLLOKOSA-N 1 2 274.364 2.292 20 30 CEEDLO N#CCC[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221935 651402590 /nfs/dbraw/zinc/40/25/90/651402590.db2.gz VPBXIZWBNMBDDK-BETUJISGSA-N 1 2 295.180 2.302 20 30 CEEDLO CCCCCCCC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362816 651429822 /nfs/dbraw/zinc/42/98/22/651429822.db2.gz OOFDSDHQHCAXOP-UHFFFAOYSA-N 1 2 291.399 2.210 20 30 CEEDLO CCCCCCCC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362816 651429824 /nfs/dbraw/zinc/42/98/24/651429824.db2.gz OOFDSDHQHCAXOP-UHFFFAOYSA-N 1 2 291.399 2.210 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2csc(CCC)n2)CC1 ZINC000880477779 651447915 /nfs/dbraw/zinc/44/79/15/651447915.db2.gz NOZGSMPLQPKAHX-UHFFFAOYSA-N 1 2 278.421 2.446 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(C)c(O)c1 ZINC000882118974 651970045 /nfs/dbraw/zinc/97/00/45/651970045.db2.gz DLRNMMOZAWUBEK-AWEZNQCLSA-N 1 2 272.348 2.045 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(C)c(O)c1 ZINC000882118974 651970047 /nfs/dbraw/zinc/97/00/47/651970047.db2.gz DLRNMMOZAWUBEK-AWEZNQCLSA-N 1 2 272.348 2.045 20 30 CEEDLO Cc1cccc(CCCNc2cc(C#N)nc(C)n2)[nH+]1 ZINC000882349678 652042353 /nfs/dbraw/zinc/04/23/53/652042353.db2.gz SYHFQBNMJLBTRH-UHFFFAOYSA-N 1 2 267.336 2.405 20 30 CEEDLO C#CCCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883475744 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ZINC001255154173 812713835 /nfs/dbraw/zinc/71/38/35/812713835.db2.gz DUQVNJCTIAENLV-AWEZNQCLSA-N 1 2 258.369 2.464 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccon2)C1 ZINC001131896769 812754468 /nfs/dbraw/zinc/75/44/68/812754468.db2.gz VIGVOBFJAXPKLY-QWHCGFSZSA-N 1 2 277.368 2.110 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccon2)C1 ZINC001131896769 812754474 /nfs/dbraw/zinc/75/44/74/812754474.db2.gz VIGVOBFJAXPKLY-QWHCGFSZSA-N 1 2 277.368 2.110 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001057400206 812826176 /nfs/dbraw/zinc/82/61/76/812826176.db2.gz SPHVGSQBHLHRBY-UHFFFAOYSA-N 1 2 288.395 2.400 20 30 CEEDLO N#CC1([NH2+]C2CCC3(CCOCC3)CC2)CCOCC1 ZINC001173045319 815569234 /nfs/dbraw/zinc/56/92/34/815569234.db2.gz STCADHITJBDZFG-UHFFFAOYSA-N 1 2 278.396 2.388 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001133378554 813041504 /nfs/dbraw/zinc/04/15/04/813041504.db2.gz GWZTVJJCPLOJPL-HNNXBMFYSA-N 1 2 294.399 2.001 20 30 CEEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2csnn2)CCC1 ZINC001133395765 813045975 /nfs/dbraw/zinc/04/59/75/813045975.db2.gz ZMDCMQNIIQZRHL-LLVKDONJSA-N 1 2 294.424 2.051 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCCN(c2[nH+]ccc(F)c2C)C1 ZINC001158911621 813120310 /nfs/dbraw/zinc/12/03/10/813120310.db2.gz QZEYUTSVTQWFSJ-LBPRGKRZSA-N 1 2 293.342 2.410 20 30 CEEDLO C=C[C@@H]1C[C@@]1(Nc1c[nH+]c(N(C)C)cc1C)C(=O)OCC ZINC001170917738 813641309 /nfs/dbraw/zinc/64/13/09/813641309.db2.gz LSESRQWOHKPOIX-WBMJQRKESA-N 1 2 289.379 2.376 20 30 CEEDLO C=CC[C@@H]([NH2+][C@H]1CCc2cccc(F)c2C1)C(=O)OC ZINC001170960718 813697992 /nfs/dbraw/zinc/69/79/92/813697992.db2.gz FYFRHVRZYBYRFF-SWLSCSKDSA-N 1 2 277.339 2.390 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(Cl)ccc(OC)c2F)CC1 ZINC001143898575 813891955 /nfs/dbraw/zinc/89/19/55/813891955.db2.gz YTIHWEIRCCIUKN-UHFFFAOYSA-N 1 2 296.773 2.239 20 30 CEEDLO CC[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171179619 814060839 /nfs/dbraw/zinc/06/08/39/814060839.db2.gz VDVNFXOFXJQLON-RISCZKNCSA-N 1 2 260.337 2.030 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COC)C2)cc1 ZINC001144569046 814118061 /nfs/dbraw/zinc/11/80/61/814118061.db2.gz IRQOXLLWSLDIPC-INIZCTEOSA-N 1 2 295.386 2.147 20 30 CEEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COC)C2)cc1 ZINC001144569046 814118067 /nfs/dbraw/zinc/11/80/67/814118067.db2.gz IRQOXLLWSLDIPC-INIZCTEOSA-N 1 2 295.386 2.147 20 30 CEEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cncnc2C1 ZINC001171204071 814142045 /nfs/dbraw/zinc/14/20/45/814142045.db2.gz SHCHHJUIOPYMLH-GFCCVEGCSA-N 1 2 264.332 2.295 20 30 CEEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cncnc2C1 ZINC001171204071 814142049 /nfs/dbraw/zinc/14/20/49/814142049.db2.gz SHCHHJUIOPYMLH-GFCCVEGCSA-N 1 2 264.332 2.295 20 30 CEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001171223302 814187210 /nfs/dbraw/zinc/18/72/10/814187210.db2.gz MGFSBVGWROJEPW-LBPRGKRZSA-N 1 2 266.348 2.239 20 30 CEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cnn(C)c2C1 ZINC001171223302 814187215 /nfs/dbraw/zinc/18/72/15/814187215.db2.gz MGFSBVGWROJEPW-LBPRGKRZSA-N 1 2 266.348 2.239 20 30 CEEDLO C=C(C)CCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001112324592 814660567 /nfs/dbraw/zinc/66/05/67/814660567.db2.gz AMJXLKLYYHNBKV-JSGCOSHPSA-N 1 2 288.395 2.400 20 30 CEEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001115714438 814750667 /nfs/dbraw/zinc/75/06/67/814750667.db2.gz IWNCATPKWOVYQU-LBPRGKRZSA-N 1 2 288.395 2.093 20 30 CEEDLO C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)n1cc[nH+]c1 ZINC001116204617 814840257 /nfs/dbraw/zinc/84/02/57/814840257.db2.gz CVVDDESUMKPLIR-YPMHNXCESA-N 1 2 260.341 2.033 20 30 CEEDLO C#CC[N@@H+](Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC001116368150 814848341 /nfs/dbraw/zinc/84/83/41/814848341.db2.gz GYDCIJGHARGLHZ-UHFFFAOYSA-N 1 2 257.293 2.175 20 30 CEEDLO C#CC[N@H+](Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC001116368150 814848345 /nfs/dbraw/zinc/84/83/45/814848345.db2.gz GYDCIJGHARGLHZ-UHFFFAOYSA-N 1 2 257.293 2.175 20 30 CEEDLO CC[N@H+](CCC#N)[C@H]1COc2cccc(OC)c2C1 ZINC001173162147 815612733 /nfs/dbraw/zinc/61/27/33/815612733.db2.gz UBLGFXUNCHCTHT-GFCCVEGCSA-N 1 2 260.337 2.234 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H]1COc2cccc(OC)c2C1 ZINC001173162147 815612736 /nfs/dbraw/zinc/61/27/36/815612736.db2.gz UBLGFXUNCHCTHT-GFCCVEGCSA-N 1 2 260.337 2.234 20 30 CEEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(F)nc3)CC2)c1 ZINC001137742790 815675463 /nfs/dbraw/zinc/67/54/63/815675463.db2.gz KJIHIFLKHNEPPC-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C=CC[NH+]1CCN(Cc2scnc2Cl)CC1 ZINC001137821210 815689073 /nfs/dbraw/zinc/68/90/73/815689073.db2.gz HRNCBFXQXLSCHU-UHFFFAOYSA-N 1 2 257.790 2.100 20 30 CEEDLO COC(=O)CCCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C#N ZINC001173456432 815737344 /nfs/dbraw/zinc/73/73/44/815737344.db2.gz CIVYOPFYWQWBNI-CHWSQXEVSA-N 1 2 252.358 2.486 20 30 CEEDLO COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@@H]1C#N ZINC001173456432 815737345 /nfs/dbraw/zinc/73/73/45/815737345.db2.gz CIVYOPFYWQWBNI-CHWSQXEVSA-N 1 2 252.358 2.486 20 30 CEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173753657 815812043 /nfs/dbraw/zinc/81/20/43/815812043.db2.gz UXGWBKUOTHWMMC-MELADBBJSA-N 1 2 276.388 2.075 20 30 CEEDLO C=C(C)COc1ccccc1C[N@@H+](C)CC(=O)NCC ZINC001138662821 815864579 /nfs/dbraw/zinc/86/45/79/815864579.db2.gz CLDWBXMVYUYQNR-UHFFFAOYSA-N 1 2 276.380 2.209 20 30 CEEDLO C=C(C)COc1ccccc1C[N@H+](C)CC(=O)NCC ZINC001138662821 815864589 /nfs/dbraw/zinc/86/45/89/815864589.db2.gz CLDWBXMVYUYQNR-UHFFFAOYSA-N 1 2 276.380 2.209 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CC(C(=O)OCC)C1 ZINC001139029961 815947028 /nfs/dbraw/zinc/94/70/28/815947028.db2.gz YQRCBAHKARTZKQ-UHFFFAOYSA-N 1 2 275.348 2.246 20 30 CEEDLO C#Cc1cc(Nc2ccc3nc(NC)ncc3c2)cc[nH+]1 ZINC001174533103 816022211 /nfs/dbraw/zinc/02/22/11/816022211.db2.gz WIHOXYPJZYUIEM-UHFFFAOYSA-N 1 2 275.315 2.213 20 30 CEEDLO CC(=O)NC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139690194 816086047 /nfs/dbraw/zinc/08/60/47/816086047.db2.gz SMQKWVXVXVRDEN-UHFFFAOYSA-N 1 2 291.782 2.312 20 30 CEEDLO C=CCn1cc(C[N@@H+](C)Cc2cnc3ccccn23)cn1 ZINC001139765943 816110445 /nfs/dbraw/zinc/11/04/45/816110445.db2.gz INEDSJZDVJGQLZ-UHFFFAOYSA-N 1 2 281.363 2.349 20 30 CEEDLO C=CCn1cc(C[N@H+](C)Cc2cnc3ccccn23)cn1 ZINC001139765943 816110450 /nfs/dbraw/zinc/11/04/50/816110450.db2.gz INEDSJZDVJGQLZ-UHFFFAOYSA-N 1 2 281.363 2.349 20 30 CEEDLO Nc1ccccc1C(NO)=[NH+]c1ccc2occc(=O)c2c1 ZINC001174946045 816113777 /nfs/dbraw/zinc/11/37/77/816113777.db2.gz KLKPNAQAQVZXNJ-UHFFFAOYSA-N 1 2 295.298 2.432 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccccc2C(F)F)CC1 ZINC001139800678 816114136 /nfs/dbraw/zinc/11/41/36/816114136.db2.gz UXWIPQJMBLFRRI-UHFFFAOYSA-N 1 2 264.319 2.375 20 30 CEEDLO CN(C)c1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC001175250647 816160001 /nfs/dbraw/zinc/16/00/01/816160001.db2.gz UJFSATCCJBLJFW-JSGCOSHPSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC001175250647 816160006 /nfs/dbraw/zinc/16/00/06/816160006.db2.gz UJFSATCCJBLJFW-JSGCOSHPSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1ccc(Nc2ccc(C#N)cc2O)c[nH+]1 ZINC001175344337 816168282 /nfs/dbraw/zinc/16/82/82/816168282.db2.gz FECZBPOZNDEKAC-UHFFFAOYSA-N 1 2 254.293 2.468 20 30 CEEDLO Cn1cc(Nc2ccc(N3CCCC3)[nH+]c2)c(C#N)n1 ZINC001175347691 816169528 /nfs/dbraw/zinc/16/95/28/816169528.db2.gz QVZXIHTVKDBIDS-UHFFFAOYSA-N 1 2 268.324 2.031 20 30 CEEDLO Cn1ncc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175346431 816169720 /nfs/dbraw/zinc/16/97/20/816169720.db2.gz UAXBDARWVPNEKC-UHFFFAOYSA-N 1 2 268.324 2.031 20 30 CEEDLO N#Cc1cc(F)cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c1 ZINC001175682199 816265943 /nfs/dbraw/zinc/26/59/43/816265943.db2.gz JGUDXWGYKKLUDH-HNNXBMFYSA-N 1 2 298.321 2.407 20 30 CEEDLO N#Cc1cnoc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175705594 816275802 /nfs/dbraw/zinc/27/58/02/816275802.db2.gz BOCCCHDTMMPDIA-UHFFFAOYSA-N 1 2 269.186 2.286 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)CC1 ZINC001177100861 816521362 /nfs/dbraw/zinc/52/13/62/816521362.db2.gz IQMJNGIFMUOZOM-LSDHHAIUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)CC1 ZINC001177100861 816521367 /nfs/dbraw/zinc/52/13/67/816521367.db2.gz IQMJNGIFMUOZOM-LSDHHAIUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccncc1 ZINC001177884218 816635386 /nfs/dbraw/zinc/63/53/86/816635386.db2.gz BRTGNGVLLBZBET-AWEZNQCLSA-N 1 2 257.341 2.100 20 30 CEEDLO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000121344260 365556938 /nfs/dbraw/zinc/55/69/38/365556938.db2.gz AYLQPRCSIXDSLB-LLVKDONJSA-N 1 2 260.337 2.334 20 30 CEEDLO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000121344260 365556945 /nfs/dbraw/zinc/55/69/45/365556945.db2.gz AYLQPRCSIXDSLB-LLVKDONJSA-N 1 2 260.337 2.334 20 30 CEEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000121314043 365551847 /nfs/dbraw/zinc/55/18/47/365551847.db2.gz DEHOFWCDYSQJLE-NSHDSACASA-N 1 2 278.352 2.107 20 30 CEEDLO C=CC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000121314043 365551851 /nfs/dbraw/zinc/55/18/51/365551851.db2.gz DEHOFWCDYSQJLE-NSHDSACASA-N 1 2 278.352 2.107 20 30 CEEDLO CCN(CCC#N)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000080058989 343999121 /nfs/dbraw/zinc/99/91/21/343999121.db2.gz QJEWYWDSXSKMNM-UHFFFAOYSA-N 1 2 270.336 2.107 20 30 CEEDLO CC(C)(CC#N)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601626376 346864597 /nfs/dbraw/zinc/86/45/97/346864597.db2.gz OWXRWUGCGBAMIX-UHFFFAOYSA-N 1 2 296.374 2.471 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601709698 346884249 /nfs/dbraw/zinc/88/42/49/346884249.db2.gz DYVDUUQVPHILTR-CHWSQXEVSA-N 1 2 284.294 2.173 20 30 CEEDLO CC[C@@H]1OCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330263063 529466741 /nfs/dbraw/zinc/46/67/41/529466741.db2.gz WBEVTDFGTWVIBK-MNOVXSKESA-N 1 2 251.330 2.114 20 30 CEEDLO CCC#C[C@H](C)[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000677133095 539190016 /nfs/dbraw/zinc/19/00/16/539190016.db2.gz GYNVTAYHTBBTBN-ZDUSSCGKSA-N 1 2 275.396 2.211 20 30 CEEDLO CC[C@@](C)(C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329569471 539243086 /nfs/dbraw/zinc/24/30/86/539243086.db2.gz IJDCNNYJJAOKGG-JMSVASOKSA-N 1 2 290.367 2.187 20 30 CEEDLO CC[C@@](C)(C#N)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329569471 539243088 /nfs/dbraw/zinc/24/30/88/539243088.db2.gz IJDCNNYJJAOKGG-JMSVASOKSA-N 1 2 290.367 2.187 20 30 CEEDLO COCC#CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000677820463 539270273 /nfs/dbraw/zinc/27/02/73/539270273.db2.gz OFPXLGSUUPXHNB-TZMCWYRMSA-N 1 2 265.378 2.160 20 30 CEEDLO COCC#CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000677820463 539270274 /nfs/dbraw/zinc/27/02/74/539270274.db2.gz OFPXLGSUUPXHNB-TZMCWYRMSA-N 1 2 265.378 2.160 20 30 CEEDLO Cc1ncsc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329447708 282234798 /nfs/dbraw/zinc/23/47/98/282234798.db2.gz BVNFZSARMSSZEF-VIFPVBQESA-N 1 2 262.338 2.499 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000045911334 362170123 /nfs/dbraw/zinc/17/01/23/362170123.db2.gz IXOASLDQASTBPY-UHFFFAOYSA-N 1 2 271.147 2.497 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000045911334 362170128 /nfs/dbraw/zinc/17/01/28/362170128.db2.gz IXOASLDQASTBPY-UHFFFAOYSA-N 1 2 271.147 2.497 20 30 CEEDLO Cc1nnc(NCc2ccc(N(C)C)[nH+]c2)c(C#N)c1C ZINC000046484072 343500330 /nfs/dbraw/zinc/50/03/30/343500330.db2.gz QXUVVEKMPCTXLO-UHFFFAOYSA-N 1 2 282.351 2.038 20 30 CEEDLO N#Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)ccn1 ZINC000338635491 214694062 /nfs/dbraw/zinc/69/40/62/214694062.db2.gz KJIZGLMJIFDDFC-UHFFFAOYSA-N 1 2 263.304 2.484 20 30 CEEDLO CCCN(CC#N)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000060541925 343660044 /nfs/dbraw/zinc/66/00/44/343660044.db2.gz GAOCGUZZQBQWSV-UHFFFAOYSA-N 1 2 284.363 2.361 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000064798442 343693413 /nfs/dbraw/zinc/69/34/13/343693413.db2.gz YPAVWANNOVXKRW-NSHDSACASA-N 1 2 263.297 2.065 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000064798442 343693416 /nfs/dbraw/zinc/69/34/16/343693416.db2.gz YPAVWANNOVXKRW-NSHDSACASA-N 1 2 263.297 2.065 20 30 CEEDLO 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/nfs/dbraw/zinc/56/49/11/346564911.db2.gz PUZAKUISFYZEMC-UHFFFAOYSA-N 1 2 282.347 2.256 20 30 CEEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599619211 346547248 /nfs/dbraw/zinc/54/72/48/346547248.db2.gz UGBJGLUILHTPQZ-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599619211 346547252 /nfs/dbraw/zinc/54/72/52/346547252.db2.gz UGBJGLUILHTPQZ-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000599952341 346587565 /nfs/dbraw/zinc/58/75/65/346587565.db2.gz LJFLAYLMNSVQSJ-UHFFFAOYSA-N 1 2 294.358 2.409 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000599952341 346587571 /nfs/dbraw/zinc/58/75/71/346587571.db2.gz LJFLAYLMNSVQSJ-UHFFFAOYSA-N 1 2 294.358 2.409 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000599692099 346567870 /nfs/dbraw/zinc/56/78/70/346567870.db2.gz SFUYAFQYXOZLHO-JGPRNRPPSA-N 1 2 293.392 2.177 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000599692099 346567874 /nfs/dbraw/zinc/56/78/74/346567874.db2.gz SFUYAFQYXOZLHO-JGPRNRPPSA-N 1 2 293.392 2.177 20 30 CEEDLO CC[C@@H](C#N)C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315817 346634392 /nfs/dbraw/zinc/63/43/92/346634392.db2.gz VQWHAXLUBFXVJL-GWCFXTLKSA-N 1 2 286.310 2.304 20 30 CEEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602647467 347121776 /nfs/dbraw/zinc/12/17/76/347121776.db2.gz KJINMQGRHVSRRN-MRXNPFEDSA-N 1 2 281.363 2.414 20 30 CEEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602647467 347121782 /nfs/dbraw/zinc/12/17/82/347121782.db2.gz KJINMQGRHVSRRN-MRXNPFEDSA-N 1 2 281.363 2.414 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000602671493 347134411 /nfs/dbraw/zinc/13/44/11/347134411.db2.gz JXBTWYFJJYRTHN-CVEARBPZSA-N 1 2 269.348 2.097 20 30 CEEDLO N#Cc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000602671493 347134414 /nfs/dbraw/zinc/13/44/14/347134414.db2.gz JXBTWYFJJYRTHN-CVEARBPZSA-N 1 2 269.348 2.097 20 30 CEEDLO Cn1nc2c(c1C[N@@H+]1CC[C@@](C)(C#N)C1)CCCC2 ZINC000602717934 347168475 /nfs/dbraw/zinc/16/84/75/347168475.db2.gz KZRZFPWWJKHXSS-HNNXBMFYSA-N 1 2 258.369 2.034 20 30 CEEDLO Cn1nc2c(c1C[N@H+]1CC[C@@](C)(C#N)C1)CCCC2 ZINC000602717934 347168480 /nfs/dbraw/zinc/16/84/80/347168480.db2.gz KZRZFPWWJKHXSS-HNNXBMFYSA-N 1 2 258.369 2.034 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)n1 ZINC000602676986 347139069 /nfs/dbraw/zinc/13/90/69/347139069.db2.gz OYNQZTSUZLYYMF-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)n1 ZINC000602676986 347139075 /nfs/dbraw/zinc/13/90/75/347139075.db2.gz OYNQZTSUZLYYMF-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1ccc(CO)cc1)C(=O)OCC ZINC000602679487 347140748 /nfs/dbraw/zinc/14/07/48/347140748.db2.gz FLSVLHAZVUXUIT-OAHLLOKOSA-N 1 2 277.364 2.166 20 30 CEEDLO Cc1nc(C2([NH2+]CC3(CC#N)CC3)CCCC2)no1 ZINC000602781098 347195549 /nfs/dbraw/zinc/19/55/49/347195549.db2.gz HMHFLCRTJJILGB-UHFFFAOYSA-N 1 2 260.341 2.431 20 30 CEEDLO Cc1noc(C)c1CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602792148 347199739 /nfs/dbraw/zinc/19/97/39/347199739.db2.gz WYTYJHVSJUIRBI-UHFFFAOYSA-N 1 2 288.395 2.103 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602792148 347199744 /nfs/dbraw/zinc/19/97/44/347199744.db2.gz WYTYJHVSJUIRBI-UHFFFAOYSA-N 1 2 288.395 2.103 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CSCCF)C(=O)OC ZINC000602738358 347180370 /nfs/dbraw/zinc/18/03/70/347180370.db2.gz JCOMSIBEQNWCES-GHMZBOCLSA-N 1 2 263.378 2.175 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000602859858 347228045 /nfs/dbraw/zinc/22/80/45/347228045.db2.gz AZVKIPCMPIPVHA-LLVKDONJSA-N 1 2 257.337 2.006 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000602862098 347229105 /nfs/dbraw/zinc/22/91/05/347229105.db2.gz IWJFNPJJENSMSO-OLZOCXBDSA-N 1 2 271.364 2.246 20 30 CEEDLO C[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccccc1Cl ZINC000602863291 347229662 /nfs/dbraw/zinc/22/96/62/347229662.db2.gz MLSVGPXPYSIGMA-WDEREUQCSA-N 1 2 279.771 2.409 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000602863181 347229984 /nfs/dbraw/zinc/22/99/84/347229984.db2.gz LUVSYHZOAYPPSO-WOPDTQHZSA-N 1 2 277.343 2.283 20 30 CEEDLO COc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1Cl ZINC000602868598 347231311 /nfs/dbraw/zinc/23/13/11/347231311.db2.gz JUCHCNOHDALHQP-SECBINFHSA-N 1 2 281.743 2.179 20 30 CEEDLO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)CC#N)cc1C ZINC000602867064 347231465 /nfs/dbraw/zinc/23/14/65/347231465.db2.gz BDVUAHCEPWYBLK-NXEZZACHSA-N 1 2 250.298 2.327 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602870827 347232887 /nfs/dbraw/zinc/23/28/87/347232887.db2.gz XPAXMGXMRKDYGX-NXEZZACHSA-N 1 2 290.754 2.430 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974271 347260492 /nfs/dbraw/zinc/26/04/92/347260492.db2.gz LSLOBWCXHWBNDW-UONOGXRCSA-N 1 2 263.385 2.035 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974271 347260495 /nfs/dbraw/zinc/26/04/95/347260495.db2.gz LSLOBWCXHWBNDW-UONOGXRCSA-N 1 2 263.385 2.035 20 30 CEEDLO C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[C@H]1C#N ZINC000602974756 347260994 /nfs/dbraw/zinc/26/09/94/347260994.db2.gz TUONUWIBLGFVTE-DOTOQJQBSA-N 1 2 297.402 2.195 20 30 CEEDLO C[N@@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[C@H]1C#N ZINC000602974756 347260996 /nfs/dbraw/zinc/26/09/96/347260996.db2.gz TUONUWIBLGFVTE-DOTOQJQBSA-N 1 2 297.402 2.195 20 30 CEEDLO CN(C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000602974664 347261542 /nfs/dbraw/zinc/26/15/42/347261542.db2.gz RQGXVTLYNMKWER-HIFRSBDPSA-N 1 2 277.412 2.402 20 30 CEEDLO CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000602974664 347261543 /nfs/dbraw/zinc/26/15/43/347261543.db2.gz RQGXVTLYNMKWER-HIFRSBDPSA-N 1 2 277.412 2.402 20 30 CEEDLO Cc1nnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609132836 347626794 /nfs/dbraw/zinc/62/67/94/347626794.db2.gz LDVBOVLSAFYIQP-CYBMUJFWSA-N 1 2 282.351 2.003 20 30 CEEDLO N#CC1(NC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC000609169453 347629745 /nfs/dbraw/zinc/62/97/45/347629745.db2.gz YMUFMAQLBWYWGY-UHFFFAOYSA-N 1 2 260.341 2.006 20 30 CEEDLO Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000609449188 347639904 /nfs/dbraw/zinc/63/99/04/347639904.db2.gz CBRUIFFUJMGZNY-VIFPVBQESA-N 1 2 265.744 2.479 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000609538285 347642701 /nfs/dbraw/zinc/64/27/01/347642701.db2.gz JTYALWIQRBTNJN-ZBFHGGJFSA-N 1 2 272.396 2.308 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000610521201 347689174 /nfs/dbraw/zinc/68/91/74/347689174.db2.gz HTULYVNJZKHYKV-LLVKDONJSA-N 1 2 286.360 2.294 20 30 CEEDLO N#Cc1cccc(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610521214 347689315 /nfs/dbraw/zinc/68/93/15/347689315.db2.gz INSNRMMLHYKLCA-INIZCTEOSA-N 1 2 294.358 2.161 20 30 CEEDLO CCc1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000611396077 347773612 /nfs/dbraw/zinc/77/36/12/347773612.db2.gz GJICFPQOGHDVGR-UHFFFAOYSA-N 1 2 268.320 2.283 20 30 CEEDLO Cc1cccnc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431816 347779332 /nfs/dbraw/zinc/77/93/32/347779332.db2.gz CAZLOKWIDHTPCF-MRXNPFEDSA-N 1 2 272.396 2.056 20 30 CEEDLO N#CCc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000611148149 347744977 /nfs/dbraw/zinc/74/49/77/347744977.db2.gz CPNIMMLFLQOKDK-MRXNPFEDSA-N 1 2 294.358 2.426 20 30 CEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC=CCC1 ZINC000611517237 347789369 /nfs/dbraw/zinc/78/93/69/347789369.db2.gz KJSPDAQEQKGOGW-UHFFFAOYSA-N 1 2 275.739 2.412 20 30 CEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000611517237 347789373 /nfs/dbraw/zinc/78/93/73/347789373.db2.gz KJSPDAQEQKGOGW-UHFFFAOYSA-N 1 2 275.739 2.412 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000612104199 347844869 /nfs/dbraw/zinc/84/48/69/347844869.db2.gz FMIUCVZZWJEBBM-UHFFFAOYSA-N 1 2 252.321 2.034 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000612104199 347844871 /nfs/dbraw/zinc/84/48/71/347844871.db2.gz FMIUCVZZWJEBBM-UHFFFAOYSA-N 1 2 252.321 2.034 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000612104199 347844872 /nfs/dbraw/zinc/84/48/72/347844872.db2.gz FMIUCVZZWJEBBM-UHFFFAOYSA-N 1 2 252.321 2.034 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000612104199 347844874 /nfs/dbraw/zinc/84/48/74/347844874.db2.gz FMIUCVZZWJEBBM-UHFFFAOYSA-N 1 2 252.321 2.034 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000612161237 347851441 /nfs/dbraw/zinc/85/14/41/347851441.db2.gz PWBCDUZZHBBQOA-GDBMZVCRSA-N 1 2 274.364 2.052 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000612161237 347851445 /nfs/dbraw/zinc/85/14/45/347851445.db2.gz PWBCDUZZHBBQOA-GDBMZVCRSA-N 1 2 274.364 2.052 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162939 347852416 /nfs/dbraw/zinc/85/24/16/347852416.db2.gz RZCRKMJWDLSCQB-HNNXBMFYSA-N 1 2 263.385 2.037 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162939 347852417 /nfs/dbraw/zinc/85/24/17/347852417.db2.gz RZCRKMJWDLSCQB-HNNXBMFYSA-N 1 2 263.385 2.037 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(CC#N)c2)c1 ZINC000612346549 347872088 /nfs/dbraw/zinc/87/20/88/347872088.db2.gz WIBJXQABNXTGFZ-UHFFFAOYSA-N 1 2 280.331 2.466 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612585134 347904472 /nfs/dbraw/zinc/90/44/72/347904472.db2.gz PNVYNFYRVAJKDN-UHFFFAOYSA-N 1 2 291.307 2.005 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614605596 348222061 /nfs/dbraw/zinc/22/20/61/348222061.db2.gz NNNFLKZRKLGIOQ-MRXNPFEDSA-N 1 2 285.391 2.309 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614605596 348222062 /nfs/dbraw/zinc/22/20/62/348222062.db2.gz NNNFLKZRKLGIOQ-MRXNPFEDSA-N 1 2 285.391 2.309 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000614401079 348193925 /nfs/dbraw/zinc/19/39/25/348193925.db2.gz ZZELQYHDWMPFSF-VPZZIHKRSA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000614401079 348193928 /nfs/dbraw/zinc/19/39/28/348193928.db2.gz ZZELQYHDWMPFSF-VPZZIHKRSA-N 1 2 276.405 2.208 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ncn(C)n1 ZINC000614917782 348254990 /nfs/dbraw/zinc/25/49/90/348254990.db2.gz KJUKBHVUAUQZAF-LBPRGKRZSA-N 1 2 283.379 2.467 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351939614 219256950 /nfs/dbraw/zinc/25/69/50/219256950.db2.gz VQXFVAVSYHQIJS-SEDUGSJDSA-N 1 2 262.378 2.072 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000351939614 219256953 /nfs/dbraw/zinc/25/69/53/219256953.db2.gz VQXFVAVSYHQIJS-SEDUGSJDSA-N 1 2 262.378 2.072 20 30 CEEDLO C=CCCCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616697635 348563278 /nfs/dbraw/zinc/56/32/78/348563278.db2.gz BNGGALLQJHUQQI-LBPRGKRZSA-N 1 2 261.369 2.377 20 30 CEEDLO C=CCCCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616697635 348563283 /nfs/dbraw/zinc/56/32/83/348563283.db2.gz BNGGALLQJHUQQI-LBPRGKRZSA-N 1 2 261.369 2.377 20 30 CEEDLO Cc1nnsc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000568832192 299156823 /nfs/dbraw/zinc/15/68/23/299156823.db2.gz UJFJVFILNWGADI-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO Cc1nnsc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000568832192 299156825 /nfs/dbraw/zinc/15/68/25/299156825.db2.gz UJFJVFILNWGADI-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO CN(CCO)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)[nH+]c1 ZINC000618573130 348979695 /nfs/dbraw/zinc/97/96/95/348979695.db2.gz KJWFAFLEPQKMPC-OLZOCXBDSA-N 1 2 274.368 2.004 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H](C)Cc1cccs1)C(=O)OC ZINC000619509419 349191449 /nfs/dbraw/zinc/19/14/49/349191449.db2.gz FCBZMCWFBPHRCJ-AAEUAGOBSA-N 1 2 283.393 2.013 20 30 CEEDLO C=C[C@@H]([NH2+]CCc1c[nH]c2cc(C)ccc12)C(=O)OC ZINC000619700723 349222063 /nfs/dbraw/zinc/22/20/63/349222063.db2.gz JCBHYWURPMJFNV-CQSZACIVSA-N 1 2 272.348 2.336 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000619718817 349228095 /nfs/dbraw/zinc/22/80/95/349228095.db2.gz ZVMHCKRPJAMESS-HOCLYGCPSA-N 1 2 259.349 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000619718817 349228097 /nfs/dbraw/zinc/22/80/97/349228097.db2.gz ZVMHCKRPJAMESS-HOCLYGCPSA-N 1 2 259.349 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000619720584 349229336 /nfs/dbraw/zinc/22/93/36/349229336.db2.gz SWTSXMDGTAUAKN-HIFRSBDPSA-N 1 2 275.348 2.115 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000619720584 349229340 /nfs/dbraw/zinc/22/93/40/349229340.db2.gz SWTSXMDGTAUAKN-HIFRSBDPSA-N 1 2 275.348 2.115 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000619534999 349195387 /nfs/dbraw/zinc/19/53/87/349195387.db2.gz ODUSYILHVMAGNT-LLVKDONJSA-N 1 2 263.366 2.388 20 30 CEEDLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000411131990 233222231 /nfs/dbraw/zinc/22/22/31/233222231.db2.gz KGYXOOBTKCOXSQ-JTQLQIEISA-N 1 2 255.325 2.178 20 30 CEEDLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000411131990 233222238 /nfs/dbraw/zinc/22/22/38/233222238.db2.gz KGYXOOBTKCOXSQ-JTQLQIEISA-N 1 2 255.325 2.178 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361151 180368531 /nfs/dbraw/zinc/36/85/31/180368531.db2.gz JQTRPVRMQBDTMV-GFCCVEGCSA-N 1 2 285.434 2.232 20 30 CEEDLO C=CC[N@H+](Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361151 180368534 /nfs/dbraw/zinc/36/85/34/180368534.db2.gz JQTRPVRMQBDTMV-GFCCVEGCSA-N 1 2 285.434 2.232 20 30 CEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000092455333 180389067 /nfs/dbraw/zinc/38/90/67/180389067.db2.gz OIWSPGOWLINYEJ-NSHDSACASA-N 1 2 291.351 2.250 20 30 CEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000092455333 180389068 /nfs/dbraw/zinc/38/90/68/180389068.db2.gz OIWSPGOWLINYEJ-NSHDSACASA-N 1 2 291.351 2.250 20 30 CEEDLO COCC#CC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800487 350574636 /nfs/dbraw/zinc/57/46/36/350574636.db2.gz JGPJBJUZCUWSAF-SFHVURJKSA-N 1 2 299.370 2.136 20 30 CEEDLO COCC#CC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800487 350574639 /nfs/dbraw/zinc/57/46/39/350574639.db2.gz JGPJBJUZCUWSAF-SFHVURJKSA-N 1 2 299.370 2.136 20 30 CEEDLO C=CCCCN(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000625724859 350555145 /nfs/dbraw/zinc/55/51/45/350555145.db2.gz NULVLSKFCZJXLV-ZDUSSCGKSA-N 1 2 261.369 2.179 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000573860405 334972594 /nfs/dbraw/zinc/97/25/94/334972594.db2.gz ICRHGEFSWBHOCW-LLVKDONJSA-N 1 2 290.323 2.124 20 30 CEEDLO CCCCNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812698 186275367 /nfs/dbraw/zinc/27/53/67/186275367.db2.gz SNLULNKIHGEGMH-UHFFFAOYSA-N 1 2 253.390 2.164 20 30 CEEDLO CCCCNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812698 186275368 /nfs/dbraw/zinc/27/53/68/186275368.db2.gz SNLULNKIHGEGMH-UHFFFAOYSA-N 1 2 253.390 2.164 20 30 CEEDLO C[N@H+](CCn1cccn1)Cc1ccc(F)cc1C#N ZINC000111281490 186389100 /nfs/dbraw/zinc/38/91/00/186389100.db2.gz NZXNOUXVZMTNQF-UHFFFAOYSA-N 1 2 258.300 2.026 20 30 CEEDLO C[N@@H+](CCn1cccn1)Cc1ccc(F)cc1C#N ZINC000111281490 186389102 /nfs/dbraw/zinc/38/91/02/186389102.db2.gz NZXNOUXVZMTNQF-UHFFFAOYSA-N 1 2 258.300 2.026 20 30 CEEDLO C=CC(C)(C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628824677 351203079 /nfs/dbraw/zinc/20/30/79/351203079.db2.gz GAGYRDQTBXEMKS-UHFFFAOYSA-N 1 2 290.411 2.071 20 30 CEEDLO C=C1CC(C)(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000630823846 351862435 /nfs/dbraw/zinc/86/24/35/351862435.db2.gz PJCRTKAYPQLEDI-UHFFFAOYSA-N 1 2 270.376 2.475 20 30 CEEDLO C=CCOCCNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631200902 352015243 /nfs/dbraw/zinc/01/52/43/352015243.db2.gz KVEGQHVFMGRSLX-UHFFFAOYSA-N 1 2 260.341 2.118 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cnc(C)s2)nn1 ZINC000631225928 352026097 /nfs/dbraw/zinc/02/60/97/352026097.db2.gz DLTNORRJHNMRGX-JTQLQIEISA-N 1 2 277.397 2.470 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccccc1Cl ZINC000153584723 188091497 /nfs/dbraw/zinc/09/14/97/188091497.db2.gz WDYMLUGEDFFNPU-GFCCVEGCSA-N 1 2 278.783 2.300 20 30 CEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccc1Cl ZINC000153584723 188091499 /nfs/dbraw/zinc/09/14/99/188091499.db2.gz WDYMLUGEDFFNPU-GFCCVEGCSA-N 1 2 278.783 2.300 20 30 CEEDLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000292409514 198277538 /nfs/dbraw/zinc/27/75/38/198277538.db2.gz LZWKFSUNGSVLNO-LLVKDONJSA-N 1 2 261.325 2.191 20 30 CEEDLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000292409514 198277539 /nfs/dbraw/zinc/27/75/39/198277539.db2.gz LZWKFSUNGSVLNO-LLVKDONJSA-N 1 2 261.325 2.191 20 30 CEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(OC)c(C#N)c1 ZINC000337230962 366092885 /nfs/dbraw/zinc/09/28/85/366092885.db2.gz IVKSKWJWTGXYQU-GFCCVEGCSA-N 1 2 290.363 2.340 20 30 CEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(OC)c(C#N)c1 ZINC000337230962 366092893 /nfs/dbraw/zinc/09/28/93/366092893.db2.gz IVKSKWJWTGXYQU-GFCCVEGCSA-N 1 2 290.363 2.340 20 30 CEEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCC#N ZINC000073987426 363276634 /nfs/dbraw/zinc/27/66/34/363276634.db2.gz JHVGMGOOFOSAIC-LBPRGKRZSA-N 1 2 280.393 2.387 20 30 CEEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCC#N ZINC000073987426 363276637 /nfs/dbraw/zinc/27/66/37/363276637.db2.gz JHVGMGOOFOSAIC-LBPRGKRZSA-N 1 2 280.393 2.387 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000669933918 540049870 /nfs/dbraw/zinc/04/98/70/540049870.db2.gz BKBDWPYDMUYRFT-INIZCTEOSA-N 1 2 284.359 2.047 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000669933918 540049874 /nfs/dbraw/zinc/04/98/74/540049874.db2.gz BKBDWPYDMUYRFT-INIZCTEOSA-N 1 2 284.359 2.047 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)s2)c2[nH+]ccn21 ZINC000569903719 299224555 /nfs/dbraw/zinc/22/45/55/299224555.db2.gz YYORJGUGWSRBQA-SCZZXKLOSA-N 1 2 272.333 2.252 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC000416340078 283194451 /nfs/dbraw/zinc/19/44/51/283194451.db2.gz QFLVZOUWUIORCH-OAHLLOKOSA-N 1 2 294.358 2.408 20 30 CEEDLO N#Cc1ccc2nc(N3CCn4c[nH+]cc4C3)ccc2c1 ZINC000377331811 283200422 /nfs/dbraw/zinc/20/04/22/283200422.db2.gz ULTOGMXIJYIFDI-UHFFFAOYSA-N 1 2 275.315 2.323 20 30 CEEDLO N#Cc1ccncc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000364910032 283225810 /nfs/dbraw/zinc/22/58/10/283225810.db2.gz YPBBXJGNDFMITL-UHFFFAOYSA-N 1 2 279.347 2.065 20 30 CEEDLO C[C@@]1(F)CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000336272017 213109928 /nfs/dbraw/zinc/10/99/28/213109928.db2.gz DETMPHGXWSDRJW-OAHLLOKOSA-N 1 2 275.327 2.321 20 30 CEEDLO C[C@@]1(F)CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000336272017 213109931 /nfs/dbraw/zinc/10/99/31/213109931.db2.gz DETMPHGXWSDRJW-OAHLLOKOSA-N 1 2 275.327 2.321 20 30 CEEDLO CC(=O)c1ccc(C#N)c(NCc2c[nH+]cn2C)c1 ZINC000357611024 540366248 /nfs/dbraw/zinc/36/62/48/540366248.db2.gz UTLZDASAPXSEHK-UHFFFAOYSA-N 1 2 254.293 2.106 20 30 CEEDLO N#C[C@@H]1CC[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000577986854 366426540 /nfs/dbraw/zinc/42/65/40/366426540.db2.gz QYJATYSKPLOTOK-OCCSQVGLSA-N 1 2 267.336 2.431 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000578450751 366495795 /nfs/dbraw/zinc/49/57/95/366495795.db2.gz KFCJRUQIUTXYIF-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCO1 ZINC000578450751 366495800 /nfs/dbraw/zinc/49/58/00/366495800.db2.gz KFCJRUQIUTXYIF-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCCC2 ZINC000578538341 366511296 /nfs/dbraw/zinc/51/12/96/366511296.db2.gz STJISQGGBVOWOZ-QGZVFWFLSA-N 1 2 285.391 2.139 20 30 CEEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000160117907 540445017 /nfs/dbraw/zinc/44/50/17/540445017.db2.gz NEHFBCKBJKJGJS-HNNXBMFYSA-N 1 2 290.794 2.148 20 30 CEEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000160117907 540445019 /nfs/dbraw/zinc/44/50/19/540445019.db2.gz NEHFBCKBJKJGJS-HNNXBMFYSA-N 1 2 290.794 2.148 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668164667 540576622 /nfs/dbraw/zinc/57/66/22/540576622.db2.gz AXLILNNLQSYIPN-OLZOCXBDSA-N 1 2 286.335 2.108 20 30 CEEDLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000297502997 200212603 /nfs/dbraw/zinc/21/26/03/200212603.db2.gz VEGREFBKKJWLKI-UHFFFAOYSA-N 1 2 290.338 2.471 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000579608188 366673067 /nfs/dbraw/zinc/67/30/67/366673067.db2.gz KXCLPYKGFPUJIF-NSHDSACASA-N 1 2 263.297 2.385 20 30 CEEDLO C=C[C@@H](C)Nc1nc(NCCO)c2ccccc2[nH+]1 ZINC000674935228 540799403 /nfs/dbraw/zinc/79/94/03/540799403.db2.gz DREKRDDZTNLREK-SNVBAGLBSA-N 1 2 258.325 2.020 20 30 CEEDLO CNc1cc2c(nn1)CC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000676558009 540934420 /nfs/dbraw/zinc/93/44/20/540934420.db2.gz CTQZRLHJHIRPHT-UHFFFAOYSA-N 1 2 296.349 2.067 20 30 CEEDLO CNc1cc2c(nn1)CC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000676558009 540934422 /nfs/dbraw/zinc/93/44/22/540934422.db2.gz CTQZRLHJHIRPHT-UHFFFAOYSA-N 1 2 296.349 2.067 20 30 CEEDLO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1nnc2ccccn21 ZINC000579943712 366725643 /nfs/dbraw/zinc/72/56/43/366725643.db2.gz PLDFDIRVLZYLCB-ZFWWWQNUSA-N 1 2 296.378 2.460 20 30 CEEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000678127952 541085385 /nfs/dbraw/zinc/08/53/85/541085385.db2.gz WWDZEEALZQDWDE-UHFFFAOYSA-N 1 2 288.391 2.306 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000678127952 541085388 /nfs/dbraw/zinc/08/53/88/541085388.db2.gz WWDZEEALZQDWDE-UHFFFAOYSA-N 1 2 288.391 2.306 20 30 CEEDLO Cc1cc(C#N)cc(NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000342413457 216344373 /nfs/dbraw/zinc/34/43/73/216344373.db2.gz LOSCTJOKIXUSAF-UHFFFAOYSA-N 1 2 289.342 2.481 20 30 CEEDLO C=C(CC)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000678625033 541160669 /nfs/dbraw/zinc/16/06/69/541160669.db2.gz WPISTHCHDIUBOD-MRXNPFEDSA-N 1 2 298.390 2.082 20 30 CEEDLO C[C@]1(F)CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000334624608 364097129 /nfs/dbraw/zinc/09/71/29/364097129.db2.gz LNBGAEQAXYTBJR-AWEZNQCLSA-N 1 2 281.375 2.153 20 30 CEEDLO C[C@]1(F)CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000334624608 364097134 /nfs/dbraw/zinc/09/71/34/364097134.db2.gz LNBGAEQAXYTBJR-AWEZNQCLSA-N 1 2 281.375 2.153 20 30 CEEDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093359625 364169895 /nfs/dbraw/zinc/16/98/95/364169895.db2.gz YDLJTVMIXGAMGT-UHFFFAOYSA-N 1 2 266.366 2.393 20 30 CEEDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093359625 364169900 /nfs/dbraw/zinc/16/99/00/364169900.db2.gz YDLJTVMIXGAMGT-UHFFFAOYSA-N 1 2 266.366 2.393 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1cccs1 ZINC000356483472 370727794 /nfs/dbraw/zinc/72/77/94/370727794.db2.gz VVSUNUGUJJNQFJ-NWDGAFQWSA-N 1 2 279.409 2.234 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1cccs1 ZINC000356483472 370727798 /nfs/dbraw/zinc/72/77/98/370727798.db2.gz VVSUNUGUJJNQFJ-NWDGAFQWSA-N 1 2 279.409 2.234 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1cccs1 ZINC000356483471 370728004 /nfs/dbraw/zinc/72/80/04/370728004.db2.gz VVSUNUGUJJNQFJ-NEPJUHHUSA-N 1 2 279.409 2.234 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1cccs1 ZINC000356483471 370728008 /nfs/dbraw/zinc/72/80/08/370728008.db2.gz VVSUNUGUJJNQFJ-NEPJUHHUSA-N 1 2 279.409 2.234 20 30 CEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093413285 364177098 /nfs/dbraw/zinc/17/70/98/364177098.db2.gz WZEZPUCURUUNKD-AWEZNQCLSA-N 1 2 296.374 2.425 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810099 364228558 /nfs/dbraw/zinc/22/85/58/364228558.db2.gz GJYWURYQOJXODM-MRXNPFEDSA-N 1 2 296.374 2.164 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000093810099 364228566 /nfs/dbraw/zinc/22/85/66/364228566.db2.gz GJYWURYQOJXODM-MRXNPFEDSA-N 1 2 296.374 2.164 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000093810173 364229198 /nfs/dbraw/zinc/22/91/98/364229198.db2.gz CSQLRUHZSJEFGL-OAHLLOKOSA-N 1 2 296.374 2.164 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1nncn1C 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190282168 /nfs/dbraw/zinc/28/21/68/190282168.db2.gz DNYUUQUHTODDNE-CQSZACIVSA-N 1 2 288.391 2.213 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000267158889 190308067 /nfs/dbraw/zinc/30/80/67/190308067.db2.gz JXFXZAFNPLJRFF-UHFFFAOYSA-N 1 2 288.391 2.393 20 30 CEEDLO C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1(F)F ZINC000528472310 379982290 /nfs/dbraw/zinc/98/22/90/379982290.db2.gz DCAQNJOZHUDQAG-MNOVXSKESA-N 1 2 258.312 2.018 20 30 CEEDLO C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1(F)F ZINC000528472310 379982293 /nfs/dbraw/zinc/98/22/93/379982293.db2.gz DCAQNJOZHUDQAG-MNOVXSKESA-N 1 2 258.312 2.018 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528399209 379956899 /nfs/dbraw/zinc/95/68/99/379956899.db2.gz WNSFNJNVQXNINJ-LBPRGKRZSA-N 1 2 274.368 2.446 20 30 CEEDLO CC(C)Cc1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541951969 380291690 /nfs/dbraw/zinc/29/16/90/380291690.db2.gz JQABUANKQPZZIO-UHFFFAOYSA-N 1 2 262.357 2.394 20 30 CEEDLO 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394793915 /nfs/dbraw/zinc/79/39/15/394793915.db2.gz PTCVPARXLRJAPD-XNTDXEJSSA-N 1 2 265.309 2.163 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1cccc2c1N=S=N2)C1CC1 ZINC000274212785 394794800 /nfs/dbraw/zinc/79/48/00/394794800.db2.gz TZHORJUNFIXOAF-UHFFFAOYSA-N 1 2 286.360 2.449 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1cccc2c1N=S=N2)C1CC1 ZINC000274212785 394794801 /nfs/dbraw/zinc/79/48/01/394794801.db2.gz TZHORJUNFIXOAF-UHFFFAOYSA-N 1 2 286.360 2.449 20 30 CEEDLO CC#CCC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000360438644 394800969 /nfs/dbraw/zinc/80/09/69/394800969.db2.gz SECLGOOVOOBGKH-NSHDSACASA-N 1 2 251.330 2.012 20 30 CEEDLO CC#CCC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000360438644 394800975 /nfs/dbraw/zinc/80/09/75/394800975.db2.gz SECLGOOVOOBGKH-NSHDSACASA-N 1 2 251.330 2.012 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(=O)OC ZINC000361113460 394817303 /nfs/dbraw/zinc/81/73/03/394817303.db2.gz MGXPNHHVBNLCLN-KFWWJZLASA-N 1 2 281.396 2.289 20 30 CEEDLO CCc1noc(C)c1CO[NH+]=C(N)Cc1csc(C)n1 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ZINC000364458093 394906220 /nfs/dbraw/zinc/90/62/20/394906220.db2.gz ZDNKVWUWHOWZTA-UHFFFAOYSA-N 1 2 289.354 2.142 20 30 CEEDLO Cc1cccc2nc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc(=O)n12 ZINC000338370690 394917890 /nfs/dbraw/zinc/91/78/90/394917890.db2.gz BJMRTZTXDPTZGA-LBPRGKRZSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1cccc2nc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc(=O)n12 ZINC000338370690 394917894 /nfs/dbraw/zinc/91/78/94/394917894.db2.gz BJMRTZTXDPTZGA-LBPRGKRZSA-N 1 2 296.374 2.127 20 30 CEEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCOCCC#N)n1 ZINC000339023079 394937277 /nfs/dbraw/zinc/93/72/77/394937277.db2.gz IHSGAAUNLWNLPZ-LLVKDONJSA-N 1 2 298.412 2.246 20 30 CEEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCOCCC#N)n1 ZINC000339023079 394937281 /nfs/dbraw/zinc/93/72/81/394937281.db2.gz IHSGAAUNLWNLPZ-LLVKDONJSA-N 1 2 298.412 2.246 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366423610 394944490 /nfs/dbraw/zinc/94/44/90/394944490.db2.gz URFLOGMISMSKNR-NSHDSACASA-N 1 2 265.806 2.028 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366423610 394944491 /nfs/dbraw/zinc/94/44/91/394944491.db2.gz URFLOGMISMSKNR-NSHDSACASA-N 1 2 265.806 2.028 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000285011648 394952476 /nfs/dbraw/zinc/95/24/76/394952476.db2.gz IPRHEKWVXFZXJA-UHFFFAOYSA-N 1 2 296.374 2.118 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000152155898 394988698 /nfs/dbraw/zinc/98/86/98/394988698.db2.gz RNGMAYLTVJORTF-CQSZACIVSA-N 1 2 279.343 2.090 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286116631 395014559 /nfs/dbraw/zinc/01/45/59/395014559.db2.gz LXAQSTIJFJRTNB-UHFFFAOYSA-N 1 2 277.280 2.347 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286116631 395014562 /nfs/dbraw/zinc/01/45/62/395014562.db2.gz LXAQSTIJFJRTNB-UHFFFAOYSA-N 1 2 277.280 2.347 20 30 CEEDLO Cc1cc(NC[C@](C)(O)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425252439 395054738 /nfs/dbraw/zinc/05/47/38/395054738.db2.gz HJKXQEBDRWUUMQ-INIZCTEOSA-N 1 2 273.380 2.427 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(N(C)C)no1 ZINC000425532329 395061820 /nfs/dbraw/zinc/06/18/20/395061820.db2.gz JGIBJLLUDPQNBO-NSHDSACASA-N 1 2 285.351 2.200 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000425532329 395061826 /nfs/dbraw/zinc/06/18/26/395061826.db2.gz JGIBJLLUDPQNBO-NSHDSACASA-N 1 2 285.351 2.200 20 30 CEEDLO CC[N@@H+](CC(=O)NCCCc1ccccc1)C[C@@H](C)C#N ZINC000345524536 395069215 /nfs/dbraw/zinc/06/92/15/395069215.db2.gz QJFAZKNYNMZOGW-HNNXBMFYSA-N 1 2 287.407 2.217 20 30 CEEDLO CC[N@H+](CC(=O)NCCCc1ccccc1)C[C@@H](C)C#N ZINC000345524536 395069217 /nfs/dbraw/zinc/06/92/17/395069217.db2.gz QJFAZKNYNMZOGW-HNNXBMFYSA-N 1 2 287.407 2.217 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1F ZINC000345833153 395079758 /nfs/dbraw/zinc/07/97/58/395079758.db2.gz AQZPNOSVAVQVHE-GFCCVEGCSA-N 1 2 289.354 2.208 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1F ZINC000345833153 395079761 /nfs/dbraw/zinc/07/97/61/395079761.db2.gz AQZPNOSVAVQVHE-GFCCVEGCSA-N 1 2 289.354 2.208 20 30 CEEDLO C=CC[N@H+](Cc1cnc(C2OCCO2)s1)C1CC1 ZINC000290409472 395102339 /nfs/dbraw/zinc/10/23/39/395102339.db2.gz QAMHCUAETHOESH-UHFFFAOYSA-N 1 2 266.366 2.339 20 30 CEEDLO C=CC[N@@H+](Cc1cnc(C2OCCO2)s1)C1CC1 ZINC000290409472 395102345 /nfs/dbraw/zinc/10/23/45/395102345.db2.gz QAMHCUAETHOESH-UHFFFAOYSA-N 1 2 266.366 2.339 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000156576851 395032531 /nfs/dbraw/zinc/03/25/31/395032531.db2.gz UFYDFHSNMUIWIJ-KBPBESRZSA-N 1 2 291.395 2.484 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000156576851 395032533 /nfs/dbraw/zinc/03/25/33/395032533.db2.gz UFYDFHSNMUIWIJ-KBPBESRZSA-N 1 2 291.395 2.484 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157582821 395035110 /nfs/dbraw/zinc/03/51/10/395035110.db2.gz ULVAJVLMBBEROB-LBPRGKRZSA-N 1 2 265.378 2.106 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157582821 395035113 /nfs/dbraw/zinc/03/51/13/395035113.db2.gz ULVAJVLMBBEROB-LBPRGKRZSA-N 1 2 265.378 2.106 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290288690 395098886 /nfs/dbraw/zinc/09/88/86/395098886.db2.gz MQGMDNWJNSYOMT-XHSDSOJGSA-N 1 2 298.390 2.465 20 30 CEEDLO Cc1csc(=O)n1CC[N@@H+](CCC#N)CCC(C)C ZINC000173539781 395114242 /nfs/dbraw/zinc/11/42/42/395114242.db2.gz TUBHLLNXLIMFOH-UHFFFAOYSA-N 1 2 281.425 2.480 20 30 CEEDLO Cc1csc(=O)n1CC[N@H+](CCC#N)CCC(C)C ZINC000173539781 395114250 /nfs/dbraw/zinc/11/42/50/395114250.db2.gz TUBHLLNXLIMFOH-UHFFFAOYSA-N 1 2 281.425 2.480 20 30 CEEDLO C=CCOCCCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375932943 395104485 /nfs/dbraw/zinc/10/44/85/395104485.db2.gz PFSDBHDAJRWOES-UHFFFAOYSA-N 1 2 291.395 2.161 20 30 CEEDLO C=CCC1(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CCC1 ZINC000376193918 395112571 /nfs/dbraw/zinc/11/25/71/395112571.db2.gz FBXRTAQNSWODIQ-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO COC[C@@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000178308662 395164591 /nfs/dbraw/zinc/16/45/91/395164591.db2.gz PLARSKYVSPDURT-SECBINFHSA-N 1 2 256.733 2.206 20 30 CEEDLO Cc1cc(N[C@H](C)CNC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000496239228 395154470 /nfs/dbraw/zinc/15/44/70/395154470.db2.gz XEXSXPMHBVOXDW-LLVKDONJSA-N 1 2 290.367 2.009 20 30 CEEDLO CC(C)N(C(=O)C[NH+]1CCC(F)(C#N)CC1)C1CCCC1 ZINC000352441686 395253845 /nfs/dbraw/zinc/25/38/45/395253845.db2.gz BDTKKHFCHQMNIX-UHFFFAOYSA-N 1 2 295.402 2.494 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000351228285 395195080 /nfs/dbraw/zinc/19/50/80/395195080.db2.gz PEBOTODTWIIFMM-QWRGUYRKSA-N 1 2 263.307 2.247 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000351228285 395195082 /nfs/dbraw/zinc/19/50/82/395195082.db2.gz PEBOTODTWIIFMM-QWRGUYRKSA-N 1 2 263.307 2.247 20 30 CEEDLO COCc1noc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000181515537 395218809 /nfs/dbraw/zinc/21/88/09/395218809.db2.gz UNPNEQUYMYTGSU-NSHDSACASA-N 1 2 286.335 2.281 20 30 CEEDLO COCc1noc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000181515537 395218813 /nfs/dbraw/zinc/21/88/13/395218813.db2.gz UNPNEQUYMYTGSU-NSHDSACASA-N 1 2 286.335 2.281 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000293135726 395220851 /nfs/dbraw/zinc/22/08/51/395220851.db2.gz NGCIJVRCQADKOT-UHFFFAOYSA-N 1 2 280.755 2.242 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000293135726 395220856 /nfs/dbraw/zinc/22/08/56/395220856.db2.gz NGCIJVRCQADKOT-UHFFFAOYSA-N 1 2 280.755 2.242 20 30 CEEDLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000353458334 395298790 /nfs/dbraw/zinc/29/87/90/395298790.db2.gz BVYOEFDACYZFNW-KGLIPLIRSA-N 1 2 273.380 2.091 20 30 CEEDLO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)cc1 ZINC000353458334 395298793 /nfs/dbraw/zinc/29/87/93/395298793.db2.gz BVYOEFDACYZFNW-KGLIPLIRSA-N 1 2 273.380 2.091 20 30 CEEDLO C[C@@H](N1CC[NH+]([C@@H](C)CCC#N)CC1)C(F)(F)F ZINC000411338344 395326299 /nfs/dbraw/zinc/32/62/99/395326299.db2.gz WTMFNWMUELXTCX-WDEREUQCSA-N 1 2 263.307 2.247 20 30 CEEDLO C=C(C)COCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000354186321 395319190 /nfs/dbraw/zinc/31/91/90/395319190.db2.gz FPXRGKKPIDFYCR-UHFFFAOYSA-N 1 2 288.351 2.357 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CC(OCCOC)C2)cc1 ZINC000354209270 395320658 /nfs/dbraw/zinc/32/06/58/395320658.db2.gz XINDKAXMFCLYIN-UHFFFAOYSA-N 1 2 277.364 2.099 20 30 CEEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352461972 395256704 /nfs/dbraw/zinc/25/67/04/395256704.db2.gz ALFNGEUMTOOAOE-LBPRGKRZSA-N 1 2 281.375 2.151 20 30 CEEDLO Cc1ccc2[nH+]c(CN3CCC(F)(C#N)CC3)cn2c1 ZINC000352481963 395258271 /nfs/dbraw/zinc/25/82/71/395258271.db2.gz FTSBNDCBXACQNN-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO Cc1ccc2nc(C[NH+]3CCC(F)(C#N)CC3)cn2c1 ZINC000352481963 395258275 /nfs/dbraw/zinc/25/82/75/395258275.db2.gz FTSBNDCBXACQNN-UHFFFAOYSA-N 1 2 272.327 2.470 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000192224751 395376813 /nfs/dbraw/zinc/37/68/13/395376813.db2.gz OFKHXAOKFMLDMO-INIZCTEOSA-N 1 2 270.376 2.087 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000192224751 395376816 /nfs/dbraw/zinc/37/68/16/395376816.db2.gz OFKHXAOKFMLDMO-INIZCTEOSA-N 1 2 270.376 2.087 20 30 CEEDLO N#CC[N@H+](CCO[C@H]1CCCCO1)C1CCCC1 ZINC000193057070 395399588 /nfs/dbraw/zinc/39/95/88/395399588.db2.gz WLQXNILXEIUOGT-AWEZNQCLSA-N 1 2 252.358 2.298 20 30 CEEDLO N#CC[N@@H+](CCO[C@H]1CCCCO1)C1CCCC1 ZINC000193057070 395399591 /nfs/dbraw/zinc/39/95/91/395399591.db2.gz WLQXNILXEIUOGT-AWEZNQCLSA-N 1 2 252.358 2.298 20 30 CEEDLO C[C@@H]([NH2+]CCC#N)c1cnn(Cc2ccccc2)c1 ZINC000411535696 395330242 /nfs/dbraw/zinc/33/02/42/395330242.db2.gz GCTTZCQTMNSFQH-CYBMUJFWSA-N 1 2 254.337 2.496 20 30 CEEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411575596 395332069 /nfs/dbraw/zinc/33/20/69/395332069.db2.gz NJHXXKXTXJQYCQ-UHFFFAOYSA-N 1 2 289.379 2.274 20 30 CEEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCCC#N)C1CC1 ZINC000411903531 395341460 /nfs/dbraw/zinc/34/14/60/395341460.db2.gz JQZDUTULPZRPGW-LLVKDONJSA-N 1 2 252.358 2.485 20 30 CEEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCCC#N)C1CC1 ZINC000411903531 395341463 /nfs/dbraw/zinc/34/14/63/395341463.db2.gz JQZDUTULPZRPGW-LLVKDONJSA-N 1 2 252.358 2.485 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000530495973 395456632 /nfs/dbraw/zinc/45/66/32/395456632.db2.gz NQGLXUWTAQIWOZ-UONOGXRCSA-N 1 2 290.388 2.190 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000530495973 395456635 /nfs/dbraw/zinc/45/66/35/395456635.db2.gz NQGLXUWTAQIWOZ-UONOGXRCSA-N 1 2 290.388 2.190 20 30 CEEDLO CCN1CCN(c2ccc(F)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480625 395456679 /nfs/dbraw/zinc/45/66/79/395456679.db2.gz AZMOKPJHNWKOBA-HNNXBMFYSA-N 1 2 299.353 2.304 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)CC#N)C2 ZINC000355379523 395429498 /nfs/dbraw/zinc/42/94/98/395429498.db2.gz UCCVHBXYBCHTLZ-QWRGUYRKSA-N 1 2 274.368 2.056 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CC#N)CC2 ZINC000355379523 395429502 /nfs/dbraw/zinc/42/95/02/395429502.db2.gz UCCVHBXYBCHTLZ-QWRGUYRKSA-N 1 2 274.368 2.056 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)CC#N)C2 ZINC000355379520 395429533 /nfs/dbraw/zinc/42/95/33/395429533.db2.gz UCCVHBXYBCHTLZ-MNOVXSKESA-N 1 2 274.368 2.056 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)CC#N)CC2 ZINC000355379520 395429537 /nfs/dbraw/zinc/42/95/37/395429537.db2.gz UCCVHBXYBCHTLZ-MNOVXSKESA-N 1 2 274.368 2.056 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)s1 ZINC000565548174 395475703 /nfs/dbraw/zinc/47/57/03/395475703.db2.gz GLRUMSTVCJEYOE-SECBINFHSA-N 1 2 290.348 2.088 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)s1 ZINC000565548174 395475704 /nfs/dbraw/zinc/47/57/04/395475704.db2.gz GLRUMSTVCJEYOE-SECBINFHSA-N 1 2 290.348 2.088 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)s1 ZINC000565548174 395475707 /nfs/dbraw/zinc/47/57/07/395475707.db2.gz GLRUMSTVCJEYOE-SECBINFHSA-N 1 2 290.348 2.088 20 30 CEEDLO CC[C@H](NCCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569332207 395577003 /nfs/dbraw/zinc/57/70/03/395577003.db2.gz GRUKWWVEASMXSU-IRXDYDNUSA-N 1 2 287.407 2.169 20 30 CEEDLO CC[C@H](NCCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569332207 395577004 /nfs/dbraw/zinc/57/70/04/395577004.db2.gz GRUKWWVEASMXSU-IRXDYDNUSA-N 1 2 287.407 2.169 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000456967171 395634382 /nfs/dbraw/zinc/63/43/82/395634382.db2.gz OBLNOHZJEZBNGN-UHFFFAOYSA-N 1 2 268.320 2.172 20 30 CEEDLO Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)ncc1C#N ZINC000457849078 395637430 /nfs/dbraw/zinc/63/74/30/395637430.db2.gz PVINKKVBLUUTIL-UHFFFAOYSA-N 1 2 281.319 2.047 20 30 CEEDLO C=CCCSCCNC(=O)NCc1c[nH+]ccc1OC ZINC000595635852 395666351 /nfs/dbraw/zinc/66/63/51/395666351.db2.gz MYOSOJXFYVXSSI-UHFFFAOYSA-N 1 2 295.408 2.199 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)n1 ZINC000459709141 395666642 /nfs/dbraw/zinc/66/66/42/395666642.db2.gz JLBCMDAWLWBFSL-RYUDHWBXSA-N 1 2 275.377 2.016 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)n1 ZINC000459709141 395666643 /nfs/dbraw/zinc/66/66/43/395666643.db2.gz JLBCMDAWLWBFSL-RYUDHWBXSA-N 1 2 275.377 2.016 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@H]2c2nncn2C)ccc1C#N ZINC000488133005 395668189 /nfs/dbraw/zinc/66/81/89/395668189.db2.gz JZUHAONYVHOQLE-HNNXBMFYSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)ccc1C#N ZINC000488133005 395668190 /nfs/dbraw/zinc/66/81/90/395668190.db2.gz JZUHAONYVHOQLE-HNNXBMFYSA-N 1 2 281.363 2.332 20 30 CEEDLO Clc1ccc(C#CCN2CCn3c[nH+]cc3C2)cc1 ZINC000647938089 395779951 /nfs/dbraw/zinc/77/99/51/395779951.db2.gz JLQQSKWZPNRTNE-UHFFFAOYSA-N 1 2 271.751 2.404 20 30 CEEDLO Cc1ccc(C2CCN(c3nccnc3C#N)CC2)c[nH+]1 ZINC000374663503 292090804 /nfs/dbraw/zinc/09/08/04/292090804.db2.gz MSZYNVQAQNQBOO-UHFFFAOYSA-N 1 2 279.347 2.436 20 30 CEEDLO C#CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000287708253 400321234 /nfs/dbraw/zinc/32/12/34/400321234.db2.gz MXWYBAZNDZGHQD-CQSZACIVSA-N 1 2 267.332 2.223 20 30 CEEDLO Cc1cc(NCC(C)(C)C2(O)CCCC2)c(C#N)c[nH+]1 ZINC000425271112 400574510 /nfs/dbraw/zinc/57/45/10/400574510.db2.gz UTVUBJKCCDUMAE-UHFFFAOYSA-N 1 2 273.380 2.427 20 30 CEEDLO CC(C)c1nnc2n1CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]2C ZINC000191540709 153178426 /nfs/dbraw/zinc/17/84/26/153178426.db2.gz YXTUMMIMXNURKR-GFCCVEGCSA-N 1 2 298.394 2.188 20 30 CEEDLO CC(C)c1nnc2n1CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H]2C ZINC000191540709 153178429 /nfs/dbraw/zinc/17/84/29/153178429.db2.gz YXTUMMIMXNURKR-GFCCVEGCSA-N 1 2 298.394 2.188 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)s1 ZINC000375467295 157103339 /nfs/dbraw/zinc/10/33/39/157103339.db2.gz HZIRQLIISPMJQM-KBPBESRZSA-N 1 2 290.388 2.190 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)s1 ZINC000375467295 157103342 /nfs/dbraw/zinc/10/33/42/157103342.db2.gz 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/nfs/dbraw/zinc/11/24/61/415112461.db2.gz RPZCRCDALHLEAU-AWEZNQCLSA-N 1 2 273.380 2.450 20 30 CEEDLO C=CC[C@H]1CCCN(c2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000664253660 415245866 /nfs/dbraw/zinc/24/58/66/415245866.db2.gz QGUHKVJBONZNIG-STQMWFEESA-N 1 2 276.384 2.062 20 30 CEEDLO C=CC[C@H]1CCCN(c2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000664253660 415245872 /nfs/dbraw/zinc/24/58/72/415245872.db2.gz QGUHKVJBONZNIG-STQMWFEESA-N 1 2 276.384 2.062 20 30 CEEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000661376909 415230948 /nfs/dbraw/zinc/23/09/48/415230948.db2.gz KRJNNIHGSIUYBJ-CQSZACIVSA-N 1 2 264.413 2.369 20 30 CEEDLO C=CCCCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000656211177 415644067 /nfs/dbraw/zinc/64/40/67/415644067.db2.gz RTMABEUOORCXOH-UHFFFAOYSA-N 1 2 276.384 2.472 20 30 CEEDLO C=CCCCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000656211177 415644069 /nfs/dbraw/zinc/64/40/69/415644069.db2.gz RTMABEUOORCXOH-UHFFFAOYSA-N 1 2 276.384 2.472 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 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C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000181271938 329228910 /nfs/dbraw/zinc/22/89/10/329228910.db2.gz DMFDDTLHVZFLCU-UHFFFAOYSA-N 1 2 278.396 2.442 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000181271938 329228911 /nfs/dbraw/zinc/22/89/11/329228911.db2.gz DMFDDTLHVZFLCU-UHFFFAOYSA-N 1 2 278.396 2.442 20 30 CEEDLO C=CC[C@H](CO)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000182663957 329243797 /nfs/dbraw/zinc/24/37/97/329243797.db2.gz OOUYLNKRBFVJHG-CYBMUJFWSA-N 1 2 270.336 2.196 20 30 CEEDLO C=CCN(CCOC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000192320357 329431141 /nfs/dbraw/zinc/43/11/41/329431141.db2.gz ARXLSDCNXUDDMZ-UHFFFAOYSA-N 1 2 263.341 2.365 20 30 CEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000572378870 330020695 /nfs/dbraw/zinc/02/06/95/330020695.db2.gz VANZMGXNKYBPOR-OAHLLOKOSA-N 1 2 258.365 2.434 20 30 CEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000572378870 330020696 /nfs/dbraw/zinc/02/06/96/330020696.db2.gz VANZMGXNKYBPOR-OAHLLOKOSA-N 1 2 258.365 2.434 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000278538404 330117305 /nfs/dbraw/zinc/11/73/05/330117305.db2.gz CGHZXAOXEMKYNB-HUUCEWRRSA-N 1 2 289.379 2.028 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433323679 330222518 /nfs/dbraw/zinc/22/25/18/330222518.db2.gz XWRMITYCVNUNRA-ZDUSSCGKSA-N 1 2 265.401 2.281 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433323679 330222519 /nfs/dbraw/zinc/22/25/19/330222519.db2.gz XWRMITYCVNUNRA-ZDUSSCGKSA-N 1 2 265.401 2.281 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3ccccc32)nn1 ZINC000424296780 330336194 /nfs/dbraw/zinc/33/61/94/330336194.db2.gz PIZJTMQVFBYHBC-OAHLLOKOSA-N 1 2 284.363 2.468 20 30 CEEDLO CSc1ccc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000514733554 330463982 /nfs/dbraw/zinc/46/39/82/330463982.db2.gz LGILMNIJSZNHLR-OAHLLOKOSA-N 1 2 291.420 2.291 20 30 CEEDLO Cc1c[nH+]c(CN2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1C ZINC000430114108 330561315 /nfs/dbraw/zinc/56/13/15/330561315.db2.gz PPTJYIXJQBGULA-CVEARBPZSA-N 1 2 280.375 2.468 20 30 CEEDLO C=CC1CC[NH+](Cc2nc(C(=O)OC)cs2)CC1 ZINC000450397314 330976238 /nfs/dbraw/zinc/97/62/38/330976238.db2.gz YSZYOSGQMKZOOZ-UHFFFAOYSA-N 1 2 266.366 2.328 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451829724 331043992 /nfs/dbraw/zinc/04/39/92/331043992.db2.gz CGJNPHGPDVJEKI-TZMCWYRMSA-N 1 2 274.364 2.497 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451829724 331043993 /nfs/dbraw/zinc/04/39/93/331043993.db2.gz CGJNPHGPDVJEKI-TZMCWYRMSA-N 1 2 274.364 2.497 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456408917 331192275 /nfs/dbraw/zinc/19/22/75/331192275.db2.gz ZOHSJPWPQUOABI-NWDGAFQWSA-N 1 2 265.357 2.061 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457288091 331218192 /nfs/dbraw/zinc/21/81/92/331218192.db2.gz APNVBEZSWKYVJL-CQSZACIVSA-N 1 2 297.424 2.372 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CC#N)C1CC1 ZINC000458755121 331259182 /nfs/dbraw/zinc/25/91/82/331259182.db2.gz DRHLYBPGWKCMST-GFCCVEGCSA-N 1 2 289.383 2.110 20 30 CEEDLO C=CCN(CC=C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459128404 331270915 /nfs/dbraw/zinc/27/09/15/331270915.db2.gz YIIOFZPXIZYJMH-NWDGAFQWSA-N 1 2 260.341 2.273 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000459457927 331282317 /nfs/dbraw/zinc/28/23/17/331282317.db2.gz DWKNWTHUNLISNW-JOYOIKCWSA-N 1 2 279.290 2.185 20 30 CEEDLO CO[C@@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@H]1OC ZINC000488059518 331988645 /nfs/dbraw/zinc/98/86/45/331988645.db2.gz BVXWRRMEJJAVQX-HUUCEWRRSA-N 1 2 279.767 2.037 20 30 CEEDLO C#C[C@H](NC(=O)c1ccc2[nH+]c(C)n(C)c2c1)C(C)C ZINC000490632017 332097760 /nfs/dbraw/zinc/09/77/60/332097760.db2.gz XRWFRYCRLGFHJS-ZDUSSCGKSA-N 1 2 269.348 2.269 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000490838406 332118954 /nfs/dbraw/zinc/11/89/54/332118954.db2.gz BJMNSLBYSLENSC-AWEZNQCLSA-N 1 2 282.343 2.260 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000490838406 332118955 /nfs/dbraw/zinc/11/89/55/332118955.db2.gz BJMNSLBYSLENSC-AWEZNQCLSA-N 1 2 282.343 2.260 20 30 CEEDLO C#CCN(C(=O)Nc1cc[nH+]c(C)c1)C1CCCC1 ZINC000491037912 332141343 /nfs/dbraw/zinc/14/13/43/332141343.db2.gz HCFZEVDFJKUJAW-UHFFFAOYSA-N 1 2 257.337 2.222 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491415650 332207628 /nfs/dbraw/zinc/20/76/28/332207628.db2.gz HWTDOCIZRKWVNQ-CYBMUJFWSA-N 1 2 284.363 2.244 20 30 CEEDLO C#CC[N@@H+](Cc1nc(C2CC2)nn1C)C1CCCCC1 ZINC000491474339 332218247 /nfs/dbraw/zinc/21/82/47/332218247.db2.gz LWJDLXGVTAKTLW-UHFFFAOYSA-N 1 2 272.396 2.460 20 30 CEEDLO C#CC[N@H+](Cc1nc(C2CC2)nn1C)C1CCCCC1 ZINC000491474339 332218248 /nfs/dbraw/zinc/21/82/48/332218248.db2.gz LWJDLXGVTAKTLW-UHFFFAOYSA-N 1 2 272.396 2.460 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000491554618 332236893 /nfs/dbraw/zinc/23/68/93/332236893.db2.gz KPQGWZJEZSLCHW-OAHLLOKOSA-N 1 2 297.358 2.003 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000491554618 332236894 /nfs/dbraw/zinc/23/68/94/332236894.db2.gz KPQGWZJEZSLCHW-OAHLLOKOSA-N 1 2 297.358 2.003 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cccc(Br)n1 ZINC000491657275 332268611 /nfs/dbraw/zinc/26/86/11/332268611.db2.gz JOWMPDFQXVGQHA-UHFFFAOYSA-N 1 2 277.165 2.303 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cccc(Br)n1 ZINC000491657275 332268612 /nfs/dbraw/zinc/26/86/12/332268612.db2.gz JOWMPDFQXVGQHA-UHFFFAOYSA-N 1 2 277.165 2.303 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000491690434 332287374 /nfs/dbraw/zinc/28/73/74/332287374.db2.gz MGKBZPNAPCOADW-UHFFFAOYSA-N 1 2 252.317 2.343 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000491690434 332287376 /nfs/dbraw/zinc/28/73/76/332287376.db2.gz MGKBZPNAPCOADW-UHFFFAOYSA-N 1 2 252.317 2.343 20 30 CEEDLO C#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000491744210 332322271 /nfs/dbraw/zinc/32/22/71/332322271.db2.gz LQSOWXJBDUVHID-CYBMUJFWSA-N 1 2 287.750 2.486 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000491745935 332323609 /nfs/dbraw/zinc/32/36/09/332323609.db2.gz ODQGWNLYLPYVQB-NSHDSACASA-N 1 2 274.755 2.374 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000491745935 332323610 /nfs/dbraw/zinc/32/36/10/332323610.db2.gz ODQGWNLYLPYVQB-NSHDSACASA-N 1 2 274.755 2.374 20 30 CEEDLO C#C[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491774395 332340586 /nfs/dbraw/zinc/34/05/86/332340586.db2.gz WDPMGIVAJQFFNE-ZDUSSCGKSA-N 1 2 253.305 2.014 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000491778460 332343529 /nfs/dbraw/zinc/34/35/29/332343529.db2.gz JBFHTUWAALXDPN-VIFPVBQESA-N 1 2 275.739 2.442 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000491778460 332343530 /nfs/dbraw/zinc/34/35/30/332343530.db2.gz JBFHTUWAALXDPN-VIFPVBQESA-N 1 2 275.739 2.442 20 30 CEEDLO C#CCN(CC)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491794766 332354417 /nfs/dbraw/zinc/35/44/17/332354417.db2.gz SLXAPJFHBUWPTH-OAHLLOKOSA-N 1 2 281.359 2.413 20 30 CEEDLO C#CCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491886083 332373488 /nfs/dbraw/zinc/37/34/88/332373488.db2.gz NGNJPMCPUQMEBH-TWGQIWQCSA-N 1 2 265.316 2.025 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(CCC#N)CC1CC1 ZINC000492275967 332390338 /nfs/dbraw/zinc/39/03/38/332390338.db2.gz LUWJOPIYCLBEPP-SREVYHEPSA-N 1 2 272.352 2.068 20 30 CEEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C#N)CCC#N ZINC000516637784 333079915 /nfs/dbraw/zinc/07/99/15/333079915.db2.gz ASKUHSWMYRGFKQ-NSHDSACASA-N 1 2 288.307 2.137 20 30 CEEDLO COC(=O)[C@@H]([NH2+]CCCCC#N)c1ccccc1C ZINC000184997959 333134408 /nfs/dbraw/zinc/13/44/08/333134408.db2.gz XSRGQFBWGFDTQS-AWEZNQCLSA-N 1 2 260.337 2.493 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000192226426 333232921 /nfs/dbraw/zinc/23/29/21/333232921.db2.gz VMHYEHLTVIRVJA-KGLIPLIRSA-N 1 2 270.376 2.308 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000192226426 333232923 /nfs/dbraw/zinc/23/29/23/333232923.db2.gz VMHYEHLTVIRVJA-KGLIPLIRSA-N 1 2 270.376 2.308 20 30 CEEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000229890509 333311126 /nfs/dbraw/zinc/31/11/26/333311126.db2.gz QEJLJQUVBVATKO-LLVKDONJSA-N 1 2 265.382 2.017 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](C)C#N ZINC000548120369 334140871 /nfs/dbraw/zinc/14/08/71/334140871.db2.gz DTQHXHJYYSBRKR-LLVKDONJSA-N 1 2 270.336 2.011 20 30 CEEDLO CC#CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548506351 334161176 /nfs/dbraw/zinc/16/11/76/334161176.db2.gz QCWMRRJMRPPVKN-HNNXBMFYSA-N 1 2 296.374 2.222 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000079828672 334163012 /nfs/dbraw/zinc/16/30/12/334163012.db2.gz JWFBXXKKCOZNHQ-UHFFFAOYSA-N 1 2 296.292 2.096 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CC#N)C1CCCC1 ZINC000137173885 334171053 /nfs/dbraw/zinc/17/10/53/334171053.db2.gz UINWIZXOYMJPJZ-BQYQJAHWSA-N 1 2 272.352 2.211 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000566428527 334648178 /nfs/dbraw/zinc/64/81/78/334648178.db2.gz HRYUOLNQDZGLAF-NWDGAFQWSA-N 1 2 288.376 2.007 20 30 CEEDLO N#CCCC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000566735165 334662255 /nfs/dbraw/zinc/66/22/55/334662255.db2.gz BHFCZQDDSZUYQS-UHFFFAOYSA-N 1 2 278.381 2.097 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCC1CCCC1 ZINC000568870413 334844209 /nfs/dbraw/zinc/84/42/09/334844209.db2.gz NRMNEVIUFGJXEK-OAHLLOKOSA-N 1 2 265.401 2.307 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000577365597 335342772 /nfs/dbraw/zinc/34/27/72/335342772.db2.gz DSACPOHZFDXPIB-JTQLQIEISA-N 1 2 298.306 2.004 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000578079934 335482722 /nfs/dbraw/zinc/48/27/22/335482722.db2.gz HJBWSUSBMLEGRS-SECBINFHSA-N 1 2 267.279 2.185 20 30 CEEDLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CCC#N)cc1 ZINC000579465272 335764129 /nfs/dbraw/zinc/76/41/29/335764129.db2.gz RCXKYANSZHFTPX-UHFFFAOYSA-N 1 2 294.420 2.261 20 30 CEEDLO C(#Cc1ccccc1)CN1CC[NH+](Cc2ccco2)CC1 ZINC000276767018 500571631 /nfs/dbraw/zinc/57/16/31/500571631.db2.gz HPKPTHSHSNNIDL-UHFFFAOYSA-N 1 2 280.371 2.449 20 30 CEEDLO C[C@H]1CCN(C(=O)NCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000334385138 500653829 /nfs/dbraw/zinc/65/38/29/500653829.db2.gz MRJURIHOIOWEMP-QWHCGFSZSA-N 1 2 289.383 2.025 20 30 CEEDLO C#CCC(C)(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000184081583 518241010 /nfs/dbraw/zinc/24/10/10/518241010.db2.gz MXYSAYZGEGRMPC-UHFFFAOYSA-N 1 2 259.353 2.049 20 30 CEEDLO Cc1cn2cc(NC(=O)N3CCC(C#N)CC3)ccc2[nH+]1 ZINC000336002451 534515254 /nfs/dbraw/zinc/51/52/54/534515254.db2.gz YDKLCVUDQVIXHR-UHFFFAOYSA-N 1 2 283.335 2.410 20 30 CEEDLO CN(C)c1noc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC000366712664 522406762 /nfs/dbraw/zinc/40/67/62/522406762.db2.gz HVTGMFOPMCAKBA-CQSZACIVSA-N 1 2 297.362 2.344 20 30 CEEDLO CN(C)c1noc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC000366712664 522406773 /nfs/dbraw/zinc/40/67/73/522406773.db2.gz HVTGMFOPMCAKBA-CQSZACIVSA-N 1 2 297.362 2.344 20 30 CEEDLO CC(=O)N(c1nc(C[NH2+]CCCC#N)cs1)C1CC1 ZINC000344323791 526505870 /nfs/dbraw/zinc/50/58/70/526505870.db2.gz JQLVTKZWMUEEBC-UHFFFAOYSA-N 1 2 278.381 2.052 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353299115 527123757 /nfs/dbraw/zinc/12/37/57/527123757.db2.gz LYPWZBYRUUCDMJ-OAHLLOKOSA-N 1 2 297.443 2.095 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353299115 527123762 /nfs/dbraw/zinc/12/37/62/527123762.db2.gz LYPWZBYRUUCDMJ-OAHLLOKOSA-N 1 2 297.443 2.095 20 30 CEEDLO C=CCN(C)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000336454062 527568967 /nfs/dbraw/zinc/56/89/67/527568967.db2.gz WGGPXPGFNOJEND-UHFFFAOYSA-N 1 2 295.386 2.481 20 30 CEEDLO C=CCN(C)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000336454062 527568973 /nfs/dbraw/zinc/56/89/73/527568973.db2.gz WGGPXPGFNOJEND-UHFFFAOYSA-N 1 2 295.386 2.481 20 30 CEEDLO CC1([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000330284161 528016625 /nfs/dbraw/zinc/01/66/25/528016625.db2.gz XCRDCELBWCWKGU-LBPRGKRZSA-N 1 2 276.384 2.424 20 30 CEEDLO CC1(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000330284161 528016629 /nfs/dbraw/zinc/01/66/29/528016629.db2.gz XCRDCELBWCWKGU-LBPRGKRZSA-N 1 2 276.384 2.424 20 30 CEEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnn(C)c1 ZINC000730147632 574502712 /nfs/dbraw/zinc/50/27/12/574502712.db2.gz GZYWEDNHFVTCOW-UHFFFAOYSA-N 1 2 265.320 2.226 20 30 CEEDLO CC(=[NH+]Nc1cn[nH]c(=O)c1Cl)c1ccc(N)cc1 ZINC000730569928 574522380 /nfs/dbraw/zinc/52/23/80/574522380.db2.gz BVOQQFOJGKGLIE-UHFFFAOYSA-N 1 2 277.715 2.254 20 30 CEEDLO Cc1nn(C)c(C)c1C[C@H](C)/[NH+]=C\c1cccc(O)c1O ZINC000741756247 574677713 /nfs/dbraw/zinc/67/77/13/574677713.db2.gz JLXVANQKOBZXEQ-HLGUWXJESA-N 1 2 287.363 2.498 20 30 CEEDLO C=CCNC(=S)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000734309117 574707377 /nfs/dbraw/zinc/70/73/77/574707377.db2.gz AHHKJPDXYOVKSU-GFCCVEGCSA-N 1 2 299.390 2.218 20 30 CEEDLO Cc1ccc(F)c(NC(=S)NN=Cc2c[nH+]cn2C)c1 ZINC000755672211 574745593 /nfs/dbraw/zinc/74/55/93/574745593.db2.gz KNTYLCFOXOSESQ-UHFFFAOYSA-N 1 2 291.355 2.188 20 30 CEEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCOCC1 ZINC000735309305 574752198 /nfs/dbraw/zinc/75/21/98/574752198.db2.gz BMJOFPWQEBBFPQ-UHFFFAOYSA-N 1 2 280.755 2.465 20 30 CEEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCOCC1 ZINC000735309305 574752201 /nfs/dbraw/zinc/75/22/01/574752201.db2.gz BMJOFPWQEBBFPQ-UHFFFAOYSA-N 1 2 280.755 2.465 20 30 CEEDLO C=C(Cl)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000736239081 574779478 /nfs/dbraw/zinc/77/94/78/574779478.db2.gz QLSUPPCNQNQOEB-UHFFFAOYSA-N 1 2 261.712 2.355 20 30 CEEDLO C=C(Cl)CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000736659435 574794126 /nfs/dbraw/zinc/79/41/26/574794126.db2.gz PNDLIZFOYOCXAU-UHFFFAOYSA-N 1 2 282.775 2.325 20 30 CEEDLO CC[C@H]1COCC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000738083341 574851566 /nfs/dbraw/zinc/85/15/66/574851566.db2.gz WKDVVMXXESXFGV-INIZCTEOSA-N 1 2 296.374 2.490 20 30 CEEDLO CC[C@H]1COCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000738083341 574851567 /nfs/dbraw/zinc/85/15/67/574851567.db2.gz WKDVVMXXESXFGV-INIZCTEOSA-N 1 2 296.374 2.490 20 30 CEEDLO Oc1ccc2ccccc2c1/C=[NH+]/Cc1nnnn1C1CC1 ZINC000743044817 575041928 /nfs/dbraw/zinc/04/19/28/575041928.db2.gz RPBFTWIRZNTUSF-RQZCQDPDSA-N 1 2 293.330 2.486 20 30 CEEDLO CCOc1ccc(/C=[NH+]/C2CCN(C(C)=O)CC2)c(O)c1 ZINC000743334429 575049242 /nfs/dbraw/zinc/04/92/42/575049242.db2.gz XFSSONGLKMHXFP-GZTJUZNOSA-N 1 2 290.363 2.221 20 30 CEEDLO CCOc1cccc(/C=[NH+]\C2CCN(C(C)=O)CC2)c1O ZINC000743333920 575049278 /nfs/dbraw/zinc/04/92/78/575049278.db2.gz GJJUXARPLAVHSL-BOPFTXTBSA-N 1 2 290.363 2.221 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000746456672 575156703 /nfs/dbraw/zinc/15/67/03/575156703.db2.gz DXRSKKZHLQOGGD-AWEZNQCLSA-N 1 2 270.376 2.309 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000746456672 575156704 /nfs/dbraw/zinc/15/67/04/575156704.db2.gz DXRSKKZHLQOGGD-AWEZNQCLSA-N 1 2 270.376 2.309 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000752074955 575304917 /nfs/dbraw/zinc/30/49/17/575304917.db2.gz GJOHCMSYMPTVRG-UHFFFAOYSA-N 1 2 280.327 2.419 20 30 CEEDLO CC(C)[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824288928 608586242 /nfs/dbraw/zinc/58/62/42/608586242.db2.gz QGMMSWGZXZAJSB-UHFFFAOYSA-N 1 2 276.369 2.052 20 30 CEEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)s1 ZINC000824288928 608586244 /nfs/dbraw/zinc/58/62/44/608586244.db2.gz QGMMSWGZXZAJSB-UHFFFAOYSA-N 1 2 276.369 2.052 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)oc(C)c2C)C1 ZINC000950814562 612991862 /nfs/dbraw/zinc/99/18/62/612991862.db2.gz HKHXXYISEPVNFD-UHFFFAOYSA-N 1 2 288.391 2.374 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(C)c2F)C1 ZINC000950389284 612991971 /nfs/dbraw/zinc/99/19/71/612991971.db2.gz POHKJJRSNODCID-UHFFFAOYSA-N 1 2 288.366 2.304 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC000957080305 613296044 /nfs/dbraw/zinc/29/60/44/613296044.db2.gz ULWRNFYNIZRAOC-UHFFFAOYSA-N 1 2 288.395 2.010 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC000950010488 613296362 /nfs/dbraw/zinc/29/63/62/613296362.db2.gz HGHWNHNWABTZMY-UHFFFAOYSA-N 1 2 275.396 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc(C)c2)C1 ZINC000956985197 613296811 /nfs/dbraw/zinc/29/68/11/613296811.db2.gz JFXOASPVFDAVES-UHFFFAOYSA-N 1 2 273.380 2.112 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000974629062 613301555 /nfs/dbraw/zinc/30/15/55/613301555.db2.gz JMBYSSYXCQPBBF-NSHDSACASA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000974629062 613301556 /nfs/dbraw/zinc/30/15/56/613301556.db2.gz JMBYSSYXCQPBBF-NSHDSACASA-N 1 2 296.823 2.475 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC(F)(F)C2)C1 ZINC000969468910 613371560 /nfs/dbraw/zinc/37/15/60/613371560.db2.gz CWSPQTVLMVMURC-SECBINFHSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2occc2C)C1 ZINC000969284326 613372040 /nfs/dbraw/zinc/37/20/40/613372040.db2.gz FICRUJBPTOKEKI-LLVKDONJSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC23CCC3)C1 ZINC000970509920 613372159 /nfs/dbraw/zinc/37/21/59/613372159.db2.gz SXNLZNDAPUIUCO-AAEUAGOBSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccc(C)o2)CC1 ZINC000980997128 613373259 /nfs/dbraw/zinc/37/32/59/613373259.db2.gz RHVOTJLXWRZGGK-UHFFFAOYSA-N 1 2 296.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccc(C)o2)CC1 ZINC000980997128 613373260 /nfs/dbraw/zinc/37/32/60/613373260.db2.gz RHVOTJLXWRZGGK-UHFFFAOYSA-N 1 2 296.798 2.417 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccn2)C1 ZINC000964631980 613378074 /nfs/dbraw/zinc/37/80/74/613378074.db2.gz IBSXYDTZVLXQIW-SMDDNHRTSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccn2)C1 ZINC000964631980 613378075 /nfs/dbraw/zinc/37/80/75/613378075.db2.gz IBSXYDTZVLXQIW-SMDDNHRTSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC000972745406 613379479 /nfs/dbraw/zinc/37/94/79/613379479.db2.gz CHNYRSGPUOEZNS-SNVBAGLBSA-N 1 2 276.783 2.314 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC000972745406 613379480 /nfs/dbraw/zinc/37/94/80/613379480.db2.gz CHNYRSGPUOEZNS-SNVBAGLBSA-N 1 2 276.783 2.314 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC000952394196 613657120 /nfs/dbraw/zinc/65/71/20/613657120.db2.gz ILEKBUBKNLRZPO-UHFFFAOYSA-N 1 2 283.375 2.272 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)CC1 ZINC000957817691 613707108 /nfs/dbraw/zinc/70/71/08/613707108.db2.gz WDMBCLNQUBHIQA-UHFFFAOYSA-N 1 2 296.414 2.439 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000957361314 613710790 /nfs/dbraw/zinc/71/07/90/613710790.db2.gz PBSIWDRATVGLHP-AWEZNQCLSA-N 1 2 258.365 2.120 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000950725139 613711141 /nfs/dbraw/zinc/71/11/41/613711141.db2.gz BKRYUICQBJQFGS-QGZVFWFLSA-N 1 2 284.403 2.122 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000957832603 613715771 /nfs/dbraw/zinc/71/57/71/613715771.db2.gz MMAAXWIXKXHVPC-UHFFFAOYSA-N 1 2 262.328 2.100 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000890655632 622756890 /nfs/dbraw/zinc/75/68/90/622756890.db2.gz PECUUVBBRVMQMH-ZDUSSCGKSA-N 1 2 295.342 2.206 20 30 CEEDLO C=CCCCN(CC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000890809042 622994808 /nfs/dbraw/zinc/99/48/08/622994808.db2.gz IEUARZRWMIOGGB-FYWRMAATSA-N 1 2 280.412 2.080 20 30 CEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCC)C1 ZINC000970968772 623350394 /nfs/dbraw/zinc/35/03/94/623350394.db2.gz MUMUZYCELGKWME-NSHDSACASA-N 1 2 289.217 2.228 20 30 CEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCC)C1 ZINC000970968772 623350402 /nfs/dbraw/zinc/35/04/02/623350402.db2.gz MUMUZYCELGKWME-NSHDSACASA-N 1 2 289.217 2.228 20 30 CEEDLO CC(C)(C)OCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000050957060 623547085 /nfs/dbraw/zinc/54/70/85/623547085.db2.gz NUOJZOQWNIXNKN-UHFFFAOYSA-N 1 2 254.305 2.278 20 30 CEEDLO C=C(C)CN(CC)c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000891723580 623927680 /nfs/dbraw/zinc/92/76/80/623927680.db2.gz PJVGXZROIIDANO-GFCCVEGCSA-N 1 2 264.373 2.062 20 30 CEEDLO C=C(C)CN(CC)c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000891723580 623927681 /nfs/dbraw/zinc/92/76/81/623927681.db2.gz PJVGXZROIIDANO-GFCCVEGCSA-N 1 2 264.373 2.062 20 30 CEEDLO CC(C)C(=O)N1CCC[N@H+](Cc2csc(C#N)c2)CC1 ZINC000891741100 623937447 /nfs/dbraw/zinc/93/74/47/623937447.db2.gz JJBPZQXWUBCENT-UHFFFAOYSA-N 1 2 291.420 2.310 20 30 CEEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000891741100 623937450 /nfs/dbraw/zinc/93/74/50/623937450.db2.gz JJBPZQXWUBCENT-UHFFFAOYSA-N 1 2 291.420 2.310 20 30 CEEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933682830 623964468 /nfs/dbraw/zinc/96/44/68/623964468.db2.gz YAPDXQZRAMITSE-MSOLQXFVSA-N 1 2 285.387 2.308 20 30 CEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933682830 623964474 /nfs/dbraw/zinc/96/44/74/623964474.db2.gz YAPDXQZRAMITSE-MSOLQXFVSA-N 1 2 285.387 2.308 20 30 CEEDLO N#Cc1ccc(NCCCNc2cccc[nH+]2)c(CO)c1 ZINC000891871152 624049518 /nfs/dbraw/zinc/04/95/18/624049518.db2.gz UXUILXWOYQQGOF-UHFFFAOYSA-N 1 2 282.347 2.360 20 30 CEEDLO Cn1ncc(C[N@H+](CCC#N)CC2CC2)c1C1CC1 ZINC000891937692 624121164 /nfs/dbraw/zinc/12/11/64/624121164.db2.gz OUJHPAMIAHKNRJ-UHFFFAOYSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1ncc(C[N@@H+](CCC#N)CC2CC2)c1C1CC1 ZINC000891937692 624121165 /nfs/dbraw/zinc/12/11/65/624121165.db2.gz OUJHPAMIAHKNRJ-UHFFFAOYSA-N 1 2 258.369 2.423 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000934462671 624510300 /nfs/dbraw/zinc/51/03/00/624510300.db2.gz ZWZAQDHXIXWVDB-STQMWFEESA-N 1 2 287.388 2.375 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000934462671 624510303 /nfs/dbraw/zinc/51/03/03/624510303.db2.gz ZWZAQDHXIXWVDB-STQMWFEESA-N 1 2 287.388 2.375 20 30 CEEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000934510271 624549567 /nfs/dbraw/zinc/54/95/67/624549567.db2.gz VODLCRRUQPVTLH-MRXNPFEDSA-N 1 2 295.386 2.421 20 30 CEEDLO 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ZINC000819398431 634170024 /nfs/dbraw/zinc/17/00/24/634170024.db2.gz MMGJOECYXRAGLZ-AWEZNQCLSA-N 1 2 291.395 2.094 20 30 CEEDLO C#CCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819884480 634275991 /nfs/dbraw/zinc/27/59/91/634275991.db2.gz NWWKRAZIJKNEOO-OAHLLOKOSA-N 1 2 281.359 2.461 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccn(C)n1 ZINC000903016840 634926103 /nfs/dbraw/zinc/92/61/03/634926103.db2.gz IIBOOHCBGJDNAD-MNOVXSKESA-N 1 2 255.325 2.099 20 30 CEEDLO CCn1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)n1 ZINC000903019084 634928310 /nfs/dbraw/zinc/92/83/10/634928310.db2.gz JYCWIZHMMQCXIM-LLVKDONJSA-N 1 2 255.325 2.020 20 30 CEEDLO CCc1ncc(C[NH2+][C@H](C)c2cc(C#N)ccn2)o1 ZINC000903011944 634938436 /nfs/dbraw/zinc/93/84/36/634938436.db2.gz KIGMYHZCOMNGLW-SNVBAGLBSA-N 1 2 256.309 2.354 20 30 CEEDLO C#C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(C)C ZINC000822665977 634967977 /nfs/dbraw/zinc/96/79/77/634967977.db2.gz BALQJRCCIPPLGQ-KBPBESRZSA-N 1 2 261.369 2.244 20 30 CEEDLO CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C#N)c1O ZINC000903412253 635106288 /nfs/dbraw/zinc/10/62/88/635106288.db2.gz TXBKLNDUZHGYEU-CABCVRRESA-N 1 2 274.364 2.466 20 30 CEEDLO CC(C)C#CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000823438554 635176843 /nfs/dbraw/zinc/17/68/43/635176843.db2.gz HXTDFAJLXGLRTO-UHFFFAOYSA-N 1 2 286.375 2.117 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000824289869 635397430 /nfs/dbraw/zinc/39/74/30/635397430.db2.gz CPALAJRKQHLWBL-VXGBXAGGSA-N 1 2 299.296 2.248 20 30 CEEDLO CCC(CC)CN(CCC#N)C(=O)Cc1[nH]cc[nH+]1 ZINC000826554993 635782379 /nfs/dbraw/zinc/78/23/79/635782379.db2.gz OMPNUJWCMUEXGK-UHFFFAOYSA-N 1 2 262.357 2.131 20 30 CEEDLO C#CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000826586253 635789813 /nfs/dbraw/zinc/78/98/13/635789813.db2.gz ZSBGQLFYVZHCSO-GFCCVEGCSA-N 1 2 256.353 2.291 20 30 CEEDLO C#CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000826586253 635789819 /nfs/dbraw/zinc/78/98/19/635789819.db2.gz ZSBGQLFYVZHCSO-GFCCVEGCSA-N 1 2 256.353 2.291 20 30 CEEDLO CCn1nc(C)c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)n1 ZINC000905085104 635799392 /nfs/dbraw/zinc/79/93/92/635799392.db2.gz FXDSWYBCSKSFKO-FPLPWBNLSA-N 1 2 295.346 2.459 20 30 CEEDLO COCOc1ccc(OC)cc1C[NH+]1CC(CC#N)C1 ZINC000826990066 636179146 /nfs/dbraw/zinc/17/91/46/636179146.db2.gz AFJQBSROBFJFSN-UHFFFAOYSA-N 1 2 276.336 2.023 20 30 CEEDLO C[C@H]1CCN(C(=O)C#Cc2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000827064144 636203921 /nfs/dbraw/zinc/20/39/21/636203921.db2.gz PTDNNBNJEYFMGW-ZFWWWQNUSA-N 1 2 299.399 2.406 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1ccc(F)cc1)C(=O)OC ZINC000905747956 636409326 /nfs/dbraw/zinc/40/93/26/636409326.db2.gz SAXMEYBPPHSFDX-CYBMUJFWSA-N 1 2 251.301 2.076 20 30 CEEDLO C#CC[N@H+](CN1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000905749144 636411311 /nfs/dbraw/zinc/41/13/11/636411311.db2.gz MWBDMJJWRHGSFX-HNNXBMFYSA-N 1 2 272.348 2.481 20 30 CEEDLO C#CC[N@@H+](CN1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000905749144 636411313 /nfs/dbraw/zinc/41/13/13/636411313.db2.gz MWBDMJJWRHGSFX-HNNXBMFYSA-N 1 2 272.348 2.481 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1ccccc1OCC)C(=O)OC ZINC000905754428 636441385 /nfs/dbraw/zinc/44/13/85/636441385.db2.gz GWGMAWWTYGHHPZ-AWEZNQCLSA-N 1 2 277.364 2.335 20 30 CEEDLO Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000906199236 636646226 /nfs/dbraw/zinc/64/62/26/636646226.db2.gz MJGLQYRFIUOQMZ-CQSZACIVSA-N 1 2 296.374 2.119 20 30 CEEDLO N#CCSCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143564 636786042 /nfs/dbraw/zinc/78/60/42/636786042.db2.gz SAQLMOSHHJDJEK-UHFFFAOYSA-N 1 2 282.800 2.135 20 30 CEEDLO N#CCSCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143564 636786043 /nfs/dbraw/zinc/78/60/43/636786043.db2.gz SAQLMOSHHJDJEK-UHFFFAOYSA-N 1 2 282.800 2.135 20 30 CEEDLO Cc1[nH]c(CNC(=O)[C@]2(C#N)CC3CCC2CC3)[nH+]c1C ZINC000906946363 636907056 /nfs/dbraw/zinc/90/70/56/636907056.db2.gz RMAUZBRKWAQEPB-ZUEPYMLJSA-N 1 2 286.379 2.363 20 30 CEEDLO COc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C#N ZINC000830408697 637062744 /nfs/dbraw/zinc/06/27/44/637062744.db2.gz LHZPQYOUYCILQR-VXGBXAGGSA-N 1 2 282.303 2.032 20 30 CEEDLO COc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C#N ZINC000830408697 637062747 /nfs/dbraw/zinc/06/27/47/637062747.db2.gz LHZPQYOUYCILQR-VXGBXAGGSA-N 1 2 282.303 2.032 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(C#N)ccc1F ZINC000830493262 637083743 /nfs/dbraw/zinc/08/37/43/637083743.db2.gz WWRAVHFHRCQYDL-UHFFFAOYSA-N 1 2 286.310 2.056 20 30 CEEDLO C=C1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000830990506 637211024 /nfs/dbraw/zinc/21/10/24/637211024.db2.gz BUXRTVZSTDWFIB-CQSZACIVSA-N 1 2 273.380 2.308 20 30 CEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC000908647047 637441998 /nfs/dbraw/zinc/44/19/98/637441998.db2.gz XAIBUVKRXLXHRL-CQSZACIVSA-N 1 2 289.379 2.190 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908993331 637565990 /nfs/dbraw/zinc/56/59/90/637565990.db2.gz BKSFMGIASMJCSP-OLZOCXBDSA-N 1 2 260.337 2.080 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000911313922 638275928 /nfs/dbraw/zinc/27/59/28/638275928.db2.gz ZBPUWXIRNQTRCB-LLVKDONJSA-N 1 2 268.320 2.043 20 30 CEEDLO CC(C)(CNC(=O)c1cc(C#N)ccc1F)n1cc[nH+]c1 ZINC000912613765 638744978 /nfs/dbraw/zinc/74/49/78/638744978.db2.gz AXAQWENZIGSEHC-UHFFFAOYSA-N 1 2 286.310 2.059 20 30 CEEDLO CC(C)(C)C#CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000837343618 639194963 /nfs/dbraw/zinc/19/49/63/639194963.db2.gz CGCFDRUOEKLUDQ-UHFFFAOYSA-N 1 2 285.391 2.216 20 30 CEEDLO Cn1cncc1/C=C1\CCC/C(=C\c2c[nH+]cn2C)C1=O ZINC000058582927 639517458 /nfs/dbraw/zinc/51/74/58/639517458.db2.gz BUJHLKYVYBLIEL-PWHKKFIBSA-N 1 2 282.347 2.374 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000913648851 640055876 /nfs/dbraw/zinc/05/58/76/640055876.db2.gz QHBILQHOEXWVHR-QINSGFPZSA-N 1 2 294.439 2.374 20 30 CEEDLO C#CC[C@@H]1CCC[N@@H+](Cn2cc(Br)cn2)C1 ZINC000842628285 640124572 /nfs/dbraw/zinc/12/45/72/640124572.db2.gz AGRUZTOFBHXPSW-LLVKDONJSA-N 1 2 282.185 2.338 20 30 CEEDLO C#CC[C@@H]1CCC[N@H+](Cn2cc(Br)cn2)C1 ZINC000842628285 640124576 /nfs/dbraw/zinc/12/45/76/640124576.db2.gz AGRUZTOFBHXPSW-LLVKDONJSA-N 1 2 282.185 2.338 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843394997 640416282 /nfs/dbraw/zinc/41/62/82/640416282.db2.gz JAJCUCNACIRFRZ-UHFFFAOYSA-N 1 2 281.359 2.447 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843394997 640416284 /nfs/dbraw/zinc/41/62/84/640416284.db2.gz JAJCUCNACIRFRZ-UHFFFAOYSA-N 1 2 281.359 2.447 20 30 CEEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H]1C ZINC000994325369 640808077 /nfs/dbraw/zinc/80/80/77/640808077.db2.gz CSITWWZFRBHHMO-GXTWGEPZSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H]1C ZINC000994325369 640808080 /nfs/dbraw/zinc/80/80/80/640808080.db2.gz CSITWWZFRBHHMO-GXTWGEPZSA-N 1 2 298.390 2.332 20 30 CEEDLO C[C@H](CC(=O)OCC(=O)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000845277629 640942501 /nfs/dbraw/zinc/94/25/01/640942501.db2.gz JIOVSBVEUZERCM-GFCCVEGCSA-N 1 2 297.314 2.132 20 30 CEEDLO C=C[C@@H](C)ONC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000845633183 641029861 /nfs/dbraw/zinc/02/98/61/641029861.db2.gz JGFYEAMCDMFPHA-LLVKDONJSA-N 1 2 293.367 2.355 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000919938795 641097319 /nfs/dbraw/zinc/09/73/19/641097319.db2.gz TVCLKHRDWTTZNK-NEPJUHHUSA-N 1 2 281.429 2.463 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000919938795 641097323 /nfs/dbraw/zinc/09/73/23/641097323.db2.gz TVCLKHRDWTTZNK-NEPJUHHUSA-N 1 2 281.429 2.463 20 30 CEEDLO C#CCOc1ccccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845956059 641137248 /nfs/dbraw/zinc/13/72/48/641137248.db2.gz FBMONTNPFMNQAL-CYBMUJFWSA-N 1 2 283.331 2.485 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnc(C3OCCO3)s2)CCCC1 ZINC000846011726 641151059 /nfs/dbraw/zinc/15/10/59/641151059.db2.gz YICLIGQJXSHJLD-UHFFFAOYSA-N 1 2 293.392 2.362 20 30 CEEDLO CC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000846947865 641494744 /nfs/dbraw/zinc/49/47/44/641494744.db2.gz IBBAFJZLPQLRDT-GFCCVEGCSA-N 1 2 299.374 2.186 20 30 CEEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000847023365 641530423 /nfs/dbraw/zinc/53/04/23/641530423.db2.gz LHPMOYMYKMZLRL-KGLIPLIRSA-N 1 2 281.363 2.069 20 30 CEEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000847023365 641530427 /nfs/dbraw/zinc/53/04/27/641530427.db2.gz LHPMOYMYKMZLRL-KGLIPLIRSA-N 1 2 281.363 2.069 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000847385684 641652784 /nfs/dbraw/zinc/65/27/84/641652784.db2.gz GAHBKCXVKLHVNH-CQSZACIVSA-N 1 2 271.364 2.253 20 30 CEEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000106861293 641663462 /nfs/dbraw/zinc/66/34/62/641663462.db2.gz YHFFDCBYZNKGOF-UHFFFAOYSA-N 1 2 288.391 2.045 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000106861293 641663468 /nfs/dbraw/zinc/66/34/68/641663468.db2.gz YHFFDCBYZNKGOF-UHFFFAOYSA-N 1 2 288.391 2.045 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000847436189 641664853 /nfs/dbraw/zinc/66/48/53/641664853.db2.gz HDZCOQDHJWLWPV-GFCCVEGCSA-N 1 2 267.332 2.233 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000847436189 641664858 /nfs/dbraw/zinc/66/48/58/641664858.db2.gz HDZCOQDHJWLWPV-GFCCVEGCSA-N 1 2 267.332 2.233 20 30 CEEDLO FC1(F)CCC(N=NCCCn2cc[nH+]c2)CC1 ZINC000848416674 641985157 /nfs/dbraw/zinc/98/51/57/641985157.db2.gz UQBNSYNJCSKOES-UHFFFAOYSA-N 1 2 256.300 2.428 20 30 CEEDLO COc1ccc(F)c(C=NNCCCn2cc[nH+]c2)c1 ZINC000848417292 641986112 /nfs/dbraw/zinc/98/61/12/641986112.db2.gz SUUUKTNFNAADBP-UHFFFAOYSA-N 1 2 276.315 2.045 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1coc(C(C)C)n1 ZINC000848417078 641986129 /nfs/dbraw/zinc/98/61/29/641986129.db2.gz KEJMBTNIOORJCE-UHFFFAOYSA-N 1 2 275.356 2.398 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(C)ccc1O ZINC000848418799 641987082 /nfs/dbraw/zinc/98/70/82/641987082.db2.gz NKUDVDXWUVKJLW-UHFFFAOYSA-N 1 2 272.352 2.301 20 30 CEEDLO CC1(C)C(=NNCCCn2cc[nH+]c2)[C@@H]2CCCO[C@H]21 ZINC000848418553 641987366 /nfs/dbraw/zinc/98/73/66/641987366.db2.gz PVSRHNWWXDOZTF-GXTWGEPZSA-N 1 2 276.384 2.054 20 30 CEEDLO N#Cc1ccc2c(c1)CCCC2=NNCCCn1cc[nH+]c1 ZINC000848418466 641987379 /nfs/dbraw/zinc/98/73/79/641987379.db2.gz NSTCANBSJUBDKD-UHFFFAOYSA-N 1 2 293.374 2.475 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000848418582 641987415 /nfs/dbraw/zinc/98/74/15/641987415.db2.gz NULFZWLYQUBOBX-UHFFFAOYSA-N 1 2 285.326 2.298 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cn2nnc(-c3ccc(F)c(C)c3)n2)C1 ZINC000848492896 642013332 /nfs/dbraw/zinc/01/33/32/642013332.db2.gz HODNEMGBWXFAKL-CYBMUJFWSA-N 1 2 299.353 2.090 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cn2nnc(-c3ccc(F)c(C)c3)n2)C1 ZINC000848492896 642013338 /nfs/dbraw/zinc/01/33/38/642013338.db2.gz HODNEMGBWXFAKL-CYBMUJFWSA-N 1 2 299.353 2.090 20 30 CEEDLO Cc1cc(C#N)ccc1CO[NH+]=C(N)Cc1cccnc1 ZINC000186001795 642055094 /nfs/dbraw/zinc/05/50/94/642055094.db2.gz DNQGXEZQCZHNTC-UHFFFAOYSA-N 1 2 280.331 2.293 20 30 CEEDLO C#C[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000848750465 642126514 /nfs/dbraw/zinc/12/65/14/642126514.db2.gz QYCDZZSDGYVKLM-AWEZNQCLSA-N 1 2 270.380 2.317 20 30 CEEDLO C#C[C@H]1CCCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000848750465 642126518 /nfs/dbraw/zinc/12/65/18/642126518.db2.gz QYCDZZSDGYVKLM-AWEZNQCLSA-N 1 2 270.380 2.317 20 30 CEEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769306375 642129394 /nfs/dbraw/zinc/12/93/94/642129394.db2.gz SRHNHOYWWQVPHT-GFCCVEGCSA-N 1 2 290.363 2.361 20 30 CEEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769306375 642129395 /nfs/dbraw/zinc/12/93/95/642129395.db2.gz SRHNHOYWWQVPHT-GFCCVEGCSA-N 1 2 290.363 2.361 20 30 CEEDLO COC(=O)/C=C/c1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000848918138 642190973 /nfs/dbraw/zinc/19/09/73/642190973.db2.gz QJAPTKFGQAOHOI-AATRIKPKSA-N 1 2 274.320 2.249 20 30 CEEDLO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCC1 ZINC000921545950 642219451 /nfs/dbraw/zinc/21/94/51/642219451.db2.gz HBUBQEQBGSHICN-OAHLLOKOSA-N 1 2 295.346 2.079 20 30 CEEDLO CNC(=O)c1cccc(CC/[NH+]=C/c2ccccc2O)c1 ZINC000126559992 650744232 /nfs/dbraw/zinc/74/42/32/650744232.db2.gz ZUCLAUARSRPJNI-XDHOZWIPSA-N 1 2 282.343 2.413 20 30 CEEDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1csc(C#N)c1 ZINC000921831387 642703063 /nfs/dbraw/zinc/70/30/63/642703063.db2.gz SARRZKSGRKBLTC-LBPRGKRZSA-N 1 2 287.392 2.398 20 30 CEEDLO C=CC[N@H+]1CC=C(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC001001289872 642706895 /nfs/dbraw/zinc/70/68/95/642706895.db2.gz DAVDNIIHAGFQQT-UHFFFAOYSA-N 1 2 296.374 2.111 20 30 CEEDLO C=CC[N@@H+]1CC=C(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC001001289872 642706898 /nfs/dbraw/zinc/70/68/98/642706898.db2.gz DAVDNIIHAGFQQT-UHFFFAOYSA-N 1 2 296.374 2.111 20 30 CEEDLO CC[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCOC1 ZINC000877543632 650778777 /nfs/dbraw/zinc/77/87/77/650778777.db2.gz DBMIAROXORNCJB-GFCCVEGCSA-N 1 2 265.744 2.217 20 30 CEEDLO CC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCOC1 ZINC000877543632 650778779 /nfs/dbraw/zinc/77/87/79/650778779.db2.gz DBMIAROXORNCJB-GFCCVEGCSA-N 1 2 265.744 2.217 20 30 CEEDLO C#CC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000877583284 650800371 /nfs/dbraw/zinc/80/03/71/650800371.db2.gz NZQNVUMMIKFQCY-SYAUCNOPSA-N 1 2 271.360 2.333 20 30 CEEDLO CN(C)Cc1csc(C[NH2+]Cc2csc(C#N)c2)n1 ZINC000922486432 643092401 /nfs/dbraw/zinc/09/24/01/643092401.db2.gz DYFKOANFYCQVAM-UHFFFAOYSA-N 1 2 292.433 2.428 20 30 CEEDLO C#CC[N@@H+](Cc1[nH]nc(C)c1C(=O)OCC)C1CCCC1 ZINC000851807925 643173434 /nfs/dbraw/zinc/17/34/34/643173434.db2.gz KDZNGRGRCQHYBA-UHFFFAOYSA-N 1 2 289.379 2.273 20 30 CEEDLO C#CC[N@H+](Cc1[nH]nc(C)c1C(=O)OCC)C1CCCC1 ZINC000851807925 643173438 /nfs/dbraw/zinc/17/34/38/643173438.db2.gz KDZNGRGRCQHYBA-UHFFFAOYSA-N 1 2 289.379 2.273 20 30 CEEDLO C#CCOCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000851883905 643208178 /nfs/dbraw/zinc/20/81/78/643208178.db2.gz ZMBZSEJTIDNLOP-MRXNPFEDSA-N 1 2 277.339 2.157 20 30 CEEDLO C#CCOCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000851883905 643208185 /nfs/dbraw/zinc/20/81/85/643208185.db2.gz ZMBZSEJTIDNLOP-MRXNPFEDSA-N 1 2 277.339 2.157 20 30 CEEDLO CC[C@@H](C)[C@H]([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000851927521 643228468 /nfs/dbraw/zinc/22/84/68/643228468.db2.gz BASMUFVYQASEHT-DOMZBBRYSA-N 1 2 274.364 2.278 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CCn1cnc(Br)n1 ZINC000851995835 643258417 /nfs/dbraw/zinc/25/84/17/643258417.db2.gz ZRWOSFGCDVXFAM-JTQLQIEISA-N 1 2 285.189 2.081 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CCn1cnc(Br)n1 ZINC000851995835 643258421 /nfs/dbraw/zinc/25/84/21/643258421.db2.gz ZRWOSFGCDVXFAM-JTQLQIEISA-N 1 2 285.189 2.081 20 30 CEEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)C1CC1 ZINC001004391069 643267331 /nfs/dbraw/zinc/26/73/31/643267331.db2.gz IZCQQBXQWDLPFJ-BBRMVZONSA-N 1 2 289.423 2.259 20 30 CEEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)C1CC1 ZINC001004391069 643267335 /nfs/dbraw/zinc/26/73/35/643267335.db2.gz IZCQQBXQWDLPFJ-BBRMVZONSA-N 1 2 289.423 2.259 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)CCn1cccn1)C(=O)OCC ZINC000877671554 650843757 /nfs/dbraw/zinc/84/37/57/650843757.db2.gz KPYCJWBWMWIKMU-OLZOCXBDSA-N 1 2 299.802 2.326 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000852752208 643536550 /nfs/dbraw/zinc/53/65/50/643536550.db2.gz XCOCDCZPIPQFCF-UHFFFAOYSA-N 1 2 268.338 2.128 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000852752208 643536554 /nfs/dbraw/zinc/53/65/54/643536554.db2.gz XCOCDCZPIPQFCF-UHFFFAOYSA-N 1 2 268.338 2.128 20 30 CEEDLO Cc1[nH]c(CN=Nc2nccnc2C(C)C)[nH+]c1C ZINC000853341783 643748985 /nfs/dbraw/zinc/74/89/85/643748985.db2.gz WNNNJMTVEFIZMK-UHFFFAOYSA-N 1 2 258.329 2.386 20 30 CEEDLO C#CC[C@@H]([NH2+][C@H](C)CCC1CCCC1)C(=O)OC ZINC000839168276 644177495 /nfs/dbraw/zinc/17/74/95/644177495.db2.gz JFGIKEAIBIPFCY-TZMCWYRMSA-N 1 2 251.370 2.500 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)CCC1CCCC1)C(=O)OC ZINC000839168274 644177570 /nfs/dbraw/zinc/17/75/70/644177570.db2.gz JFGIKEAIBIPFCY-JSGCOSHPSA-N 1 2 251.370 2.500 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCCC)C(=O)OC ZINC000839168283 644177612 /nfs/dbraw/zinc/17/76/12/644177612.db2.gz JGLSKYDFVGJBIN-MJBXVCDLSA-N 1 2 251.370 2.500 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(=O)OC ZINC000839170160 644179383 /nfs/dbraw/zinc/17/93/83/644179383.db2.gz YLRULHVKWNFSTD-XHSDSOJGSA-N 1 2 271.360 2.477 20 30 CEEDLO C#CC[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OC ZINC000839170072 644179675 /nfs/dbraw/zinc/17/96/75/644179675.db2.gz VYFIKLQKLXVSIG-ZYHUDNBSSA-N 1 2 273.323 2.355 20 30 CEEDLO N#C[C@@H]1CCC[C@H](OC(=O)CCCn2cc[nH+]c2)C1 ZINC000839445774 644233075 /nfs/dbraw/zinc/23/30/75/644233075.db2.gz UAJYGNUACJERQB-OLZOCXBDSA-N 1 2 261.325 2.289 20 30 CEEDLO C#CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000754023615 644312962 /nfs/dbraw/zinc/31/29/62/644312962.db2.gz GLOOLTPWJFEKRD-ZDUSSCGKSA-N 1 2 294.757 2.193 20 30 CEEDLO C#CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000754023615 644312965 /nfs/dbraw/zinc/31/29/65/644312965.db2.gz GLOOLTPWJFEKRD-ZDUSSCGKSA-N 1 2 294.757 2.193 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000754350486 644359879 /nfs/dbraw/zinc/35/98/79/644359879.db2.gz UQFBUDQDQSZUJH-UHFFFAOYSA-N 1 2 292.404 2.228 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000754350486 644359877 /nfs/dbraw/zinc/35/98/77/644359877.db2.gz UQFBUDQDQSZUJH-UHFFFAOYSA-N 1 2 292.404 2.228 20 30 CEEDLO C=CCc1cc(OC)cc(C[N@H+](C)Cc2cc[nH]n2)c1O ZINC000754726584 644421342 /nfs/dbraw/zinc/42/13/42/644421342.db2.gz SSKXKPLKUXXRKO-UHFFFAOYSA-N 1 2 287.363 2.484 20 30 CEEDLO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2cc[nH]n2)c1O ZINC000754726584 644421344 /nfs/dbraw/zinc/42/13/44/644421344.db2.gz SSKXKPLKUXXRKO-UHFFFAOYSA-N 1 2 287.363 2.484 20 30 CEEDLO C#CCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755317940 644503722 /nfs/dbraw/zinc/50/37/22/644503722.db2.gz WOSYPSJLAIBONQ-UHFFFAOYSA-N 1 2 294.358 2.150 20 30 CEEDLO Cn1c[nH+]cc1CN=Nc1ncnc2sc3c(c21)CCC3 ZINC000755521032 644526807 /nfs/dbraw/zinc/52/68/07/644526807.db2.gz LRFWBEMBZXJBEB-UHFFFAOYSA-N 1 2 298.375 2.360 20 30 CEEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nccn1C ZINC000755698294 644546597 /nfs/dbraw/zinc/54/65/97/644546597.db2.gz CDWABENIYRREQK-UHFFFAOYSA-N 1 2 265.320 2.226 20 30 CEEDLO C(=[NH+]O[C@@H]1CCCCO1)c1ccc(N2CCOCC2)s1 ZINC000755824603 644568638 /nfs/dbraw/zinc/56/86/38/644568638.db2.gz WRPCCWLQMJDCOG-CQSZACIVSA-N 1 2 296.392 2.462 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cc(-c2ccco2)on1)[C@H]1CCCO1 ZINC000839563608 644749790 /nfs/dbraw/zinc/74/97/90/644749790.db2.gz JYCRCEDJHOLMAD-CHWSQXEVSA-N 1 2 272.304 2.205 20 30 CEEDLO C#CCCCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000757839771 644849643 /nfs/dbraw/zinc/84/96/43/644849643.db2.gz PMKKGVPTYKVWEZ-KGLIPLIRSA-N 1 2 250.386 2.169 20 30 CEEDLO C#CCCCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000757839771 644849645 /nfs/dbraw/zinc/84/96/45/644849645.db2.gz PMKKGVPTYKVWEZ-KGLIPLIRSA-N 1 2 250.386 2.169 20 30 CEEDLO C#CCC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000857944863 645017324 /nfs/dbraw/zinc/01/73/24/645017324.db2.gz BFBBRJFIOFDPGC-AWEZNQCLSA-N 1 2 285.391 2.288 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2ccn(C)n2)c1 ZINC000761016256 645223326 /nfs/dbraw/zinc/22/33/26/645223326.db2.gz WZJFPQYJGOYETL-LFIBNONCSA-N 1 2 273.336 2.186 20 30 CEEDLO C#CCCN(CCOC)c1nc2ccccc2n2c[nH+]cc12 ZINC000858634820 645227204 /nfs/dbraw/zinc/22/72/04/645227204.db2.gz KCHFDQVDANFAHD-UHFFFAOYSA-N 1 2 294.358 2.359 20 30 CEEDLO CC(C)(C(=O)N1CC(n2cc[nH+]c2)C1)c1ccc(C#N)cc1 ZINC000859392201 645475773 /nfs/dbraw/zinc/47/57/73/645475773.db2.gz UDIXNKPWMBMGSS-UHFFFAOYSA-N 1 2 294.358 2.116 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859442713 645484245 /nfs/dbraw/zinc/48/42/45/645484245.db2.gz QJSAHBVJYOKURN-GFCCVEGCSA-N 1 2 288.395 2.061 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859442713 645484250 /nfs/dbraw/zinc/48/42/50/645484250.db2.gz QJSAHBVJYOKURN-GFCCVEGCSA-N 1 2 288.395 2.061 20 30 CEEDLO CC(=[NH+]NCCc1ccccc1F)c1csc(N)n1 ZINC000764724750 645680662 /nfs/dbraw/zinc/68/06/62/645680662.db2.gz ZYOHVONHLQNDPA-UHFFFAOYSA-N 1 2 278.356 2.421 20 30 CEEDLO Cc1cc(C[NH2+][C@H](C)c2nnnn2C2CC2)ccc1C#N ZINC000767713372 646032516 /nfs/dbraw/zinc/03/25/16/646032516.db2.gz WQSOBCZJVSQEQL-LLVKDONJSA-N 1 2 282.351 2.039 20 30 CEEDLO CCC(C#N)(CC)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000861349036 646139765 /nfs/dbraw/zinc/13/97/65/646139765.db2.gz QQTNDDRNSVVFHR-ZDUSSCGKSA-N 1 2 288.395 2.456 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000769978270 646343123 /nfs/dbraw/zinc/34/31/23/646343123.db2.gz VAORUWBFWTULLP-SECBINFHSA-N 1 2 276.771 2.384 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000769978270 646343126 /nfs/dbraw/zinc/34/31/26/646343126.db2.gz VAORUWBFWTULLP-SECBINFHSA-N 1 2 276.771 2.384 20 30 CEEDLO N#CCCN(CC(F)(F)F)C(=O)c1cccc2[nH+]ccn21 ZINC000771808108 646553286 /nfs/dbraw/zinc/55/32/86/646553286.db2.gz RJUGELRLQZLLDH-UHFFFAOYSA-N 1 2 296.252 2.252 20 30 CEEDLO C#CCCN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000776593888 647076711 /nfs/dbraw/zinc/07/67/11/647076711.db2.gz PFNDUEJQGCWLLD-UHFFFAOYSA-N 1 2 262.319 2.360 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776868635 647095300 /nfs/dbraw/zinc/09/53/00/647095300.db2.gz CDPNGYIVBFUWLG-UHFFFAOYSA-N 1 2 292.298 2.467 20 30 CEEDLO CCc1nn(C)cc1CNc1[nH]c2ccc(C#N)cc2[nH+]1 ZINC000865296054 647235472 /nfs/dbraw/zinc/23/54/72/647235472.db2.gz OUJXHTMRWPIHPB-UHFFFAOYSA-N 1 2 280.335 2.343 20 30 CEEDLO Cc1ccc(-c2ncc(C=NNC3=[NH+]C[C@@H](C)N3)s2)cc1 ZINC000779799415 647356341 /nfs/dbraw/zinc/35/63/41/647356341.db2.gz SSVJMBZOZMAWHT-LLVKDONJSA-N 1 2 299.403 2.390 20 30 CEEDLO CC(=NNc1cc[nH+]cc1)c1cc(F)cc(F)c1O ZINC000779809055 647358468 /nfs/dbraw/zinc/35/84/68/647358468.db2.gz DKZOOLJBRLJCIY-UHFFFAOYSA-N 1 2 263.247 2.323 20 30 CEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000780170411 647395213 /nfs/dbraw/zinc/39/52/13/647395213.db2.gz UDIAPUSNUWQKNW-LBPRGKRZSA-N 1 2 284.319 2.203 20 30 CEEDLO CCOCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949755 647664575 /nfs/dbraw/zinc/66/45/75/647664575.db2.gz YTLMDQBCHVMUBZ-UHFFFAOYSA-N 1 2 287.157 2.123 20 30 CEEDLO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866238527 647687181 /nfs/dbraw/zinc/68/71/81/647687181.db2.gz PJJABSBSZZZSQA-RYUDHWBXSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C#N)c1O ZINC000866240541 647688346 /nfs/dbraw/zinc/68/83/46/647688346.db2.gz IJPZHHSPVGTXPZ-AAEUAGOBSA-N 1 2 259.353 2.009 20 30 CEEDLO C[C@H]([NH2+]CC1CCOCC1)c1cccc(C#N)c1O ZINC000866250591 647694757 /nfs/dbraw/zinc/69/47/57/647694757.db2.gz BAXZGNAOPMBYKD-NSHDSACASA-N 1 2 260.337 2.341 20 30 CEEDLO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866271499 647709960 /nfs/dbraw/zinc/70/99/60/647709960.db2.gz MHLVYYVPROQJJX-CMPLNLGQSA-N 1 2 280.393 2.028 20 30 CEEDLO COC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCOCC1 ZINC000866309561 647729939 /nfs/dbraw/zinc/72/99/39/647729939.db2.gz QDCWOFSBAKUBNG-LBPRGKRZSA-N 1 2 290.363 2.110 20 30 CEEDLO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866356187 647753173 /nfs/dbraw/zinc/75/31/73/647753173.db2.gz JXQFXXAWZSOHQE-DGCLKSJQSA-N 1 2 262.353 2.179 20 30 CEEDLO C[C@@H]([NH2+]CC1=CCCOC1)c1cccc(C#N)c1O ZINC000866355822 647753189 /nfs/dbraw/zinc/75/31/89/647753189.db2.gz FBNUJSNKHGYCIK-LLVKDONJSA-N 1 2 258.321 2.261 20 30 CEEDLO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(C#N)c1O ZINC000866356926 647753485 /nfs/dbraw/zinc/75/34/85/647753485.db2.gz PGGZKLDBXJHGNM-WFASDCNBSA-N 1 2 297.358 2.086 20 30 CEEDLO CO[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866362926 647755969 /nfs/dbraw/zinc/75/59/69/647755969.db2.gz IQHMDYSFJKMAFG-YGRLFVJLSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C#N)c1O ZINC000866369720 647760314 /nfs/dbraw/zinc/76/03/14/647760314.db2.gz NDSYXRQLMGMXIY-SCDSUCTJSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(C#N)c1O ZINC000866371354 647761361 /nfs/dbraw/zinc/76/13/61/647761361.db2.gz KCNCXMFFNABEGW-ZWNOBZJWSA-N 1 2 260.337 2.339 20 30 CEEDLO C=CCC[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866370140 647761528 /nfs/dbraw/zinc/76/15/28/647761528.db2.gz RRJBOEDGXRSQBN-DGCLKSJQSA-N 1 2 260.337 2.242 20 30 CEEDLO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(C#N)c1O ZINC000866389401 647769117 /nfs/dbraw/zinc/76/91/17/647769117.db2.gz GKOHUZVEOCRXRN-DGCLKSJQSA-N 1 2 274.364 2.323 20 30 CEEDLO c1cn(-c2csc(CN=Nc3cccnn3)c2)c[nH+]1 ZINC000783846128 647770800 /nfs/dbraw/zinc/77/08/00/647770800.db2.gz MWAOMFBTLXFIJG-UHFFFAOYSA-N 1 2 270.321 2.170 20 30 CEEDLO C=CC[C@H]1N(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCCC1(C)C ZINC000867840124 647975863 /nfs/dbraw/zinc/97/58/63/647975863.db2.gz QVIVUHOVAPKTDG-CHWSQXEVSA-N 1 2 277.368 2.036 20 30 CEEDLO NC(=[NH+]OCCOCC(F)F)c1ccc(Cl)cc1 ZINC000786737561 648040635 /nfs/dbraw/zinc/04/06/35/648040635.db2.gz CNFITQJOJCJTPA-UHFFFAOYSA-N 1 2 278.686 2.259 20 30 CEEDLO C(=NNCCc1ccncc1)c1cc(-n2cc[nH+]c2)cs1 ZINC000789097998 648258346 /nfs/dbraw/zinc/25/83/46/648258346.db2.gz ZANYJICIZNZNRS-UHFFFAOYSA-N 1 2 297.387 2.495 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cccc2c1OCCCO2 ZINC000790306280 648405704 /nfs/dbraw/zinc/40/57/04/648405704.db2.gz VWMWZWCQUFWXFZ-UHFFFAOYSA-N 1 2 272.308 2.027 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792258365 648631571 /nfs/dbraw/zinc/63/15/71/648631571.db2.gz FAMJTSPIVHAFMY-AAEUAGOBSA-N 1 2 262.353 2.096 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792258365 648631573 /nfs/dbraw/zinc/63/15/73/648631573.db2.gz FAMJTSPIVHAFMY-AAEUAGOBSA-N 1 2 262.353 2.096 20 30 CEEDLO CC[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794619014 648894488 /nfs/dbraw/zinc/89/44/88/648894488.db2.gz DPZLTBNUXMQVJX-NSHDSACASA-N 1 2 279.413 2.097 20 30 CEEDLO CC[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794619014 648894491 /nfs/dbraw/zinc/89/44/91/648894491.db2.gz DPZLTBNUXMQVJX-NSHDSACASA-N 1 2 279.413 2.097 20 30 CEEDLO CC[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794631438 648895921 /nfs/dbraw/zinc/89/59/21/648895921.db2.gz DHEBKJIUXYMAAE-LBPRGKRZSA-N 1 2 293.440 2.487 20 30 CEEDLO CC[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794631438 648895922 /nfs/dbraw/zinc/89/59/22/648895922.db2.gz DHEBKJIUXYMAAE-LBPRGKRZSA-N 1 2 293.440 2.487 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1O ZINC000870811031 648927373 /nfs/dbraw/zinc/92/73/73/648927373.db2.gz BVOHXFBZFBBJPZ-AWEZNQCLSA-N 1 2 272.348 2.045 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1O ZINC000870811031 648927375 /nfs/dbraw/zinc/92/73/75/648927375.db2.gz BVOHXFBZFBBJPZ-AWEZNQCLSA-N 1 2 272.348 2.045 20 30 CEEDLO COc1c(C)c[nH+]c(CN=Nc2cc(C)ncn2)c1C ZINC000872351384 649362677 /nfs/dbraw/zinc/36/26/77/649362677.db2.gz DUMZTBJBYZCBHY-UHFFFAOYSA-N 1 2 271.324 2.251 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000878645704 651150748 /nfs/dbraw/zinc/15/07/48/651150748.db2.gz PSBYQPRFPZXRGS-OCCSQVGLSA-N 1 2 275.348 2.387 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000878645704 651150746 /nfs/dbraw/zinc/15/07/46/651150746.db2.gz PSBYQPRFPZXRGS-OCCSQVGLSA-N 1 2 275.348 2.387 20 30 CEEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737639 651344864 /nfs/dbraw/zinc/34/48/64/651344864.db2.gz IHOMHKZICOOMTF-MRXNPFEDSA-N 1 2 259.349 2.482 20 30 CEEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737639 651344865 /nfs/dbraw/zinc/34/48/65/651344865.db2.gz IHOMHKZICOOMTF-MRXNPFEDSA-N 1 2 259.349 2.482 20 30 CEEDLO C#CCC1(O)CC[NH+]([C@H](C)c2nc(CCCC)no2)CC1 ZINC000880479242 651447935 /nfs/dbraw/zinc/44/79/35/651447935.db2.gz QXJVGUAROVPKAL-CYBMUJFWSA-N 1 2 291.395 2.323 20 30 CEEDLO NC(=[NH+]OCc1cnc(C2CC2)o1)c1ccc2c(c1)CCO2 ZINC000882986273 652305995 /nfs/dbraw/zinc/30/59/95/652305995.db2.gz OOXOJPYYMSXZJZ-UHFFFAOYSA-N 1 2 299.330 2.324 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](Nc2cc(C(C)=O)ccc2C#N)C1 ZINC000884612729 652943962 /nfs/dbraw/zinc/94/39/62/652943962.db2.gz SEPRHEAMUAQNEG-INIZCTEOSA-N 1 2 281.359 2.270 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](Nc2cc(C(C)=O)ccc2C#N)C1 ZINC000884612729 652943963 /nfs/dbraw/zinc/94/39/63/652943963.db2.gz SEPRHEAMUAQNEG-INIZCTEOSA-N 1 2 281.359 2.270 20 30 CEEDLO C=CC[NH+]1CCN([C@@H](F)Oc2cccc(Cl)n2)CC1 ZINC001165031338 721866956 /nfs/dbraw/zinc/86/69/56/721866956.db2.gz DVXBVTIUVBAWPF-CYBMUJFWSA-N 1 2 285.750 2.171 20 30 CEEDLO C#CCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001205012705 805928278 /nfs/dbraw/zinc/92/82/78/805928278.db2.gz UCKZHQBBTGVFAI-SNVBAGLBSA-N 1 2 270.785 2.411 20 30 CEEDLO C#CCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001205012705 805928283 /nfs/dbraw/zinc/92/82/83/805928283.db2.gz UCKZHQBBTGVFAI-SNVBAGLBSA-N 1 2 270.785 2.411 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H]1C ZINC001088489272 806301623 /nfs/dbraw/zinc/30/16/23/806301623.db2.gz PIKKEMRFBSFVSK-PWSUYJOCSA-N 1 2 297.761 2.166 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H]1C ZINC001088489272 806301633 /nfs/dbraw/zinc/30/16/33/806301633.db2.gz PIKKEMRFBSFVSK-PWSUYJOCSA-N 1 2 297.761 2.166 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC001088521011 806346078 /nfs/dbraw/zinc/34/60/78/806346078.db2.gz SHHHRPVTKCLZEF-YPMHNXCESA-N 1 2 268.788 2.428 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC001088521011 806346084 /nfs/dbraw/zinc/34/60/84/806346084.db2.gz SHHHRPVTKCLZEF-YPMHNXCESA-N 1 2 268.788 2.428 20 30 CEEDLO C=CC[C@@](C)([NH2+][C@H]1Cc2ccc(OC)cc2C1)C(=O)OC ZINC001168261006 806452233 /nfs/dbraw/zinc/45/22/33/806452233.db2.gz QQGDOBNOIWMZEW-WMLDXEAASA-N 1 2 289.375 2.260 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001038486894 806706657 /nfs/dbraw/zinc/70/66/57/806706657.db2.gz WSPJRJIZBKTDPJ-GFCCVEGCSA-N 1 2 294.757 2.307 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001038486894 806706662 /nfs/dbraw/zinc/70/66/62/806706662.db2.gz WSPJRJIZBKTDPJ-GFCCVEGCSA-N 1 2 294.757 2.307 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001105694448 806917575 /nfs/dbraw/zinc/91/75/75/806917575.db2.gz SBZZIYBJLNXJLW-NSIKDUERSA-N 1 2 292.423 2.221 20 30 CEEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1nocc1C ZINC001282450685 802443181 /nfs/dbraw/zinc/44/31/81/802443181.db2.gz VZJLAWTVLMZISI-CYBMUJFWSA-N 1 2 279.384 2.276 20 30 CEEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1nocc1C ZINC001282450685 802443183 /nfs/dbraw/zinc/44/31/83/802443183.db2.gz VZJLAWTVLMZISI-CYBMUJFWSA-N 1 2 279.384 2.276 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001266333373 802450516 /nfs/dbraw/zinc/45/05/16/802450516.db2.gz LSVCHYNDKCFGKH-LBPRGKRZSA-N 1 2 293.436 2.354 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001266333373 802450517 /nfs/dbraw/zinc/45/05/17/802450517.db2.gz LSVCHYNDKCFGKH-LBPRGKRZSA-N 1 2 293.436 2.354 20 30 CEEDLO N#Cc1cncc(C[N@@H+]2CCn3nc(C4CC4)cc3C2)c1 ZINC000932601495 802611180 /nfs/dbraw/zinc/61/11/80/802611180.db2.gz SWWTZMWFLNZDLS-UHFFFAOYSA-N 1 2 279.347 2.043 20 30 CEEDLO N#Cc1cncc(C[N@H+]2CCn3nc(C4CC4)cc3C2)c1 ZINC000932601495 802611182 /nfs/dbraw/zinc/61/11/82/802611182.db2.gz SWWTZMWFLNZDLS-UHFFFAOYSA-N 1 2 279.347 2.043 20 30 CEEDLO Cn1cc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1C#N ZINC001207102927 802773731 /nfs/dbraw/zinc/77/37/31/802773731.db2.gz JNUFKEOLLNYIDB-GFCCVEGCSA-N 1 2 271.286 2.466 20 30 CEEDLO Cn1cc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1C#N ZINC001207102927 802773734 /nfs/dbraw/zinc/77/37/34/802773734.db2.gz JNUFKEOLLNYIDB-GFCCVEGCSA-N 1 2 271.286 2.466 20 30 CEEDLO C=CCCC(=O)NC[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001266926035 803002617 /nfs/dbraw/zinc/00/26/17/803002617.db2.gz VROFMIIOGOTWKH-NSHDSACASA-N 1 2 277.368 2.113 20 30 CEEDLO CCC#C[C@@H](C)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001167525454 803097410 /nfs/dbraw/zinc/09/74/10/803097410.db2.gz FPDPWLSLOKAWJF-NEPJUHHUSA-N 1 2 262.319 2.357 20 30 CEEDLO COc1ccc(NCc2cc[nH+]c(N)c2)c(CC#N)c1 ZINC001167617241 803204129 /nfs/dbraw/zinc/20/41/29/803204129.db2.gz XMRCEBFAQDGMKB-UHFFFAOYSA-N 1 2 268.320 2.351 20 30 CEEDLO N#Cc1ccnc(NCc2cc[nH+]c(N)c2)c1Cl ZINC001167616587 803204247 /nfs/dbraw/zinc/20/42/47/803204247.db2.gz BVJGEDMWFIQXEK-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO C=CCn1cnn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC001115860978 814759746 /nfs/dbraw/zinc/75/97/46/814759746.db2.gz KMWHWFYFHFHROA-GFCCVEGCSA-N 1 2 294.424 2.058 20 30 CEEDLO C=CCn1cnn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC001115860978 814759751 /nfs/dbraw/zinc/75/97/51/814759751.db2.gz KMWHWFYFHFHROA-GFCCVEGCSA-N 1 2 294.424 2.058 20 30 CEEDLO N#CCc1cc[nH+]c(N[C@H]2CCCc3nccnc32)c1 ZINC001161410184 803439777 /nfs/dbraw/zinc/43/97/77/803439777.db2.gz YYHXKPXLBVTWCR-ZDUSSCGKSA-N 1 2 265.320 2.427 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c2ccccc2c1 ZINC001038335574 803643097 /nfs/dbraw/zinc/64/30/97/803643097.db2.gz WVTICWJLPOWEMV-OAHLLOKOSA-N 1 2 296.345 2.416 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c2ccccc2c1 ZINC001038335574 803643101 /nfs/dbraw/zinc/64/31/01/803643101.db2.gz WVTICWJLPOWEMV-OAHLLOKOSA-N 1 2 296.345 2.416 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)C(C)C ZINC001267713652 803670933 /nfs/dbraw/zinc/67/09/33/803670933.db2.gz RTRKEFXDXCNWCU-HRCADAONSA-N 1 2 276.424 2.367 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)C(C)C ZINC001267713652 803670938 /nfs/dbraw/zinc/67/09/38/803670938.db2.gz RTRKEFXDXCNWCU-HRCADAONSA-N 1 2 276.424 2.367 20 30 CEEDLO C=CCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001267781986 803731131 /nfs/dbraw/zinc/73/11/31/803731131.db2.gz PNXXNHQRONEEKV-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001267781986 803731135 /nfs/dbraw/zinc/73/11/35/803731135.db2.gz PNXXNHQRONEEKV-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027419087 804068658 /nfs/dbraw/zinc/06/86/58/804068658.db2.gz 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811243642 /nfs/dbraw/zinc/24/36/42/811243642.db2.gz NJTMONDWBYXKIX-INIZCTEOSA-N 1 2 282.428 2.350 20 30 CEEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCCC#N)C(=O)OCC ZINC001172485377 815435800 /nfs/dbraw/zinc/43/58/00/815435800.db2.gz PFRWJVCUBGTSOQ-YRGRVCCFSA-N 1 2 250.342 2.166 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3scnc32)C1 ZINC001042715249 811322851 /nfs/dbraw/zinc/32/28/51/811322851.db2.gz RXSHPCIRDZCVOD-UHFFFAOYSA-N 1 2 287.388 2.239 20 30 CEEDLO CC(C)OCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172444936 815439402 /nfs/dbraw/zinc/43/94/02/815439402.db2.gz APHDJFSOYHAJLL-DGCLKSJQSA-N 1 2 269.410 2.464 20 30 CEEDLO CC(C)OCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172444936 815439404 /nfs/dbraw/zinc/43/94/04/815439404.db2.gz APHDJFSOYHAJLL-DGCLKSJQSA-N 1 2 269.410 2.464 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]23CCO[C@H]2CCCC3)C1 ZINC001043314263 811364367 /nfs/dbraw/zinc/36/43/67/811364367.db2.gz LPXPIRKDMDMCQL-RDJZCZTQSA-N 1 2 292.423 2.054 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccc3ccccc32)C1 ZINC001043677468 811394587 /nfs/dbraw/zinc/39/45/87/811394587.db2.gz BKTNKXHRLLHAGA-UHFFFAOYSA-N 1 2 293.370 2.014 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001043689133 811397851 /nfs/dbraw/zinc/39/78/51/811397851.db2.gz VWCBOZQFZHCVNI-UHFFFAOYSA-N 1 2 298.308 2.436 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2c(F)cccc2F)C1 ZINC001043679751 811397911 /nfs/dbraw/zinc/39/79/11/811397911.db2.gz QACAFYUUIVPBDC-UHFFFAOYSA-N 1 2 294.345 2.226 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H](CCC)C2)C1 ZINC001044104315 811438015 /nfs/dbraw/zinc/43/80/15/811438015.db2.gz OIHWAPURGZJRPI-HOCLYGCPSA-N 1 2 294.439 2.300 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001044261826 811463181 /nfs/dbraw/zinc/46/31/81/811463181.db2.gz XZVRSDKEHVXBOL-UHFFFAOYSA-N 1 2 282.343 2.212 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001044261656 811463386 /nfs/dbraw/zinc/46/33/86/811463386.db2.gz PBEVMJUTZVAZGA-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/82/98/31/811829831.db2.gz RCUKRYVSGYJWBR-UAVDZPIXSA-N 1 2 268.788 2.427 20 30 CEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096222988 811884597 /nfs/dbraw/zinc/88/45/97/811884597.db2.gz CQKOVMLKTSVDBX-CYBMUJFWSA-N 1 2 288.395 2.082 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109769638 811943796 /nfs/dbraw/zinc/94/37/96/811943796.db2.gz MLBLSUKTDSFRDO-AGIUHOORSA-N 1 2 268.376 2.280 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109769638 811943800 /nfs/dbraw/zinc/94/38/00/811943800.db2.gz MLBLSUKTDSFRDO-AGIUHOORSA-N 1 2 268.376 2.280 20 30 CEEDLO CCCCCCC[NH+]1CCN(C(=O)c2cnns2)CC1 ZINC001112649827 812031093 /nfs/dbraw/zinc/03/10/93/812031093.db2.gz VCTOKJKGHPOYKC-UHFFFAOYSA-N 1 2 296.440 2.266 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC001112687704 812043487 /nfs/dbraw/zinc/04/34/87/812043487.db2.gz OGKOUWXZWMLBMA-UHFFFAOYSA-N 1 2 264.291 2.049 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001112685654 812043726 /nfs/dbraw/zinc/04/37/26/812043726.db2.gz BOXNXGPXXFOSRF-UHFFFAOYSA-N 1 2 283.375 2.169 20 30 CEEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3C[C@@H](CO)C3)c2c1 ZINC001157457808 812159605 /nfs/dbraw/zinc/15/96/05/812159605.db2.gz KDJSNGNHXVFYQM-BJHJDKERSA-N 1 2 253.305 2.289 20 30 CEEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](C)C1 ZINC001170125368 812175812 /nfs/dbraw/zinc/17/58/12/812175812.db2.gz KZGKCZCGSPPJSF-RCBQFDQVSA-N 1 2 286.375 2.421 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113190778 812179338 /nfs/dbraw/zinc/17/93/38/812179338.db2.gz UGOXICKDWAZKHI-UHFFFAOYSA-N 1 2 282.428 2.015 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=COCCC1)C2 ZINC001096864941 812293523 /nfs/dbraw/zinc/29/35/23/812293523.db2.gz UDPBVQHFSLZXQU-MCIONIFRSA-N 1 2 296.798 2.155 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=COCCC1)C2 ZINC001096864941 812293527 /nfs/dbraw/zinc/29/35/27/812293527.db2.gz UDPBVQHFSLZXQU-MCIONIFRSA-N 1 2 296.798 2.155 20 30 CEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097069328 812321603 /nfs/dbraw/zinc/32/16/03/812321603.db2.gz UKIJETMAICSAGD-JOCQHMNTSA-N 1 2 288.395 2.446 20 30 CEEDLO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001170353148 812391749 /nfs/dbraw/zinc/39/17/49/812391749.db2.gz WTAURXGLPUFQSL-RYUDHWBXSA-N 1 2 289.335 2.380 20 30 CEEDLO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001170353148 812391759 /nfs/dbraw/zinc/39/17/59/812391759.db2.gz WTAURXGLPUFQSL-RYUDHWBXSA-N 1 2 289.335 2.380 20 30 CEEDLO COC(=O)C1([NH2+][C@H]2CC[C@H](C#N)C2)CCCCC1 ZINC001254637140 812502624 /nfs/dbraw/zinc/50/26/24/812502624.db2.gz PCYAAJCSPQWNFN-RYUDHWBXSA-N 1 2 250.342 2.144 20 30 CEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1=CCCC1 ZINC001054037850 812522543 /nfs/dbraw/zinc/52/25/43/812522543.db2.gz PWIMNOXNNASACR-GOSISDBHSA-N 1 2 294.398 2.273 20 30 CEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1=CCCC1 ZINC001054037850 812522553 /nfs/dbraw/zinc/52/25/53/812522553.db2.gz PWIMNOXNNASACR-GOSISDBHSA-N 1 2 294.398 2.273 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC34CCC4)cc2C1 ZINC001054284545 812559179 /nfs/dbraw/zinc/55/91/79/812559179.db2.gz XADFJDRUBWMZJO-QGZVFWFLSA-N 1 2 294.398 2.442 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC34CCC4)cc2C1 ZINC001054284545 812559185 /nfs/dbraw/zinc/55/91/85/812559185.db2.gz XADFJDRUBWMZJO-QGZVFWFLSA-N 1 2 294.398 2.442 20 30 CEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001131898674 812749010 /nfs/dbraw/zinc/74/90/10/812749010.db2.gz CKMRSEMOKTUUTL-OCCSQVGLSA-N 1 2 291.395 2.418 20 30 CEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001131898674 812749016 /nfs/dbraw/zinc/74/90/16/812749016.db2.gz CKMRSEMOKTUUTL-OCCSQVGLSA-N 1 2 291.395 2.418 20 30 CEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(C)=O)cccc2C1 ZINC001051272409 812887713 /nfs/dbraw/zinc/88/77/13/812887713.db2.gz CPNUPDKGBFWJMM-UHFFFAOYSA-N 1 2 278.783 2.433 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(C)=O)cccc2C1 ZINC001051272409 812887719 /nfs/dbraw/zinc/88/77/19/812887719.db2.gz CPNUPDKGBFWJMM-UHFFFAOYSA-N 1 2 278.783 2.433 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001132660937 812920533 /nfs/dbraw/zinc/92/05/33/812920533.db2.gz XLYBGGCWKLWUSL-STQMWFEESA-N 1 2 279.384 2.352 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001132662893 812920613 /nfs/dbraw/zinc/92/06/13/812920613.db2.gz LNWSDPYQJLFARB-NWDGAFQWSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001132662894 812921128 /nfs/dbraw/zinc/92/11/28/812921128.db2.gz LNWSDPYQJLFARB-RYUDHWBXSA-N 1 2 294.399 2.001 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001255177623 813026982 /nfs/dbraw/zinc/02/69/82/813026982.db2.gz WJMQAPRWGBPIPA-UONOGXRCSA-N 1 2 274.368 2.321 20 30 CEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001255177623 813026989 /nfs/dbraw/zinc/02/69/89/813026989.db2.gz WJMQAPRWGBPIPA-UONOGXRCSA-N 1 2 274.368 2.321 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001133381239 813044106 /nfs/dbraw/zinc/04/41/06/813044106.db2.gz ZJAMXBOPEGMNMO-DOMZBBRYSA-N 1 2 279.384 2.352 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001133382959 813045050 /nfs/dbraw/zinc/04/50/50/813045050.db2.gz DWOWQPRYKWCPAN-IAQYHMDHSA-N 1 2 294.399 2.001 20 30 CEEDLO C[C@@H]1COCC[C@@H]1Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001170822517 813462783 /nfs/dbraw/zinc/46/27/83/813462783.db2.gz JWRUPPXRESEIMR-YPMHNXCESA-N 1 2 257.337 2.474 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2cccc(F)c2C1)C(=O)OC ZINC001170960717 813698033 /nfs/dbraw/zinc/69/80/33/813698033.db2.gz FYFRHVRZYBYRFF-IUODEOHRSA-N 1 2 277.339 2.390 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001074201776 813816284 /nfs/dbraw/zinc/81/62/84/813816284.db2.gz QGFRQXURWZRPHI-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001074201776 813816296 /nfs/dbraw/zinc/81/62/96/813816296.db2.gz QGFRQXURWZRPHI-HOTGVXAUSA-N 1 2 292.423 2.054 20 30 CEEDLO C#CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000754093024 814119167 /nfs/dbraw/zinc/11/91/67/814119167.db2.gz ZJUXKJPIEGRPGD-WMLDXEAASA-N 1 2 299.418 2.082 20 30 CEEDLO C#CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000754093024 814119177 /nfs/dbraw/zinc/11/91/77/814119177.db2.gz ZJUXKJPIEGRPGD-WMLDXEAASA-N 1 2 299.418 2.082 20 30 CEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100691331 814173394 /nfs/dbraw/zinc/17/33/94/814173394.db2.gz NUVOLJCIFAPPHI-QWHCGFSZSA-N 1 2 290.411 2.186 20 30 CEEDLO C=CCCC(=O)N[C@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103491573 814506908 /nfs/dbraw/zinc/50/69/08/814506908.db2.gz PVSCTNDVUXALEH-MRXNPFEDSA-N 1 2 288.395 2.448 20 30 CEEDLO C=C1CC(C)(C(=O)NC[C@@H](C)CNc2cc[nH+]c(C)n2)C1 ZINC001104211330 814580603 /nfs/dbraw/zinc/58/06/03/814580603.db2.gz BZZUDRZLKZGYRC-LBPRGKRZSA-N 1 2 288.395 2.306 20 30 CEEDLO C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)n1cc[nH+]c1 ZINC001116204616 814840052 /nfs/dbraw/zinc/84/00/52/814840052.db2.gz CVVDDESUMKPLIR-WCQYABFASA-N 1 2 260.341 2.033 20 30 CEEDLO C=CCNC(=O)CSCc1[nH+]cc(C)c(OC)c1C ZINC001116493579 814857275 /nfs/dbraw/zinc/85/72/75/814857275.db2.gz VAHRUIQHRUWAMY-UHFFFAOYSA-N 1 2 280.393 2.242 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001095085510 815651687 /nfs/dbraw/zinc/65/16/87/815651687.db2.gz PSINSDQPTZGAIK-AGIUHOORSA-N 1 2 268.788 2.261 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001095085510 815651693 /nfs/dbraw/zinc/65/16/93/815651693.db2.gz PSINSDQPTZGAIK-AGIUHOORSA-N 1 2 268.788 2.261 20 30 CEEDLO COc1ccc(C[NH+]2CC3(C2)CCOCC3)c(C#N)c1 ZINC001137703574 815668608 /nfs/dbraw/zinc/66/86/08/815668608.db2.gz PIZJRRQHLAIEOL-UHFFFAOYSA-N 1 2 272.348 2.179 20 30 CEEDLO C=CCc1cccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC001138629690 815849586 /nfs/dbraw/zinc/84/95/86/815849586.db2.gz FOLISAYJHRXIGI-UHFFFAOYSA-N 1 2 288.391 2.173 20 30 CEEDLO C=CCc1cccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1O ZINC001138629690 815849598 /nfs/dbraw/zinc/84/95/98/815849598.db2.gz FOLISAYJHRXIGI-UHFFFAOYSA-N 1 2 288.391 2.173 20 30 CEEDLO Cc1ccnc(C#N)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174974576 816111659 /nfs/dbraw/zinc/11/16/59/816111659.db2.gz QCPSSPQRQUTBRA-UHFFFAOYSA-N 1 2 295.346 2.237 20 30 CEEDLO C#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cn1 ZINC001174974864 816111706 /nfs/dbraw/zinc/11/17/06/816111706.db2.gz QRRPWKXLUZMODR-UHFFFAOYSA-N 1 2 280.331 2.038 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001139837428 816123377 /nfs/dbraw/zinc/12/33/77/816123377.db2.gz CBPXJGJQZFUAQW-ZDUSSCGKSA-N 1 2 293.342 2.097 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(F)c2)C1 ZINC001139837428 816123382 /nfs/dbraw/zinc/12/33/82/816123382.db2.gz CBPXJGJQZFUAQW-ZDUSSCGKSA-N 1 2 293.342 2.097 20 30 CEEDLO N#Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccn1 ZINC001175709472 816275629 /nfs/dbraw/zinc/27/56/29/816275629.db2.gz DNVGAGGRESNNLU-UHFFFAOYSA-N 1 2 279.225 2.115 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(OC(F)F)c(O)c1 ZINC001140629790 816309831 /nfs/dbraw/zinc/30/98/31/816309831.db2.gz ASEFNVAFUDBMNM-UHFFFAOYSA-N 1 2 265.259 2.062 20 30 CEEDLO C[C@H]1COCC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751006 816342990 /nfs/dbraw/zinc/34/29/90/816342990.db2.gz GLCPLGUQGUQBHD-SNVBAGLBSA-N 1 2 266.291 2.305 20 30 CEEDLO C[C@H]1COCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751006 816342993 /nfs/dbraw/zinc/34/29/93/816342993.db2.gz GLCPLGUQGUQBHD-SNVBAGLBSA-N 1 2 266.291 2.305 20 30 CEEDLO N#C[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176961980 816501359 /nfs/dbraw/zinc/50/13/59/816501359.db2.gz UQJJILWXZVQKHF-LSDHHAIUSA-N 1 2 298.390 2.203 20 30 CEEDLO C=CCN(Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001141269031 816516304 /nfs/dbraw/zinc/51/63/04/816516304.db2.gz PENGYFFGTGSBGF-UHFFFAOYSA-N 1 2 255.321 2.167 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143165162 816795562 /nfs/dbraw/zinc/79/55/62/816795562.db2.gz VZHPSSJXXGLTAL-NOZJJQNGSA-N 1 2 266.291 2.039 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143165162 816795566 /nfs/dbraw/zinc/79/55/66/816795566.db2.gz VZHPSSJXXGLTAL-NOZJJQNGSA-N 1 2 266.291 2.039 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000337400688 214054841 /nfs/dbraw/zinc/05/48/41/214054841.db2.gz LEJQPHSMAUGADQ-CYBMUJFWSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000337400688 214054842 /nfs/dbraw/zinc/05/48/42/214054842.db2.gz LEJQPHSMAUGADQ-CYBMUJFWSA-N 1 2 298.433 2.019 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000121615936 365595415 /nfs/dbraw/zinc/59/54/15/365595415.db2.gz MQZSDNUTBITSAS-OAHLLOKOSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000121615936 365595419 /nfs/dbraw/zinc/59/54/19/365595419.db2.gz MQZSDNUTBITSAS-OAHLLOKOSA-N 1 2 272.348 2.178 20 30 CEEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000124658707 365657485 /nfs/dbraw/zinc/65/74/85/365657485.db2.gz GDUVKDNPNXMTRP-GFCCVEGCSA-N 1 2 291.782 2.459 20 30 CEEDLO C[C@@]1(C#N)CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000601671924 346875165 /nfs/dbraw/zinc/87/51/65/346875165.db2.gz UBUVFTIRUVAPFY-KRWDZBQOSA-N 1 2 294.358 2.177 20 30 CEEDLO COCC#CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000677133012 539189335 /nfs/dbraw/zinc/18/93/35/539189335.db2.gz CGLQIRVCVPQEBE-HOCLYGCPSA-N 1 2 259.349 2.098 20 30 CEEDLO COCC#CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000677133012 539189336 /nfs/dbraw/zinc/18/93/36/539189336.db2.gz CGLQIRVCVPQEBE-HOCLYGCPSA-N 1 2 259.349 2.098 20 30 CEEDLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000357592220 529502426 /nfs/dbraw/zinc/50/24/26/529502426.db2.gz JOCJSEBOJDGBKY-GFCCVEGCSA-N 1 2 295.342 2.344 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCc2cccnc21 ZINC000329400639 539238634 /nfs/dbraw/zinc/23/86/34/539238634.db2.gz VWMJZXAMODPDIU-LLVKDONJSA-N 1 2 256.309 2.002 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412376457 529577290 /nfs/dbraw/zinc/57/72/90/529577290.db2.gz ABUQRTUYQDRAIZ-LSDHHAIUSA-N 1 2 294.358 2.195 20 30 CEEDLO O=C(NCC1CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000329862948 539258032 /nfs/dbraw/zinc/25/80/32/539258032.db2.gz YUQIJBXLYWSJRR-UHFFFAOYSA-N 1 2 262.357 2.193 20 30 CEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccno2)CC1 ZINC000080906678 344027527 /nfs/dbraw/zinc/02/75/27/344027527.db2.gz FQTBDQWBRMQKNR-MRXNPFEDSA-N 1 2 282.347 2.057 20 30 CEEDLO CC(C)[N@H+](CCC#N)CC(=O)N1CCCCCC1 ZINC000042530760 362102680 /nfs/dbraw/zinc/10/26/80/362102680.db2.gz MTJGSDSPDFXEFV-UHFFFAOYSA-N 1 2 251.374 2.013 20 30 CEEDLO CC(C)[N@@H+](CCC#N)CC(=O)N1CCCCCC1 ZINC000042530760 362102687 /nfs/dbraw/zinc/10/26/87/362102687.db2.gz MTJGSDSPDFXEFV-UHFFFAOYSA-N 1 2 251.374 2.013 20 30 CEEDLO C=CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000045857621 362169849 /nfs/dbraw/zinc/16/98/49/362169849.db2.gz DXFBHBFMRPXECH-ZDUSSCGKSA-N 1 2 288.326 2.134 20 30 CEEDLO N#CCc1cccc(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000045015461 343479750 /nfs/dbraw/zinc/47/97/50/343479750.db2.gz NASXGPIRZHXFKP-UHFFFAOYSA-N 1 2 290.326 2.330 20 30 CEEDLO CN(C)c1ccc(CNC(=O)Nc2ccc(C#N)cc2)c[nH+]1 ZINC000046884334 343506024 /nfs/dbraw/zinc/50/60/24/343506024.db2.gz MTSDYUMPQKSRRA-UHFFFAOYSA-N 1 2 295.346 2.341 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127819254 365764224 /nfs/dbraw/zinc/76/42/24/365764224.db2.gz BPTRNEDVYUODIP-UHFFFAOYSA-N 1 2 274.339 2.217 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127819254 365764234 /nfs/dbraw/zinc/76/42/34/365764234.db2.gz BPTRNEDVYUODIP-UHFFFAOYSA-N 1 2 274.339 2.217 20 30 CEEDLO N#Cc1cccc(NC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000056357471 343615806 /nfs/dbraw/zinc/61/58/06/343615806.db2.gz UOMBSYPJTZOAFO-UHFFFAOYSA-N 1 2 283.335 2.357 20 30 CEEDLO CCc1nnc(NCc2[nH+]ccn2CC)c(C#N)c1CC ZINC000295049128 199318766 /nfs/dbraw/zinc/31/87/66/199318766.db2.gz UIQWBNLQHKCGDM-UHFFFAOYSA-N 1 2 284.367 2.302 20 30 CEEDLO C#CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580326 343679100 /nfs/dbraw/zinc/67/91/00/343679100.db2.gz SHMSKZIJYPCIRR-CYBMUJFWSA-N 1 2 280.165 2.456 20 30 CEEDLO C#CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580326 343679103 /nfs/dbraw/zinc/67/91/03/343679103.db2.gz SHMSKZIJYPCIRR-CYBMUJFWSA-N 1 2 280.165 2.456 20 30 CEEDLO CC(C)N(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602089206 346971342 /nfs/dbraw/zinc/97/13/42/346971342.db2.gz SNDCSXLZVHLTLX-UHFFFAOYSA-N 1 2 298.346 2.342 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000602156349 346983691 /nfs/dbraw/zinc/98/36/91/346983691.db2.gz SHRKMNGFLMKEOB-KFWWJZLASA-N 1 2 294.358 2.457 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000602156349 346983695 /nfs/dbraw/zinc/98/36/95/346983695.db2.gz SHRKMNGFLMKEOB-KFWWJZLASA-N 1 2 294.358 2.457 20 30 CEEDLO Cc1cn2ccc(C(=O)NCC3(C#N)CCCC3)cc2[nH+]1 ZINC000602173842 346988518 /nfs/dbraw/zinc/98/85/18/346988518.db2.gz ZPRBQBDNEFPQSV-UHFFFAOYSA-N 1 2 282.347 2.457 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC000076152998 343883166 /nfs/dbraw/zinc/88/31/66/343883166.db2.gz QJVPYKMYFBMWCC-IAGOWNOFSA-N 1 2 297.402 2.381 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000076152998 343883169 /nfs/dbraw/zinc/88/31/69/343883169.db2.gz QJVPYKMYFBMWCC-IAGOWNOFSA-N 1 2 297.402 2.381 20 30 CEEDLO CCN(C(=O)Cn1cc[nH+]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000075682129 343862581 /nfs/dbraw/zinc/86/25/81/343862581.db2.gz BKPVDZMQKCYWCX-CYBMUJFWSA-N 1 2 282.347 2.364 20 30 CEEDLO C=CCOCCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273931172 192368020 /nfs/dbraw/zinc/36/80/20/192368020.db2.gz MAEAHFQFPWOQFT-UHFFFAOYSA-N 1 2 273.336 2.499 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)o1 ZINC000128179836 187355880 /nfs/dbraw/zinc/35/58/80/187355880.db2.gz NGRAVYZOXVDYII-OAHLLOKOSA-N 1 2 299.330 2.025 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)o1 ZINC000128179836 187355881 /nfs/dbraw/zinc/35/58/81/187355881.db2.gz NGRAVYZOXVDYII-OAHLLOKOSA-N 1 2 299.330 2.025 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000048571300 362286843 /nfs/dbraw/zinc/28/68/43/362286843.db2.gz MYPMJZJPRLKBMU-SNVBAGLBSA-N 1 2 276.174 2.170 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000048571300 362286845 /nfs/dbraw/zinc/28/68/45/362286845.db2.gz MYPMJZJPRLKBMU-SNVBAGLBSA-N 1 2 276.174 2.170 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000085440259 344095390 /nfs/dbraw/zinc/09/53/90/344095390.db2.gz SKIAXGSIPUDBBU-AWEZNQCLSA-N 1 2 284.363 2.399 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC000116798385 344287412 /nfs/dbraw/zinc/28/74/12/344287412.db2.gz FMPPKPNGYNPPFJ-HIFRSBDPSA-N 1 2 274.368 2.252 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CCCCS(C)(=O)=O ZINC000163723681 344471054 /nfs/dbraw/zinc/47/10/54/344471054.db2.gz YRGIYERUVJCQQS-UHFFFAOYSA-N 1 2 274.430 2.073 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CCCCS(C)(=O)=O ZINC000163723681 344471056 /nfs/dbraw/zinc/47/10/56/344471056.db2.gz YRGIYERUVJCQQS-UHFFFAOYSA-N 1 2 274.430 2.073 20 30 CEEDLO COC(=O)c1[nH]c(C[N@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000602484287 347054957 /nfs/dbraw/zinc/05/49/57/347054957.db2.gz NYPXYEPCTWBCFZ-SNVBAGLBSA-N 1 2 275.352 2.234 20 30 CEEDLO COC(=O)c1[nH]c(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000602484287 347054962 /nfs/dbraw/zinc/05/49/62/347054962.db2.gz NYPXYEPCTWBCFZ-SNVBAGLBSA-N 1 2 275.352 2.234 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000293003060 344690132 /nfs/dbraw/zinc/69/01/32/344690132.db2.gz CYWBOSZOCYXQPS-LLVKDONJSA-N 1 2 255.321 2.089 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000293003060 344690135 /nfs/dbraw/zinc/69/01/35/344690135.db2.gz CYWBOSZOCYXQPS-LLVKDONJSA-N 1 2 255.321 2.089 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000293009825 344690209 /nfs/dbraw/zinc/69/02/09/344690209.db2.gz DMXWFGMQQNTWLY-LBPRGKRZSA-N 1 2 262.328 2.416 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000293009825 344690211 /nfs/dbraw/zinc/69/02/11/344690211.db2.gz DMXWFGMQQNTWLY-LBPRGKRZSA-N 1 2 262.328 2.416 20 30 CEEDLO CC#CCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000542672584 344933983 /nfs/dbraw/zinc/93/39/83/344933983.db2.gz UATDWSLPVBVISG-UHFFFAOYSA-N 1 2 267.332 2.324 20 30 CEEDLO N#Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000586773753 345020053 /nfs/dbraw/zinc/02/00/53/345020053.db2.gz CYPBOVSMTZOMKX-CQSZACIVSA-N 1 2 298.321 2.371 20 30 CEEDLO CCN(CC)c1ncc(C[NH2+]C[C@@H](C)C#N)s1 ZINC000054180999 362517783 /nfs/dbraw/zinc/51/77/83/362517783.db2.gz POATZRXKQOZVCX-JTQLQIEISA-N 1 2 252.387 2.239 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)CCCCCC#N ZINC000588150479 345039377 /nfs/dbraw/zinc/03/93/77/345039377.db2.gz WIELICIEEKQCAV-UHFFFAOYSA-N 1 2 274.368 2.238 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000589359616 345078997 /nfs/dbraw/zinc/07/89/97/345078997.db2.gz MAZARDXKLCKDHC-ZDUSSCGKSA-N 1 2 281.319 2.044 20 30 CEEDLO Cc1cn2cc(NC(=O)c3cccc(C#N)n3)ccc2[nH+]1 ZINC000589375187 345079639 /nfs/dbraw/zinc/07/96/39/345079639.db2.gz NWLHPYQLNXIUNH-UHFFFAOYSA-N 1 2 277.287 2.162 20 30 CEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000589506141 345085209 /nfs/dbraw/zinc/08/52/09/345085209.db2.gz ZFZUGPMTZYPRDV-ZDUSSCGKSA-N 1 2 287.392 2.394 20 30 CEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000589506141 345085211 /nfs/dbraw/zinc/08/52/11/345085211.db2.gz ZFZUGPMTZYPRDV-ZDUSSCGKSA-N 1 2 287.392 2.394 20 30 CEEDLO C[N@H+](CCOC(C)(C)C)Cc1nc(C#N)cs1 ZINC000589503310 345085440 /nfs/dbraw/zinc/08/54/40/345085440.db2.gz QZLAFPFYJNAFPU-UHFFFAOYSA-N 1 2 253.371 2.262 20 30 CEEDLO C[N@@H+](CCOC(C)(C)C)Cc1nc(C#N)cs1 ZINC000589503310 345085441 /nfs/dbraw/zinc/08/54/41/345085441.db2.gz QZLAFPFYJNAFPU-UHFFFAOYSA-N 1 2 253.371 2.262 20 30 CEEDLO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCC3(F)F)n2c1 ZINC000588930546 345061143 /nfs/dbraw/zinc/06/11/43/345061143.db2.gz YXZDEWAXGCRCGG-GFCCVEGCSA-N 1 2 276.290 2.483 20 30 CEEDLO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000590160373 345118634 /nfs/dbraw/zinc/11/86/34/345118634.db2.gz VOPWXMBDOYVGMD-UHFFFAOYSA-N 1 2 298.390 2.382 20 30 CEEDLO Cc1cnc([C@@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)cn1 ZINC000589988379 345107416 /nfs/dbraw/zinc/10/74/16/345107416.db2.gz ADVGONOKNGSHKY-GDBMZVCRSA-N 1 2 287.411 2.012 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)C1(C#N)CCCCC1 ZINC000057431569 362581548 /nfs/dbraw/zinc/58/15/48/362581548.db2.gz GVQGAMKXQGIYMZ-UHFFFAOYSA-N 1 2 286.379 2.238 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2c1CCCC2 ZINC000591241710 345233882 /nfs/dbraw/zinc/23/38/82/345233882.db2.gz HKWSIVKNPQWYEV-HNNXBMFYSA-N 1 2 288.391 2.151 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2c1CCCC2 ZINC000591241710 345233884 /nfs/dbraw/zinc/23/38/84/345233884.db2.gz HKWSIVKNPQWYEV-HNNXBMFYSA-N 1 2 288.391 2.151 20 30 CEEDLO N#Cc1cnccc1C[NH+]1CCN(c2cccs2)CC1 ZINC000592074801 345319146 /nfs/dbraw/zinc/31/91/46/345319146.db2.gz OXEHKAYTWBYJFQ-UHFFFAOYSA-N 1 2 284.388 2.337 20 30 CEEDLO N#Cc1cnccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000592076086 345319635 /nfs/dbraw/zinc/31/96/35/345319635.db2.gz UNHBLKKPRFUJRR-UHFFFAOYSA-N 1 2 281.359 2.338 20 30 CEEDLO N#Cc1cnccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000592076086 345319636 /nfs/dbraw/zinc/31/96/36/345319636.db2.gz UNHBLKKPRFUJRR-UHFFFAOYSA-N 1 2 281.359 2.338 20 30 CEEDLO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000591824755 345285816 /nfs/dbraw/zinc/28/58/16/345285816.db2.gz UGXVLUHZUYIDQN-CLLJXQQHSA-N 1 2 259.353 2.299 20 30 CEEDLO CO[C@@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000591844727 345287194 /nfs/dbraw/zinc/28/71/94/345287194.db2.gz OTPOYNTWAPVQLF-MSOLQXFVSA-N 1 2 299.418 2.121 20 30 CEEDLO CO[C@@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000591844727 345287196 /nfs/dbraw/zinc/28/71/96/345287196.db2.gz OTPOYNTWAPVQLF-MSOLQXFVSA-N 1 2 299.418 2.121 20 30 CEEDLO CC(C)(C)c1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592147253 345328948 /nfs/dbraw/zinc/32/89/48/345328948.db2.gz KKPWLQRGVNAOSA-CQSZACIVSA-N 1 2 279.409 2.291 20 30 CEEDLO CC(C)(C)c1nc(C[N@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592147253 345328949 /nfs/dbraw/zinc/32/89/49/345328949.db2.gz KKPWLQRGVNAOSA-CQSZACIVSA-N 1 2 279.409 2.291 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000592146434 345329549 /nfs/dbraw/zinc/32/95/49/345329549.db2.gz HRKGULZBSYGNHH-LLVKDONJSA-N 1 2 256.758 2.252 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000592146434 345329550 /nfs/dbraw/zinc/32/95/50/345329550.db2.gz HRKGULZBSYGNHH-LLVKDONJSA-N 1 2 256.758 2.252 20 30 CEEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592150428 345330306 /nfs/dbraw/zinc/33/03/06/345330306.db2.gz CIGLFUKOXDCKHS-HNNXBMFYSA-N 1 2 276.384 2.095 20 30 CEEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592150428 345330307 /nfs/dbraw/zinc/33/03/07/345330307.db2.gz CIGLFUKOXDCKHS-HNNXBMFYSA-N 1 2 276.384 2.095 20 30 CEEDLO Cc1cccc([C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593154939 345447864 /nfs/dbraw/zinc/44/78/64/345447864.db2.gz ZXKZCBVQHUAOQD-XJKSGUPXSA-N 1 2 273.380 2.059 20 30 CEEDLO N#CC1(CNC(=O)NCCCCn2cc[nH+]c2)CCCC1 ZINC000593324004 345466728 /nfs/dbraw/zinc/46/67/28/345466728.db2.gz XCADLUITOSIWDW-UHFFFAOYSA-N 1 2 289.383 2.046 20 30 CEEDLO C[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000593972064 345558801 /nfs/dbraw/zinc/55/88/01/345558801.db2.gz NAQFEYIDUXJUJM-LLVKDONJSA-N 1 2 284.367 2.151 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000594014769 345565937 /nfs/dbraw/zinc/56/59/37/345565937.db2.gz KASOHOBPLQNNLN-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000594014769 345565939 /nfs/dbraw/zinc/56/59/39/345565939.db2.gz KASOHOBPLQNNLN-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO COC(=O)c1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cn1C ZINC000594615212 345662940 /nfs/dbraw/zinc/66/29/40/345662940.db2.gz UGIUTYFUNVCETB-UHFFFAOYSA-N 1 2 295.342 2.199 20 30 CEEDLO COC(=O)c1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cn1C ZINC000594615212 345662943 /nfs/dbraw/zinc/66/29/43/345662943.db2.gz UGIUTYFUNVCETB-UHFFFAOYSA-N 1 2 295.342 2.199 20 30 CEEDLO CC1(C#N)CCC([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)CC1 ZINC000594510210 345640725 /nfs/dbraw/zinc/64/07/25/345640725.db2.gz IBZHLKMXVSYIJO-AVERBVTBSA-N 1 2 289.383 2.218 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000594921715 345702483 /nfs/dbraw/zinc/70/24/83/345702483.db2.gz RUFQIVWRRZFKMY-UHFFFAOYSA-N 1 2 285.326 2.155 20 30 CEEDLO Cc1[nH]c(CNCc2ccc(C#N)cc2F)[nH+]c1C ZINC000594922438 345702980 /nfs/dbraw/zinc/70/29/80/345702980.db2.gz UCTODMSLPIOHKU-UHFFFAOYSA-N 1 2 258.300 2.327 20 30 CEEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)cc2F)[nH]c1C ZINC000594922438 345702983 /nfs/dbraw/zinc/70/29/83/345702983.db2.gz UCTODMSLPIOHKU-UHFFFAOYSA-N 1 2 258.300 2.327 20 30 CEEDLO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)ccc1C#N ZINC000594957182 345716377 /nfs/dbraw/zinc/71/63/77/345716377.db2.gz NZQSAZSJJXQRJE-FZMZJTMJSA-N 1 2 267.336 2.254 20 30 CEEDLO CC(C)CNC(=O)CCC[N@H+](CC#N)C1CCCC1 ZINC000595329461 345763439 /nfs/dbraw/zinc/76/34/39/345763439.db2.gz SYRAOFYUXJSTHK-UHFFFAOYSA-N 1 2 265.401 2.307 20 30 CEEDLO CC(C)CNC(=O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000595329461 345763440 /nfs/dbraw/zinc/76/34/40/345763440.db2.gz SYRAOFYUXJSTHK-UHFFFAOYSA-N 1 2 265.401 2.307 20 30 CEEDLO Cc1nc(N2CCN([C@@H](C#N)c3ccccc3)CC2)cc[nH+]1 ZINC000595437383 345782821 /nfs/dbraw/zinc/78/28/21/345782821.db2.gz GTLJORVOVOBBSS-INIZCTEOSA-N 1 2 293.374 2.172 20 30 CEEDLO CC(C)CN1CC[N@H+](CCc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000595444547 345784059 /nfs/dbraw/zinc/78/40/59/345784059.db2.gz ATVROBGDGPKTPG-HNNXBMFYSA-N 1 2 299.418 2.289 20 30 CEEDLO CC(C)CN1CC[N@@H+](CCc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000595444547 345784062 /nfs/dbraw/zinc/78/40/62/345784062.db2.gz ATVROBGDGPKTPG-HNNXBMFYSA-N 1 2 299.418 2.289 20 30 CEEDLO N#C[C@H](N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000595452700 345786266 /nfs/dbraw/zinc/78/62/66/345786266.db2.gz BTKHZFPPUIKOGL-BZSNNMDCSA-N 1 2 299.418 2.484 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595530596 345804059 /nfs/dbraw/zinc/80/40/59/345804059.db2.gz SQXUPZYEZAYLBB-LLVKDONJSA-N 1 2 286.335 2.131 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000595679412 345846486 /nfs/dbraw/zinc/84/64/86/345846486.db2.gz DYUXEJJFYFXWMJ-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000595679412 345846488 /nfs/dbraw/zinc/84/64/88/345846488.db2.gz DYUXEJJFYFXWMJ-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595617547 345829047 /nfs/dbraw/zinc/82/90/47/345829047.db2.gz WUFIWIGXAYYFOE-CQSZACIVSA-N 1 2 282.347 2.122 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595617547 345829049 /nfs/dbraw/zinc/82/90/49/345829049.db2.gz WUFIWIGXAYYFOE-CQSZACIVSA-N 1 2 282.347 2.122 20 30 CEEDLO C=CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638220 345834592 /nfs/dbraw/zinc/83/45/92/345834592.db2.gz CWGDBWMGKRQVTJ-NSHDSACASA-N 1 2 280.324 2.323 20 30 CEEDLO C=CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638220 345834595 /nfs/dbraw/zinc/83/45/95/345834595.db2.gz CWGDBWMGKRQVTJ-NSHDSACASA-N 1 2 280.324 2.323 20 30 CEEDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595832281 345889055 /nfs/dbraw/zinc/88/90/55/345889055.db2.gz AANAEBYOQUBYJD-IUODEOHRSA-N 1 2 291.420 2.031 20 30 CEEDLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595832281 345889057 /nfs/dbraw/zinc/88/90/57/345889057.db2.gz AANAEBYOQUBYJD-IUODEOHRSA-N 1 2 291.420 2.031 20 30 CEEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833086 345890202 /nfs/dbraw/zinc/89/02/02/345890202.db2.gz FPIXERMJWGWAFW-WMLDXEAASA-N 1 2 285.391 2.269 20 30 CEEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833086 345890206 /nfs/dbraw/zinc/89/02/06/345890206.db2.gz FPIXERMJWGWAFW-WMLDXEAASA-N 1 2 285.391 2.269 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833324 345890368 /nfs/dbraw/zinc/89/03/68/345890368.db2.gz GMBUYGRHMPUOII-ZFWWWQNUSA-N 1 2 263.385 2.035 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833324 345890372 /nfs/dbraw/zinc/89/03/72/345890372.db2.gz GMBUYGRHMPUOII-ZFWWWQNUSA-N 1 2 263.385 2.035 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835626 345892552 /nfs/dbraw/zinc/89/25/52/345892552.db2.gz SKQZQTXLTXTGRE-CTASWTNQSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835626 345892553 /nfs/dbraw/zinc/89/25/53/345892553.db2.gz SKQZQTXLTXTGRE-CTASWTNQSA-N 1 2 277.412 2.400 20 30 CEEDLO Cc1nc2ccccn2c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595837556 345892648 /nfs/dbraw/zinc/89/26/48/345892648.db2.gz JBVKBOYWQMBBOG-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1nc2ccccn2c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595837556 345892650 /nfs/dbraw/zinc/89/26/50/345892650.db2.gz JBVKBOYWQMBBOG-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836481 345893288 /nfs/dbraw/zinc/89/32/88/345893288.db2.gz YRHUFHLVMRPEOX-ORIJERBGSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836481 345893289 /nfs/dbraw/zinc/89/32/89/345893289.db2.gz YRHUFHLVMRPEOX-ORIJERBGSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000595841865 345895698 /nfs/dbraw/zinc/89/56/98/345895698.db2.gz XKTJROCLSBENMZ-GOSISDBHSA-N 1 2 297.402 2.413 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000595841865 345895699 /nfs/dbraw/zinc/89/56/99/345895699.db2.gz XKTJROCLSBENMZ-GOSISDBHSA-N 1 2 297.402 2.413 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000595845166 345897040 /nfs/dbraw/zinc/89/70/40/345897040.db2.gz ZAOIPWVJVUMAQT-SNVBAGLBSA-N 1 2 268.254 2.139 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CCOCC(F)(F)C(F)F)C1 ZINC000595845166 345897044 /nfs/dbraw/zinc/89/70/44/345897044.db2.gz ZAOIPWVJVUMAQT-SNVBAGLBSA-N 1 2 268.254 2.139 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](CC(F)(F)F)C2)C1 ZINC000595884960 345906111 /nfs/dbraw/zinc/90/61/11/345906111.db2.gz CRVJDMUMLDZPOT-OUAUKWLOSA-N 1 2 262.275 2.332 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](CC(F)(F)F)C2)C1 ZINC000595884960 345906114 /nfs/dbraw/zinc/90/61/14/345906114.db2.gz CRVJDMUMLDZPOT-OUAUKWLOSA-N 1 2 262.275 2.332 20 30 CEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1=CCSC1 ZINC000595889206 345907348 /nfs/dbraw/zinc/90/73/48/345907348.db2.gz RRXCVTQFFMGLMC-UHFFFAOYSA-N 1 2 287.388 2.102 20 30 CEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC1=CCSC1 ZINC000595889206 345907350 /nfs/dbraw/zinc/90/73/50/345907350.db2.gz RRXCVTQFFMGLMC-UHFFFAOYSA-N 1 2 287.388 2.102 20 30 CEEDLO Cc1ccc(C#N)nc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000596111994 345942581 /nfs/dbraw/zinc/94/25/81/345942581.db2.gz GVFJIJBUUJBASE-AWEZNQCLSA-N 1 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ALORYHKCGXYHMY-KRWDZBQOSA-N 1 2 296.374 2.207 20 30 CEEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000597178092 346142322 /nfs/dbraw/zinc/14/23/22/346142322.db2.gz ALORYHKCGXYHMY-KRWDZBQOSA-N 1 2 296.374 2.207 20 30 CEEDLO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229607 346154947 /nfs/dbraw/zinc/15/49/47/346154947.db2.gz NEAQRJWECDEPBI-HNNXBMFYSA-N 1 2 257.337 2.381 20 30 CEEDLO CC(=O)Nc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229607 346154948 /nfs/dbraw/zinc/15/49/48/346154948.db2.gz NEAQRJWECDEPBI-HNNXBMFYSA-N 1 2 257.337 2.381 20 30 CEEDLO N#CC[C@@H]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000597916426 346252744 /nfs/dbraw/zinc/25/27/44/346252744.db2.gz WKETXJSAPINIJJ-ZDUSSCGKSA-N 1 2 282.347 2.029 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942924 346255300 /nfs/dbraw/zinc/25/53/00/346255300.db2.gz GFRWRMWAFLOBHN-MRXNPFEDSA-N 1 2 286.379 2.238 20 30 CEEDLO C[C@]1(C#N)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000598409563 346348302 /nfs/dbraw/zinc/34/83/02/346348302.db2.gz ANHABUVTWRABAW-QGZVFWFLSA-N 1 2 294.358 2.307 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@@](C)(C#N)C3)cc2n1C ZINC000598418471 346352849 /nfs/dbraw/zinc/35/28/49/346352849.db2.gz SMHQUTMRPUTGFN-INIZCTEOSA-N 1 2 282.347 2.258 20 30 CEEDLO Cn1ccnc1[C@@H]1OCC[C@H]1CNc1cc(CC#N)cc[nH+]1 ZINC000598719532 346407600 /nfs/dbraw/zinc/40/76/00/346407600.db2.gz XRBMOCIUSSHJCN-DZGCQCFKSA-N 1 2 297.362 2.071 20 30 CEEDLO Cc1cc(NC(=O)[C@H](C)CC#N)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000598820872 346423126 /nfs/dbraw/zinc/42/31/26/346423126.db2.gz XIZQJLJGWSJJAW-SECBINFHSA-N 1 2 298.350 2.076 20 30 CEEDLO C[C@H](C#N)CN(C)c1nc2ccccc2n2c[nH+]cc12 ZINC000599019889 346447371 /nfs/dbraw/zinc/44/73/71/346447371.db2.gz OAJYKBIWZORMES-LLVKDONJSA-N 1 2 265.320 2.478 20 30 CEEDLO C[C@@H](C#N)CN(C)c1nc2ccccc2n2c[nH+]cc12 ZINC000599019890 346447554 /nfs/dbraw/zinc/44/75/54/346447554.db2.gz OAJYKBIWZORMES-NSHDSACASA-N 1 2 265.320 2.478 20 30 CEEDLO CCC#C[C@H](C)[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623261369 349965533 /nfs/dbraw/zinc/96/55/33/349965533.db2.gz NNGMPHMWSNOXCE-ZDUSSCGKSA-N 1 2 256.349 2.267 20 30 CEEDLO CC1(C#N)CN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000599071572 346456188 /nfs/dbraw/zinc/45/61/88/346456188.db2.gz YZSRXTBTEAHUJJ-UHFFFAOYSA-N 1 2 263.304 2.232 20 30 CEEDLO CCC#C[C@H](C)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623261369 349965535 /nfs/dbraw/zinc/96/55/35/349965535.db2.gz NNGMPHMWSNOXCE-ZDUSSCGKSA-N 1 2 256.349 2.267 20 30 CEEDLO Cc1cc(C#N)nc(N(C)CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000599090274 346458553 /nfs/dbraw/zinc/45/85/53/346458553.db2.gz CEFUYLQCBPXVTQ-UHFFFAOYSA-N 1 2 292.346 2.212 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1C(F)(F)F ZINC000599160825 346469868 /nfs/dbraw/zinc/46/98/68/346469868.db2.gz PKLQQPIOSNHRDV-LLVKDONJSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1C(F)(F)F ZINC000599160825 346469871 /nfs/dbraw/zinc/46/98/71/346469871.db2.gz PKLQQPIOSNHRDV-LLVKDONJSA-N 1 2 299.296 2.320 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccccc1OCCCCO ZINC000602607987 347099221 /nfs/dbraw/zinc/09/92/21/347099221.db2.gz OEBZZLRBHUOTKY-CYBMUJFWSA-N 1 2 262.353 2.087 20 30 CEEDLO Cn1c2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)ccc2oc1=O ZINC000602607896 347099238 /nfs/dbraw/zinc/09/92/38/347099238.db2.gz KSKBVRBZBDFZEP-MRXNPFEDSA-N 1 2 285.347 2.257 20 30 CEEDLO Cn1c2cc(C[N@H+]3CCC[C@](C)(C#N)C3)ccc2oc1=O ZINC000602607896 347099241 /nfs/dbraw/zinc/09/92/41/347099241.db2.gz KSKBVRBZBDFZEP-MRXNPFEDSA-N 1 2 285.347 2.257 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000599310125 346496766 /nfs/dbraw/zinc/49/67/66/346496766.db2.gz OUECSUMDTYEGHL-NSHDSACASA-N 1 2 298.321 2.403 20 30 CEEDLO Cc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)nn1C ZINC000599676444 346561510 /nfs/dbraw/zinc/56/15/10/346561510.db2.gz DBVHITZIAAFIIF-UHFFFAOYSA-N 1 2 280.375 2.353 20 30 CEEDLO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)nn1C ZINC000599676444 346561511 /nfs/dbraw/zinc/56/15/11/346561511.db2.gz DBVHITZIAAFIIF-UHFFFAOYSA-N 1 2 280.375 2.353 20 30 CEEDLO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)on1 ZINC000599677819 346562472 /nfs/dbraw/zinc/56/24/72/346562472.db2.gz LWODBNIXZLHKAC-UHFFFAOYSA-N 1 2 283.331 2.308 20 30 CEEDLO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)on1 ZINC000599677819 346562473 /nfs/dbraw/zinc/56/24/73/346562473.db2.gz LWODBNIXZLHKAC-UHFFFAOYSA-N 1 2 283.331 2.308 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602609297 347100486 /nfs/dbraw/zinc/10/04/86/347100486.db2.gz BMMHEWCNINLTBG-JSGCOSHPSA-N 1 2 260.337 2.430 20 30 CEEDLO C[C@H]1C[N@H+](CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599593743 346543058 /nfs/dbraw/zinc/54/30/58/346543058.db2.gz DHYVLSQMQQITPH-NWDGAFQWSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@H]1C[N@@H+](CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599593743 346543061 /nfs/dbraw/zinc/54/30/61/346543061.db2.gz DHYVLSQMQQITPH-NWDGAFQWSA-N 1 2 252.358 2.200 20 30 CEEDLO Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccc1C#N ZINC000599635603 346550562 /nfs/dbraw/zinc/55/05/62/346550562.db2.gz TWUIWPYNFNFLOX-HNNXBMFYSA-N 1 2 262.328 2.427 20 30 CEEDLO Cc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ccc1C#N ZINC000599635603 346550565 /nfs/dbraw/zinc/55/05/65/346550565.db2.gz TWUIWPYNFNFLOX-HNNXBMFYSA-N 1 2 262.328 2.427 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951958 346587836 /nfs/dbraw/zinc/58/78/36/346587836.db2.gz JBARMCKSDZSTJA-GFCCVEGCSA-N 1 2 294.358 2.045 20 30 CEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951958 346587839 /nfs/dbraw/zinc/58/78/39/346587839.db2.gz JBARMCKSDZSTJA-GFCCVEGCSA-N 1 2 294.358 2.045 20 30 CEEDLO C=CCCSCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000600089950 346596016 /nfs/dbraw/zinc/59/60/16/346596016.db2.gz DPFGCGWMIPBISQ-ZDUSSCGKSA-N 1 2 293.436 2.179 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000600203664 346622095 /nfs/dbraw/zinc/62/20/95/346622095.db2.gz FSLVMXQMISWUAG-NSHDSACASA-N 1 2 254.330 2.180 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000600203664 346622097 /nfs/dbraw/zinc/62/20/97/346622097.db2.gz FSLVMXQMISWUAG-NSHDSACASA-N 1 2 254.330 2.180 20 30 CEEDLO COC(=O)C1C[C@H](C)[NH+](Cc2nc(C#N)cs2)[C@@H](C)C1 ZINC000599692104 346568642 /nfs/dbraw/zinc/56/86/42/346568642.db2.gz SFUYAFQYXOZLHO-UWVGGRQHSA-N 1 2 293.392 2.177 20 30 CEEDLO Cc1ccc(C[S@@](=O)Cc2c[nH+]cn2C)cc1C#N ZINC000600904100 346706978 /nfs/dbraw/zinc/70/69/78/346706978.db2.gz UKOMJDROHPYHAY-LJQANCHMSA-N 1 2 273.361 2.049 20 30 CEEDLO C[C@H](CCC#N)C[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000602618959 347106896 /nfs/dbraw/zinc/10/68/96/347106896.db2.gz WEJHNIHOTUSRSG-CYBMUJFWSA-N 1 2 289.354 2.414 20 30 CEEDLO C[C@H](CCC#N)C[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000602618959 347106897 /nfs/dbraw/zinc/10/68/97/347106897.db2.gz WEJHNIHOTUSRSG-CYBMUJFWSA-N 1 2 289.354 2.414 20 30 CEEDLO Cc1nnc(Nc2c[nH+]cc(N(C)C)c2)c(C#N)c1C ZINC000601213900 346791393 /nfs/dbraw/zinc/79/13/93/346791393.db2.gz MHLKLVMDJFTWRC-UHFFFAOYSA-N 1 2 268.324 2.170 20 30 CEEDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602684307 347144487 /nfs/dbraw/zinc/14/44/87/347144487.db2.gz VJXVYMMXHWTFRE-NSHDSACASA-N 1 2 255.325 2.020 20 30 CEEDLO COc1cccc(OC)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602719179 347169122 /nfs/dbraw/zinc/16/91/22/347169122.db2.gz UTAVXZSDDBXJCF-HNNXBMFYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1cccc(OC)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000602719179 347169125 /nfs/dbraw/zinc/16/91/25/347169125.db2.gz UTAVXZSDDBXJCF-HNNXBMFYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1cc(F)cc(OC)c1C[NH+]1CC(CC#N)C1 ZINC000602705629 347160429 /nfs/dbraw/zinc/16/04/29/347160429.db2.gz BGGKDJGXALCQIK-UHFFFAOYSA-N 1 2 264.300 2.188 20 30 CEEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C(F)(F)F)O1 ZINC000602781376 347195603 /nfs/dbraw/zinc/19/56/03/347195603.db2.gz KPVYERVMKXTMKG-VHSXEESVSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](C(F)(F)F)O1 ZINC000602781376 347195605 /nfs/dbraw/zinc/19/56/05/347195605.db2.gz KPVYERVMKXTMKG-VHSXEESVSA-N 1 2 262.275 2.332 20 30 CEEDLO N#CCC1(C[NH+]2CCN(c3ncccc3F)CC2)CC1 ZINC000602801793 347204886 /nfs/dbraw/zinc/20/48/86/347204886.db2.gz ZSBASHUJKNKXAA-UHFFFAOYSA-N 1 2 274.343 2.037 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H](COC)CC(C)C)C(=O)OC ZINC000602732349 347175937 /nfs/dbraw/zinc/17/59/37/347175937.db2.gz AXGIMNORGHXSQQ-STQMWFEESA-N 1 2 257.374 2.145 20 30 CEEDLO N#CCCN1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000602748093 347183421 /nfs/dbraw/zinc/18/34/21/347183421.db2.gz KJSMDSXLYYJGNX-UHFFFAOYSA-N 1 2 290.436 2.442 20 30 CEEDLO CCOc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1F ZINC000602748418 347184262 /nfs/dbraw/zinc/18/42/62/347184262.db2.gz MMWBKRYNNFTSDB-UHFFFAOYSA-N 1 2 291.370 2.256 20 30 CEEDLO N#CCCN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000602748511 347184325 /nfs/dbraw/zinc/18/43/25/347184325.db2.gz NRNWJZWYJREMCA-UHFFFAOYSA-N 1 2 276.409 2.052 20 30 CEEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000602763801 347188804 /nfs/dbraw/zinc/18/88/04/347188804.db2.gz DGSRLOMMZZHYJD-UHFFFAOYSA-N 1 2 289.404 2.200 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H](C)N1CC#N ZINC000602847754 347223380 /nfs/dbraw/zinc/22/33/80/347223380.db2.gz CTDLTZZAXGWPFW-OKILXGFUSA-N 1 2 289.427 2.056 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H](C)N1CC#N ZINC000602847754 347223385 /nfs/dbraw/zinc/22/33/85/347223385.db2.gz CTDLTZZAXGWPFW-OKILXGFUSA-N 1 2 289.427 2.056 20 30 CEEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)C(=O)N1C ZINC000602850002 347224414 /nfs/dbraw/zinc/22/44/14/347224414.db2.gz TXLRRTXJIKHDJP-UTUOFQBUSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)C(=O)N1C ZINC000602850002 347224416 /nfs/dbraw/zinc/22/44/16/347224416.db2.gz TXLRRTXJIKHDJP-UTUOFQBUSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1C[NH+](Cc2c(F)cccc2F)C[C@@H](C)N1CC#N ZINC000602852530 347225521 /nfs/dbraw/zinc/22/55/21/347225521.db2.gz CAZBAPLHWBJJJF-VXGBXAGGSA-N 1 2 279.334 2.383 20 30 CEEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602860370 347228078 /nfs/dbraw/zinc/22/80/78/347228078.db2.gz CTZMIIGNAAPTGB-FRRDWIJNSA-N 1 2 289.379 2.153 20 30 CEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602860567 347228170 /nfs/dbraw/zinc/22/81/70/347228170.db2.gz CBBYYFJZDOSSEJ-STQMWFEESA-N 1 2 253.390 2.209 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1ccccc1Cl ZINC000602863288 347229793 /nfs/dbraw/zinc/22/97/93/347229793.db2.gz MLSVGPXPYSIGMA-GHMZBOCLSA-N 1 2 279.771 2.409 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000602863158 347230056 /nfs/dbraw/zinc/23/00/56/347230056.db2.gz LUVSYHZOAYPPSO-GRYCIOLGSA-N 1 2 277.343 2.283 20 30 CEEDLO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)cc1 ZINC000602868561 347231053 /nfs/dbraw/zinc/23/10/53/347231053.db2.gz JGUYBKFNCWQOHJ-VXGBXAGGSA-N 1 2 275.352 2.304 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000602871809 347232845 /nfs/dbraw/zinc/23/28/45/347232845.db2.gz XFZLZUVJJJPGJP-RYUDHWBXSA-N 1 2 297.362 2.295 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)oc1C ZINC000602973519 347260429 /nfs/dbraw/zinc/26/04/29/347260429.db2.gz BGRIKVJRKGNKTO-SMDDNHRTSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)oc1C ZINC000602973519 347260432 /nfs/dbraw/zinc/26/04/32/347260432.db2.gz BGRIKVJRKGNKTO-SMDDNHRTSA-N 1 2 276.336 2.499 20 30 CEEDLO CC1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602976091 347262050 /nfs/dbraw/zinc/26/20/50/347262050.db2.gz KRJCDLLKYCVWKY-SHWKFHJASA-N 1 2 277.412 2.305 20 30 CEEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602976091 347262051 /nfs/dbraw/zinc/26/20/51/347262051.db2.gz KRJCDLLKYCVWKY-SHWKFHJASA-N 1 2 277.412 2.305 20 30 CEEDLO CC(C)CN(C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N)C1CC1 ZINC000602977585 347263223 /nfs/dbraw/zinc/26/32/23/347263223.db2.gz DDQFRKMSBFLKPO-ZFWWWQNUSA-N 1 2 277.412 2.257 20 30 CEEDLO CC(C)CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)C1CC1 ZINC000602977585 347263227 /nfs/dbraw/zinc/26/32/27/347263227.db2.gz DDQFRKMSBFLKPO-ZFWWWQNUSA-N 1 2 277.412 2.257 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977840 347263264 /nfs/dbraw/zinc/26/32/64/347263264.db2.gz HYWJVCAJICGVNM-XNRPHZJLSA-N 1 2 289.423 2.400 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977840 347263266 /nfs/dbraw/zinc/26/32/66/347263266.db2.gz HYWJVCAJICGVNM-XNRPHZJLSA-N 1 2 289.423 2.400 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981982 347264969 /nfs/dbraw/zinc/26/49/69/347264969.db2.gz MCUNXUNKYOCTFM-GHMZBOCLSA-N 1 2 291.317 2.021 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981982 347264971 /nfs/dbraw/zinc/26/49/71/347264971.db2.gz MCUNXUNKYOCTFM-GHMZBOCLSA-N 1 2 291.317 2.021 20 30 CEEDLO Cc1cc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000603400726 347359556 /nfs/dbraw/zinc/35/95/56/347359556.db2.gz MGTMFLGASWDXHS-STQMWFEESA-N 1 2 285.395 2.085 20 30 CEEDLO N#CCCc1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000603218656 347311790 /nfs/dbraw/zinc/31/17/90/347311790.db2.gz SREICNGHJFQNGS-UHFFFAOYSA-N 1 2 292.346 2.027 20 30 CEEDLO C=CCc1cc(C[NH2+]Cc2cocn2)cc(OC)c1O ZINC000603513300 347376814 /nfs/dbraw/zinc/37/68/14/347376814.db2.gz AUEAMXXQWGTZMY-UHFFFAOYSA-N 1 2 274.320 2.407 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000603840786 347391080 /nfs/dbraw/zinc/39/10/80/347391080.db2.gz UCKKBJFFFJUWBL-RYUDHWBXSA-N 1 2 289.301 2.473 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000603840786 347391082 /nfs/dbraw/zinc/39/10/82/347391082.db2.gz UCKKBJFFFJUWBL-RYUDHWBXSA-N 1 2 289.301 2.473 20 30 CEEDLO N#CCN(C(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000604528870 347419918 /nfs/dbraw/zinc/41/99/18/347419918.db2.gz PUCYYUHZZLUFKT-UHFFFAOYSA-N 1 2 268.320 2.220 20 30 CEEDLO N#Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1F ZINC000609102796 347626319 /nfs/dbraw/zinc/62/63/19/347626319.db2.gz YYMHNKDHRQFKKW-UHFFFAOYSA-N 1 2 272.283 2.313 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000609538284 347642631 /nfs/dbraw/zinc/64/26/31/347642631.db2.gz JTYALWIQRBTNJN-HOCLYGCPSA-N 1 2 272.396 2.308 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505217 347687133 /nfs/dbraw/zinc/68/71/33/347687133.db2.gz CQHBDELVKNLZBW-SWLSCSKDSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505217 347687135 /nfs/dbraw/zinc/68/71/35/347687135.db2.gz CQHBDELVKNLZBW-SWLSCSKDSA-N 1 2 289.354 2.333 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000610521202 347689156 /nfs/dbraw/zinc/68/91/56/347689156.db2.gz HTULYVNJZKHYKV-NSHDSACASA-N 1 2 286.360 2.294 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000610539970 347691122 /nfs/dbraw/zinc/69/11/22/347691122.db2.gz MIOJOCTXDOCKAD-GWCFXTLKSA-N 1 2 277.755 2.337 20 30 CEEDLO Cc1nnc(C[N@H+](C)CCOc2ccccc2C#N)s1 ZINC000611347247 347769583 /nfs/dbraw/zinc/76/95/83/347769583.db2.gz 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/nfs/dbraw/zinc/84/14/05/347841405.db2.gz QPBNQMNEXAACHT-ZDUSSCGKSA-N 1 2 267.336 2.300 20 30 CEEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccncc1 ZINC000336851659 365927147 /nfs/dbraw/zinc/92/71/47/365927147.db2.gz YNPYANMJXQCYMQ-UHFFFAOYSA-N 1 2 294.358 2.414 20 30 CEEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccncc1 ZINC000336851659 365927150 /nfs/dbraw/zinc/92/71/50/365927150.db2.gz YNPYANMJXQCYMQ-UHFFFAOYSA-N 1 2 294.358 2.414 20 30 CEEDLO N#Cc1cc(O)cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000614298604 348176255 /nfs/dbraw/zinc/17/62/55/348176255.db2.gz WCPPTPBUPKNGRQ-AWEZNQCLSA-N 1 2 296.330 2.354 20 30 CEEDLO N#Cc1c(F)cccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614618220 348222731 /nfs/dbraw/zinc/22/27/31/348222731.db2.gz DPBQBCZYNPEZGX-LBPRGKRZSA-N 1 2 298.321 2.371 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ncn(C)n1 ZINC000615093057 348279762 /nfs/dbraw/zinc/27/97/62/348279762.db2.gz VZJUYTOFDWSCOA-XHDPSFHLSA-N 1 2 281.363 2.415 20 30 CEEDLO 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284.281 2.147 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367094594 283152236 /nfs/dbraw/zinc/15/22/36/283152236.db2.gz QGLOIQYEFLXESG-SWLSCSKDSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367094594 283152242 /nfs/dbraw/zinc/15/22/42/283152242.db2.gz QGLOIQYEFLXESG-SWLSCSKDSA-N 1 2 260.312 2.308 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000338256003 366256645 /nfs/dbraw/zinc/25/66/45/366256645.db2.gz SOQSHPVUSXFUOX-UHFFFAOYSA-N 1 2 266.307 2.295 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000338256003 366256652 /nfs/dbraw/zinc/25/66/52/366256652.db2.gz SOQSHPVUSXFUOX-UHFFFAOYSA-N 1 2 266.307 2.295 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133896643 366266086 /nfs/dbraw/zinc/26/60/86/366266086.db2.gz KNFWORHMNMVTGA-UHFFFAOYSA-N 1 2 264.756 2.000 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133896643 366266091 /nfs/dbraw/zinc/26/60/91/366266091.db2.gz KNFWORHMNMVTGA-UHFFFAOYSA-N 1 2 264.756 2.000 20 30 CEEDLO C#CC[NH+](CC#C)Cc1nn(CC)c2ccccc21 ZINC000274622170 192690110 /nfs/dbraw/zinc/69/01/10/192690110.db2.gz WZPQPCYQMACFRW-UHFFFAOYSA-N 1 2 251.333 2.125 20 30 CEEDLO N#Cc1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)s1 ZINC000414547755 236406833 /nfs/dbraw/zinc/40/68/33/236406833.db2.gz IEHMWBVRIVUYMZ-UHFFFAOYSA-N 1 2 284.384 2.366 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000578312646 366474765 /nfs/dbraw/zinc/47/47/65/366474765.db2.gz UPMDIXGXQPTAQH-GASCZTMLSA-N 1 2 282.428 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000578312646 366474770 /nfs/dbraw/zinc/47/47/70/366474770.db2.gz UPMDIXGXQPTAQH-GASCZTMLSA-N 1 2 282.428 2.300 20 30 CEEDLO COCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccco1 ZINC000352838169 219673748 /nfs/dbraw/zinc/67/37/48/219673748.db2.gz QQYVVLPDHGGTHY-NSHDSACASA-N 1 2 277.349 2.475 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000081047415 363698982 /nfs/dbraw/zinc/69/89/82/363698982.db2.gz 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ZINC000087832714 363871901 /nfs/dbraw/zinc/87/19/01/363871901.db2.gz JUUUWOUDEOHPDV-AWEZNQCLSA-N 1 2 288.347 2.094 20 30 CEEDLO CC(C)(C(=O)Nc1cccc(C#N)c1)c1c[nH+]c[nH]1 ZINC000334632284 364106742 /nfs/dbraw/zinc/10/67/42/364106742.db2.gz GGPUYKDDNKZUOR-UHFFFAOYSA-N 1 2 254.293 2.198 20 30 CEEDLO CC(C)(C(=O)Nc1cccc(C#N)c1)c1c[nH]c[nH+]1 ZINC000334632284 364106746 /nfs/dbraw/zinc/10/67/46/364106746.db2.gz GGPUYKDDNKZUOR-UHFFFAOYSA-N 1 2 254.293 2.198 20 30 CEEDLO Cc1nsc(NCCCCn2cc[nH+]c2)c1C#N ZINC000092912489 364114518 /nfs/dbraw/zinc/11/45/18/364114518.db2.gz REPDNUNHRHRUTN-UHFFFAOYSA-N 1 2 261.354 2.412 20 30 CEEDLO C[C@@H]1CC[N@@H+]2[C@@H](C1)C(=O)NC21CCC(C)(C#N)CC1 ZINC000334841659 364276546 /nfs/dbraw/zinc/27/65/46/364276546.db2.gz PXOSSQQMQWJLRM-RMNLLRHXSA-N 1 2 261.369 2.017 20 30 CEEDLO C[C@@H]1CC[N@H+]2[C@@H](C1)C(=O)NC21CCC(C)(C#N)CC1 ZINC000334841659 364276548 /nfs/dbraw/zinc/27/65/48/364276548.db2.gz PXOSSQQMQWJLRM-RMNLLRHXSA-N 1 2 261.369 2.017 20 30 CEEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1C#N ZINC000378571257 291311274 /nfs/dbraw/zinc/31/12/74/291311274.db2.gz PMGZRSDEUZBNNV-HNNXBMFYSA-N 1 2 272.348 2.476 20 30 CEEDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccccc1C#N ZINC000378571257 291311276 /nfs/dbraw/zinc/31/12/76/291311276.db2.gz PMGZRSDEUZBNNV-HNNXBMFYSA-N 1 2 272.348 2.476 20 30 CEEDLO N#Cc1ccnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000342693285 216476848 /nfs/dbraw/zinc/47/68/48/216476848.db2.gz TUXTWXSADRDRKT-AWEZNQCLSA-N 1 2 266.304 2.006 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)nc1 ZINC000581981722 366844195 /nfs/dbraw/zinc/84/41/95/366844195.db2.gz JTJYAUOLHJYYSA-GOSISDBHSA-N 1 2 293.370 2.397 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)nc1 ZINC000581981722 366844203 /nfs/dbraw/zinc/84/42/03/366844203.db2.gz JTJYAUOLHJYYSA-GOSISDBHSA-N 1 2 293.370 2.397 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)c2cccc(CC#N)c2)c2[nH+]ccn21 ZINC000335178186 364582635 /nfs/dbraw/zinc/58/26/35/364582635.db2.gz XPCIHNWMTPYEAP-RISCZKNCSA-N 1 2 280.331 2.385 20 30 CEEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335407267 364701398 /nfs/dbraw/zinc/70/13/98/364701398.db2.gz ITLLVSFPVQRINM-MRXNPFEDSA-N 1 2 273.401 2.246 20 30 CEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335407267 364701402 /nfs/dbraw/zinc/70/14/02/364701402.db2.gz ITLLVSFPVQRINM-MRXNPFEDSA-N 1 2 273.401 2.246 20 30 CEEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cs1 ZINC000112547008 364813882 /nfs/dbraw/zinc/81/38/82/364813882.db2.gz AEILXAIAOVRZKW-GHMZBOCLSA-N 1 2 294.424 2.117 20 30 CEEDLO N#CCN(CC#N)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112632924 364822352 /nfs/dbraw/zinc/82/23/52/364822352.db2.gz GJVCZMFMZDXUOO-UHFFFAOYSA-N 1 2 292.298 2.363 20 30 CEEDLO Cc1cc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)ccc1C#N ZINC000335732591 364902350 /nfs/dbraw/zinc/90/23/50/364902350.db2.gz INWUNXAKWBBGNQ-DJJJIMSYSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)ccc1C#N ZINC000335732591 364902351 /nfs/dbraw/zinc/90/23/51/364902351.db2.gz INWUNXAKWBBGNQ-DJJJIMSYSA-N 1 2 276.405 2.210 20 30 CEEDLO C=CCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115779221 365025875 /nfs/dbraw/zinc/02/58/75/365025875.db2.gz ZDKAWDNRANLOPP-LBPRGKRZSA-N 1 2 283.322 2.053 20 30 CEEDLO COC(=O)C1([NH2+]CCOc2ccc(C#N)cc2)CCCC1 ZINC000118862486 365186170 /nfs/dbraw/zinc/18/61/70/365186170.db2.gz NBAKCOBMMCCSOS-UHFFFAOYSA-N 1 2 288.347 2.012 20 30 CEEDLO C[C@@]12CC[N@H+](Cc3nc(C#N)cs3)C[C@@H]1C2(F)F ZINC000336114533 365428056 /nfs/dbraw/zinc/42/80/56/365428056.db2.gz HVXVUYZSUZOBRM-GXSJLCMTSA-N 1 2 269.320 2.492 20 30 CEEDLO C[C@@]12CC[N@@H+](Cc3nc(C#N)cs3)C[C@@H]1C2(F)F ZINC000336114533 365428063 /nfs/dbraw/zinc/42/80/63/365428063.db2.gz HVXVUYZSUZOBRM-GXSJLCMTSA-N 1 2 269.320 2.492 20 30 CEEDLO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275808306 193133892 /nfs/dbraw/zinc/13/38/92/193133892.db2.gz ZHHPFGOUEUYPIB-QWHCGFSZSA-N 1 2 284.363 2.239 20 30 CEEDLO CCC[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)C(=O)OCC ZINC000582428419 366911548 /nfs/dbraw/zinc/91/15/48/366911548.db2.gz MTLPJALNWXHQJL-LBPRGKRZSA-N 1 2 275.352 2.117 20 30 CEEDLO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)C(=O)OCC ZINC000582428419 366911554 /nfs/dbraw/zinc/91/15/54/366911554.db2.gz MTLPJALNWXHQJL-LBPRGKRZSA-N 1 2 275.352 2.117 20 30 CEEDLO N#CCC[N@@H+](Cc1cnc2ccccn12)CC1CC1 ZINC000160557396 367017100 /nfs/dbraw/zinc/01/71/00/367017100.db2.gz PCXKQACCMFZOKS-UHFFFAOYSA-N 1 2 254.337 2.460 20 30 CEEDLO N#CCC[N@H+](Cc1cnc2ccccn12)CC1CC1 ZINC000160557396 367017103 /nfs/dbraw/zinc/01/71/03/367017103.db2.gz PCXKQACCMFZOKS-UHFFFAOYSA-N 1 2 254.337 2.460 20 30 CEEDLO Cc1cc(Br)cn2cc(CNCCC#N)[nH+]c12 ZINC000583318119 367030626 /nfs/dbraw/zinc/03/06/26/367030626.db2.gz RXWFIAFCMFVQII-UHFFFAOYSA-N 1 2 293.168 2.409 20 30 CEEDLO Cc1cc(Br)cn2cc(C[NH2+]CCC#N)nc12 ZINC000583318119 367030631 /nfs/dbraw/zinc/03/06/31/367030631.db2.gz RXWFIAFCMFVQII-UHFFFAOYSA-N 1 2 293.168 2.409 20 30 CEEDLO C[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)c2[nH+]ccn21 ZINC000583674696 367081620 /nfs/dbraw/zinc/08/16/20/367081620.db2.gz YMYBHFAMCVQSIK-WCBMZHEXSA-N 1 2 273.727 2.343 20 30 CEEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)s1 ZINC000584001989 367128077 /nfs/dbraw/zinc/12/80/77/367128077.db2.gz HTBUWCFJJPORTJ-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CC#CC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000357862001 370832226 /nfs/dbraw/zinc/83/22/26/370832226.db2.gz AWHDIRAVBITOOB-UHFFFAOYSA-N 1 2 250.292 2.110 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000596672005 367207939 /nfs/dbraw/zinc/20/79/39/367207939.db2.gz PDMQAXYEWJUHFF-ZIAGYGMSSA-N 1 2 280.331 2.228 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)C3(C#N)CC4(CC4)C3)cn2c1 ZINC000601015868 367214273 /nfs/dbraw/zinc/21/42/73/367214273.db2.gz PDBAPUCFJHOSCU-UHFFFAOYSA-N 1 2 294.358 2.343 20 30 CEEDLO CC[C@@H]([NH2+][C@H](C)CC#N)C(=O)Nc1ccc(OC)cc1 ZINC000602865407 367217549 /nfs/dbraw/zinc/21/75/49/367217549.db2.gz XWGUMOXAOHMFSC-BXUZGUMPSA-N 1 2 275.352 2.304 20 30 CEEDLO C=CCOCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341296604 367275044 /nfs/dbraw/zinc/27/50/44/367275044.db2.gz CFXJISVQABUYAE-UHFFFAOYSA-N 1 2 291.395 2.105 20 30 CEEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)NCC#N)C2CC2)o1 ZINC000342169523 367390664 /nfs/dbraw/zinc/39/06/64/367390664.db2.gz GOSLFUPRNZLYOA-RISCZKNCSA-N 1 2 287.363 2.007 20 30 CEEDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)NCC#N)C2CC2)o1 ZINC000342169523 367390667 /nfs/dbraw/zinc/39/06/67/367390667.db2.gz GOSLFUPRNZLYOA-RISCZKNCSA-N 1 2 287.363 2.007 20 30 CEEDLO C=C(C)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000681409973 541547772 /nfs/dbraw/zinc/54/77/72/541547772.db2.gz LBDVVNJRSAZJBQ-CQSZACIVSA-N 1 2 262.328 2.265 20 30 CEEDLO C=C(C)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000681409973 541547774 /nfs/dbraw/zinc/54/77/74/541547774.db2.gz LBDVVNJRSAZJBQ-CQSZACIVSA-N 1 2 262.328 2.265 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748836 367608541 /nfs/dbraw/zinc/60/85/41/367608541.db2.gz BNOPNKNAKLEFGZ-OAHLLOKOSA-N 1 2 279.405 2.170 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000171748836 367608548 /nfs/dbraw/zinc/60/85/48/367608548.db2.gz BNOPNKNAKLEFGZ-OAHLLOKOSA-N 1 2 279.405 2.170 20 30 CEEDLO COc1ccc(C#N)cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000343203694 367704890 /nfs/dbraw/zinc/70/48/90/367704890.db2.gz ZAFPDIKXABDNDH-UHFFFAOYSA-N 1 2 292.298 2.467 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245739822 370866458 /nfs/dbraw/zinc/86/64/58/370866458.db2.gz LKPZHARLCDVVKK-OCCSQVGLSA-N 1 2 298.394 2.305 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245739822 370866461 /nfs/dbraw/zinc/86/64/61/370866461.db2.gz LKPZHARLCDVVKK-OCCSQVGLSA-N 1 2 298.394 2.305 20 30 CEEDLO Cc1nc(C(=O)NCc2[nH+]ccn2CC(C)C)ccc1C#N ZINC000173031502 367860769 /nfs/dbraw/zinc/86/07/69/367860769.db2.gz PTJXYEXSLBWCHF-UHFFFAOYSA-N 1 2 297.362 2.044 20 30 CEEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343524264 367862196 /nfs/dbraw/zinc/86/21/96/367862196.db2.gz JEGUOUMWMKAHTR-ZDUSSCGKSA-N 1 2 294.420 2.008 20 30 CEEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343524264 367862202 /nfs/dbraw/zinc/86/22/02/367862202.db2.gz JEGUOUMWMKAHTR-ZDUSSCGKSA-N 1 2 294.420 2.008 20 30 CEEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccccc1C#N ZINC000174731699 368062030 /nfs/dbraw/zinc/06/20/30/368062030.db2.gz NIVKNSKOMXLPLR-AWEZNQCLSA-N 1 2 290.388 2.039 20 30 CEEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccccc1C#N ZINC000174731699 368062034 /nfs/dbraw/zinc/06/20/34/368062034.db2.gz NIVKNSKOMXLPLR-AWEZNQCLSA-N 1 2 290.388 2.039 20 30 CEEDLO C=C(C)Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000634603729 368751090 /nfs/dbraw/zinc/75/10/90/368751090.db2.gz IKBNCEMTPBHDPD-HNNXBMFYSA-N 1 2 283.375 2.283 20 30 CEEDLO C=C(C)Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000634603729 368751093 /nfs/dbraw/zinc/75/10/93/368751093.db2.gz IKBNCEMTPBHDPD-HNNXBMFYSA-N 1 2 283.375 2.283 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)Nc1c[nH+]ccc1OC ZINC000187629484 369191338 /nfs/dbraw/zinc/19/13/38/369191338.db2.gz RTCPIMLGPHSGJL-AWEZNQCLSA-N 1 2 264.325 2.258 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000187684326 369203088 /nfs/dbraw/zinc/20/30/88/369203088.db2.gz BBJKATAAPUMNBG-PBHICJAKSA-N 1 2 296.374 2.217 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000187684326 369203091 /nfs/dbraw/zinc/20/30/91/369203091.db2.gz BBJKATAAPUMNBG-PBHICJAKSA-N 1 2 296.374 2.217 20 30 CEEDLO C=CCCOCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635738695 369315621 /nfs/dbraw/zinc/31/56/21/369315621.db2.gz ZSJVSXGLQKGOQJ-CQSZACIVSA-N 1 2 279.384 2.179 20 30 CEEDLO CC[N@@H+](Cc1ccccc1C#N)C[C@H](O)C(F)(F)F ZINC000189523424 369530549 /nfs/dbraw/zinc/53/05/49/369530549.db2.gz OAVUPALKKDWFJD-LBPRGKRZSA-N 1 2 272.270 2.303 20 30 CEEDLO CC[N@H+](Cc1ccccc1C#N)C[C@H](O)C(F)(F)F ZINC000189523424 369530554 /nfs/dbraw/zinc/53/05/54/369530554.db2.gz OAVUPALKKDWFJD-LBPRGKRZSA-N 1 2 272.270 2.303 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351148167 369612182 /nfs/dbraw/zinc/61/21/82/369612182.db2.gz SCERKMKLXURYJS-GJZGRUSLSA-N 1 2 282.428 2.156 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351148167 369612186 /nfs/dbraw/zinc/61/21/86/369612186.db2.gz SCERKMKLXURYJS-GJZGRUSLSA-N 1 2 282.428 2.156 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191686166 369733878 /nfs/dbraw/zinc/73/38/78/369733878.db2.gz GPRSYQGDMHXTNE-LBPRGKRZSA-N 1 2 294.345 2.446 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191686166 369733884 /nfs/dbraw/zinc/73/38/84/369733884.db2.gz GPRSYQGDMHXTNE-LBPRGKRZSA-N 1 2 294.345 2.446 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000192238265 369784235 /nfs/dbraw/zinc/78/42/35/369784235.db2.gz CVTWAQRPNHRVFR-AWEZNQCLSA-N 1 2 278.783 2.472 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000192238265 369784237 /nfs/dbraw/zinc/78/42/37/369784237.db2.gz CVTWAQRPNHRVFR-AWEZNQCLSA-N 1 2 278.783 2.472 20 30 CEEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000353150735 370040644 /nfs/dbraw/zinc/04/06/44/370040644.db2.gz TVRHRNUZINKHNM-UHFFFAOYSA-N 1 2 252.339 2.003 20 30 CEEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000353150735 370040650 /nfs/dbraw/zinc/04/06/50/370040650.db2.gz TVRHRNUZINKHNM-UHFFFAOYSA-N 1 2 252.339 2.003 20 30 CEEDLO COC(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000354008438 370175529 /nfs/dbraw/zinc/17/55/29/370175529.db2.gz DKRPDMLILCNZPY-UHFFFAOYSA-N 1 2 260.337 2.455 20 30 CEEDLO COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000354008438 370175533 /nfs/dbraw/zinc/17/55/33/370175533.db2.gz DKRPDMLILCNZPY-UHFFFAOYSA-N 1 2 260.337 2.455 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354089045 370212316 /nfs/dbraw/zinc/21/23/16/370212316.db2.gz WPDUFAGFLWPKLN-ZFWWWQNUSA-N 1 2 273.336 2.001 20 30 CEEDLO C=CCN(Cc1cc2c(c[nH+]1)OCCO2)CC(F)(F)F ZINC000637968818 370204330 /nfs/dbraw/zinc/20/43/30/370204330.db2.gz BHJXYYMUFGIYNZ-UHFFFAOYSA-N 1 2 288.269 2.403 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000354078085 370207378 /nfs/dbraw/zinc/20/73/78/370207378.db2.gz MWVSGEIBPQKYEY-UHFFFAOYSA-N 1 2 283.335 2.284 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000354078085 370207382 /nfs/dbraw/zinc/20/73/82/370207382.db2.gz MWVSGEIBPQKYEY-UHFFFAOYSA-N 1 2 283.335 2.284 20 30 CEEDLO N#Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccn1 ZINC000354385528 370340868 /nfs/dbraw/zinc/34/08/68/370340868.db2.gz KUNSLPZNTLRMFZ-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1Cl ZINC000247700804 371136554 /nfs/dbraw/zinc/13/65/54/371136554.db2.gz UPNRKGAUOGHYDW-NWDGAFQWSA-N 1 2 282.771 2.314 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1Cl ZINC000247700804 371136557 /nfs/dbraw/zinc/13/65/57/371136557.db2.gz UPNRKGAUOGHYDW-NWDGAFQWSA-N 1 2 282.771 2.314 20 30 CEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000249074753 371290042 /nfs/dbraw/zinc/29/00/42/371290042.db2.gz LMIKKHRBBBGZFB-IAQYHMDHSA-N 1 2 290.338 2.328 20 30 CEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000249074753 371290046 /nfs/dbraw/zinc/29/00/46/371290046.db2.gz LMIKKHRBBBGZFB-IAQYHMDHSA-N 1 2 290.338 2.328 20 30 CEEDLO C=CCOc1cccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000639587410 371425279 /nfs/dbraw/zinc/42/52/79/371425279.db2.gz UZBGFVYRJOWFDW-ZDUSSCGKSA-N 1 2 298.346 2.194 20 30 CEEDLO C=CC[N@H+](Cc1nc(CC2CC2)no1)[C@H](C)COC ZINC000639784402 371565016 /nfs/dbraw/zinc/56/50/16/371565016.db2.gz FIKHXZMENNQBLB-LLVKDONJSA-N 1 2 265.357 2.045 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CC2CC2)no1)[C@H](C)COC ZINC000639784402 371565024 /nfs/dbraw/zinc/56/50/24/371565024.db2.gz FIKHXZMENNQBLB-LLVKDONJSA-N 1 2 265.357 2.045 20 30 CEEDLO C=CCOCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000361251096 371740281 /nfs/dbraw/zinc/74/02/81/371740281.db2.gz LUHBIVOHPFFOOP-CYBMUJFWSA-N 1 2 294.420 2.156 20 30 CEEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncccn3)CC2)cc1 ZINC000361334847 371789279 /nfs/dbraw/zinc/78/92/79/371789279.db2.gz ICXICWQSSMPZKI-UHFFFAOYSA-N 1 2 294.358 2.392 20 30 CEEDLO C=CCNC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000361731766 372043978 /nfs/dbraw/zinc/04/39/78/372043978.db2.gz BRUOVYDIHSGDHU-CQSZACIVSA-N 1 2 281.359 2.415 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000640797751 372145647 /nfs/dbraw/zinc/14/56/47/372145647.db2.gz GXDQSEWZROPLDY-UHFFFAOYSA-N 1 2 292.745 2.232 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C/C=C/c2ccccc2)nn1 ZINC000640834040 372161945 /nfs/dbraw/zinc/16/19/45/372161945.db2.gz UVEOUKVDQFWNAI-JXMROGBWSA-N 1 2 266.348 2.104 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(SC)cc2)nn1 ZINC000640845721 372163376 /nfs/dbraw/zinc/16/33/76/372163376.db2.gz WLXQHGPTUNIKJP-UHFFFAOYSA-N 1 2 286.404 2.161 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2c(F)cccc2F)nn1 ZINC000640987700 372201676 /nfs/dbraw/zinc/20/16/76/372201676.db2.gz WWQWRPMJRVEREU-NSHDSACASA-N 1 2 290.317 2.279 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000362278225 372295026 /nfs/dbraw/zinc/29/50/26/372295026.db2.gz NLNMFRSTKSFHKC-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000362278225 372295034 /nfs/dbraw/zinc/29/50/34/372295034.db2.gz NLNMFRSTKSFHKC-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(F)c(F)c2)nn1 ZINC000641060875 372265012 /nfs/dbraw/zinc/26/50/12/372265012.db2.gz MDRQFXGZLSJJCQ-NSHDSACASA-N 1 2 290.317 2.279 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc3ccccc3o2)nn1 ZINC000641130462 372331582 /nfs/dbraw/zinc/33/15/82/372331582.db2.gz MSYUCMRNUGBPIW-GFCCVEGCSA-N 1 2 295.346 2.142 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCc3ccc(F)cc32)nn1 ZINC000641136835 372334074 /nfs/dbraw/zinc/33/40/74/372334074.db2.gz TYLQPORODBAGIM-KRWDZBQOSA-N 1 2 298.365 2.456 20 30 CEEDLO Cc1nnc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)[nH]1 ZINC000362385702 372344320 /nfs/dbraw/zinc/34/43/20/372344320.db2.gz FMWVULYPQDZDLB-UHFFFAOYSA-N 1 2 287.392 2.426 20 30 CEEDLO CC[C@@H]1C[N@H+](CCNc2c(F)cc(C#N)cc2F)CCO1 ZINC000362666074 372479516 /nfs/dbraw/zinc/47/95/16/372479516.db2.gz FDQZTLCIDLYXKX-GFCCVEGCSA-N 1 2 295.333 2.359 20 30 CEEDLO CC[C@@H]1C[N@@H+](CCNc2c(F)cc(C#N)cc2F)CCO1 ZINC000362666074 372479522 /nfs/dbraw/zinc/47/95/22/372479522.db2.gz FDQZTLCIDLYXKX-GFCCVEGCSA-N 1 2 295.333 2.359 20 30 CEEDLO Cc1nnc([C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC000269578142 372495794 /nfs/dbraw/zinc/49/57/94/372495794.db2.gz DFWSTMLGZAZIQE-HNNXBMFYSA-N 1 2 298.365 2.483 20 30 CEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC000269578142 372495800 /nfs/dbraw/zinc/49/58/00/372495800.db2.gz DFWSTMLGZAZIQE-HNNXBMFYSA-N 1 2 298.365 2.483 20 30 CEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000269578142 372495805 /nfs/dbraw/zinc/49/58/05/372495805.db2.gz DFWSTMLGZAZIQE-HNNXBMFYSA-N 1 2 298.365 2.483 20 30 CEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000269578142 372495813 /nfs/dbraw/zinc/49/58/13/372495813.db2.gz DFWSTMLGZAZIQE-HNNXBMFYSA-N 1 2 298.365 2.483 20 30 CEEDLO Cc1nc([C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC000269578142 372495828 /nfs/dbraw/zinc/49/58/28/372495828.db2.gz DFWSTMLGZAZIQE-HNNXBMFYSA-N 1 2 298.365 2.483 20 30 CEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000270110376 372667732 /nfs/dbraw/zinc/66/77/32/372667732.db2.gz SLLLTYVLNNZKIY-UHFFFAOYSA-N 1 2 286.339 2.160 20 30 CEEDLO CC1=CC[N@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000270386055 372765349 /nfs/dbraw/zinc/76/53/49/372765349.db2.gz XFDJSXARQITIHC-UHFFFAOYSA-N 1 2 255.321 2.149 20 30 CEEDLO CC1=CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000270386055 372765358 /nfs/dbraw/zinc/76/53/58/372765358.db2.gz XFDJSXARQITIHC-UHFFFAOYSA-N 1 2 255.321 2.149 20 30 CEEDLO C#CC[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000270536541 372831626 /nfs/dbraw/zinc/83/16/26/372831626.db2.gz WJZAZPLNUOLJPK-OAHLLOKOSA-N 1 2 267.332 2.154 20 30 CEEDLO N#Cc1cnccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000365395830 372846636 /nfs/dbraw/zinc/84/66/36/372846636.db2.gz VPRAWKMLLJVWCX-CYBMUJFWSA-N 1 2 279.347 2.287 20 30 CEEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCCCNC1=O ZINC000365884573 372950844 /nfs/dbraw/zinc/95/08/44/372950844.db2.gz WMQMWPSAXVLVRV-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCCCNC1=O ZINC000365884573 372950849 /nfs/dbraw/zinc/95/08/49/372950849.db2.gz WMQMWPSAXVLVRV-HNNXBMFYSA-N 1 2 290.794 2.292 20 30 CEEDLO C=CC[N@@H+](Cc1ccn(C)n1)Cc1cccc(C#N)c1 ZINC000270843273 372977913 /nfs/dbraw/zinc/97/79/13/372977913.db2.gz VZTKMKPJUDOGTB-UHFFFAOYSA-N 1 2 266.348 2.480 20 30 CEEDLO C=CC[N@H+](Cc1ccn(C)n1)Cc1cccc(C#N)c1 ZINC000270843273 372977917 /nfs/dbraw/zinc/97/79/17/372977917.db2.gz VZTKMKPJUDOGTB-UHFFFAOYSA-N 1 2 266.348 2.480 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1nncn1C ZINC000271983531 373248593 /nfs/dbraw/zinc/24/85/93/373248593.db2.gz XIRBEQIIZVCJAZ-NXEZZACHSA-N 1 2 273.315 2.238 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)nn1 ZINC000643902059 373300449 /nfs/dbraw/zinc/30/04/49/373300449.db2.gz LJOUTEKMXIUJKQ-JTQLQIEISA-N 1 2 299.334 2.162 20 30 CEEDLO C#CCC(CC#C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000369015195 373315440 /nfs/dbraw/zinc/31/54/40/373315440.db2.gz DSFRBNOBKXFYSR-UHFFFAOYSA-N 1 2 291.354 2.151 20 30 CEEDLO N#Cc1cccnc1N1CCC[N@H+](Cc2nccs2)CC1 ZINC000370878761 373746310 /nfs/dbraw/zinc/74/63/10/373746310.db2.gz FTJOHSMORTWRRI-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1cccnc1N1CCC[N@@H+](Cc2nccs2)CC1 ZINC000370878761 373746315 /nfs/dbraw/zinc/74/63/15/373746315.db2.gz FTJOHSMORTWRRI-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1sccc1C#N ZINC000371460288 373891545 /nfs/dbraw/zinc/89/15/45/373891545.db2.gz REEIMIOFNYEKLU-NSHDSACASA-N 1 2 286.360 2.331 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccccc1 ZINC000274560266 373961382 /nfs/dbraw/zinc/96/13/82/373961382.db2.gz BUBSLGSEGUQALA-ZDUSSCGKSA-N 1 2 254.337 2.221 20 30 CEEDLO C#CC[C@@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccccc1 ZINC000274560261 373962267 /nfs/dbraw/zinc/96/22/67/373962267.db2.gz BUBSLGSEGUQALA-CYBMUJFWSA-N 1 2 254.337 2.221 20 30 CEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274726722 374028809 /nfs/dbraw/zinc/02/88/09/374028809.db2.gz ATLFFLGDDIYEJJ-LLVKDONJSA-N 1 2 278.739 2.207 20 30 CEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274726722 374028817 /nfs/dbraw/zinc/02/88/17/374028817.db2.gz ATLFFLGDDIYEJJ-LLVKDONJSA-N 1 2 278.739 2.207 20 30 CEEDLO CC#CC[C@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000645405012 374033961 /nfs/dbraw/zinc/03/39/61/374033961.db2.gz WIWYUMXWLWNZBY-SNVBAGLBSA-N 1 2 258.243 2.287 20 30 CEEDLO CC#CC[C@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000645406260 374035053 /nfs/dbraw/zinc/03/50/53/374035053.db2.gz VGYVWJOQZSVLHU-CYBMUJFWSA-N 1 2 275.396 2.332 20 30 CEEDLO Cc1ccc(C#N)c(N(C)Cc2cn3c([nH+]2)CCCC3)n1 ZINC000372992470 374238917 /nfs/dbraw/zinc/23/89/17/374238917.db2.gz XXKVBFBPSSTZQD-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277353384 374488951 /nfs/dbraw/zinc/48/89/51/374488951.db2.gz DOMJJGNAOSULRN-VBKZILBWSA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277353384 374488957 /nfs/dbraw/zinc/48/89/57/374488957.db2.gz DOMJJGNAOSULRN-VBKZILBWSA-N 1 2 291.416 2.042 20 30 CEEDLO N#Cc1cc(Cl)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000277427670 374516914 /nfs/dbraw/zinc/51/69/14/374516914.db2.gz MBXLSSVXGPMULH-UHFFFAOYSA-N 1 2 291.782 2.488 20 30 CEEDLO N#Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)ccc1F ZINC000334177267 206147743 /nfs/dbraw/zinc/14/77/43/206147743.db2.gz DKGBVCNNAXEATG-JTQLQIEISA-N 1 2 284.294 2.095 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000280571717 375249016 /nfs/dbraw/zinc/24/90/16/375249016.db2.gz GSJFWIBHCUNPQS-NSHDSACASA-N 1 2 284.319 2.203 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000389645592 375306492 /nfs/dbraw/zinc/30/64/92/375306492.db2.gz SPGFGWQYWMTWTL-UHFFFAOYSA-N 1 2 266.142 2.237 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000281465283 375381759 /nfs/dbraw/zinc/38/17/59/375381759.db2.gz UKHKJBYIXXJBAY-ZIAGYGMSSA-N 1 2 276.384 2.412 20 30 CEEDLO C=CC[C@H](CC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000281496191 375382271 /nfs/dbraw/zinc/38/22/71/375382271.db2.gz WKYWVLNQSQRBHC-ZDUSSCGKSA-N 1 2 264.373 2.269 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)C(C)C ZINC000281541078 375387214 /nfs/dbraw/zinc/38/72/14/375387214.db2.gz YHXJVMMDJTUIPG-CQSZACIVSA-N 1 2 284.363 2.100 20 30 CEEDLO COc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1C#N ZINC000282775303 375571267 /nfs/dbraw/zinc/57/12/67/375571267.db2.gz VDKKDBYKOFLOKB-UHFFFAOYSA-N 1 2 299.378 2.203 20 30 CEEDLO Cc1nc2ccccc2cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414123269 375797604 /nfs/dbraw/zinc/79/76/04/375797604.db2.gz JKGVFEHISFEWLX-HNNXBMFYSA-N 1 2 299.374 2.128 20 30 CEEDLO Cc1nc2ccccc2cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414123269 375797609 /nfs/dbraw/zinc/79/76/09/375797609.db2.gz JKGVFEHISFEWLX-HNNXBMFYSA-N 1 2 299.374 2.128 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(F)c1 ZINC000414133206 375797666 /nfs/dbraw/zinc/79/76/66/375797666.db2.gz AUXVLLLZUWIYEV-JTQLQIEISA-N 1 2 286.734 2.064 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)c(F)c1 ZINC000414133206 375797673 /nfs/dbraw/zinc/79/76/73/375797673.db2.gz AUXVLLLZUWIYEV-JTQLQIEISA-N 1 2 286.734 2.064 20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000287943107 376345668 /nfs/dbraw/zinc/34/56/68/376345668.db2.gz XOHKHTCUOGIXRM-SNVBAGLBSA-N 1 2 295.180 2.135 20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000287943107 376345675 /nfs/dbraw/zinc/34/56/75/376345675.db2.gz XOHKHTCUOGIXRM-SNVBAGLBSA-N 1 2 295.180 2.135 20 30 CEEDLO COCCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000419378124 376447583 /nfs/dbraw/zinc/44/75/83/376447583.db2.gz CZXPKUBWIRNNJK-OAHLLOKOSA-N 1 2 290.363 2.131 20 30 CEEDLO COCCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000419378124 376447588 /nfs/dbraw/zinc/44/75/88/376447588.db2.gz CZXPKUBWIRNNJK-OAHLLOKOSA-N 1 2 290.363 2.131 20 30 CEEDLO C=CCC[C@@H]1NC(=O)N(Cc2cn3c(cccc3C)[nH+]2)C1=O ZINC000419997912 376531702 /nfs/dbraw/zinc/53/17/02/376531702.db2.gz KSLMXHQMEWTGLT-ZDUSSCGKSA-N 1 2 298.346 2.029 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000264485814 190112992 /nfs/dbraw/zinc/11/29/92/190112992.db2.gz RHNORTZZJVIHIJ-JTQLQIEISA-N 1 2 251.355 2.122 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000264517574 190115245 /nfs/dbraw/zinc/11/52/45/190115245.db2.gz ZESHHCDAQRPFJK-UHFFFAOYSA-N 1 2 275.308 2.185 20 30 CEEDLO C[N@H+](CC(=O)NC1CCCCCC1)[C@H]1CCNC1=O ZINC000328804083 376902132 /nfs/dbraw/zinc/90/21/32/376902132.db2.gz BODSGHXUDZAYQN-LBPRGKRZSA-N 1 2 267.373 2.326 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCCC1)[C@H]1CCNC1=O ZINC000328804083 376902136 /nfs/dbraw/zinc/90/21/36/376902136.db2.gz BODSGHXUDZAYQN-LBPRGKRZSA-N 1 2 267.373 2.326 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000328802427 376902204 /nfs/dbraw/zinc/90/22/04/376902204.db2.gz AYQWAROSWOZFIV-GRYCIOLGSA-N 1 2 267.373 2.182 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000328802427 376902205 /nfs/dbraw/zinc/90/22/05/376902205.db2.gz AYQWAROSWOZFIV-GRYCIOLGSA-N 1 2 267.373 2.182 20 30 CEEDLO Cc1[nH]c(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c[nH+]1 ZINC000328609144 376859187 /nfs/dbraw/zinc/85/91/87/376859187.db2.gz CIQGGWONBPBKJH-PWSUYJOCSA-N 1 2 265.357 2.474 20 30 CEEDLO C[C@H](NC(=O)COc1ccsc1)[C@H](C)[NH+]1CCOCC1 ZINC000328663014 376874612 /nfs/dbraw/zinc/87/46/12/376874612.db2.gz XSIXFOQQFDZXFJ-RYUDHWBXSA-N 1 2 298.408 2.193 20 30 CEEDLO C[C@H]([C@H](C)NC(=O)COc1ccsc1)[NH+]1CCOCC1 ZINC000328663012 376874852 /nfs/dbraw/zinc/87/48/52/376874852.db2.gz XSIXFOQQFDZXFJ-NWDGAFQWSA-N 1 2 298.408 2.193 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)CC1CC1)CCC2 ZINC000328703695 376883347 /nfs/dbraw/zinc/88/33/47/376883347.db2.gz KEYUSOOYKCXMJE-CYBMUJFWSA-N 1 2 276.384 2.325 20 30 CEEDLO Cc1ncc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000328866646 376911878 /nfs/dbraw/zinc/91/18/78/376911878.db2.gz ZVNDCCQCXFOYBW-VIFPVBQESA-N 1 2 262.338 2.499 20 30 CEEDLO C[C@]1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCOC1 ZINC000329305355 376942770 /nfs/dbraw/zinc/94/27/70/376942770.db2.gz YHEIYFQWHBVOMM-GOEBONIOSA-N 1 2 296.411 2.013 20 30 CEEDLO C[C@]1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCOC1 ZINC000329305355 376942773 /nfs/dbraw/zinc/94/27/73/376942773.db2.gz YHEIYFQWHBVOMM-GOEBONIOSA-N 1 2 296.411 2.013 20 30 CEEDLO C[C@H](C[C@H]1CCCO1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329349772 376951359 /nfs/dbraw/zinc/95/13/59/376951359.db2.gz WOWZCJIEQQCGMH-ZIAGYGMSSA-N 1 2 296.411 2.155 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c(C)[nH+]1 ZINC000329596548 376971212 /nfs/dbraw/zinc/97/12/12/376971212.db2.gz VVLREHSLMPQAFA-SGMGOOAPSA-N 1 2 276.336 2.338 20 30 CEEDLO Cc1cc(C#N)nc(N[C@H](c2[nH]cc[nH+]2)C(C)C)n1 ZINC000291185150 377109868 /nfs/dbraw/zinc/10/98/68/377109868.db2.gz SFYGZCGYGINTJC-NSHDSACASA-N 1 2 256.313 2.189 20 30 CEEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563624194 377266401 /nfs/dbraw/zinc/26/64/01/377266401.db2.gz HPMLXAVDIHHLKQ-NSHDSACASA-N 1 2 289.335 2.466 20 30 CEEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563624194 377266408 /nfs/dbraw/zinc/26/64/08/377266408.db2.gz HPMLXAVDIHHLKQ-NSHDSACASA-N 1 2 289.335 2.466 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000426226916 377395396 /nfs/dbraw/zinc/39/53/96/377395396.db2.gz NKHXWKQZMRHGOR-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000426226916 377395402 /nfs/dbraw/zinc/39/54/02/377395402.db2.gz NKHXWKQZMRHGOR-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCCS(=O)(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000293107013 377430236 /nfs/dbraw/zinc/43/02/36/377430236.db2.gz URUHKDLGIMTTKL-UHFFFAOYSA-N 1 2 293.392 2.028 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCN(CC)C(=O)[C@@H]2C)c1 ZINC000428420812 377494462 /nfs/dbraw/zinc/49/44/62/377494462.db2.gz JCBRAOHYZKHIAV-AWEZNQCLSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC)C(=O)[C@@H]2C)c1 ZINC000428420812 377494467 /nfs/dbraw/zinc/49/44/67/377494467.db2.gz JCBRAOHYZKHIAV-AWEZNQCLSA-N 1 2 288.391 2.304 20 30 CEEDLO CC(C)CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1CC1 ZINC000433307123 377788059 /nfs/dbraw/zinc/78/80/59/377788059.db2.gz UPSMYIXKLSBRFQ-UHFFFAOYSA-N 1 2 265.401 2.115 20 30 CEEDLO CC(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1CC1 ZINC000433307123 377788064 /nfs/dbraw/zinc/78/80/64/377788064.db2.gz UPSMYIXKLSBRFQ-UHFFFAOYSA-N 1 2 265.401 2.115 20 30 CEEDLO CC(C)CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433320042 377790134 /nfs/dbraw/zinc/79/01/34/377790134.db2.gz KLPFEZRSXKJWCA-LBPRGKRZSA-N 1 2 253.390 2.019 20 30 CEEDLO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433320042 377790138 /nfs/dbraw/zinc/79/01/38/377790138.db2.gz KLPFEZRSXKJWCA-LBPRGKRZSA-N 1 2 253.390 2.019 20 30 CEEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC000567027846 377794124 /nfs/dbraw/zinc/79/41/24/377794124.db2.gz TUDLHAOWLRNRGD-CYBMUJFWSA-N 1 2 285.326 2.113 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000437903198 377872321 /nfs/dbraw/zinc/87/23/21/377872321.db2.gz RUHCGPIFFTXWSL-UHFFFAOYSA-N 1 2 273.380 2.022 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000437903198 377872327 /nfs/dbraw/zinc/87/23/27/377872327.db2.gz RUHCGPIFFTXWSL-UHFFFAOYSA-N 1 2 273.380 2.022 20 30 CEEDLO C#CCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000265914842 190217190 /nfs/dbraw/zinc/21/71/90/190217190.db2.gz JMUBXALSXGAZGW-UHFFFAOYSA-N 1 2 298.346 2.107 20 30 CEEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000294692113 378012550 /nfs/dbraw/zinc/01/25/50/378012550.db2.gz CJBLZNYTXITAII-OAHLLOKOSA-N 1 2 287.363 2.221 20 30 CEEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000294692113 378012555 /nfs/dbraw/zinc/01/25/55/378012555.db2.gz CJBLZNYTXITAII-OAHLLOKOSA-N 1 2 287.363 2.221 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2F)C1=O ZINC000294605630 378000296 /nfs/dbraw/zinc/00/02/96/378000296.db2.gz IGGXIOPJERWMMA-HNNXBMFYSA-N 1 2 292.354 2.053 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2F)C1=O ZINC000294605630 378000299 /nfs/dbraw/zinc/00/02/99/378000299.db2.gz IGGXIOPJERWMMA-HNNXBMFYSA-N 1 2 292.354 2.053 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)OC ZINC000266033112 190224955 /nfs/dbraw/zinc/22/49/55/190224955.db2.gz STDJGRCSGACSIB-GFCCVEGCSA-N 1 2 258.321 2.108 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)OC ZINC000266033112 190224956 /nfs/dbraw/zinc/22/49/56/190224956.db2.gz STDJGRCSGACSIB-GFCCVEGCSA-N 1 2 258.321 2.108 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2[nH+]1 ZINC000448622684 378176643 /nfs/dbraw/zinc/17/66/43/378176643.db2.gz ATYPCFAJEVNJMR-RMLUDKJBSA-N 1 2 254.293 2.360 20 30 CEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448723888 378182063 /nfs/dbraw/zinc/18/20/63/378182063.db2.gz CTDLNUMUFPPUHC-DYVFJYSZSA-N 1 2 298.390 2.238 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000449818241 378235775 /nfs/dbraw/zinc/23/57/75/378235775.db2.gz KULQJOQHVXAGFC-LRDDRELGSA-N 1 2 280.331 2.038 20 30 CEEDLO N#Cc1cccc(C2([NH2+]Cc3cn(CC4CC4)nn3)CC2)c1 ZINC000574519780 299502821 /nfs/dbraw/zinc/50/28/21/299502821.db2.gz DZJLDIGCIBRWPG-UHFFFAOYSA-N 1 2 293.374 2.339 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(C#N)cc1F ZINC000347176493 218146428 /nfs/dbraw/zinc/14/64/28/218146428.db2.gz VZBHGZGUWRPLGC-ZJUUUORDSA-N 1 2 273.315 2.238 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)c1nc[nH+]c(N)c1Cl ZINC000302794167 379455107 /nfs/dbraw/zinc/45/51/07/379455107.db2.gz NQBSVNBCSBJKEE-UHFFFAOYSA-N 1 2 273.727 2.220 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]cnc(N)c1Cl ZINC000302794167 379455112 /nfs/dbraw/zinc/45/51/12/379455112.db2.gz NQBSVNBCSBJKEE-UHFFFAOYSA-N 1 2 273.727 2.220 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000520490737 379476185 /nfs/dbraw/zinc/47/61/85/379476185.db2.gz RZJZFTHTFWDDQZ-GFCCVEGCSA-N 1 2 269.348 2.272 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000520490737 379476191 /nfs/dbraw/zinc/47/61/91/379476191.db2.gz RZJZFTHTFWDDQZ-GFCCVEGCSA-N 1 2 269.348 2.272 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000266890122 190287844 /nfs/dbraw/zinc/28/78/44/190287844.db2.gz CLICXOYUCZLBQC-LLVKDONJSA-N 1 2 255.321 2.352 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000266890122 190287845 /nfs/dbraw/zinc/28/78/45/190287845.db2.gz CLICXOYUCZLBQC-LLVKDONJSA-N 1 2 255.321 2.352 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000266965697 190294587 /nfs/dbraw/zinc/29/45/87/190294587.db2.gz YGKZRSWZYMWLLZ-LBPRGKRZSA-N 1 2 296.378 2.214 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000266965697 190294588 /nfs/dbraw/zinc/29/45/88/190294588.db2.gz YGKZRSWZYMWLLZ-LBPRGKRZSA-N 1 2 296.378 2.214 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000526990903 379717801 /nfs/dbraw/zinc/71/78/01/379717801.db2.gz QBCYWVGHHULHER-OAHLLOKOSA-N 1 2 270.336 2.304 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528367378 379949348 /nfs/dbraw/zinc/94/93/48/379949348.db2.gz RLAOIGNFQZXBQB-DZGCQCFKSA-N 1 2 277.412 2.402 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528367378 379949350 /nfs/dbraw/zinc/94/93/50/379949350.db2.gz RLAOIGNFQZXBQB-DZGCQCFKSA-N 1 2 277.412 2.402 20 30 CEEDLO CS[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459510463 380063984 /nfs/dbraw/zinc/06/39/84/380063984.db2.gz LZLGMFZSFPPJJB-NSHDSACASA-N 1 2 277.349 2.404 20 30 CEEDLO CS[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459510463 380063988 /nfs/dbraw/zinc/06/39/88/380063988.db2.gz LZLGMFZSFPPJJB-NSHDSACASA-N 1 2 277.349 2.404 20 30 CEEDLO C=CC[N@@H+]([C@H](C)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000541221078 380270557 /nfs/dbraw/zinc/27/05/57/380270557.db2.gz 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/nfs/dbraw/zinc/69/28/27/394692827.db2.gz UPMIAYBJQMFEIL-GJZGRUSLSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000268322954 394692829 /nfs/dbraw/zinc/69/28/29/394692829.db2.gz UPMIAYBJQMFEIL-GJZGRUSLSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1cc(C)c(C#N)c(N(C)CCCn2cc[nH+]c2)n1 ZINC000268950392 394703772 /nfs/dbraw/zinc/70/37/72/394703772.db2.gz HSZMEPUHSIOFBK-UHFFFAOYSA-N 1 2 269.352 2.293 20 30 CEEDLO CCC[N@@H+](CC#N)CCc1ccc2c(c1)OCCO2 ZINC000360016918 394784702 /nfs/dbraw/zinc/78/47/02/394784702.db2.gz PHGCTMABCDOLHO-UHFFFAOYSA-N 1 2 260.337 2.236 20 30 CEEDLO CCC[N@H+](CC#N)CCc1ccc2c(c1)OCCO2 ZINC000360016918 394784705 /nfs/dbraw/zinc/78/47/05/394784705.db2.gz PHGCTMABCDOLHO-UHFFFAOYSA-N 1 2 260.337 2.236 20 30 CEEDLO CC(C)(C)C(=O)N1CCC(C[N@H+](CC#N)C2CC2)CC1 ZINC000360050376 394785666 /nfs/dbraw/zinc/78/56/66/394785666.db2.gz AWZHKNHWXCCZAO-UHFFFAOYSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)(C)C(=O)N1CCC(C[N@@H+](CC#N)C2CC2)CC1 ZINC000360050376 394785669 /nfs/dbraw/zinc/78/56/69/394785669.db2.gz AWZHKNHWXCCZAO-UHFFFAOYSA-N 1 2 277.412 2.259 20 30 CEEDLO N#CCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000121760660 394803835 /nfs/dbraw/zinc/80/38/35/394803835.db2.gz NFNFKYUAZSNRPW-CHWSQXEVSA-N 1 2 280.393 2.176 20 30 CEEDLO N#CCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000121760660 394803838 /nfs/dbraw/zinc/80/38/38/394803838.db2.gz NFNFKYUAZSNRPW-CHWSQXEVSA-N 1 2 280.393 2.176 20 30 CEEDLO N#CCCCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000360769914 394807502 /nfs/dbraw/zinc/80/75/02/394807502.db2.gz SDVMOMZLAJFOCC-UHFFFAOYSA-N 1 2 268.320 2.387 20 30 CEEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)[C@H]1CCOC1 ZINC000361054966 394813645 /nfs/dbraw/zinc/81/36/45/394813645.db2.gz UWAQWHZDFZAOHH-NSHDSACASA-N 1 2 251.355 2.014 20 30 CEEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCOC1 ZINC000361054966 394813647 /nfs/dbraw/zinc/81/36/47/394813647.db2.gz UWAQWHZDFZAOHH-NSHDSACASA-N 1 2 251.355 2.014 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H](C)Cc1ccccc1C)C(=O)OC 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N#CCCOCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000338958936 394934323 /nfs/dbraw/zinc/93/43/23/394934323.db2.gz WNNFCDJLTQLRJI-HNNXBMFYSA-N 1 2 296.317 2.268 20 30 CEEDLO N#Cc1cccc(NCCc2cn3ccccc3[nH+]2)n1 ZINC000339216600 394952795 /nfs/dbraw/zinc/95/27/95/394952795.db2.gz ISQRUDATJGGJRW-UHFFFAOYSA-N 1 2 263.304 2.256 20 30 CEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000286007191 394999218 /nfs/dbraw/zinc/99/92/18/394999218.db2.gz GQBWHRACMZGJPL-UHFFFAOYSA-N 1 2 294.424 2.118 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000286007191 394999220 /nfs/dbraw/zinc/99/92/20/394999220.db2.gz GQBWHRACMZGJPL-UHFFFAOYSA-N 1 2 294.424 2.118 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000286461426 395022560 /nfs/dbraw/zinc/02/25/60/395022560.db2.gz KKEZPVYOZFVMMX-SECBINFHSA-N 1 2 271.666 2.166 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000286461426 395022563 /nfs/dbraw/zinc/02/25/63/395022563.db2.gz KKEZPVYOZFVMMX-SECBINFHSA-N 1 2 271.666 2.166 20 30 CEEDLO C=CCn1c(C)nnc1SCc1c[nH+]ccc1OC ZINC000286666905 395026177 /nfs/dbraw/zinc/02/61/77/395026177.db2.gz RTFDQTQPCPILSQ-UHFFFAOYSA-N 1 2 276.365 2.468 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000339762574 394971015 /nfs/dbraw/zinc/97/10/15/394971015.db2.gz CMPYNQIEGLRVPX-JTQLQIEISA-N 1 2 266.291 2.247 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000339762574 394971019 /nfs/dbraw/zinc/97/10/19/394971019.db2.gz CMPYNQIEGLRVPX-JTQLQIEISA-N 1 2 266.291 2.247 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000416702935 395067947 /nfs/dbraw/zinc/06/79/47/395067947.db2.gz ZNYWXLBSWNVLEL-CYBMUJFWSA-N 1 2 298.390 2.332 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000289362974 395076131 /nfs/dbraw/zinc/07/61/31/395076131.db2.gz KQGMROKATXBPFT-JTQLQIEISA-N 1 2 285.796 2.245 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1[nH]ncc1C ZINC000289441573 395077816 /nfs/dbraw/zinc/07/78/16/395077816.db2.gz FYYMSQPYRRIEKD-UHFFFAOYSA-N 1 2 255.321 2.020 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1n[nH]cc1C ZINC000289441573 395077819 /nfs/dbraw/zinc/07/78/19/395077819.db2.gz FYYMSQPYRRIEKD-UHFFFAOYSA-N 1 2 255.321 2.020 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[NH2+]CC(C)(C)C#N ZINC000168921906 395089144 /nfs/dbraw/zinc/08/91/44/395089144.db2.gz UHYVGBBTGNGYFN-UHFFFAOYSA-N 1 2 278.352 2.352 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000375227556 395091013 /nfs/dbraw/zinc/09/10/13/395091013.db2.gz CIRRKHRPSUGOLK-HZPDHXFCSA-N 1 2 284.359 2.128 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000375227556 395091017 /nfs/dbraw/zinc/09/10/17/395091017.db2.gz CIRRKHRPSUGOLK-HZPDHXFCSA-N 1 2 284.359 2.128 20 30 CEEDLO Cc1cc(N2CCC(F)(C#N)CC2)nc(C2CC2)[nH+]1 ZINC000343222350 395034220 /nfs/dbraw/zinc/03/42/20/395034220.db2.gz NFHYCNQNFVTENP-UHFFFAOYSA-N 1 2 260.316 2.495 20 30 CEEDLO CCN(CC#N)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372452920 395042521 /nfs/dbraw/zinc/04/25/21/395042521.db2.gz APAYZMLBHIUSAT-NSHDSACASA-N 1 2 274.368 2.010 20 30 CEEDLO CCN(CC#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372452920 395042525 /nfs/dbraw/zinc/04/25/25/395042525.db2.gz APAYZMLBHIUSAT-NSHDSACASA-N 1 2 274.368 2.010 20 30 CEEDLO COCCCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000174121074 395120469 /nfs/dbraw/zinc/12/04/69/395120469.db2.gz BYWLXBXAMSWMSK-UHFFFAOYSA-N 1 2 271.386 2.100 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000174221405 395121530 /nfs/dbraw/zinc/12/15/30/395121530.db2.gz UGRDXHNLAYNMKT-NSHDSACASA-N 1 2 295.339 2.445 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(C#N)cccc1C#N ZINC000436305141 395106874 /nfs/dbraw/zinc/10/68/74/395106874.db2.gz IDLIQMWAIGSRGH-NSHDSACASA-N 1 2 251.293 2.127 20 30 CEEDLO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000376151038 395110480 /nfs/dbraw/zinc/11/04/80/395110480.db2.gz PSRSKWFRDJZJMB-IIAWOOMASA-N 1 2 261.413 2.485 20 30 CEEDLO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000376151038 395110486 /nfs/dbraw/zinc/11/04/86/395110486.db2.gz PSRSKWFRDJZJMB-IIAWOOMASA-N 1 2 261.413 2.485 20 30 CEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000291795787 395161996 /nfs/dbraw/zinc/16/19/96/395161996.db2.gz JFEHQZMJLAWGPF-CYBMUJFWSA-N 1 2 266.304 2.006 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349235858 395162903 /nfs/dbraw/zinc/16/29/03/395162903.db2.gz CHLLEHCTUABGTG-NWDGAFQWSA-N 1 2 265.357 2.138 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C#N)o2)c1C ZINC000429820413 395158486 /nfs/dbraw/zinc/15/84/86/395158486.db2.gz YBSPZFMRGNTHJK-UHFFFAOYSA-N 1 2 299.330 2.444 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000292930566 395210300 /nfs/dbraw/zinc/21/03/00/395210300.db2.gz IXNLJRQLTMGFNX-CQSZACIVSA-N 1 2 278.783 2.172 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000292930566 395210307 /nfs/dbraw/zinc/21/03/07/395210307.db2.gz IXNLJRQLTMGFNX-CQSZACIVSA-N 1 2 278.783 2.172 20 30 CEEDLO C[S@](=O)C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000183115903 395251907 /nfs/dbraw/zinc/25/19/07/395251907.db2.gz KSODPMNNXUCREF-KPHUOKFYSA-N 1 2 289.404 2.139 20 30 CEEDLO CC(C)OCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000181606445 395221044 /nfs/dbraw/zinc/22/10/44/395221044.db2.gz WOUZJUXUNUARNH-UHFFFAOYSA-N 1 2 258.268 2.027 20 30 CEEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352463486 395256827 /nfs/dbraw/zinc/25/68/27/395256827.db2.gz JXCJKQXDFTWDGK-CYBMUJFWSA-N 1 2 283.391 2.207 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000435382631 395366965 /nfs/dbraw/zinc/36/69/65/395366965.db2.gz BDBJPDALBZFGRY-UHFFFAOYSA-N 1 2 280.287 2.037 20 30 CEEDLO CCN1CC[N@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000411527747 395329917 /nfs/dbraw/zinc/32/99/17/395329917.db2.gz QWHRKLPAQBRRQI-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO CCN1CC[N@@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000411527747 395329920 /nfs/dbraw/zinc/32/99/20/395329920.db2.gz QWHRKLPAQBRRQI-UHFFFAOYSA-N 1 2 263.385 2.015 20 30 CEEDLO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ncn(C)n1 ZINC000411605243 395332597 /nfs/dbraw/zinc/33/25/97/395332597.db2.gz PSSWMSQMUVQQNT-LBPRGKRZSA-N 1 2 261.373 2.330 20 30 CEEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000193269354 395405998 /nfs/dbraw/zinc/40/59/98/395405998.db2.gz DAGSFEAWZFUVKH-UONOGXRCSA-N 1 2 286.379 2.412 20 30 CEEDLO C[C@@H](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000567991218 395543784 /nfs/dbraw/zinc/54/37/84/395543784.db2.gz MHJIKZJPBYQLOF-IPYPFGDCSA-N 1 2 274.368 2.423 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2cnn(C)c2C)no1 ZINC000568104919 395548612 /nfs/dbraw/zinc/54/86/12/395548612.db2.gz JAQMYYPBBFNOMD-NSHDSACASA-N 1 2 273.340 2.165 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(CCC#N)CC3CC3)ccn12 ZINC000568191033 395550372 /nfs/dbraw/zinc/55/03/72/395550372.db2.gz XHZPTKCSEDYKCQ-UHFFFAOYSA-N 1 2 282.347 2.409 20 30 CEEDLO Cc1cc(C[NH+]2CCC(c3n[nH]c(=O)o3)CC2)ccc1C#N ZINC000450917579 395581024 /nfs/dbraw/zinc/58/10/24/395581024.db2.gz DOJVNXOMKDDSHM-UHFFFAOYSA-N 1 2 298.346 2.335 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccccc1C(F)(F)F ZINC000570021792 395581210 /nfs/dbraw/zinc/58/12/10/395581210.db2.gz UPMNRFIMECKVBU-CYBMUJFWSA-N 1 2 299.296 2.279 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000570635716 395583016 /nfs/dbraw/zinc/58/30/16/395583016.db2.gz TUYQQMQQCXSTMX-OIISXLGYSA-N 1 2 285.391 2.140 20 30 CEEDLO CCc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1C ZINC000572029791 395585451 /nfs/dbraw/zinc/58/54/51/395585451.db2.gz WTDBMNLVCRIYKC-INIZCTEOSA-N 1 2 275.396 2.176 20 30 CEEDLO CCc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1C ZINC000572029791 395585454 /nfs/dbraw/zinc/58/54/54/395585454.db2.gz WTDBMNLVCRIYKC-INIZCTEOSA-N 1 2 275.396 2.176 20 30 CEEDLO CO[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459426689 395666145 /nfs/dbraw/zinc/66/61/45/395666145.db2.gz DLUMYGBKEIHPAV-WCQYABFASA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459426689 395666146 /nfs/dbraw/zinc/66/61/46/395666146.db2.gz DLUMYGBKEIHPAV-WCQYABFASA-N 1 2 289.335 2.466 20 30 CEEDLO CC(C)(C)OC(=O)C1C[NH+](Cc2cc(C#N)cs2)C1 ZINC000459593275 395666445 /nfs/dbraw/zinc/66/64/45/395666445.db2.gz ODPIUSBYJPGGQI-UHFFFAOYSA-N 1 2 278.377 2.393 20 30 CEEDLO Cc1nc(NCc2[nH+]ccn2CC(F)(F)F)ccc1C#N ZINC000488128634 395668087 /nfs/dbraw/zinc/66/80/87/395668087.db2.gz SKNACQHBHMNDJN-UHFFFAOYSA-N 1 2 295.268 2.055 20 30 CEEDLO Cc1nc(N2CCC(c3c[nH]c[nH+]3)CC2)ccc1C#N ZINC000488130547 395668105 /nfs/dbraw/zinc/66/81/05/395668105.db2.gz SPOGSMRNLPAEDF-UHFFFAOYSA-N 1 2 267.336 2.369 20 30 CEEDLO Cc1nc(N2CCC(c3c[nH+]c[nH]3)CC2)ccc1C#N ZINC000488130547 395668106 /nfs/dbraw/zinc/66/81/06/395668106.db2.gz SPOGSMRNLPAEDF-UHFFFAOYSA-N 1 2 267.336 2.369 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000491475444 395669985 /nfs/dbraw/zinc/66/99/85/395669985.db2.gz WWMKXSATUVNZBZ-SNVBAGLBSA-N 1 2 295.180 2.341 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000491475444 395669986 /nfs/dbraw/zinc/66/99/86/395669986.db2.gz WWMKXSATUVNZBZ-SNVBAGLBSA-N 1 2 295.180 2.341 20 30 CEEDLO Cc1ccnc(N2CCCN(c3cccc[nH+]3)CC2)c1C#N ZINC000375187052 157062735 /nfs/dbraw/zinc/06/27/35/157062735.db2.gz LNKGTVSMCQVVNH-UHFFFAOYSA-N 1 2 293.374 2.373 20 30 CEEDLO Cc1ccc(C#N)c(NCc2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000376114878 157186493 /nfs/dbraw/zinc/18/64/93/157186493.db2.gz MQZBWOTWEGSGDP-UHFFFAOYSA-N 1 2 290.330 2.455 20 30 CEEDLO C[C@H]1CCN(c2cc(C#N)ccn2)C[C@@H]1n1cc[nH+]c1 ZINC000376397043 157219604 /nfs/dbraw/zinc/21/96/04/157219604.db2.gz QLJYVRQTGGZOAE-JSGCOSHPSA-N 1 2 267.336 2.237 20 30 CEEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccnc1 ZINC000182030358 165362236 /nfs/dbraw/zinc/36/22/36/165362236.db2.gz KEIOJJSJLPVPRR-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccnc1 ZINC000182030358 165362241 /nfs/dbraw/zinc/36/22/41/165362241.db2.gz KEIOJJSJLPVPRR-UHFFFAOYSA-N 1 2 277.331 2.233 20 30 CEEDLO Cc1nnc(SCCCn2cc[nH+]c2)c(C#N)c1C ZINC000185514985 165460441 /nfs/dbraw/zinc/46/04/41/165460441.db2.gz JNQBSVDZCQNEPI-UHFFFAOYSA-N 1 2 273.365 2.344 20 30 CEEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCCC#N ZINC000007682809 170297188 /nfs/dbraw/zinc/29/71/88/170297188.db2.gz UWEROIVHHFFNFW-UHFFFAOYSA-N 1 2 259.353 2.478 20 30 CEEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCC#N ZINC000007682809 170297189 /nfs/dbraw/zinc/29/71/89/170297189.db2.gz UWEROIVHHFFNFW-UHFFFAOYSA-N 1 2 259.353 2.478 20 30 CEEDLO C[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329729793 287256539 /nfs/dbraw/zinc/25/65/39/287256539.db2.gz PIFHNBWZWOIAKX-GHMZBOCLSA-N 1 2 262.357 2.055 20 30 CEEDLO C[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329729793 287256541 /nfs/dbraw/zinc/25/65/41/287256541.db2.gz PIFHNBWZWOIAKX-GHMZBOCLSA-N 1 2 262.357 2.055 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(OC)no1 ZINC000660536236 414862578 /nfs/dbraw/zinc/86/25/78/414862578.db2.gz FRWAKFNBDUMBEF-UHFFFAOYSA-N 1 2 292.335 2.347 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(OC)no1 ZINC000660536236 414862586 /nfs/dbraw/zinc/86/25/86/414862586.db2.gz FRWAKFNBDUMBEF-UHFFFAOYSA-N 1 2 292.335 2.347 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2nn(C)c3ccccc23)nn1 ZINC000657434544 414935890 /nfs/dbraw/zinc/93/58/90/414935890.db2.gz IQBZIZXHRDIDGP-UHFFFAOYSA-N 1 2 296.378 2.031 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2c(C)onc2CC)nn1 ZINC000657475580 414957844 /nfs/dbraw/zinc/95/78/44/414957844.db2.gz YHZCBUUKAMXHKM-UHFFFAOYSA-N 1 2 275.356 2.003 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660764688 414966194 /nfs/dbraw/zinc/96/61/94/414966194.db2.gz QPXIOHFMWXPMTO-GJZGRUSLSA-N 1 2 286.379 2.153 20 30 CEEDLO C=CCC[C@H](O)C[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660764688 414966200 /nfs/dbraw/zinc/96/62/00/414966200.db2.gz QPXIOHFMWXPMTO-GJZGRUSLSA-N 1 2 286.379 2.153 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2CCc3c2cccc3O)nn1 ZINC000653712482 415081150 /nfs/dbraw/zinc/08/11/50/415081150.db2.gz HXOHPGDHWCREAE-HNNXBMFYSA-N 1 2 284.363 2.337 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)nn1 ZINC000657814515 415092904 /nfs/dbraw/zinc/09/29/04/415092904.db2.gz CMBUUBMUQAPLNL-CJNGLKHVSA-N 1 2 286.379 2.066 20 30 CEEDLO CC#CCN(C)c1nc(C)[nH+]c(C)c1Br ZINC000663944256 415097777 /nfs/dbraw/zinc/09/77/77/415097777.db2.gz GAFHGRFLXSIFRA-UHFFFAOYSA-N 1 2 268.158 2.315 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)nn1 ZINC000653811676 415115892 /nfs/dbraw/zinc/11/58/92/415115892.db2.gz TWJKLNMLSRJAJF-INIZCTEOSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)nn1 ZINC000653811676 415115898 /nfs/dbraw/zinc/11/58/98/415115898.db2.gz TWJKLNMLSRJAJF-INIZCTEOSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)nn1 ZINC000653811677 415116328 /nfs/dbraw/zinc/11/63/28/415116328.db2.gz TWJKLNMLSRJAJF-MRXNPFEDSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)nn1 ZINC000653811677 415116331 /nfs/dbraw/zinc/11/63/31/415116331.db2.gz TWJKLNMLSRJAJF-MRXNPFEDSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000661384511 415236547 /nfs/dbraw/zinc/23/65/47/415236547.db2.gz JFIHEGGRCUUMFJ-GFCCVEGCSA-N 1 2 263.389 2.216 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cc2nnn(C(C)(C)C)n2)C1 ZINC000661384511 415236554 /nfs/dbraw/zinc/23/65/54/415236554.db2.gz JFIHEGGRCUUMFJ-GFCCVEGCSA-N 1 2 263.389 2.216 20 30 CEEDLO C=CCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000661569847 415333816 /nfs/dbraw/zinc/33/38/16/415333816.db2.gz UWIYIFSKHXRQMU-UHFFFAOYSA-N 1 2 258.325 2.018 20 30 CEEDLO C=CCC[C@H](CC)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000655796883 415477095 /nfs/dbraw/zinc/47/70/95/415477095.db2.gz JZWWXZKSSNCBOO-NWDGAFQWSA-N 1 2 264.373 2.491 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[nH]1)C1CC1 ZINC000655797933 415478029 /nfs/dbraw/zinc/47/80/29/415478029.db2.gz SDVRAZBHEINPIB-CHWSQXEVSA-N 1 2 276.384 2.491 20 30 CEEDLO COCC[N@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000071226897 176090260 /nfs/dbraw/zinc/09/02/60/176090260.db2.gz VVTBLUZTNGTMBZ-UHFFFAOYSA-N 1 2 278.327 2.261 20 30 CEEDLO COCC[N@@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000071226897 176090262 /nfs/dbraw/zinc/09/02/62/176090262.db2.gz VVTBLUZTNGTMBZ-UHFFFAOYSA-N 1 2 278.327 2.261 20 30 CEEDLO CCN(CC)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000078643652 177365040 /nfs/dbraw/zinc/36/50/40/177365040.db2.gz FHTRPKIKZROAEJ-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO CCN(CC)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000078643652 177365041 /nfs/dbraw/zinc/36/50/41/177365041.db2.gz FHTRPKIKZROAEJ-UHFFFAOYSA-N 1 2 253.390 2.117 20 30 CEEDLO C[N@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000078645756 177365635 /nfs/dbraw/zinc/36/56/35/177365635.db2.gz AGTHLVPYPIHEJH-UHFFFAOYSA-N 1 2 266.728 2.457 20 30 CEEDLO C[N@@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000078645756 177365636 /nfs/dbraw/zinc/36/56/36/177365636.db2.gz AGTHLVPYPIHEJH-UHFFFAOYSA-N 1 2 266.728 2.457 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nnc(C)[nH]1 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C#C[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)C ZINC000297973961 260140021 /nfs/dbraw/zinc/14/00/21/260140021.db2.gz MCQJTGSLVMHHHQ-CHWSQXEVSA-N 1 2 274.368 2.304 20 30 CEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)CCn1cc[nH+]c1 ZINC000299694923 260190544 /nfs/dbraw/zinc/19/05/44/260190544.db2.gz XOAWYDFKQXPASW-UHFFFAOYSA-N 1 2 285.322 2.074 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cnccn2)CC1 ZINC000375671751 260673804 /nfs/dbraw/zinc/67/38/04/260673804.db2.gz JIOKVINAUVAZGK-ZDUSSCGKSA-N 1 2 269.352 2.100 20 30 CEEDLO N#CCCN(Cc1cn2ccccc2[nH+]1)CC1CC1 ZINC000176256269 261644825 /nfs/dbraw/zinc/64/48/25/261644825.db2.gz NMUQHFHXYHZOEA-UHFFFAOYSA-N 1 2 254.337 2.460 20 30 CEEDLO C#CC[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000491774390 262028665 /nfs/dbraw/zinc/02/86/65/262028665.db2.gz WCUKDIFQHRHOQS-UHFFFAOYSA-N 1 2 253.305 2.334 20 30 CEEDLO C#CC[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000491774390 262028666 /nfs/dbraw/zinc/02/86/66/262028666.db2.gz WCUKDIFQHRHOQS-UHFFFAOYSA-N 1 2 253.305 2.334 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000364059097 262127958 /nfs/dbraw/zinc/12/79/58/262127958.db2.gz VYOPWHPDVGGJGP-AAEUAGOBSA-N 1 2 261.369 2.225 20 30 CEEDLO NC(=[NH+]OCCOCC(F)F)c1cccc(Cl)c1 ZINC000189216355 262169252 /nfs/dbraw/zinc/16/92/52/262169252.db2.gz PLDKORCIYQEZQI-UHFFFAOYSA-N 1 2 278.686 2.259 20 30 CEEDLO C#Cc1cccc(N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000364434283 262239071 /nfs/dbraw/zinc/23/90/71/262239071.db2.gz ITIQYPSUZCRLBI-HNNXBMFYSA-N 1 2 293.370 2.480 20 30 CEEDLO C=CCC1(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCC1 ZINC000364571741 262254800 /nfs/dbraw/zinc/25/48/00/262254800.db2.gz AEZAOVJNSBWLJL-CYBMUJFWSA-N 1 2 273.380 2.482 20 30 CEEDLO C[C@H](C#N)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000336696125 262380806 /nfs/dbraw/zinc/38/08/06/262380806.db2.gz CKSOGEVCNITXKU-SECBINFHSA-N 1 2 260.263 2.037 20 30 CEEDLO Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC000268283161 262950837 /nfs/dbraw/zinc/95/08/37/262950837.db2.gz GQBKEAPVWOFHGH-LSDHHAIUSA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC000268283161 262950838 /nfs/dbraw/zinc/95/08/38/262950838.db2.gz GQBKEAPVWOFHGH-LSDHHAIUSA-N 1 2 276.380 2.277 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272079493 263002224 /nfs/dbraw/zinc/00/22/24/263002224.db2.gz WDOYTODBFAMXQP-ZDUSSCGKSA-N 1 2 294.358 2.257 20 30 CEEDLO COc1cc(C)[nH+]c(CO/N=C2/CCCOCC2)c1 ZINC000272254482 263002886 /nfs/dbraw/zinc/00/28/86/263002886.db2.gz YYWQNJUECWYUTB-VBKFSLOCSA-N 1 2 264.325 2.472 20 30 CEEDLO Cc1nc(CCO[NH+]=C(N)COc2ccccc2)cs1 ZINC000272530448 263006040 /nfs/dbraw/zinc/00/60/40/263006040.db2.gz OTAVANZWUJGOPY-UHFFFAOYSA-N 1 2 291.376 2.362 20 30 CEEDLO N#CCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273035020 263011131 /nfs/dbraw/zinc/01/11/31/263011131.db2.gz VHVPMDAJCZAWKO-JTQLQIEISA-N 1 2 272.274 2.452 20 30 CEEDLO N#CCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000273035020 263011132 /nfs/dbraw/zinc/01/11/32/263011132.db2.gz VHVPMDAJCZAWKO-JTQLQIEISA-N 1 2 272.274 2.452 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000273824779 263019595 /nfs/dbraw/zinc/01/95/95/263019595.db2.gz DOFJEIVOJRHGCT-JTQLQIEISA-N 1 2 263.370 2.190 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)CC#N ZINC000275054925 263032323 /nfs/dbraw/zinc/03/23/23/263032323.db2.gz MEBZOZBVKNWPDW-CYBMUJFWSA-N 1 2 282.347 2.249 20 30 CEEDLO CCC[N@H+](CC#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282624684 263077740 /nfs/dbraw/zinc/07/77/40/263077740.db2.gz AJJVBOORYWWHOS-OAHLLOKOSA-N 1 2 285.391 2.384 20 30 CEEDLO CCC[N@@H+](CC#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282624684 263077741 /nfs/dbraw/zinc/07/77/41/263077741.db2.gz AJJVBOORYWWHOS-OAHLLOKOSA-N 1 2 285.391 2.384 20 30 CEEDLO NC(=[NH+]OCCSCc1ccccc1)[C@@H]1CCCO1 ZINC000284399390 263086667 /nfs/dbraw/zinc/08/66/67/263086667.db2.gz MZGKICOJVUKYSB-ZDUSSCGKSA-N 1 2 280.393 2.388 20 30 CEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000284378305 263086725 /nfs/dbraw/zinc/08/67/25/263086725.db2.gz LVXCIRADZLCANW-SKDRFNHKSA-N 1 2 279.296 2.124 20 30 CEEDLO NC(=[NH+]OCc1coc(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000284502316 263087148 /nfs/dbraw/zinc/08/71/48/263087148.db2.gz SZKLTSBGHSNSMU-ZDUSSCGKSA-N 1 2 287.319 2.309 20 30 CEEDLO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284554982 263087311 /nfs/dbraw/zinc/08/73/11/263087311.db2.gz WBLCYEPNWGCJEL-CQSZACIVSA-N 1 2 287.363 2.456 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285559676 263094387 /nfs/dbraw/zinc/09/43/87/263094387.db2.gz FSUIACGBNLTNDQ-GZBFAFLISA-N 1 2 274.368 2.232 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000292187769 263129273 /nfs/dbraw/zinc/12/92/73/263129273.db2.gz MVTOJPNLYFBWOB-UHFFFAOYSA-N 1 2 255.321 2.339 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000292187769 263129274 /nfs/dbraw/zinc/12/92/74/263129274.db2.gz MVTOJPNLYFBWOB-UHFFFAOYSA-N 1 2 255.321 2.339 20 30 CEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000293576488 263143514 /nfs/dbraw/zinc/14/35/14/263143514.db2.gz SWWVAZSGGYXDJW-JSGCOSHPSA-N 1 2 289.404 2.198 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CC#N)cc1)C1CC1 ZINC000341722749 263347696 /nfs/dbraw/zinc/34/76/96/263347696.db2.gz VWZVGGKKFJPPRD-HNNXBMFYSA-N 1 2 294.358 2.367 20 30 CEEDLO C=CCCN(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000342179067 263393545 /nfs/dbraw/zinc/39/35/45/263393545.db2.gz GLMVPDQTXWKYSJ-CYBMUJFWSA-N 1 2 276.384 2.286 20 30 CEEDLO C=CCCN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000342188807 263396951 /nfs/dbraw/zinc/39/69/51/263396951.db2.gz ZLVDDOZCNYRWKH-UHFFFAOYSA-N 1 2 264.373 2.257 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000330823068 264047748 /nfs/dbraw/zinc/04/77/48/264047748.db2.gz GMMBLAMMQWCMOK-CYBMUJFWSA-N 1 2 275.377 2.205 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000330823068 264047750 /nfs/dbraw/zinc/04/77/50/264047750.db2.gz GMMBLAMMQWCMOK-CYBMUJFWSA-N 1 2 275.377 2.205 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1 ZINC000330821832 264047927 /nfs/dbraw/zinc/04/79/27/264047927.db2.gz HJRNYHKGEQEGCO-SCRDCRAPSA-N 1 2 257.337 2.295 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1C#N ZINC000330835323 264051372 /nfs/dbraw/zinc/05/13/72/264051372.db2.gz LKNVOZGMAVDVDR-YUTCNCBUSA-N 1 2 282.347 2.167 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000330788040 264053569 /nfs/dbraw/zinc/05/35/69/264053569.db2.gz YBGFAFPRZQFVMN-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(C#N)c1 ZINC000330852418 264068772 /nfs/dbraw/zinc/06/87/72/264068772.db2.gz QRMOOICLXAMGJY-WHOFXGATSA-N 1 2 282.347 2.167 20 30 CEEDLO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCS2)c[nH+]1 ZINC000330933191 264096804 /nfs/dbraw/zinc/09/68/04/264096804.db2.gz ZTROFUWDLFWGPW-GFCCVEGCSA-N 1 2 294.424 2.047 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000331114673 264127771 /nfs/dbraw/zinc/12/77/71/264127771.db2.gz DBNCOKNMXNRPIW-ZDUSSCGKSA-N 1 2 276.384 2.016 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)nn(C)c1C ZINC000331114673 264127773 /nfs/dbraw/zinc/12/77/73/264127773.db2.gz DBNCOKNMXNRPIW-ZDUSSCGKSA-N 1 2 276.384 2.016 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000331146221 264137911 /nfs/dbraw/zinc/13/79/11/264137911.db2.gz NOSSJFZIDNLKCB-MNOVXSKESA-N 1 2 251.330 2.318 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc([C@@H](C)OC)no1 ZINC000331146221 264137913 /nfs/dbraw/zinc/13/79/13/264137913.db2.gz NOSSJFZIDNLKCB-MNOVXSKESA-N 1 2 251.330 2.318 20 30 CEEDLO COCCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331226738 264150656 /nfs/dbraw/zinc/15/06/56/264150656.db2.gz CXMSRLRHFOJYPD-UHFFFAOYSA-N 1 2 251.330 2.369 20 30 CEEDLO CNC(=O)C(C)(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331241172 264177246 /nfs/dbraw/zinc/17/72/46/264177246.db2.gz QBGIKKCIQKPNAD-UHFFFAOYSA-N 1 2 292.383 2.105 20 30 CEEDLO CSC[C@](C)(O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331334558 264192809 /nfs/dbraw/zinc/19/28/09/264192809.db2.gz PUNXBVOSLWSVJR-CQSZACIVSA-N 1 2 297.424 2.447 20 30 CEEDLO CCc1cncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331340453 264195061 /nfs/dbraw/zinc/19/50/61/264195061.db2.gz JZXXTOXAGQYCAT-UHFFFAOYSA-N 1 2 291.395 2.059 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)CCCO)c(C)[nH+]1 ZINC000331302407 264200081 /nfs/dbraw/zinc/20/00/81/264200081.db2.gz FGMPLBIKTZARDL-SNVBAGLBSA-N 1 2 265.357 2.494 20 30 CEEDLO Cn1ncc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C(F)(F)F ZINC000331355728 264207331 /nfs/dbraw/zinc/20/73/31/264207331.db2.gz RAOSOJOEYSDSJJ-PSASIEDQSA-N 1 2 272.274 2.221 20 30 CEEDLO Cn1ncc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1C(F)(F)F ZINC000331355729 264207406 /nfs/dbraw/zinc/20/74/06/264207406.db2.gz RAOSOJOEYSDSJJ-SCZZXKLOSA-N 1 2 272.274 2.221 20 30 CEEDLO CCO[C@H]1C[C@]([NH2+]CCCCC#N)(C(=O)OC)C1(C)C ZINC000189852111 264335602 /nfs/dbraw/zinc/33/56/02/264335602.db2.gz IKMFMTYERCYBPM-WFASDCNBSA-N 1 2 282.384 2.017 20 30 CEEDLO C=CCOc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000285912178 264564078 /nfs/dbraw/zinc/56/40/78/264564078.db2.gz KZLKSDRJUVSADW-UHFFFAOYSA-N 1 2 285.347 2.154 20 30 CEEDLO CC#CC[N@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000293003058 264907292 /nfs/dbraw/zinc/90/72/92/264907292.db2.gz CYVDUTNQULLHGX-UHFFFAOYSA-N 1 2 279.405 2.114 20 30 CEEDLO CC#CC[N@@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000293003058 264907295 /nfs/dbraw/zinc/90/72/95/264907295.db2.gz CYVDUTNQULLHGX-UHFFFAOYSA-N 1 2 279.405 2.114 20 30 CEEDLO C=CCN(Cc1[nH+]ccn1C)Cc1cccc(C#N)c1 ZINC000299636951 265609811 /nfs/dbraw/zinc/60/98/11/265609811.db2.gz VAKZNFVJUCZMCU-UHFFFAOYSA-N 1 2 266.348 2.480 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000357917062 266384670 /nfs/dbraw/zinc/38/46/70/266384670.db2.gz ILBJGQXBJHVSNK-ZDUSSCGKSA-N 1 2 253.390 2.256 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000357917062 266384672 /nfs/dbraw/zinc/38/46/72/266384672.db2.gz ILBJGQXBJHVSNK-ZDUSSCGKSA-N 1 2 253.390 2.256 20 30 CEEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(CC#N)cc2)n1 ZINC000357942868 266387757 /nfs/dbraw/zinc/38/77/57/266387757.db2.gz GEFLAOCUDVQHMR-UHFFFAOYSA-N 1 2 279.303 2.127 20 30 CEEDLO C#CC[C@@H](C)NC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000371388869 267397158 /nfs/dbraw/zinc/39/71/58/267397158.db2.gz OZQPMCSWDZTURC-CYBMUJFWSA-N 1 2 296.374 2.298 20 30 CEEDLO Cc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)no1 ZINC000376595632 267999039 /nfs/dbraw/zinc/99/90/39/267999039.db2.gz PFTIXJMJPRMBBO-UHFFFAOYSA-N 1 2 282.347 2.435 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000488291834 268099032 /nfs/dbraw/zinc/09/90/32/268099032.db2.gz JDSOBPUYAADLJI-SNVBAGLBSA-N 1 2 256.309 2.409 20 30 CEEDLO C=C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000264432243 275420817 /nfs/dbraw/zinc/42/08/17/275420817.db2.gz CNRLAAMXWYEBHH-INIZCTEOSA-N 1 2 281.359 2.316 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329947510 277804574 /nfs/dbraw/zinc/80/45/74/277804574.db2.gz KDIRXDBXWNXOLQ-YRGRVCCFSA-N 1 2 275.352 2.136 20 30 CEEDLO CC[N@@H+](CC(=O)N1CCCCCC1)C[C@H](C#N)CCC#N ZINC000353210117 279049421 /nfs/dbraw/zinc/04/94/21/279049421.db2.gz PFADPQGCMNVRQJ-HNNXBMFYSA-N 1 2 290.411 2.154 20 30 CEEDLO CC[N@H+](CC(=O)N1CCCCCC1)C[C@H](C#N)CCC#N ZINC000353210117 279049423 /nfs/dbraw/zinc/04/94/23/279049423.db2.gz PFADPQGCMNVRQJ-HNNXBMFYSA-N 1 2 290.411 2.154 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nnc2ccccn21 ZINC000135136589 280038456 /nfs/dbraw/zinc/03/84/56/280038456.db2.gz NAJHWYBSLDHSKH-JTQLQIEISA-N 1 2 267.292 2.045 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178837017 280203643 /nfs/dbraw/zinc/20/36/43/280203643.db2.gz GGWXIXYGFXILEB-GFCCVEGCSA-N 1 2 280.331 2.264 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1cc(F)ccc1C#N)CC2 ZINC000373317629 281545505 /nfs/dbraw/zinc/54/55/05/281545505.db2.gz NIOHYUAXJVOVKJ-UHFFFAOYSA-N 1 2 270.311 2.218 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000293474135 294036916 /nfs/dbraw/zinc/03/69/16/294036916.db2.gz RHIVNMQYQOASJK-WPRPVWTQSA-N 1 2 261.325 2.047 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000293474135 294036909 /nfs/dbraw/zinc/03/69/09/294036909.db2.gz RHIVNMQYQOASJK-WPRPVWTQSA-N 1 2 261.325 2.047 20 30 CEEDLO O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329317371 295379669 /nfs/dbraw/zinc/37/96/69/295379669.db2.gz FGWHJERUXQEEEN-MRVWCRGKSA-N 1 2 277.368 2.096 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]2CCC[C@H]21 ZINC000329610669 295384319 /nfs/dbraw/zinc/38/43/19/295384319.db2.gz NUVHUWBGZNPBIL-YWPYICTPSA-N 1 2 288.395 2.446 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]2CCC[C@H]21 ZINC000329610669 295384321 /nfs/dbraw/zinc/38/43/21/295384321.db2.gz NUVHUWBGZNPBIL-YWPYICTPSA-N 1 2 288.395 2.446 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](Nc1ccnc(C#N)c1)c1ccccc1 ZINC000552925457 298483531 /nfs/dbraw/zinc/48/35/31/298483531.db2.gz SEWBSOWKUCQDBZ-INIZCTEOSA-N 1 2 289.342 2.310 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)c2[nH+]ccn21 ZINC000565817580 313838771 /nfs/dbraw/zinc/83/87/71/313838771.db2.gz PZTDLFROXLXTQW-HZMBPMFUSA-N 1 2 298.321 2.259 20 30 CEEDLO C[C@@H]1C[N@@H+](CCSc2cccnc2C#N)C[C@H](C)O1 ZINC000570584050 314047086 /nfs/dbraw/zinc/04/70/86/314047086.db2.gz RJYXQTNAQXVMNS-TXEJJXNPSA-N 1 2 277.393 2.155 20 30 CEEDLO C[C@@H]1C[N@H+](CCSc2cccnc2C#N)C[C@H](C)O1 ZINC000570584050 314047090 /nfs/dbraw/zinc/04/70/90/314047090.db2.gz RJYXQTNAQXVMNS-TXEJJXNPSA-N 1 2 277.393 2.155 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185038104 327836360 /nfs/dbraw/zinc/83/63/60/327836360.db2.gz IOKBHSFTYOMLIX-CMPLNLGQSA-N 1 2 294.424 2.110 20 30 CEEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1c(F)cccc1F ZINC000567995795 328001673 /nfs/dbraw/zinc/00/16/73/328001673.db2.gz VOYVTNLTKGFQPS-BONVTDFDSA-N 1 2 295.333 2.028 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366575401 328115789 /nfs/dbraw/zinc/11/57/89/328115789.db2.gz QJHHQURSLNPERN-NEPJUHHUSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366575401 328115791 /nfs/dbraw/zinc/11/57/91/328115791.db2.gz QJHHQURSLNPERN-NEPJUHHUSA-N 1 2 290.201 2.165 20 30 CEEDLO C=CCCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413234281 328143133 /nfs/dbraw/zinc/14/31/33/328143133.db2.gz QOOCCDDZDRCGIF-ZIAGYGMSSA-N 1 2 290.411 2.452 20 30 CEEDLO C=CCCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413234281 328143135 /nfs/dbraw/zinc/14/31/35/328143135.db2.gz QOOCCDDZDRCGIF-ZIAGYGMSSA-N 1 2 290.411 2.452 20 30 CEEDLO CCSCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000283808751 328244987 /nfs/dbraw/zinc/24/49/87/328244987.db2.gz OMVLIMSOMNMMLN-RIYZIHGNSA-N 1 2 268.382 2.150 20 30 CEEDLO COCC1(CO[NH+]=C(N)COc2ccccc2)CCC1 ZINC000291854563 328266952 /nfs/dbraw/zinc/26/69/52/328266952.db2.gz JXQPYBWLUBQDNP-UHFFFAOYSA-N 1 2 278.352 2.171 20 30 CEEDLO Cc1c[nH+]c(C)nc1N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000580450701 322319223 /nfs/dbraw/zinc/31/92/23/322319223.db2.gz OLBLZJMCSLJCTA-CQSZACIVSA-N 1 2 295.346 2.018 20 30 CEEDLO CCCCc1nnc(NC(=O)C[NH2+][C@@H](CC)CC#N)s1 ZINC000563821529 328521331 /nfs/dbraw/zinc/52/13/31/328521331.db2.gz RRCNJKGVPLMPDW-JTQLQIEISA-N 1 2 295.412 2.101 20 30 CEEDLO C=CCCCS(=O)(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000292779090 328539830 /nfs/dbraw/zinc/53/98/30/328539830.db2.gz XZESRZUIOOVNLB-UHFFFAOYSA-N 1 2 293.392 2.028 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc2ccccc21 ZINC000569412621 327174247 /nfs/dbraw/zinc/17/42/47/327174247.db2.gz ZENQEYZXTJSINM-OAHLLOKOSA-N 1 2 287.388 2.475 20 30 CEEDLO CO[C@@H](C)c1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000583378850 327333839 /nfs/dbraw/zinc/33/38/39/327333839.db2.gz PREARMOMZDNCEH-NSHDSACASA-N 1 2 278.356 2.293 20 30 CEEDLO C[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(=O)N1c1ccccc1 ZINC000561475712 327397871 /nfs/dbraw/zinc/39/78/71/327397871.db2.gz XLSNYBGFJWZUOS-FMKPAKJESA-N 1 2 296.374 2.214 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2n1C ZINC000570676956 327610434 /nfs/dbraw/zinc/61/04/34/327610434.db2.gz BHGZXPOPDNCJIH-WCQYABFASA-N 1 2 282.347 2.304 20 30 CEEDLO C=CCCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000156963415 327612668 /nfs/dbraw/zinc/61/26/68/327612668.db2.gz ZULCZTKGHJYUEM-UHFFFAOYSA-N 1 2 299.378 2.487 20 30 CEEDLO C=CCOCCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000519820799 328698187 /nfs/dbraw/zinc/69/81/87/328698187.db2.gz BKIAYRVAPWZIQG-UHFFFAOYSA-N 1 2 265.357 2.052 20 30 CEEDLO C=CCCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486456 329016496 /nfs/dbraw/zinc/01/64/96/329016496.db2.gz UWXKNLTUVHKHMH-GFCCVEGCSA-N 1 2 264.373 2.436 20 30 CEEDLO C=CCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486456 329016498 /nfs/dbraw/zinc/01/64/98/329016498.db2.gz UWXKNLTUVHKHMH-GFCCVEGCSA-N 1 2 264.373 2.436 20 30 CEEDLO CCc1nc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000377501696 329017058 /nfs/dbraw/zinc/01/70/58/329017058.db2.gz XEBQKWUEPZTWKW-OLZOCXBDSA-N 1 2 287.367 2.255 20 30 CEEDLO CCc1nc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)no1 ZINC000377501696 329017059 /nfs/dbraw/zinc/01/70/59/329017059.db2.gz XEBQKWUEPZTWKW-OLZOCXBDSA-N 1 2 287.367 2.255 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CCC[C@H]1c1[nH+]ccn1C)OCC ZINC000378550601 329054740 /nfs/dbraw/zinc/05/47/40/329054740.db2.gz ZEGPBBIRAVNRIT-KBPBESRZSA-N 1 2 291.395 2.455 20 30 CEEDLO CC1(C#N)CCN(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000378611594 329056724 /nfs/dbraw/zinc/05/67/24/329056724.db2.gz YAGJDBARBQHFEN-UHFFFAOYSA-N 1 2 267.336 2.397 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000582760152 329150615 /nfs/dbraw/zinc/15/06/15/329150615.db2.gz PZAUBRPKPZRURT-INIZCTEOSA-N 1 2 288.395 2.331 20 30 CEEDLO C=CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000321235606 329331288 /nfs/dbraw/zinc/33/12/88/329331288.db2.gz NLYPSPUVFYPNRB-LBPRGKRZSA-N 1 2 295.346 2.164 20 30 CEEDLO C=C(Cl)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189653113 329385907 /nfs/dbraw/zinc/38/59/07/329385907.db2.gz SKPKJLXRYJVTAW-UHFFFAOYSA-N 1 2 266.776 2.162 20 30 CEEDLO N#CCC[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000583747812 329472507 /nfs/dbraw/zinc/47/25/07/329472507.db2.gz FLIQRCVCLVOHKM-UHFFFAOYSA-N 1 2 259.231 2.026 20 30 CEEDLO C=CCC[C@@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000420071103 329755019 /nfs/dbraw/zinc/75/50/19/329755019.db2.gz XOHPRGGSHARYBB-ZDUSSCGKSA-N 1 2 273.336 2.085 20 30 CEEDLO C#Cc1cccc(NC(=O)C2([NH+]3CCOCC3)CCCC2)c1 ZINC000074043285 329863358 /nfs/dbraw/zinc/86/33/58/329863358.db2.gz VHASLIULMGTGDE-UHFFFAOYSA-N 1 2 298.386 2.251 20 30 CEEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000279057367 330121478 /nfs/dbraw/zinc/12/14/78/330121478.db2.gz ICVXYJBRTWTDMV-UHFFFAOYSA-N 1 2 283.368 2.250 20 30 CEEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000279057367 330121480 /nfs/dbraw/zinc/12/14/80/330121480.db2.gz ICVXYJBRTWTDMV-UHFFFAOYSA-N 1 2 283.368 2.250 20 30 CEEDLO CCCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC ZINC000446766950 330853906 /nfs/dbraw/zinc/85/39/06/330853906.db2.gz TYJURKMYGGKTKZ-XQQFMLRXSA-N 1 2 252.358 2.390 20 30 CEEDLO Cc1nc(CN2CC[NH+](CC3(C#N)CCC3)CC2)cs1 ZINC000450229870 330967551 /nfs/dbraw/zinc/96/75/51/330967551.db2.gz DSNXSKLIXKHZBQ-UHFFFAOYSA-N 1 2 290.436 2.263 20 30 CEEDLO N#CC1(CN2CC[NH+](Cc3ccco3)CC2)CCC1 ZINC000450234874 330967795 /nfs/dbraw/zinc/96/77/95/330967795.db2.gz VOWVKBPRUWHWMB-UHFFFAOYSA-N 1 2 259.353 2.091 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000450899075 331005790 /nfs/dbraw/zinc/00/57/90/331005790.db2.gz SFNJPEGJTJQYCO-ZDUSSCGKSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CCC[C@@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000450899075 331005791 /nfs/dbraw/zinc/00/57/91/331005791.db2.gz SFNJPEGJTJQYCO-ZDUSSCGKSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CCOCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452357482 331063081 /nfs/dbraw/zinc/06/30/81/331063081.db2.gz ROIHOEWRQHJSLW-UHFFFAOYSA-N 1 2 285.347 2.442 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453183118 331098313 /nfs/dbraw/zinc/09/83/13/331098313.db2.gz NKOZMWZEVVLTHI-ZDUSSCGKSA-N 1 2 298.390 2.040 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000456095810 331184212 /nfs/dbraw/zinc/18/42/12/331184212.db2.gz HMTLDAPTWBPDBH-HNNXBMFYSA-N 1 2 296.374 2.292 20 30 CEEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)OCC ZINC000456440957 331192761 /nfs/dbraw/zinc/19/27/61/331192761.db2.gz YSUOARQJMQNIJA-AGIUHOORSA-N 1 2 277.368 2.376 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456441060 331192802 /nfs/dbraw/zinc/19/28/02/331192802.db2.gz ZCFAHEQJFOEJBE-VXGBXAGGSA-N 1 2 270.336 2.306 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456860904 331207792 /nfs/dbraw/zinc/20/77/92/331207792.db2.gz OCCJGTBSIGZBPZ-CYBMUJFWSA-N 1 2 262.353 2.296 20 30 CEEDLO C=C(CC)CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000459069851 331268928 /nfs/dbraw/zinc/26/89/28/331268928.db2.gz FLCWMXHYLZGEDQ-KGLIPLIRSA-N 1 2 276.384 2.442 20 30 CEEDLO C=CCN(Cc1ccccc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459193221 331271546 /nfs/dbraw/zinc/27/15/46/331271546.db2.gz ZUNVZNCHVXQQNO-UHFFFAOYSA-N 1 2 298.390 2.360 20 30 CEEDLO CCc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000459457194 331282413 /nfs/dbraw/zinc/28/24/13/331282413.db2.gz CVHMCEFZVHFOPM-DZGCQCFKSA-N 1 2 271.364 2.469 20 30 CEEDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459485789 331284512 /nfs/dbraw/zinc/28/45/12/331284512.db2.gz UERODJSFHNUPLZ-MFKMUULPSA-N 1 2 275.308 2.385 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000489402513 332050143 /nfs/dbraw/zinc/05/01/43/332050143.db2.gz MJTBCIDWYJCHQU-HNNXBMFYSA-N 1 2 286.375 2.026 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000489402513 332050145 /nfs/dbraw/zinc/05/01/45/332050145.db2.gz MJTBCIDWYJCHQU-HNNXBMFYSA-N 1 2 286.375 2.026 20 30 CEEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000490914188 332128339 /nfs/dbraw/zinc/12/83/39/332128339.db2.gz HNONASRRVCYAJL-GFCCVEGCSA-N 1 2 267.373 2.231 20 30 CEEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000490914188 332128341 /nfs/dbraw/zinc/12/83/41/332128341.db2.gz HNONASRRVCYAJL-GFCCVEGCSA-N 1 2 267.373 2.231 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000491015135 332139250 /nfs/dbraw/zinc/13/92/50/332139250.db2.gz WIKSSHPMNAVDLK-INIZCTEOSA-N 1 2 296.374 2.329 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000491288384 332182113 /nfs/dbraw/zinc/18/21/13/332182113.db2.gz RMOPZEPGQBHTME-VIFPVBQESA-N 1 2 289.301 2.123 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000491288384 332182115 /nfs/dbraw/zinc/18/21/15/332182115.db2.gz RMOPZEPGQBHTME-VIFPVBQESA-N 1 2 289.301 2.123 20 30 CEEDLO C#CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CCCC1 ZINC000491326784 332190983 /nfs/dbraw/zinc/19/09/83/332190983.db2.gz QEPBIXQIOBXTQF-UHFFFAOYSA-N 1 2 260.385 2.480 20 30 CEEDLO C#CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CCCC1 ZINC000491326784 332190984 /nfs/dbraw/zinc/19/09/84/332190984.db2.gz QEPBIXQIOBXTQF-UHFFFAOYSA-N 1 2 260.385 2.480 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000491371090 332198660 /nfs/dbraw/zinc/19/86/60/332198660.db2.gz CKIYPEDSIIPFBV-VIFPVBQESA-N 1 2 266.272 2.196 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000491371090 332198661 /nfs/dbraw/zinc/19/86/61/332198661.db2.gz CKIYPEDSIIPFBV-VIFPVBQESA-N 1 2 266.272 2.196 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000491450717 332213073 /nfs/dbraw/zinc/21/30/73/332213073.db2.gz BSDXAVDPASVNHJ-HIFRSBDPSA-N 1 2 283.375 2.046 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000491450717 332213074 /nfs/dbraw/zinc/21/30/74/332213074.db2.gz BSDXAVDPASVNHJ-HIFRSBDPSA-N 1 2 283.375 2.046 20 30 CEEDLO C#C[C@H](CC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491495245 332222476 /nfs/dbraw/zinc/22/24/76/332222476.db2.gz HTAAFCQMZMMGAA-OAHLLOKOSA-N 1 2 267.332 2.073 20 30 CEEDLO C#C[C@@H](CC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491495244 332222525 /nfs/dbraw/zinc/22/25/25/332222525.db2.gz HTAAFCQMZMMGAA-HNNXBMFYSA-N 1 2 267.332 2.073 20 30 CEEDLO C#C[C@H](NC(=O)NCCCCn1cc[nH+]c1)C(C)(C)C ZINC000491545542 332235015 /nfs/dbraw/zinc/23/50/15/332235015.db2.gz QVYGZTHJZMWMNX-ZDUSSCGKSA-N 1 2 276.384 2.010 20 30 CEEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000491635038 332256086 /nfs/dbraw/zinc/25/60/86/332256086.db2.gz RELWWHPPPHTBHN-CQSZACIVSA-N 1 2 287.750 2.107 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000491742775 332321183 /nfs/dbraw/zinc/32/11/83/332321183.db2.gz LWVDIAUBSYLYRP-OLZOCXBDSA-N 1 2 250.386 2.182 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000491742775 332321184 /nfs/dbraw/zinc/32/11/84/332321184.db2.gz LWVDIAUBSYLYRP-OLZOCXBDSA-N 1 2 250.386 2.182 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491749295 332326447 /nfs/dbraw/zinc/32/64/47/332326447.db2.gz QAPZROUFAXIGNE-AWEZNQCLSA-N 1 2 282.347 2.083 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000491753936 332329306 /nfs/dbraw/zinc/32/93/06/332329306.db2.gz QNVJRKQFMQTBGY-JTQLQIEISA-N 1 2 282.290 2.180 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000491753936 332329307 /nfs/dbraw/zinc/32/93/07/332329307.db2.gz QNVJRKQFMQTBGY-JTQLQIEISA-N 1 2 282.290 2.180 20 30 CEEDLO C#C[C@H](CC)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000491775353 332341265 /nfs/dbraw/zinc/34/12/65/332341265.db2.gz FBPMOGMRNRVUNN-MRXNPFEDSA-N 1 2 296.374 2.142 20 30 CEEDLO CC#CCCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000185986786 333152980 /nfs/dbraw/zinc/15/29/80/333152980.db2.gz WZEOOSTXHCEAAG-UHFFFAOYSA-N 1 2 259.353 2.304 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000564352716 334159541 /nfs/dbraw/zinc/15/95/41/334159541.db2.gz SXDSKUGCOJPFNG-GOEBONIOSA-N 1 2 299.374 2.354 20 30 CEEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309799 334642099 /nfs/dbraw/zinc/64/20/99/334642099.db2.gz STXNSEXYRMUCGT-JMSVASOKSA-N 1 2 291.420 2.120 20 30 CEEDLO C=CCN(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000153871692 334681683 /nfs/dbraw/zinc/68/16/83/334681683.db2.gz CEFKAWJSXNAWHM-UHFFFAOYSA-N 1 2 284.363 2.259 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569116077 334856356 /nfs/dbraw/zinc/85/63/56/334856356.db2.gz FPUJMCXQRSZHHQ-ZBFHGGJFSA-N 1 2 296.374 2.336 20 30 CEEDLO C[C@H](CC1CCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580571549 335285572 /nfs/dbraw/zinc/28/55/72/335285572.db2.gz NHUMTCDODCRBCS-DOMZBBRYSA-N 1 2 265.401 2.163 20 30 CEEDLO Cc1ccc(NC(=O)N2CCC(C#N)CC2)c(C)[nH+]1 ZINC000176707669 335325407 /nfs/dbraw/zinc/32/54/07/335325407.db2.gz QVMUYZNLDAPASB-UHFFFAOYSA-N 1 2 258.325 2.466 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000581377421 336064427 /nfs/dbraw/zinc/06/44/27/336064427.db2.gz CERPRRWPPYUZRN-AWEZNQCLSA-N 1 2 295.427 2.124 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581729506 336139056 /nfs/dbraw/zinc/13/90/56/336139056.db2.gz ACQPSARRVKRLCS-UMVBOHGHSA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581729505 336139091 /nfs/dbraw/zinc/13/90/91/336139091.db2.gz ACQPSARRVKRLCS-NFAWXSAZSA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1nnnn1-c1ccccc1 ZINC000331483120 533985482 /nfs/dbraw/zinc/98/54/82/533985482.db2.gz FITPQWJEQPWFBF-SGMGOOAPSA-N 1 2 282.351 2.005 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000356053870 534447958 /nfs/dbraw/zinc/44/79/58/534447958.db2.gz BFBNXYRCYRPYCA-SNVBAGLBSA-N 1 2 289.364 2.086 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000356053870 534447964 /nfs/dbraw/zinc/44/79/64/534447964.db2.gz BFBNXYRCYRPYCA-SNVBAGLBSA-N 1 2 289.364 2.086 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)C3(C#N)CCOCC3)cc2[nH+]1 ZINC000344455530 534655830 /nfs/dbraw/zinc/65/58/30/534655830.db2.gz UAELAAFEWUJLKR-UHFFFAOYSA-N 1 2 284.319 2.130 20 30 CEEDLO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cc1 ZINC000333678321 534718244 /nfs/dbraw/zinc/71/82/44/534718244.db2.gz KMVLFTIZQZEBEG-CQSZACIVSA-N 1 2 297.362 2.304 20 30 CEEDLO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cc1 ZINC000333678321 534718250 /nfs/dbraw/zinc/71/82/50/534718250.db2.gz KMVLFTIZQZEBEG-CQSZACIVSA-N 1 2 297.362 2.304 20 30 CEEDLO Cn1cc(Br)c(C[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000334679415 534725575 /nfs/dbraw/zinc/72/55/75/534725575.db2.gz YUFNMXICZJEQSK-ZJUUUORDSA-N 1 2 297.200 2.355 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)CCO1 ZINC000330327140 534813707 /nfs/dbraw/zinc/81/37/07/534813707.db2.gz KRKHQLSUVUSGMX-XBFCOCLRSA-N 1 2 293.367 2.166 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](F)(c3ccccc3)C2)C1=O ZINC000367220497 526511882 /nfs/dbraw/zinc/51/18/82/526511882.db2.gz VKNVYFJACYKHRP-RDJZCZTQSA-N 1 2 288.366 2.344 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](F)(c3ccccc3)C2)C1=O ZINC000367220497 526511890 /nfs/dbraw/zinc/51/18/90/526511890.db2.gz VKNVYFJACYKHRP-RDJZCZTQSA-N 1 2 288.366 2.344 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)C(F)(F)F ZINC000352804708 526559715 /nfs/dbraw/zinc/55/97/15/526559715.db2.gz QFTHDCYZIDYNNW-LBPRGKRZSA-N 1 2 293.285 2.073 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)C(F)(F)F ZINC000352804708 526559719 /nfs/dbraw/zinc/55/97/19/526559719.db2.gz QFTHDCYZIDYNNW-LBPRGKRZSA-N 1 2 293.285 2.073 20 30 CEEDLO C=CCOCC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000354639008 526704038 /nfs/dbraw/zinc/70/40/38/526704038.db2.gz WCFKECSSAPYPFT-UHFFFAOYSA-N 1 2 287.363 2.054 20 30 CEEDLO C=CC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329238889 526974062 /nfs/dbraw/zinc/97/40/62/526974062.db2.gz LNSBWHMWCFLJLS-UHFFFAOYSA-N 1 2 282.347 2.306 20 30 CEEDLO C=CC[C@@H](CO)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351923565 527067509 /nfs/dbraw/zinc/06/75/09/527067509.db2.gz YAPQTDBCVKNFNV-GFCCVEGCSA-N 1 2 263.341 2.005 20 30 CEEDLO C=CCn1c(CCCC)nnc1N1CCn2cc[nH+]c2C1 ZINC000350751925 527319388 /nfs/dbraw/zinc/31/93/88/527319388.db2.gz JUULMFXMPNCKPJ-UHFFFAOYSA-N 1 2 286.383 2.023 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)C[C@H](C)C#N ZINC000353289209 527916256 /nfs/dbraw/zinc/91/62/56/527916256.db2.gz YPZUQDNHSMLFMA-ZIAGYGMSSA-N 1 2 273.380 2.345 20 30 CEEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)C[C@H](C)C#N ZINC000353289209 527916263 /nfs/dbraw/zinc/91/62/63/527916263.db2.gz YPZUQDNHSMLFMA-ZIAGYGMSSA-N 1 2 273.380 2.345 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@H](C)C#N)C2 ZINC000355037322 528324791 /nfs/dbraw/zinc/32/47/91/528324791.db2.gz MAUYTLPNXCWLHB-VXGBXAGGSA-N 1 2 288.395 2.256 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@H](C)C#N)CC2 ZINC000355037322 528324793 /nfs/dbraw/zinc/32/47/93/528324793.db2.gz MAUYTLPNXCWLHB-VXGBXAGGSA-N 1 2 288.395 2.256 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000347494648 528691476 /nfs/dbraw/zinc/69/14/76/528691476.db2.gz BVWAMYJDNZTEMX-OAHLLOKOSA-N 1 2 292.427 2.256 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000347494648 528691483 /nfs/dbraw/zinc/69/14/83/528691483.db2.gz BVWAMYJDNZTEMX-OAHLLOKOSA-N 1 2 292.427 2.256 20 30 CEEDLO CC1(C#N)CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000355931900 528834550 /nfs/dbraw/zinc/83/45/50/528834550.db2.gz SHSUHNRLRUTHTH-UHFFFAOYSA-N 1 2 299.365 2.116 20 30 CEEDLO CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)C[C@@H](C)C#N ZINC000352101566 528879311 /nfs/dbraw/zinc/87/93/11/528879311.db2.gz ARBPHDVZQWRVBA-JTQLQIEISA-N 1 2 274.290 2.427 20 30 CEEDLO CC[N@H+](Cc1cnn(CC(F)(F)F)c1)C[C@@H](C)C#N ZINC000352101566 528879313 /nfs/dbraw/zinc/87/93/13/528879313.db2.gz ARBPHDVZQWRVBA-JTQLQIEISA-N 1 2 274.290 2.427 20 30 CEEDLO CCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000330303155 528979703 /nfs/dbraw/zinc/97/97/03/528979703.db2.gz JTMSFDQPTUXFMU-LBPRGKRZSA-N 1 2 277.368 2.361 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000190818722 535424502 /nfs/dbraw/zinc/42/45/02/535424502.db2.gz ZZMDJVABSULGPJ-GFCCVEGCSA-N 1 2 272.348 2.474 20 30 CEEDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000190818722 535424503 /nfs/dbraw/zinc/42/45/03/535424503.db2.gz ZZMDJVABSULGPJ-GFCCVEGCSA-N 1 2 272.348 2.474 20 30 CEEDLO CCOc1ccc(/C=[NH+]\C[C@H](C)C(=O)OC)c(O)c1 ZINC000726119435 574423895 /nfs/dbraw/zinc/42/38/95/574423895.db2.gz YQYPPVVYSCQIDI-QNKACBJSSA-N 1 2 265.309 2.019 20 30 CEEDLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000020887414 649893190 /nfs/dbraw/zinc/89/31/90/649893190.db2.gz KMGVNZAFONEEDV-GXTWGEPZSA-N 1 2 289.379 2.018 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC)c1 ZINC000730095324 574501129 /nfs/dbraw/zinc/50/11/29/574501129.db2.gz AXRANZYBHQMPOJ-HNNXBMFYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC)c1 ZINC000730095324 574501130 /nfs/dbraw/zinc/50/11/30/574501130.db2.gz AXRANZYBHQMPOJ-HNNXBMFYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000730277087 574513347 /nfs/dbraw/zinc/51/33/47/574513347.db2.gz JZAXJNXOIHEKNX-LBPRGKRZSA-N 1 2 275.377 2.057 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000730277087 574513348 /nfs/dbraw/zinc/51/33/48/574513348.db2.gz JZAXJNXOIHEKNX-LBPRGKRZSA-N 1 2 275.377 2.057 20 30 CEEDLO Cc1cccn2cc(COC(=O)c3ccc(C#N)cn3)[nH+]c12 ZINC000730894328 574583450 /nfs/dbraw/zinc/58/34/50/574583450.db2.gz KJRCYUGYAXFNLL-UHFFFAOYSA-N 1 2 292.298 2.266 20 30 CEEDLO C=C(C)COC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248625 574593091 /nfs/dbraw/zinc/59/30/91/574593091.db2.gz HPLWZTXTHJLXLT-INIZCTEOSA-N 1 2 289.375 2.304 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)N(C)C)c(O)c1 ZINC000731561183 574598398 /nfs/dbraw/zinc/59/83/98/574598398.db2.gz RUHLOVKAVQXSQD-UHFFFAOYSA-N 1 2 294.424 2.008 20 30 CEEDLO N#CCOc1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733969545 574696043 /nfs/dbraw/zinc/69/60/43/574696043.db2.gz LMKDAEVNGJNJTK-UHFFFAOYSA-N 1 2 292.298 2.489 20 30 CEEDLO C=CC[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000734653115 574724166 /nfs/dbraw/zinc/72/41/66/574724166.db2.gz ZCXITWFMEURAMH-ZFWWWQNUSA-N 1 2 299.378 2.283 20 30 CEEDLO Cc1cc(NCCNc2ccc(C#N)cn2)nc(C2CC2)[nH+]1 ZINC000734834654 574732711 /nfs/dbraw/zinc/73/27/11/574732711.db2.gz BPKOXTVKSCYMAH-UHFFFAOYSA-N 1 2 294.362 2.453 20 30 CEEDLO C=C(Cl)CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000736245837 574780045 /nfs/dbraw/zinc/78/00/45/574780045.db2.gz AEGWSSJCULKRBQ-LBPRGKRZSA-N 1 2 278.783 2.302 20 30 CEEDLO C=C(Cl)CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000736245837 574780046 /nfs/dbraw/zinc/78/00/46/574780046.db2.gz AEGWSSJCULKRBQ-LBPRGKRZSA-N 1 2 278.783 2.302 20 30 CEEDLO Cc1noc([C@H](C)O[NH+]=C(N)c2ccc(Cl)cc2)n1 ZINC000736297336 574781198 /nfs/dbraw/zinc/78/11/98/574781198.db2.gz WHUJQSDLSXWUSO-ZETCQYMHSA-N 1 2 280.715 2.430 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)CC12CCC2 ZINC000743347641 575049819 /nfs/dbraw/zinc/04/98/19/575049819.db2.gz DUNGRWWOWXOJDK-UHFFFAOYSA-N 1 2 269.348 2.103 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)CC12CCC2 ZINC000743347641 575049821 /nfs/dbraw/zinc/04/98/21/575049821.db2.gz DUNGRWWOWXOJDK-UHFFFAOYSA-N 1 2 269.348 2.103 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(C#N)ccc1F ZINC000743484019 575104679 /nfs/dbraw/zinc/10/46/79/575104679.db2.gz JXGQXPWBXLAOMP-LBPRGKRZSA-N 1 2 256.284 2.231 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000745083868 575132256 /nfs/dbraw/zinc/13/22/56/575132256.db2.gz YVCXWPUTYGHHQQ-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000745083868 575132258 /nfs/dbraw/zinc/13/22/58/575132258.db2.gz YVCXWPUTYGHHQQ-CQSZACIVSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cn2ccccc2c1C#N ZINC000745082994 575132564 /nfs/dbraw/zinc/13/25/64/575132564.db2.gz SUSARXRABDVTJY-MRXNPFEDSA-N 1 2 297.358 2.338 20 30 CEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cn2ccccc2c1C#N ZINC000745082994 575132566 /nfs/dbraw/zinc/13/25/66/575132566.db2.gz SUSARXRABDVTJY-MRXNPFEDSA-N 1 2 297.358 2.338 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1cc(C)ccc1C ZINC000747630070 575172711 /nfs/dbraw/zinc/17/27/11/575172711.db2.gz LVJVJDOVOIERDS-UHFFFAOYSA-N 1 2 271.324 2.130 20 30 CEEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cnccn3)n21 ZINC000749004206 575202615 /nfs/dbraw/zinc/20/26/15/575202615.db2.gz BDGNRDJXURZVGZ-WAYWQWQTSA-N 1 2 264.288 2.329 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCNC(=O)C(C)(C)C)c(O)c1 ZINC000749452575 575220088 /nfs/dbraw/zinc/22/00/88/575220088.db2.gz PDLXHJAFRZJJPP-BOPFTXTBSA-N 1 2 292.379 2.372 20 30 CEEDLO CCC(CC)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787562 575234121 /nfs/dbraw/zinc/23/41/21/575234121.db2.gz RVHJVKTVNATSDN-SNVBAGLBSA-N 1 2 295.358 2.156 20 30 CEEDLO CCN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787336 575234313 /nfs/dbraw/zinc/23/43/13/575234313.db2.gz KTBRFEQWKNXZKD-JTQLQIEISA-N 1 2 297.786 2.234 20 30 CEEDLO CCC(C)(C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787045 575234418 /nfs/dbraw/zinc/23/44/18/575234418.db2.gz CSSGADBVFZZMGA-JTQLQIEISA-N 1 2 295.358 2.156 20 30 CEEDLO C[C@H]1C[N@H+](CCNc2nc3ccccc3cc2C#N)CCO1 ZINC000750026962 575244243 /nfs/dbraw/zinc/24/42/43/575244243.db2.gz JMDUFQZAIVMNDM-ZDUSSCGKSA-N 1 2 296.374 2.239 20 30 CEEDLO C[C@H]1C[N@@H+](CCNc2nc3ccccc3cc2C#N)CCO1 ZINC000750026962 575244246 /nfs/dbraw/zinc/24/42/46/575244246.db2.gz JMDUFQZAIVMNDM-ZDUSSCGKSA-N 1 2 296.374 2.239 20 30 CEEDLO C=CCSCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750393228 575261080 /nfs/dbraw/zinc/26/10/80/575261080.db2.gz YBCVSCOWFBVZGZ-UHFFFAOYSA-N 1 2 294.424 2.497 20 30 CEEDLO CCCCCCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875422112 649907384 /nfs/dbraw/zinc/90/73/84/649907384.db2.gz JKZPSEOFHZRODW-CYBMUJFWSA-N 1 2 278.400 2.468 20 30 CEEDLO CCCCCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875761542 649952092 /nfs/dbraw/zinc/95/20/92/649952092.db2.gz GZLDDUSMNFTILM-GFCCVEGCSA-N 1 2 264.373 2.077 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC000950489949 612991446 /nfs/dbraw/zinc/99/14/46/612991446.db2.gz MQUVDJVETUNMSL-UHFFFAOYSA-N 1 2 285.391 2.062 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)ccc2F)C1 ZINC000952369118 612991632 /nfs/dbraw/zinc/99/16/32/612991632.db2.gz UZRODTSWKDRGHQ-UHFFFAOYSA-N 1 2 288.366 2.304 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)csc2Cl)CC1 ZINC000957470209 613010463 /nfs/dbraw/zinc/01/04/63/613010463.db2.gz NSICZSAHOABOSD-UHFFFAOYSA-N 1 2 296.823 2.491 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000981147673 613157575 /nfs/dbraw/zinc/15/75/75/613157575.db2.gz XYOUZNINYKYIQN-KGLIPLIRSA-N 1 2 286.375 2.184 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000981147673 613157578 /nfs/dbraw/zinc/15/75/78/613157578.db2.gz XYOUZNINYKYIQN-KGLIPLIRSA-N 1 2 286.375 2.184 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC000950446986 613294744 /nfs/dbraw/zinc/29/47/44/613294744.db2.gz DZCWFSVXPYIEEQ-GJZGRUSLSA-N 1 2 280.412 2.053 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(Cl)cn2C)C1 ZINC000950825605 613295910 /nfs/dbraw/zinc/29/59/10/613295910.db2.gz ZYTKDULYASMVEB-UHFFFAOYSA-N 1 2 295.814 2.401 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C)n2C)C1 ZINC000949674380 613296614 /nfs/dbraw/zinc/29/66/14/613296614.db2.gz FHKQHIGYPRRGAM-UHFFFAOYSA-N 1 2 275.396 2.056 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000949062895 613319994 /nfs/dbraw/zinc/31/99/94/613319994.db2.gz BXVMJKNMIQEUMF-UHFFFAOYSA-N 1 2 290.411 2.041 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000950352148 613321005 /nfs/dbraw/zinc/32/10/05/613321005.db2.gz GOKGNFBTHGNQEB-UHFFFAOYSA-N 1 2 267.760 2.002 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC000980944811 613373170 /nfs/dbraw/zinc/37/31/70/613373170.db2.gz XVOSXQCEGJJQQA-NYYWCZLTSA-N 1 2 256.777 2.239 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC000980944811 613373171 /nfs/dbraw/zinc/37/31/71/613373171.db2.gz XVOSXQCEGJJQQA-NYYWCZLTSA-N 1 2 256.777 2.239 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccn2)C(C)(C)C1 ZINC000972746387 613381216 /nfs/dbraw/zinc/38/12/16/613381216.db2.gz HKVHYQQQCCIRHR-ZDUSSCGKSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccn2)C(C)(C)C1 ZINC000972746387 613381217 /nfs/dbraw/zinc/38/12/17/613381217.db2.gz HKVHYQQQCCIRHR-ZDUSSCGKSA-N 1 2 293.798 2.274 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000951361418 613654432 /nfs/dbraw/zinc/65/44/32/613654432.db2.gz DKXCODIQDHENEE-MRXNPFEDSA-N 1 2 299.418 2.220 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC000952394618 613655291 /nfs/dbraw/zinc/65/52/91/613655291.db2.gz LCBVJGZUMRBAOB-OLZOCXBDSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000970690038 613665772 /nfs/dbraw/zinc/66/57/72/613665772.db2.gz FRQKLNKHBJMQQK-LLVKDONJSA-N 1 2 298.390 2.107 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000957103211 613709552 /nfs/dbraw/zinc/70/95/52/613709552.db2.gz XOYSIOBWOAVWPN-JKSUJKDBSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000949372076 613711725 /nfs/dbraw/zinc/71/17/25/613711725.db2.gz QMXCVFODWMKEAK-FUHWJXTLSA-N 1 2 284.403 2.294 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000949434668 613711841 /nfs/dbraw/zinc/71/18/41/613711841.db2.gz YAWSTNGNWGRFBE-SOUVJXGZSA-N 1 2 262.397 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000957712274 613712184 /nfs/dbraw/zinc/71/21/84/613712184.db2.gz NIDRVFJUVJNWIO-CYBMUJFWSA-N 1 2 276.355 2.259 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cc(F)cc2C)CC1 ZINC000949609903 613714071 /nfs/dbraw/zinc/71/40/71/613714071.db2.gz NVFKEBGDVLKVLS-UHFFFAOYSA-N 1 2 276.355 2.386 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2OC)CC1 ZINC000957829291 613714137 /nfs/dbraw/zinc/71/41/37/613714137.db2.gz BCLMPJZBBOHWSJ-UHFFFAOYSA-N 1 2 299.374 2.120 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000949941327 613716181 /nfs/dbraw/zinc/71/61/81/613716181.db2.gz VXMMQXVSYIXKGK-UHFFFAOYSA-N 1 2 282.746 2.423 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccn2C(C)C)CC1 ZINC000957673745 613717389 /nfs/dbraw/zinc/71/73/89/613717389.db2.gz CEKAXBDBFKHSDY-UHFFFAOYSA-N 1 2 261.369 2.013 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC000972684752 613722307 /nfs/dbraw/zinc/72/23/07/613722307.db2.gz XDRCSZMWVLVBML-KRWDZBQOSA-N 1 2 294.439 2.302 20 30 CEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC000972684752 613722310 /nfs/dbraw/zinc/72/23/10/613722310.db2.gz XDRCSZMWVLVBML-KRWDZBQOSA-N 1 2 294.439 2.302 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000890658030 622761611 /nfs/dbraw/zinc/76/16/11/622761611.db2.gz ZDWMDFKNUIVJNR-INIZCTEOSA-N 1 2 293.370 2.429 20 30 CEEDLO CC(C)OCCNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000778553840 622950812 /nfs/dbraw/zinc/95/08/12/622950812.db2.gz IBKYKXHWHBUNES-UHFFFAOYSA-N 1 2 272.352 2.221 20 30 CEEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001024552952 625631481 /nfs/dbraw/zinc/63/14/81/625631481.db2.gz OANHQRPXKUDHBF-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001024552952 625631486 /nfs/dbraw/zinc/63/14/86/625631486.db2.gz OANHQRPXKUDHBF-JTQLQIEISA-N 1 2 297.811 2.014 20 30 CEEDLO Cc1cc(F)c(C#N)c(N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000891837130 624011638 /nfs/dbraw/zinc/01/16/38/624011638.db2.gz ALZZAASYAFFLBI-GFCCVEGCSA-N 1 2 277.343 2.138 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000891975361 624219942 /nfs/dbraw/zinc/21/99/42/624219942.db2.gz ZWVMMSOYNVQXAS-CQSZACIVSA-N 1 2 286.379 2.081 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000934467955 624513884 /nfs/dbraw/zinc/51/38/84/624513884.db2.gz WPURSYKMAGDCOS-LBPRGKRZSA-N 1 2 290.363 2.251 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000934467955 624513892 /nfs/dbraw/zinc/51/38/92/624513892.db2.gz WPURSYKMAGDCOS-LBPRGKRZSA-N 1 2 290.363 2.251 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000934471998 624520792 /nfs/dbraw/zinc/52/07/92/624520792.db2.gz XWONBVMTCWVDEO-LBPRGKRZSA-N 1 2 290.363 2.293 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000934471998 624520798 /nfs/dbraw/zinc/52/07/98/624520798.db2.gz XWONBVMTCWVDEO-LBPRGKRZSA-N 1 2 290.363 2.293 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158917748 625042894 /nfs/dbraw/zinc/04/28/94/625042894.db2.gz XRHMFOCUOCTZNW-OLZOCXBDSA-N 1 2 284.400 2.177 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158917748 625042903 /nfs/dbraw/zinc/04/29/03/625042903.db2.gz XRHMFOCUOCTZNW-OLZOCXBDSA-N 1 2 284.400 2.177 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017861220 627347706 /nfs/dbraw/zinc/34/77/06/627347706.db2.gz PSELFBYSDNCLOE-WCVJEAGWSA-N 1 2 274.408 2.121 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017861220 627347711 /nfs/dbraw/zinc/34/77/11/627347711.db2.gz PSELFBYSDNCLOE-WCVJEAGWSA-N 1 2 274.408 2.121 20 30 CEEDLO CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(C#N)c1O ZINC000926784719 627360093 /nfs/dbraw/zinc/36/00/93/627360093.db2.gz XWTIIEJZMPYGSM-VXGBXAGGSA-N 1 2 284.306 2.321 20 30 CEEDLO Nc1ccc(C=C2C(=O)c3ccccc3C2=O)c[nH+]1 ZINC000821022421 634605642 /nfs/dbraw/zinc/60/56/42/634605642.db2.gz RCPJDXOGWCYJLQ-UHFFFAOYSA-N 1 2 250.257 2.126 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000852751487 627886067 /nfs/dbraw/zinc/88/60/67/627886067.db2.gz FEEFOJIZPISERM-UHFFFAOYSA-N 1 2 280.299 2.206 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000852751487 627886070 /nfs/dbraw/zinc/88/60/70/627886070.db2.gz FEEFOJIZPISERM-UHFFFAOYSA-N 1 2 280.299 2.206 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000162612921 628376831 /nfs/dbraw/zinc/37/68/31/628376831.db2.gz JMUQVZRBMNQYAX-UHFFFAOYSA-N 1 2 288.141 2.373 20 30 CEEDLO C/C(=C/C(=O)Nc1cc(C)cc(C#N)c1)C[NH+]1CCOCC1 ZINC000909400396 628716592 /nfs/dbraw/zinc/71/65/92/628716592.db2.gz CFPINKBQNCVENG-ZROIWOOFSA-N 1 2 299.374 2.084 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000893545968 628725561 /nfs/dbraw/zinc/72/55/61/628725561.db2.gz ZESCXJTVSIXTME-VIFPVBQESA-N 1 2 286.301 2.416 20 30 CEEDLO CCCNc1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000258806523 628769853 /nfs/dbraw/zinc/76/98/53/628769853.db2.gz UJUPVBKHXLSLDD-UHFFFAOYSA-N 1 2 259.357 2.429 20 30 CEEDLO CCCNc1cc(N2CCC(CC#N)CC2)[nH+]cn1 ZINC000258806523 628769859 /nfs/dbraw/zinc/76/98/59/628769859.db2.gz UJUPVBKHXLSLDD-UHFFFAOYSA-N 1 2 259.357 2.429 20 30 CEEDLO C[C@H]1C[C@H]1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000950034531 628786432 /nfs/dbraw/zinc/78/64/32/628786432.db2.gz NSMZVSGRWWNUJZ-YOEHRIQHSA-N 1 2 297.402 2.249 20 30 CEEDLO C[C@H]1C[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980656571 628795956 /nfs/dbraw/zinc/79/59/56/628795956.db2.gz KWWBDLHULQDYIM-FUHWJXTLSA-N 1 2 296.414 2.228 20 30 CEEDLO C[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980656571 628795959 /nfs/dbraw/zinc/79/59/59/628795959.db2.gz KWWBDLHULQDYIM-FUHWJXTLSA-N 1 2 296.414 2.228 20 30 CEEDLO CC#CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931794643 628846307 /nfs/dbraw/zinc/84/63/07/628846307.db2.gz NTDLQJHVXJQTEN-MRXNPFEDSA-N 1 2 251.333 2.381 20 30 CEEDLO CC#CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931794643 628846312 /nfs/dbraw/zinc/84/63/12/628846312.db2.gz NTDLQJHVXJQTEN-MRXNPFEDSA-N 1 2 251.333 2.381 20 30 CEEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000015452343 629018270 /nfs/dbraw/zinc/01/82/70/629018270.db2.gz USNLDETXCXPMBL-ZDUSSCGKSA-N 1 2 299.399 2.183 20 30 CEEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000015452343 629018274 /nfs/dbraw/zinc/01/82/74/629018274.db2.gz USNLDETXCXPMBL-ZDUSSCGKSA-N 1 2 299.399 2.183 20 30 CEEDLO CC1=C(C)C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000794879194 629344674 /nfs/dbraw/zinc/34/46/74/629344674.db2.gz FSMQYHOLUPJDMV-UHFFFAOYSA-N 1 2 283.375 2.208 20 30 CEEDLO CC1=C(C)C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000794879194 629344736 /nfs/dbraw/zinc/34/47/36/629344736.db2.gz FSMQYHOLUPJDMV-UHFFFAOYSA-N 1 2 283.375 2.208 20 30 CEEDLO Cc1cc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000894370682 629400359 /nfs/dbraw/zinc/40/03/59/629400359.db2.gz ZMVYWLKVRAIMJZ-OKILXGFUSA-N 1 2 299.422 2.475 20 30 CEEDLO C=CC[N@@H+](C)Cc1sc(N2CCOCC2)nc1Cl ZINC000894495312 629496645 /nfs/dbraw/zinc/49/66/45/629496645.db2.gz OGNIQZWBQAVHSW-UHFFFAOYSA-N 1 2 287.816 2.251 20 30 CEEDLO C=CC[N@H+](C)Cc1sc(N2CCOCC2)nc1Cl ZINC000894495312 629496648 /nfs/dbraw/zinc/49/66/48/629496648.db2.gz OGNIQZWBQAVHSW-UHFFFAOYSA-N 1 2 287.816 2.251 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000795327681 629515951 /nfs/dbraw/zinc/51/59/51/629515951.db2.gz AZXCXCLAMGUZLK-CVEARBPZSA-N 1 2 271.360 2.162 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795685194 629655066 /nfs/dbraw/zinc/65/50/66/629655066.db2.gz XBHQBQMYIBCZSQ-CYBMUJFWSA-N 1 2 258.321 2.084 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795685194 629655071 /nfs/dbraw/zinc/65/50/71/629655071.db2.gz XBHQBQMYIBCZSQ-CYBMUJFWSA-N 1 2 258.321 2.084 20 30 CEEDLO N#CC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000895024688 629809498 /nfs/dbraw/zinc/80/94/98/629809498.db2.gz CKTQWECPUWMWDJ-UHFFFAOYSA-N 1 2 252.264 2.454 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821737185 634778655 /nfs/dbraw/zinc/77/86/55/634778655.db2.gz NMGFQZPYSYYBQI-OCCSQVGLSA-N 1 2 271.320 2.026 20 30 CEEDLO C=CCC(C)(C)C(=O)OCCCc1[nH+]ccn1C ZINC000797129654 630141538 /nfs/dbraw/zinc/14/15/38/630141538.db2.gz MERLGXDXXXSJFP-UHFFFAOYSA-N 1 2 250.342 2.498 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821796546 634791833 /nfs/dbraw/zinc/79/18/33/634791833.db2.gz JQAQNCSBNBSQHV-IJLUTSLNSA-N 1 2 296.330 2.443 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821796546 634791836 /nfs/dbraw/zinc/79/18/36/634791836.db2.gz JQAQNCSBNBSQHV-IJLUTSLNSA-N 1 2 296.330 2.443 20 30 CEEDLO C=C(C)C[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OCC ZINC000895592523 630269256 /nfs/dbraw/zinc/26/92/56/630269256.db2.gz RWUVTZDVXDZWJT-GFCCVEGCSA-N 1 2 265.357 2.014 20 30 CEEDLO C=CCC1(O)CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000895827017 630357292 /nfs/dbraw/zinc/35/72/92/630357292.db2.gz HYJQNULBFIOLIT-UHFFFAOYSA-N 1 2 263.385 2.436 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000798036436 630804150 /nfs/dbraw/zinc/80/41/50/630804150.db2.gz XLOMKZWGUZELJL-SWLSCSKDSA-N 1 2 285.347 2.045 20 30 CEEDLO CC#CC[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000897167283 630968361 /nfs/dbraw/zinc/96/83/61/630968361.db2.gz JFLDJFMWLSNSHC-LBPRGKRZSA-N 1 2 250.367 2.450 20 30 CEEDLO CC#CC[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000897167283 630968366 /nfs/dbraw/zinc/96/83/66/630968366.db2.gz JFLDJFMWLSNSHC-LBPRGKRZSA-N 1 2 250.367 2.450 20 30 CEEDLO C[C@H](C#N)OCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000801920994 631355051 /nfs/dbraw/zinc/35/50/51/631355051.db2.gz WANDMIIKBKJDQA-CQSZACIVSA-N 1 2 284.363 2.341 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000801920994 631355054 /nfs/dbraw/zinc/35/50/54/631355054.db2.gz WANDMIIKBKJDQA-CQSZACIVSA-N 1 2 284.363 2.341 20 30 CEEDLO CCCCCCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866960082 631403517 /nfs/dbraw/zinc/40/35/17/631403517.db2.gz JQZZKLMYORKNDO-CMDGGOBGSA-N 1 2 282.428 2.352 20 30 CEEDLO Cn1cc[nH+]c1CCCOC(=O)c1ccccc1OCC#N ZINC000802790081 631461203 /nfs/dbraw/zinc/46/12/03/631461203.db2.gz RQZLGGLCEVUIKY-UHFFFAOYSA-N 1 2 299.330 2.112 20 30 CEEDLO C[C@@]1(C#N)CN(Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000897585190 631796909 /nfs/dbraw/zinc/79/69/09/631796909.db2.gz ROXMWELPLAROHH-CQSZACIVSA-N 1 2 288.376 2.048 20 30 CEEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1cccnc1N ZINC000807990849 631898990 /nfs/dbraw/zinc/89/89/90/631898990.db2.gz NYSBUWGPAZCCOF-UHFFFAOYSA-N 1 2 271.280 2.326 20 30 CEEDLO Cc1[nH+]c[nH]c1CN=Nc1nccnc1C1CCC1 ZINC000807994489 631900041 /nfs/dbraw/zinc/90/00/41/631900041.db2.gz SZDOTQXTCMSSNO-UHFFFAOYSA-N 1 2 256.313 2.222 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808177557 631931874 /nfs/dbraw/zinc/93/18/74/631931874.db2.gz UZPZMHFPBFUWFR-AWEZNQCLSA-N 1 2 273.380 2.457 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808177557 631931876 /nfs/dbraw/zinc/93/18/76/631931876.db2.gz UZPZMHFPBFUWFR-AWEZNQCLSA-N 1 2 273.380 2.457 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808177558 631932087 /nfs/dbraw/zinc/93/20/87/631932087.db2.gz UZPZMHFPBFUWFR-CQSZACIVSA-N 1 2 273.380 2.457 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808177558 631932090 /nfs/dbraw/zinc/93/20/90/631932090.db2.gz UZPZMHFPBFUWFR-CQSZACIVSA-N 1 2 273.380 2.457 20 30 CEEDLO C#Cc1cccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC000897933289 631970960 /nfs/dbraw/zinc/97/09/60/631970960.db2.gz XATGBGLGMXMUEO-UHFFFAOYSA-N 1 2 281.359 2.224 20 30 CEEDLO C[C@H](C#N)CN[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000809640580 632119560 /nfs/dbraw/zinc/11/95/60/632119560.db2.gz XPODODOGUTUXQG-VYDXJSESSA-N 1 2 287.407 2.025 20 30 CEEDLO C[C@H](C#N)CN[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000809640580 632119564 /nfs/dbraw/zinc/11/95/64/632119564.db2.gz XPODODOGUTUXQG-VYDXJSESSA-N 1 2 287.407 2.025 20 30 CEEDLO C=C(Br)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810231774 632197049 /nfs/dbraw/zinc/19/70/49/632197049.db2.gz MSTWMPWICWMEPC-UHFFFAOYSA-N 1 2 295.140 2.364 20 30 CEEDLO C#CCC(C)(C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000810635139 632247569 /nfs/dbraw/zinc/24/75/69/632247569.db2.gz RJMYWEFGSKSERZ-UHFFFAOYSA-N 1 2 256.305 2.427 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)NCCc2ccc(C#N)cc2)c[nH+]1 ZINC000898580734 632549325 /nfs/dbraw/zinc/54/93/25/632549325.db2.gz NLFBTBLGQPUPRK-UHFFFAOYSA-N 1 2 296.374 2.157 20 30 CEEDLO C[N@H+](CC(F)F)C1CCN(c2ncc(C#N)cc2F)CC1 ZINC000840271721 632602824 /nfs/dbraw/zinc/60/28/24/632602824.db2.gz OVCXZCGGTCDNTH-UHFFFAOYSA-N 1 2 298.312 2.258 20 30 CEEDLO C[N@@H+](CC(F)F)C1CCN(c2ncc(C#N)cc2F)CC1 ZINC000840271721 632602828 /nfs/dbraw/zinc/60/28/28/632602828.db2.gz OVCXZCGGTCDNTH-UHFFFAOYSA-N 1 2 298.312 2.258 20 30 CEEDLO C#CCCCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907476 632641349 /nfs/dbraw/zinc/64/13/49/632641349.db2.gz ZPDTYVSFFCAWIH-UHFFFAOYSA-N 1 2 261.369 2.318 20 30 CEEDLO C#CC1(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000899224207 632749934 /nfs/dbraw/zinc/74/99/34/632749934.db2.gz NUSNTYKIUGBBMU-UHFFFAOYSA-N 1 2 293.370 2.477 20 30 CEEDLO CC(=[NH+]NCc1ccc(F)cc1F)c1ccc(N)nc1 ZINC000814829635 632904793 /nfs/dbraw/zinc/90/47/93/632904793.db2.gz CSDBRWNNVADVBF-UHFFFAOYSA-N 1 2 276.290 2.456 20 30 CEEDLO CC(=O)c1ccc(C#N)cc1NCCc1cn(C)c[nH+]1 ZINC000840326689 632910058 /nfs/dbraw/zinc/91/00/58/632910058.db2.gz IHFUUPHIOKUQRC-UHFFFAOYSA-N 1 2 268.320 2.149 20 30 CEEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]OC[C@H]2CCOC2)C1 ZINC000814912403 632923752 /nfs/dbraw/zinc/92/37/52/632923752.db2.gz RSZAZSNILYTBES-VIFPVBQESA-N 1 2 295.408 2.455 20 30 CEEDLO CC(C)OCCO[NH+]=C1CCCc2nc(N)sc21 ZINC000814937084 632936334 /nfs/dbraw/zinc/93/63/34/632936334.db2.gz ULLFFBCWEWPRPG-UHFFFAOYSA-N 1 2 269.370 2.207 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000899900081 633081858 /nfs/dbraw/zinc/08/18/58/633081858.db2.gz IBGRCRFIRWNKJD-WBVHZDCISA-N 1 2 273.376 2.313 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000815988542 633094242 /nfs/dbraw/zinc/09/42/42/633094242.db2.gz NQJQNUJVMVPWMZ-UHFFFAOYSA-N 1 2 292.298 2.266 20 30 CEEDLO C#CCCCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000900641720 633782061 /nfs/dbraw/zinc/78/20/61/633782061.db2.gz AWWRCAWAYLPKPT-UHFFFAOYSA-N 1 2 257.341 2.107 20 30 CEEDLO O[C@@H]1CCCC[C@H]1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000901338587 634053945 /nfs/dbraw/zinc/05/39/45/634053945.db2.gz BJMNUIBELVACKI-HZPDHXFCSA-N 1 2 284.363 2.099 20 30 CEEDLO COc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)on1 ZINC000901512533 634169535 /nfs/dbraw/zinc/16/95/35/634169535.db2.gz NEYIXCDYYHGMFG-PLNGDYQASA-N 1 2 293.348 2.097 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000878803637 651188996 /nfs/dbraw/zinc/18/89/96/651188996.db2.gz FJJZSOWWACQFOM-VIFPVBQESA-N 1 2 295.276 2.471 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(C#N)c1O ZINC000903261181 635034172 /nfs/dbraw/zinc/03/41/72/635034172.db2.gz SYQSOLSAGMMQGE-JJMVLAAESA-N 1 2 272.348 2.482 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC000825078160 635560570 /nfs/dbraw/zinc/56/05/70/635560570.db2.gz WJVIOYGYRMKWLE-HNNXBMFYSA-N 1 2 268.376 2.072 20 30 CEEDLO C#CC[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000826579480 635787970 /nfs/dbraw/zinc/78/79/70/635787970.db2.gz XKIRTWWMLPZKOE-AWEZNQCLSA-N 1 2 270.380 2.317 20 30 CEEDLO C#CC[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000826579480 635787973 /nfs/dbraw/zinc/78/79/73/635787973.db2.gz 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BPNVECUFVGEGIL-UHFFFAOYSA-N 1 2 278.352 2.071 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cc(C)cc(OC)c1O ZINC000754726131 644420285 /nfs/dbraw/zinc/42/02/85/644420285.db2.gz BPNVECUFVGEGIL-UHFFFAOYSA-N 1 2 278.352 2.071 20 30 CEEDLO NC(=O)c1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000755701586 644547542 /nfs/dbraw/zinc/54/75/42/644547542.db2.gz QKZBFCMDLDRVAI-UHFFFAOYSA-N 1 2 290.326 2.202 20 30 CEEDLO COCC[C@@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000755944480 644585771 /nfs/dbraw/zinc/58/57/71/644585771.db2.gz ZNUZIJQTBLUHNR-SECBINFHSA-N 1 2 256.733 2.402 20 30 CEEDLO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cc(F)cc(F)c1O ZINC000756552753 644665003 /nfs/dbraw/zinc/66/50/03/644665003.db2.gz HTBCSZKOXKSXMW-JTQLQIEISA-N 1 2 295.333 2.309 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000757187565 644740056 /nfs/dbraw/zinc/74/00/56/644740056.db2.gz ADZKWGJGKDHSQU-LBPRGKRZSA-N 1 2 270.336 2.246 20 30 CEEDLO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000757696361 644836921 /nfs/dbraw/zinc/83/69/21/644836921.db2.gz PDRVHEINIRQTKM-SCZZXKLOSA-N 1 2 257.280 2.258 20 30 CEEDLO N#Cc1cccn(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1=O ZINC000758234054 644905233 /nfs/dbraw/zinc/90/52/33/644905233.db2.gz BDQDGSHMKASFPJ-ZIAGYGMSSA-N 1 2 289.404 2.037 20 30 CEEDLO N#Cc1cccn(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1=O ZINC000758234054 644905236 /nfs/dbraw/zinc/90/52/36/644905236.db2.gz BDQDGSHMKASFPJ-ZIAGYGMSSA-N 1 2 289.404 2.037 20 30 CEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713023 645067374 /nfs/dbraw/zinc/06/73/74/645067374.db2.gz CXJRMBNPQKELJF-ZDUSSCGKSA-N 1 2 273.336 2.077 20 30 CEEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713023 645067377 /nfs/dbraw/zinc/06/73/77/645067377.db2.gz CXJRMBNPQKELJF-ZDUSSCGKSA-N 1 2 273.336 2.077 20 30 CEEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860251 645084950 /nfs/dbraw/zinc/08/49/50/645084950.db2.gz ZWFMQXKJLHFMCD-HNNXBMFYSA-N 1 2 279.742 2.471 20 30 CEEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759860251 645084951 /nfs/dbraw/zinc/08/49/51/645084951.db2.gz ZWFMQXKJLHFMCD-HNNXBMFYSA-N 1 2 279.742 2.471 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)C[C@H](C)C#N)ccc1C ZINC000878034829 650979560 /nfs/dbraw/zinc/97/95/60/650979560.db2.gz LAAVAJCCGBEPFY-LLVKDONJSA-N 1 2 260.337 2.373 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1C ZINC000878034829 650979561 /nfs/dbraw/zinc/97/95/61/650979561.db2.gz LAAVAJCCGBEPFY-LLVKDONJSA-N 1 2 260.337 2.373 20 30 CEEDLO C#CCC[N@H+](CCc1ccccc1)CC(=O)OCC ZINC000760835021 645198910 /nfs/dbraw/zinc/19/89/10/645198910.db2.gz VPSAMMDMHGYMPG-UHFFFAOYSA-N 1 2 259.349 2.118 20 30 CEEDLO C#CCC[N@@H+](CCc1ccccc1)CC(=O)OCC ZINC000760835021 645198915 /nfs/dbraw/zinc/19/89/15/645198915.db2.gz VPSAMMDMHGYMPG-UHFFFAOYSA-N 1 2 259.349 2.118 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000761117593 645244767 /nfs/dbraw/zinc/24/47/67/645244767.db2.gz JMBGPVSOBAVIGC-AWEZNQCLSA-N 1 2 283.379 2.401 20 30 CEEDLO C=CC[C@@H](C)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000878125911 651007787 /nfs/dbraw/zinc/00/77/87/651007787.db2.gz SDRYRQYPYUPFMZ-MRVPVSSYSA-N 1 2 260.263 2.077 20 30 CEEDLO C=CC[C@@H](C)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000878125911 651007789 /nfs/dbraw/zinc/00/77/89/651007789.db2.gz SDRYRQYPYUPFMZ-MRVPVSSYSA-N 1 2 260.263 2.077 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ncccc1Cl)[C@@H]1CCCO1 ZINC000859257787 645438710 /nfs/dbraw/zinc/43/87/10/645438710.db2.gz FUSJNGLNNNQIGA-AAEUAGOBSA-N 1 2 250.729 2.005 20 30 CEEDLO C=CC[N@@H+](CCCc1ccncc1)CC(=O)OCC ZINC000764954589 645713113 /nfs/dbraw/zinc/71/31/13/645713113.db2.gz UEGRJJVLAPRMCQ-UHFFFAOYSA-N 1 2 262.353 2.065 20 30 CEEDLO C=CC[N@H+](CCCc1ccncc1)CC(=O)OCC ZINC000764954589 645713118 /nfs/dbraw/zinc/71/31/18/645713118.db2.gz UEGRJJVLAPRMCQ-UHFFFAOYSA-N 1 2 262.353 2.065 20 30 CEEDLO CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000766583563 645903236 /nfs/dbraw/zinc/90/32/36/645903236.db2.gz NMISMZLMHMRYAR-HNNXBMFYSA-N 1 2 270.336 2.392 20 30 CEEDLO C#CC[C@H](COC)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000861277650 646098516 /nfs/dbraw/zinc/09/85/16/646098516.db2.gz RDUZRPCOBMZGSV-MRXNPFEDSA-N 1 2 298.342 2.127 20 30 CEEDLO CC(=[NH+]Nc1nc(C)cc(=O)[nH]1)c1ccccc1N(C)C ZINC000769567600 646287629 /nfs/dbraw/zinc/28/76/29/646287629.db2.gz SDFQNJKHDIRLJQ-UHFFFAOYSA-N 1 2 285.351 2.393 20 30 CEEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)C1SC=CC1=O ZINC000769798731 646317864 /nfs/dbraw/zinc/31/78/64/646317864.db2.gz DRWPMXGMOPYMDO-UWVGGRQHSA-N 1 2 278.381 2.038 20 30 CEEDLO C#CC[C@@H]1CC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000862445202 646464005 /nfs/dbraw/zinc/46/40/05/646464005.db2.gz OFSDWCALQSUJLB-LLVKDONJSA-N 1 2 271.286 2.291 20 30 CEEDLO C#CC[C@@H]1CC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000862445202 646464008 /nfs/dbraw/zinc/46/40/08/646464008.db2.gz OFSDWCALQSUJLB-LLVKDONJSA-N 1 2 271.286 2.291 20 30 CEEDLO CC(=NN[C@@H](C)CC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000771888088 646565002 /nfs/dbraw/zinc/56/50/02/646565002.db2.gz ACYQNJXJVRRALV-LBPRGKRZSA-N 1 2 267.336 2.488 20 30 CEEDLO CCO[C@H](CO[NH+]=C(N)c1ccc(F)cc1)C1CC1 ZINC000863454994 646729187 /nfs/dbraw/zinc/72/91/87/646729187.db2.gz RPSVSPMPGLPXNF-CYBMUJFWSA-N 1 2 266.316 2.278 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000775793073 646993653 /nfs/dbraw/zinc/99/36/53/646993653.db2.gz JGMXAHXIJJTDOL-WCQYABFASA-N 1 2 256.305 2.098 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776594249 647076781 /nfs/dbraw/zinc/07/67/81/647076781.db2.gz ZQYCWLCNHUTCHZ-XHDPSFHLSA-N 1 2 289.335 2.252 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776594249 647076782 /nfs/dbraw/zinc/07/67/82/647076782.db2.gz ZQYCWLCNHUTCHZ-XHDPSFHLSA-N 1 2 289.335 2.252 20 30 CEEDLO Cc1cc(NC(=O)Cc2ccccc2CC#N)cc[nH+]1 ZINC000777097049 647113649 /nfs/dbraw/zinc/11/36/49/647113649.db2.gz RUPICADCWVTAHT-UHFFFAOYSA-N 1 2 265.316 2.059 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000777548190 647148203 /nfs/dbraw/zinc/14/82/03/647148203.db2.gz OBZZPAUVFQQXLE-AWEZNQCLSA-N 1 2 274.364 2.086 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000777548190 647148207 /nfs/dbraw/zinc/14/82/07/647148207.db2.gz OBZZPAUVFQQXLE-AWEZNQCLSA-N 1 2 274.364 2.086 20 30 CEEDLO COc1ccc(N=NC2C[N@@H+](C(C)C)C[C@@H]2C)nc1 ZINC000780277432 647410517 /nfs/dbraw/zinc/41/05/17/647410517.db2.gz WRLLWMVRUJDNHU-NSHDSACASA-N 1 2 262.357 2.218 20 30 CEEDLO COc1ccc(N=NC2C[N@H+](C(C)C)C[C@@H]2C)nc1 ZINC000780277432 647410519 /nfs/dbraw/zinc/41/05/19/647410519.db2.gz WRLLWMVRUJDNHU-NSHDSACASA-N 1 2 262.357 2.218 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782441243 647627293 /nfs/dbraw/zinc/62/72/93/647627293.db2.gz YXKHEJBMCFBXKU-INIZCTEOSA-N 1 2 292.379 2.420 20 30 CEEDLO C[C@@H]([NH2+]CC1CCOCC1)c1cccc(C#N)c1O ZINC000866250590 647695286 /nfs/dbraw/zinc/69/52/86/647695286.db2.gz BAXZGNAOPMBYKD-LLVKDONJSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866250227 647695338 /nfs/dbraw/zinc/69/53/38/647695338.db2.gz WTEOYXIAFBVKQK-VXGBXAGGSA-N 1 2 282.347 2.336 20 30 CEEDLO C[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc(C#N)c1O ZINC000866339904 647743360 /nfs/dbraw/zinc/74/33/60/647743360.db2.gz OLEMTMVDSKGMGD-LLVKDONJSA-N 1 2 276.336 2.068 20 30 CEEDLO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc(C#N)c1O ZINC000866341882 647745071 /nfs/dbraw/zinc/74/50/71/647745071.db2.gz PUVAKRIYIAYWKD-GFCCVEGCSA-N 1 2 274.364 2.467 20 30 CEEDLO C[C@H]([NH2+]CCOCC(F)F)c1cccc(C#N)c1O ZINC000866346967 647748617 /nfs/dbraw/zinc/74/86/17/647748617.db2.gz IHXUVQDAYYQVJN-VIFPVBQESA-N 1 2 270.279 2.196 20 30 CEEDLO Cc1cnc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866370395 647761560 /nfs/dbraw/zinc/76/15/60/647761560.db2.gz VRUNMTHGGJRIJN-GFCCVEGCSA-N 1 2 282.347 2.256 20 30 CEEDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc(C#N)c2O)n1 ZINC000866377940 647763951 /nfs/dbraw/zinc/76/39/51/647763951.db2.gz PEDDETBTJBOEQI-JTQLQIEISA-N 1 2 285.351 2.035 20 30 CEEDLO C#CCC1(C(=O)O[C@@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC000788217188 648163808 /nfs/dbraw/zinc/16/38/08/648163808.db2.gz AZTPCFZWPPRGLD-HNNXBMFYSA-N 1 2 293.407 2.224 20 30 CEEDLO NC(Cc1ccccc1)=[NH+]OCc1nc(-c2ccoc2)no1 ZINC000122205172 648180005 /nfs/dbraw/zinc/18/00/05/648180005.db2.gz USHKFAYWVSTSFW-UHFFFAOYSA-N 1 2 298.302 2.361 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc2ncccc2c1 ZINC000790300074 648403898 /nfs/dbraw/zinc/40/38/98/648403898.db2.gz PGQTXGHXBLBIFB-UHFFFAOYSA-N 1 2 251.293 2.414 20 30 CEEDLO C=CCOc1ccccc1C=NNc1[nH+]ccn1C ZINC000790302911 648404544 /nfs/dbraw/zinc/40/45/44/648404544.db2.gz ZTZNAAHTOBIORM-UHFFFAOYSA-N 1 2 256.309 2.431 20 30 CEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791591213 648546691 /nfs/dbraw/zinc/54/66/91/648546691.db2.gz ZTNWSFUAUYCCBM-LLVKDONJSA-N 1 2 297.314 2.046 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000870046538 648690676 /nfs/dbraw/zinc/69/06/76/648690676.db2.gz UPDFVGLMCFBHGK-UHFFFAOYSA-N 1 2 297.358 2.355 20 30 CEEDLO C[C@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)CC(C)(C)C1 ZINC000794638258 648895940 /nfs/dbraw/zinc/89/59/40/648895940.db2.gz CBCYPTGZHQQTGL-LLVKDONJSA-N 1 2 293.440 2.343 20 30 CEEDLO C[C@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC(C)(C)C1 ZINC000794638258 648895942 /nfs/dbraw/zinc/89/59/42/648895942.db2.gz CBCYPTGZHQQTGL-LLVKDONJSA-N 1 2 293.440 2.343 20 30 CEEDLO CCSCC=[NH+]n1c(SC)nnc1SC ZINC000872417579 649385379 /nfs/dbraw/zinc/38/53/79/649385379.db2.gz FWMIHNYMFJIQMU-UHFFFAOYSA-N 1 2 262.429 2.309 20 30 CEEDLO CO[C@@H](C[NH2+]Cc1cccc(F)c1C#N)C(F)(F)F ZINC000873049564 649543829 /nfs/dbraw/zinc/54/38/29/649543829.db2.gz IWELLKRSLNULAC-NSHDSACASA-N 1 2 276.233 2.364 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)C1=O ZINC000878549900 651127890 /nfs/dbraw/zinc/12/78/90/651127890.db2.gz MRINKHGOUJPKMG-CYBMUJFWSA-N 1 2 293.798 2.262 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)C1=O ZINC000878549900 651127892 /nfs/dbraw/zinc/12/78/92/651127892.db2.gz MRINKHGOUJPKMG-CYBMUJFWSA-N 1 2 293.798 2.262 20 30 CEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2O)o1 ZINC000878662066 651156424 /nfs/dbraw/zinc/15/64/24/651156424.db2.gz LIQTZGMZFNJOJY-HNNXBMFYSA-N 1 2 271.320 2.334 20 30 CEEDLO C#CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1CSC1 ZINC000878914243 651208987 /nfs/dbraw/zinc/20/89/87/651208987.db2.gz QYAFMXAUFFNFAC-AWEZNQCLSA-N 1 2 283.343 2.049 20 30 CEEDLO C#CC[N@H+](C[C@H](O)c1ccc(F)cc1F)C1CSC1 ZINC000878914243 651208990 /nfs/dbraw/zinc/20/89/90/651208990.db2.gz QYAFMXAUFFNFAC-AWEZNQCLSA-N 1 2 283.343 2.049 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1scnc1Cl ZINC000878999850 651225703 /nfs/dbraw/zinc/22/57/03/651225703.db2.gz STXHWIXVSHQKKQ-UHFFFAOYSA-N 1 2 258.774 2.268 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1scnc1Cl ZINC000878999850 651225704 /nfs/dbraw/zinc/22/57/04/651225704.db2.gz STXHWIXVSHQKKQ-UHFFFAOYSA-N 1 2 258.774 2.268 20 30 CEEDLO CO[C@H]1CC[C@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000879326458 651286845 /nfs/dbraw/zinc/28/68/45/651286845.db2.gz RHUANTKMTVGWPZ-ONGXEEELSA-N 1 2 251.355 2.014 20 30 CEEDLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000879326458 651286846 /nfs/dbraw/zinc/28/68/46/651286846.db2.gz RHUANTKMTVGWPZ-ONGXEEELSA-N 1 2 251.355 2.014 20 30 CEEDLO Cc1cncc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000879750134 651346761 /nfs/dbraw/zinc/34/67/61/651346761.db2.gz QCZPOTNLXROFHQ-HNNXBMFYSA-N 1 2 298.390 2.089 20 30 CEEDLO Cc1cncc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000879750134 651346763 /nfs/dbraw/zinc/34/67/63/651346763.db2.gz QCZPOTNLXROFHQ-HNNXBMFYSA-N 1 2 298.390 2.089 20 30 CEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(F)CC2)C1=O ZINC000880239842 651407109 /nfs/dbraw/zinc/40/71/09/651407109.db2.gz GKUBHEHKWOEWOQ-GFCCVEGCSA-N 1 2 293.367 2.159 20 30 CEEDLO C[C@H](c1ccccc1)N1CC[NH+](CCOCCC#N)CC1 ZINC000880251936 651410060 /nfs/dbraw/zinc/41/00/60/651410060.db2.gz ZCBYZGUZMCOANO-MRXNPFEDSA-N 1 2 287.407 2.295 20 30 CEEDLO C#CCC1(O)CC[NH+]([C@@H](C)c2nc(CCCC)no2)CC1 ZINC000880479244 651447822 /nfs/dbraw/zinc/44/78/22/651447822.db2.gz 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C=C(C)C(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001142518008 806612718 /nfs/dbraw/zinc/61/27/18/806612718.db2.gz KUQGUGNICCFREX-UHFFFAOYSA-N 1 2 285.347 2.132 20 30 CEEDLO C[C@@]1(O)C[C@H](CNc2cc(C3(C#N)CC3)cc[nH+]2)C1 ZINC001168340181 806665395 /nfs/dbraw/zinc/66/53/95/806665395.db2.gz NECGZRFPXHDRNP-VDISTLRHSA-N 1 2 257.337 2.210 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H]1C ZINC001088755031 806698943 /nfs/dbraw/zinc/69/89/43/806698943.db2.gz BHWSTFALGLGFQK-KOLCDFICSA-N 1 2 285.750 2.099 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H]1C ZINC001088755031 806698948 /nfs/dbraw/zinc/69/89/48/806698948.db2.gz BHWSTFALGLGFQK-KOLCDFICSA-N 1 2 285.750 2.099 20 30 CEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCO[C@@H](C(F)(F)F)C3)c12 ZINC001167086023 802432617 /nfs/dbraw/zinc/43/26/17/802432617.db2.gz WXJLSHZXLIIPRF-SNVBAGLBSA-N 1 2 296.252 2.202 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(CC)oc2ccccc21 ZINC001039054541 802439032 /nfs/dbraw/zinc/43/90/32/802439032.db2.gz 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/nfs/dbraw/zinc/12/73/59/803127359.db2.gz QGKBPPIUXNAPGY-CQSZACIVSA-N 1 2 291.395 2.372 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(F)c2C)CC1 ZINC001143768020 813871925 /nfs/dbraw/zinc/87/19/25/813871925.db2.gz VEERGOMXIPJPBY-UHFFFAOYSA-N 1 2 264.319 2.024 20 30 CEEDLO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001283619040 803515911 /nfs/dbraw/zinc/51/59/11/803515911.db2.gz NEYASECDFFSJMX-RYUDHWBXSA-N 1 2 294.399 2.232 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1Cl ZINC001140808079 803559124 /nfs/dbraw/zinc/55/91/24/803559124.db2.gz KAZLSFBFKQGBJY-NWDGAFQWSA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1Cl ZINC001140808079 803559128 /nfs/dbraw/zinc/55/91/28/803559128.db2.gz KAZLSFBFKQGBJY-NWDGAFQWSA-N 1 2 268.719 2.116 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c2ccccc2c1 ZINC001038335573 803642805 /nfs/dbraw/zinc/64/28/05/803642805.db2.gz WVTICWJLPOWEMV-HNNXBMFYSA-N 1 2 296.345 2.416 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c2ccccc2c1 ZINC001038335573 803642809 /nfs/dbraw/zinc/64/28/09/803642809.db2.gz WVTICWJLPOWEMV-HNNXBMFYSA-N 1 2 296.345 2.416 20 30 CEEDLO CC(C)(CNC(=O)C1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000692550228 803706992 /nfs/dbraw/zinc/70/69/92/803706992.db2.gz LDUPDTBFQXDCMC-UHFFFAOYSA-N 1 2 274.368 2.208 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001038372556 803824951 /nfs/dbraw/zinc/82/49/51/803824951.db2.gz SUNYTKCJOJHMOY-LLVKDONJSA-N 1 2 296.317 2.353 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C(F)F)cc1C ZINC001038372556 803824961 /nfs/dbraw/zinc/82/49/61/803824961.db2.gz SUNYTKCJOJHMOY-LLVKDONJSA-N 1 2 296.317 2.353 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1 ZINC001027709300 804207122 /nfs/dbraw/zinc/20/71/22/804207122.db2.gz PDBPXFSYDADZIR-CYBMUJFWSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1 ZINC001027709300 804207128 /nfs/dbraw/zinc/20/71/28/804207128.db2.gz PDBPXFSYDADZIR-CYBMUJFWSA-N 1 2 279.771 2.028 20 30 CEEDLO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001028296525 804700075 /nfs/dbraw/zinc/70/00/75/804700075.db2.gz YNDBNOSMLCEQPB-CYBMUJFWSA-N 1 2 298.390 2.333 20 30 CEEDLO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001028296525 804700079 /nfs/dbraw/zinc/70/00/79/804700079.db2.gz YNDBNOSMLCEQPB-CYBMUJFWSA-N 1 2 298.390 2.333 20 30 CEEDLO C=CC(C)(C)C(=O)N(CC)CC[NH2+]Cc1ncc(CC)o1 ZINC001268468666 804712842 /nfs/dbraw/zinc/71/28/42/804712842.db2.gz FFLBKFDTYLPASB-UHFFFAOYSA-N 1 2 293.411 2.387 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1=CCCC1 ZINC001268727201 804945034 /nfs/dbraw/zinc/94/50/34/804945034.db2.gz JWGGXTITORMREW-NSHDSACASA-N 1 2 256.777 2.286 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1=CCCC1 ZINC001268727201 804945038 /nfs/dbraw/zinc/94/50/38/804945038.db2.gz JWGGXTITORMREW-NSHDSACASA-N 1 2 256.777 2.286 20 30 CEEDLO CC#Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247985322 815043902 /nfs/dbraw/zinc/04/39/02/815043902.db2.gz RWORNJSDMPLNFT-UHFFFAOYSA-N 1 2 250.261 2.294 20 30 CEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001269159768 805066918 /nfs/dbraw/zinc/06/69/18/805066918.db2.gz VNXFNSGYXIYPRX-CHWSQXEVSA-N 1 2 293.436 2.436 20 30 CEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001269159768 805066928 /nfs/dbraw/zinc/06/69/28/805066928.db2.gz VNXFNSGYXIYPRX-CHWSQXEVSA-N 1 2 293.436 2.436 20 30 CEEDLO C=CC(C)(C)C(=O)N(C)C1C[NH+](CCOCC(C)C)C1 ZINC001269833180 805265633 /nfs/dbraw/zinc/26/56/33/805265633.db2.gz ZPOZOMFPBCJISJ-UHFFFAOYSA-N 1 2 282.428 2.014 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](C)n2cccc2)C1 ZINC001269876871 805275429 /nfs/dbraw/zinc/27/54/29/805275429.db2.gz ZIIMHVPFQFQCGT-AWEZNQCLSA-N 1 2 275.396 2.158 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC2CCCCCC2)C1 ZINC001270681664 805526177 /nfs/dbraw/zinc/52/61/77/805526177.db2.gz BXJOPJCPLXJGLN-MRXNPFEDSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CC2CCCCCC2)C1 ZINC001270681664 805526179 /nfs/dbraw/zinc/52/61/79/805526179.db2.gz BXJOPJCPLXJGLN-MRXNPFEDSA-N 1 2 294.439 2.350 20 30 CEEDLO C[C@H](c1ccccc1)[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030222976 807117319 /nfs/dbraw/zinc/11/73/19/807117319.db2.gz NMVSPLIFZUADBN-GFCCVEGCSA-N 1 2 294.358 2.062 20 30 CEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CCCF)C2)cc1 ZINC001030541589 807226330 /nfs/dbraw/zinc/22/63/30/807226330.db2.gz SYTZBJCTILHZRQ-UHFFFAOYSA-N 1 2 292.354 2.025 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001030647159 807282588 /nfs/dbraw/zinc/28/25/88/807282588.db2.gz WUTYCFNHDMWJOW-LSDHHAIUSA-N 1 2 274.408 2.049 20 30 CEEDLO N#Cc1ccc(O)c(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001232677555 807297023 /nfs/dbraw/zinc/29/70/23/807297023.db2.gz FGPIUSJLJZNGQA-LBPRGKRZSA-N 1 2 278.352 2.293 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001030720118 807341976 /nfs/dbraw/zinc/34/19/76/807341976.db2.gz PVBUICCKWOMVAJ-CVEARBPZSA-N 1 2 284.403 2.242 20 30 CEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(F)CC1 ZINC000689901813 807354234 /nfs/dbraw/zinc/35/42/34/807354234.db2.gz BMNMISPGFYDMAV-LLVKDONJSA-N 1 2 275.327 2.319 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001030818870 807402812 /nfs/dbraw/zinc/40/28/12/807402812.db2.gz HUSFUEVWHDQDTR-UHFFFAOYSA-N 1 2 261.369 2.128 20 30 CEEDLO C#CC[C@H](COC)Nc1nc(C)[nH+]c(C)c1Br ZINC000716390986 815120909 /nfs/dbraw/zinc/12/09/09/815120909.db2.gz FSFATJWCMIVFGS-SNVBAGLBSA-N 1 2 298.184 2.306 20 30 CEEDLO Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001089310249 807622332 /nfs/dbraw/zinc/62/23/32/807622332.db2.gz WIUWJYPINVGHBD-QWHCGFSZSA-N 1 2 288.395 2.140 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001031071634 807631623 /nfs/dbraw/zinc/63/16/23/807631623.db2.gz XANPOETYKQZLOZ-UHFFFAOYSA-N 1 2 274.408 2.027 20 30 CEEDLO C=C(C)CC[NH+]1CC(NC(=O)c2scnc2C2CC2)C1 ZINC001031072276 807631780 /nfs/dbraw/zinc/63/17/80/807631780.db2.gz XWCKAUONVQAXIV-UHFFFAOYSA-N 1 2 291.420 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C=CC[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171189987 814084474 /nfs/dbraw/zinc/08/44/74/814084474.db2.gz OFUUGINGZDHPNI-SWLSCSKDSA-N 1 2 272.348 2.197 20 30 CEEDLO C=C[C@H](C)ONC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144588940 814121177 /nfs/dbraw/zinc/12/11/77/814121177.db2.gz GMDOOYIYGQPVDJ-LBPRGKRZSA-N 1 2 271.320 2.037 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2ncn3ccccc23)CC1 ZINC001144624883 814126427 /nfs/dbraw/zinc/12/64/27/814126427.db2.gz VAEVXZDTPFSGHS-UHFFFAOYSA-N 1 2 254.337 2.460 20 30 CEEDLO O=C(/C=C/C(=O)c1ccccc1)NCCOc1cc[nH+]cc1 ZINC001144714967 814164872 /nfs/dbraw/zinc/16/48/72/814164872.db2.gz WBIBBGYJRHTKOD-VOTSOKGWSA-N 1 2 296.326 2.016 20 30 CEEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)C#CC2CC2)cc[nH+]1 ZINC001091254655 814198673 /nfs/dbraw/zinc/19/86/73/814198673.db2.gz TYZAPGCGSNHDCA-HUUCEWRRSA-N 1 2 298.390 2.038 20 30 CEEDLO CSc1nc(NCc2cncc(C#N)c2)cc(C)[nH+]1 ZINC001160989503 814317940 /nfs/dbraw/zinc/31/79/40/814317940.db2.gz AALCGFYAMLCGHQ-UHFFFAOYSA-N 1 2 271.349 2.386 20 30 CEEDLO COc1cccc2c1C[C@@H]([N@@H+]1CC[C@@](C)(C#N)C1)CO2 ZINC001173168422 815620200 /nfs/dbraw/zinc/62/02/00/815620200.db2.gz PEBORWUKLAONSE-WBMJQRKESA-N 1 2 272.348 2.234 20 30 CEEDLO COc1cccc2c1C[C@@H]([N@H+]1CC[C@@](C)(C#N)C1)CO2 ZINC001173168422 815620203 /nfs/dbraw/zinc/62/02/03/815620203.db2.gz PEBORWUKLAONSE-WBMJQRKESA-N 1 2 272.348 2.234 20 30 CEEDLO C=CCCCC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001095202548 815745553 /nfs/dbraw/zinc/74/55/53/815745553.db2.gz PZJGHSDMMXGGDQ-UHFFFAOYSA-N 1 2 288.395 2.180 20 30 CEEDLO CC1(C#N)CCC([N@@H+]2CCCC(=O)[C@H](F)C2)CC1 ZINC001173593822 815755757 /nfs/dbraw/zinc/75/57/57/815755757.db2.gz OGOVFKXRMZGDLO-MBHSVXNSSA-N 1 2 252.333 2.462 20 30 CEEDLO CC1(C#N)CCC([N@H+]2CCCC(=O)[C@H](F)C2)CC1 ZINC001173593822 815755760 /nfs/dbraw/zinc/75/57/60/815755760.db2.gz OGOVFKXRMZGDLO-MBHSVXNSSA-N 1 2 252.333 2.462 20 30 CEEDLO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H]2C#N)C1 ZINC001173658875 815778513 /nfs/dbraw/zinc/77/85/13/815778513.db2.gz 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/nfs/dbraw/zinc/18/20/21/816182021.db2.gz SASMIHIPGACNMP-UHFFFAOYSA-N 1 2 260.300 2.414 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC001140541140 816282086 /nfs/dbraw/zinc/28/20/86/816282086.db2.gz YZVDAYLWPDFVBI-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCCOCC2)c1 ZINC001140599661 816297213 /nfs/dbraw/zinc/29/72/13/816297213.db2.gz MEJJINAGMZYHQJ-UHFFFAOYSA-N 1 2 250.729 2.434 20 30 CEEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCCOCC2)c1 ZINC001140599661 816297219 /nfs/dbraw/zinc/29/72/19/816297219.db2.gz MEJJINAGMZYHQJ-UHFFFAOYSA-N 1 2 250.729 2.434 20 30 CEEDLO Cc1nc(C#N)c(Nc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC001175856105 816297861 /nfs/dbraw/zinc/29/78/61/816297861.db2.gz FGBWINFOAHDHKG-UHFFFAOYSA-N 1 2 298.346 2.431 20 30 CEEDLO COc1cc(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC001141030905 816450382 /nfs/dbraw/zinc/45/03/82/816450382.db2.gz QHCFCRVJCBRZRV-OAHLLOKOSA-N 1 2 276.336 2.145 20 30 CEEDLO COc1cc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC001141030905 816450385 /nfs/dbraw/zinc/45/03/85/816450385.db2.gz QHCFCRVJCBRZRV-OAHLLOKOSA-N 1 2 276.336 2.145 20 30 CEEDLO N#Cc1ccnnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749663 816465812 /nfs/dbraw/zinc/46/58/12/816465812.db2.gz KHLSCLFFVFGCBP-UHFFFAOYSA-N 1 2 266.308 2.087 20 30 CEEDLO Cc1nc(C#N)cnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749735 816465830 /nfs/dbraw/zinc/46/58/30/816465830.db2.gz IMEMJCYXSZEGHC-UHFFFAOYSA-N 1 2 280.335 2.396 20 30 CEEDLO N#Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)c2cccnc12 ZINC001176833740 816482009 /nfs/dbraw/zinc/48/20/09/816482009.db2.gz UMNKYKVBAMWJPM-UHFFFAOYSA-N 1 2 277.287 2.011 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@H]21 ZINC001176978195 816503671 /nfs/dbraw/zinc/50/36/71/816503671.db2.gz RULDBJOHMQGDNW-HZPDHXFCSA-N 1 2 292.423 2.221 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@H]21 ZINC001176978195 816503674 /nfs/dbraw/zinc/50/36/74/816503674.db2.gz RULDBJOHMQGDNW-HZPDHXFCSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001176944115 816504720 /nfs/dbraw/zinc/50/47/20/816504720.db2.gz TYKPNXNYENCHHF-VFPQPWSNSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001176944115 816504726 /nfs/dbraw/zinc/50/47/26/816504726.db2.gz TYKPNXNYENCHHF-VFPQPWSNSA-N 1 2 292.423 2.221 20 30 CEEDLO N#Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC001177616721 816593923 /nfs/dbraw/zinc/59/39/23/816593923.db2.gz TYFRQNHHNBYOQF-AWEZNQCLSA-N 1 2 296.330 2.149 20 30 CEEDLO N#Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)n1 ZINC001177616721 816593925 /nfs/dbraw/zinc/59/39/25/816593925.db2.gz TYFRQNHHNBYOQF-AWEZNQCLSA-N 1 2 296.330 2.149 20 30 CEEDLO CC(C)(C)c1nc[nH]c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001142217521 816641207 /nfs/dbraw/zinc/64/12/07/816641207.db2.gz JMEGOQXKCBCGCD-LBPRGKRZSA-N 1 2 291.420 2.481 20 30 CEEDLO CC(C)(C)c1nc[nH]c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001142217521 816641213 /nfs/dbraw/zinc/64/12/13/816641213.db2.gz JMEGOQXKCBCGCD-LBPRGKRZSA-N 1 2 291.420 2.481 20 30 CEEDLO C=CCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142225962 816641454 /nfs/dbraw/zinc/64/14/54/816641454.db2.gz NABPNGZHIQONIX-UHFFFAOYSA-N 1 2 264.394 2.189 20 30 CEEDLO C=CCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001142225962 816641459 /nfs/dbraw/zinc/64/14/59/816641459.db2.gz NABPNGZHIQONIX-UHFFFAOYSA-N 1 2 264.394 2.189 20 30 CEEDLO C#CC[C@@H]([NH2+]Cc1nc(CO)cs1)c1ccccc1 ZINC001178223050 816707344 /nfs/dbraw/zinc/70/73/44/816707344.db2.gz KWJGNUFVSSUIQR-CQSZACIVSA-N 1 2 272.373 2.490 20 30 CEEDLO C[N@H+](CCC1OCCO1)Cc1c(F)ccc(C#N)c1F ZINC001143174312 816798749 /nfs/dbraw/zinc/79/87/49/816798749.db2.gz PTZXFJPYNQAKII-UHFFFAOYSA-N 1 2 282.290 2.031 20 30 CEEDLO C[N@@H+](CCC1OCCO1)Cc1c(F)ccc(C#N)c1F ZINC001143174312 816798752 /nfs/dbraw/zinc/79/87/52/816798752.db2.gz PTZXFJPYNQAKII-UHFFFAOYSA-N 1 2 282.290 2.031 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000121366397 365560017 /nfs/dbraw/zinc/56/00/17/365560017.db2.gz KABVATWQKLCLGO-UHFFFAOYSA-N 1 2 298.770 2.414 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000121366397 365560021 /nfs/dbraw/zinc/56/00/21/365560021.db2.gz KABVATWQKLCLGO-UHFFFAOYSA-N 1 2 298.770 2.414 20 30 CEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC000336550672 365632952 /nfs/dbraw/zinc/63/29/52/365632952.db2.gz KACXXYQZRFVJJW-NEPJUHHUSA-N 1 2 260.341 2.116 20 30 CEEDLO Cc1ccoc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122954160 365634440 /nfs/dbraw/zinc/63/44/40/365634440.db2.gz RXCCCELBHNTSPS-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO COc1cc(OC)c(C[NH+]2CCC(C#N)CC2)c(OC)c1 ZINC000123743098 365641363 /nfs/dbraw/zinc/64/13/63/365641363.db2.gz MFNWOIJLLYVDAW-UHFFFAOYSA-N 1 2 290.363 2.448 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000601930440 346928840 /nfs/dbraw/zinc/92/88/40/346928840.db2.gz VUJRPDLENNELSE-AGIUHOORSA-N 1 2 267.369 2.040 20 30 CEEDLO C=C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)C(=O)OC ZINC000601942131 346935468 /nfs/dbraw/zinc/93/54/68/346935468.db2.gz RGWSPYAGDDNDJE-QWHCGFSZSA-N 1 2 267.369 2.043 20 30 CEEDLO N#CC1(C[C@@H](O)Cn2c3ccccc3[nH+]c2CCCO)CC1 ZINC000601958243 346943124 /nfs/dbraw/zinc/94/31/24/346943124.db2.gz ZBTQAOKKISWNGJ-CYBMUJFWSA-N 1 2 299.374 2.016 20 30 CEEDLO CCC[N@H+](Cc1nnnn1C1CC1)Cc1ccc(C#N)cc1 ZINC000047740078 343520978 /nfs/dbraw/zinc/52/09/78/343520978.db2.gz AMHCLQVLKHRPQR-UHFFFAOYSA-N 1 2 296.378 2.292 20 30 CEEDLO CCC[N@@H+](Cc1nnnn1C1CC1)Cc1ccc(C#N)cc1 ZINC000047740078 343520981 /nfs/dbraw/zinc/52/09/81/343520981.db2.gz AMHCLQVLKHRPQR-UHFFFAOYSA-N 1 2 296.378 2.292 20 30 CEEDLO CC[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@H](C)C#N ZINC000066424479 343714060 /nfs/dbraw/zinc/71/40/60/343714060.db2.gz JJBXKSUHXCRJNA-CQSZACIVSA-N 1 2 277.412 2.475 20 30 CEEDLO CC[N@H+](CC(=O)NCCC1=CCCCC1)C[C@H](C)C#N ZINC000066424479 343714062 /nfs/dbraw/zinc/71/40/62/343714062.db2.gz JJBXKSUHXCRJNA-CQSZACIVSA-N 1 2 277.412 2.475 20 30 CEEDLO N#CCC[C@H](C#N)Cn1c2ccccc2[nH+]c1CCCO ZINC000066483283 343715569 /nfs/dbraw/zinc/71/55/69/343715569.db2.gz MRUGKLQLTPYSKD-CYBMUJFWSA-N 1 2 282.347 2.405 20 30 CEEDLO Cc1cccc(CN2CC[NH+](CCCC#N)CC2)c1 ZINC000067131101 343730258 /nfs/dbraw/zinc/73/02/58/343730258.db2.gz LWUJPWHPOKXWFJ-UHFFFAOYSA-N 1 2 257.381 2.416 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc(C#N)c3)cn21 ZINC000068571881 343768998 /nfs/dbraw/zinc/76/89/98/343768998.db2.gz KWTZZSMPPYNPJA-UHFFFAOYSA-N 1 2 290.326 2.444 20 30 CEEDLO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)CC#N)c(C)c1 ZINC000068612952 343769399 /nfs/dbraw/zinc/76/93/99/343769399.db2.gz GFMRLPZLFWFLRX-CYBMUJFWSA-N 1 2 259.353 2.442 20 30 CEEDLO Cc1cn2ccc(C(=O)N[C@@H](C#N)CC(C)C)cc2[nH+]1 ZINC000602090807 346971206 /nfs/dbraw/zinc/97/12/06/346971206.db2.gz SEPSHCYYMOKMBG-CYBMUJFWSA-N 1 2 270.336 2.311 20 30 CEEDLO C#CC[N@@H+](CCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000072609576 343807594 /nfs/dbraw/zinc/80/75/94/343807594.db2.gz VYKVFEDJGMRPBY-OAHLLOKOSA-N 1 2 283.437 2.079 20 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N#Cc1ccc(C(F)(F)F)c(NCC[NH+]2CCOCC2)c1 ZINC000127444690 187306891 /nfs/dbraw/zinc/30/68/91/187306891.db2.gz SXQIQFLDOGUORZ-UHFFFAOYSA-N 1 2 299.296 2.321 20 30 CEEDLO COc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1C#N ZINC000594608560 345660272 /nfs/dbraw/zinc/66/02/72/345660272.db2.gz BZKQNAXFBMWVDN-UHFFFAOYSA-N 1 2 264.275 2.408 20 30 CEEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C#N)CC1 ZINC000057880627 362599172 /nfs/dbraw/zinc/59/91/72/362599172.db2.gz JRWFZCPBBMSQAX-LLVKDONJSA-N 1 2 275.327 2.388 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1F ZINC000594953464 345715013 /nfs/dbraw/zinc/71/50/13/345715013.db2.gz GSYFTKCGINIXAC-UHFFFAOYSA-N 1 2 285.326 2.304 20 30 CEEDLO Cc1cn2c([nH+]1)CN([C@@H](C#N)c1ccccc1)CC2 ZINC000595424931 345779063 /nfs/dbraw/zinc/77/90/63/345779063.db2.gz JEYDHZYVTSBTFQ-AWEZNQCLSA-N 1 2 252.321 2.272 20 30 CEEDLO C[C@@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000595461925 345788852 /nfs/dbraw/zinc/78/88/52/345788852.db2.gz QTKJQOXATGPUJI-VXGBXAGGSA-N 1 2 297.362 2.413 20 30 CEEDLO N#Cc1cc(Cl)ccc1CN1CCn2c[nH+]cc2C1 ZINC000595491555 345795044 /nfs/dbraw/zinc/79/50/44/345795044.db2.gz RAHOUQSNGFIZLY-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO CC(C)c1cccc(C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000595511659 345799895 /nfs/dbraw/zinc/79/98/95/345799895.db2.gz IVCHTWPDRILSSA-UHFFFAOYSA-N 1 2 285.391 2.368 20 30 CEEDLO C=C(C)CC[NH2+][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595728510 345860955 /nfs/dbraw/zinc/86/09/55/345860955.db2.gz RRBWCKOPFXAXHK-AWEZNQCLSA-N 1 2 255.358 2.043 20 30 CEEDLO C=C(C)CC[NH2+][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000595728511 345861091 /nfs/dbraw/zinc/86/10/91/345861091.db2.gz RRBWCKOPFXAXHK-CQSZACIVSA-N 1 2 255.358 2.043 20 30 CEEDLO Cn1c(C[N@@H+]2CCC[C@@H](CC#N)C2)nnc1C1CCC1 ZINC000595619419 345830190 /nfs/dbraw/zinc/83/01/90/345830190.db2.gz AKQHGDKGLLOPAC-LBPRGKRZSA-N 1 2 273.384 2.208 20 30 CEEDLO Cn1c(C[N@H+]2CCC[C@@H](CC#N)C2)nnc1C1CCC1 ZINC000595619419 345830195 /nfs/dbraw/zinc/83/01/95/345830195.db2.gz AKQHGDKGLLOPAC-LBPRGKRZSA-N 1 2 273.384 2.208 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833267 345890171 /nfs/dbraw/zinc/89/01/71/345890171.db2.gz BSPFXVYSMZAKFO-ZFWWWQNUSA-N 1 2 263.385 2.013 20 30 CEEDLO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833267 345890173 /nfs/dbraw/zinc/89/01/73/345890173.db2.gz BSPFXVYSMZAKFO-ZFWWWQNUSA-N 1 2 263.385 2.013 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835944 345892439 /nfs/dbraw/zinc/89/24/39/345892439.db2.gz SRPDJNVNKPZCHX-QGZVFWFLSA-N 1 2 285.391 2.271 20 30 CEEDLO CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835944 345892441 /nfs/dbraw/zinc/89/24/41/345892441.db2.gz SRPDJNVNKPZCHX-QGZVFWFLSA-N 1 2 285.391 2.271 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835334 345892503 /nfs/dbraw/zinc/89/25/03/345892503.db2.gz OSKOHSCMIULREK-GUYCJALGSA-N 1 2 283.375 2.200 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835334 345892504 /nfs/dbraw/zinc/89/25/04/345892504.db2.gz OSKOHSCMIULREK-GUYCJALGSA-N 1 2 283.375 2.200 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836424 345892890 /nfs/dbraw/zinc/89/28/90/345892890.db2.gz ZIOGNUUBJUJBBW-YOEHRIQHSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836424 345892894 /nfs/dbraw/zinc/89/28/94/345892894.db2.gz ZIOGNUUBJUJBBW-YOEHRIQHSA-N 1 2 285.391 2.235 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839150 345894131 /nfs/dbraw/zinc/89/41/31/345894131.db2.gz ZPAYHYQOLBQFHQ-OAHLLOKOSA-N 1 2 276.336 2.364 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839150 345894134 /nfs/dbraw/zinc/89/41/34/345894134.db2.gz ZPAYHYQOLBQFHQ-OAHLLOKOSA-N 1 2 276.336 2.364 20 30 CEEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)o1 ZINC000595841399 345895294 /nfs/dbraw/zinc/89/52/94/345895294.db2.gz VOSUJHBZJWUAKZ-AWEZNQCLSA-N 1 2 262.309 2.110 20 30 CEEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)o1 ZINC000595841399 345895297 /nfs/dbraw/zinc/89/52/97/345895297.db2.gz VOSUJHBZJWUAKZ-AWEZNQCLSA-N 1 2 262.309 2.110 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595841720 345895718 /nfs/dbraw/zinc/89/57/18/345895718.db2.gz WXGAPPWOYUEXSK-IINYFYTJSA-N 1 2 262.309 2.363 20 30 CEEDLO COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595841720 345895719 /nfs/dbraw/zinc/89/57/19/345895719.db2.gz WXGAPPWOYUEXSK-IINYFYTJSA-N 1 2 262.309 2.363 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(C#N)c1C ZINC000595810826 345881530 /nfs/dbraw/zinc/88/15/30/345881530.db2.gz ONMFZVZRPUELAA-CYZMBNFOSA-N 1 2 287.363 2.437 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C#N)c1C ZINC000595810826 345881532 /nfs/dbraw/zinc/88/15/32/345881532.db2.gz ONMFZVZRPUELAA-CYZMBNFOSA-N 1 2 287.363 2.437 20 30 CEEDLO CC[N@H+](CCC(=O)N1CCc2sccc2C1)[C@@H](C)C#N ZINC000595813195 345883128 /nfs/dbraw/zinc/88/31/28/345883128.db2.gz LWUOZKFYHBSOPQ-LBPRGKRZSA-N 1 2 291.420 2.257 20 30 CEEDLO CC[N@@H+](CCC(=O)N1CCc2sccc2C1)[C@@H](C)C#N ZINC000595813195 345883134 /nfs/dbraw/zinc/88/31/34/345883134.db2.gz LWUOZKFYHBSOPQ-LBPRGKRZSA-N 1 2 291.420 2.257 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000595845047 345897114 /nfs/dbraw/zinc/89/71/14/345897114.db2.gz XSEZJOLXMOOFED-HOCLYGCPSA-N 1 2 269.348 2.175 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000595845047 345897117 /nfs/dbraw/zinc/89/71/17/345897117.db2.gz XSEZJOLXMOOFED-HOCLYGCPSA-N 1 2 269.348 2.175 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCCNc1c(C#N)cnn1C ZINC000596060855 345930166 /nfs/dbraw/zinc/93/01/66/345930166.db2.gz XIDLEHBNVNGNLP-UHFFFAOYSA-N 1 2 294.362 2.452 20 30 CEEDLO CCc1nc(C#N)cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000596158353 345955107 /nfs/dbraw/zinc/95/51/07/345955107.db2.gz VXACNKUOOJJTOK-GXTWGEPZSA-N 1 2 296.378 2.195 20 30 CEEDLO CCc1nc(C#N)cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000596158355 345955120 /nfs/dbraw/zinc/95/51/20/345955120.db2.gz VXACNKUOOJJTOK-OCCSQVGLSA-N 1 2 296.378 2.195 20 30 CEEDLO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000596659432 346074596 /nfs/dbraw/zinc/07/45/96/346074596.db2.gz ZCWLQCSWQVGNNJ-NSHDSACASA-N 1 2 283.335 2.369 20 30 CEEDLO C[C@@H](CC#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000596664575 346074858 /nfs/dbraw/zinc/07/48/58/346074858.db2.gz RRPXGKACJYOXHA-ZDUSSCGKSA-N 1 2 287.363 2.007 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596744519 346083183 /nfs/dbraw/zinc/08/31/83/346083183.db2.gz IGDSQZTZIBMJBT-CQSZACIVSA-N 1 2 294.358 2.045 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596744519 346083184 /nfs/dbraw/zinc/08/31/84/346083184.db2.gz IGDSQZTZIBMJBT-CQSZACIVSA-N 1 2 294.358 2.045 20 30 CEEDLO N#CC[C@H]1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000596749389 346083844 /nfs/dbraw/zinc/08/38/44/346083844.db2.gz JHXXCNYJOOHRPH-GFCCVEGCSA-N 1 2 283.335 2.492 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000597330421 346172612 /nfs/dbraw/zinc/17/26/12/346172612.db2.gz SUPCBRKWDFRKBW-BXUZGUMPSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000597330421 346172613 /nfs/dbraw/zinc/17/26/13/346172613.db2.gz SUPCBRKWDFRKBW-BXUZGUMPSA-N 1 2 294.358 2.264 20 30 CEEDLO Cc1cccn2c(CN3CC[C@](C)(C#N)C3)c[nH+]c12 ZINC000597230187 346155936 /nfs/dbraw/zinc/15/59/36/346155936.db2.gz QNPVKGSQYILRLT-OAHLLOKOSA-N 1 2 254.337 2.378 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CCCCC1 ZINC000598316553 346325260 /nfs/dbraw/zinc/32/52/60/346325260.db2.gz UOOFIMXLWURXOV-GFCCVEGCSA-N 1 2 274.368 2.179 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CCCCC1 ZINC000598316553 346325261 /nfs/dbraw/zinc/32/52/61/346325261.db2.gz UOOFIMXLWURXOV-GFCCVEGCSA-N 1 2 274.368 2.179 20 30 CEEDLO C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1[nH+]ccn1C ZINC000598465288 346361083 /nfs/dbraw/zinc/36/10/83/346361083.db2.gz PHOMMDUKPLGJFD-GFCCVEGCSA-N 1 2 274.368 2.461 20 30 CEEDLO N#CC[C@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000598945833 346435617 /nfs/dbraw/zinc/43/56/17/346435617.db2.gz CCVOZNAJIGIGRA-HUUCEWRRSA-N 1 2 294.358 2.012 20 30 CEEDLO N#Cc1cnc(NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000129033845 365819230 /nfs/dbraw/zinc/81/92/30/365819230.db2.gz JXZSNJLOWMRXLJ-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1C#N ZINC000599388468 346512187 /nfs/dbraw/zinc/51/21/87/346512187.db2.gz IEDBEIYFOJUXGG-BFUOFWGJSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1C#N ZINC000599388468 346512191 /nfs/dbraw/zinc/51/21/91/346512191.db2.gz IEDBEIYFOJUXGG-BFUOFWGJSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1C#N ZINC000599388469 346512298 /nfs/dbraw/zinc/51/22/98/346512298.db2.gz IEDBEIYFOJUXGG-DJJJIMSYSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1C#N ZINC000599388469 346512301 /nfs/dbraw/zinc/51/23/01/346512301.db2.gz IEDBEIYFOJUXGG-DJJJIMSYSA-N 1 2 276.405 2.210 20 30 CEEDLO CCC[N@H+](CC(F)F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599280229 346489646 /nfs/dbraw/zinc/48/96/46/346489646.db2.gz ZOFUZKLGZLMPID-LBPRGKRZSA-N 1 2 290.354 2.035 20 30 CEEDLO CCC[N@@H+](CC(F)F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599280229 346489653 /nfs/dbraw/zinc/48/96/53/346489653.db2.gz ZOFUZKLGZLMPID-LBPRGKRZSA-N 1 2 290.354 2.035 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599315125 346497493 /nfs/dbraw/zinc/49/74/93/346497493.db2.gz DFNIEKKIAMDLHO-UHFFFAOYSA-N 1 2 260.337 2.250 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599315125 346497498 /nfs/dbraw/zinc/49/74/98/346497498.db2.gz DFNIEKKIAMDLHO-UHFFFAOYSA-N 1 2 260.337 2.250 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC#N)C1CCCC1)CC2 ZINC000599538694 346534184 /nfs/dbraw/zinc/53/41/84/346534184.db2.gz WBDWBELRBAUDQJ-CYBMUJFWSA-N 1 2 286.379 2.049 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600612738 346662533 /nfs/dbraw/zinc/66/25/33/346662533.db2.gz CAXLQYQCTOAODH-BXKDBHETSA-N 1 2 295.745 2.476 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315543 346634313 /nfs/dbraw/zinc/63/43/13/346634313.db2.gz QCPKTPONYPNVED-ZWNOBZJWSA-N 1 2 286.310 2.304 20 30 CEEDLO COCCCNc1ccc(-c2ccc(C#N)cc2)c[nH+]1 ZINC000600777857 346688494 /nfs/dbraw/zinc/68/84/94/346688494.db2.gz VJOVLZOGFWRVNL-UHFFFAOYSA-N 1 2 267.332 2.491 20 30 CEEDLO CC(C)[C@@H](C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601134706 346764784 /nfs/dbraw/zinc/76/47/84/346764784.db2.gz KESDTACEZJHCFI-CYBMUJFWSA-N 1 2 268.320 2.355 20 30 CEEDLO N#CC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC2(CC2)C1 ZINC000601024188 346734252 /nfs/dbraw/zinc/73/42/52/346734252.db2.gz LWOISXVVJCSFPU-UHFFFAOYSA-N 1 2 284.363 2.131 20 30 CEEDLO N#CCc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601036238 346736927 /nfs/dbraw/zinc/73/69/27/346736927.db2.gz NHEWWVXUVKFXOS-OAHLLOKOSA-N 1 2 294.358 2.426 20 30 CEEDLO Cc1cc(N[C@H](C2CCC2)[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000601250327 346801435 /nfs/dbraw/zinc/80/14/35/346801435.db2.gz LMZDQGNZTIKBKD-HZPDHXFCSA-N 1 2 271.364 2.443 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000602671497 347135060 /nfs/dbraw/zinc/13/50/60/347135060.db2.gz JXBTWYFJJYRTHN-JKSUJKDBSA-N 1 2 269.348 2.097 20 30 CEEDLO N#Cc1cccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n1 ZINC000602671497 347135064 /nfs/dbraw/zinc/13/50/64/347135064.db2.gz JXBTWYFJJYRTHN-JKSUJKDBSA-N 1 2 269.348 2.097 20 30 CEEDLO COc1cccc(OC)c1C[NH2+]Cc1cccc(C#N)n1 ZINC000602707510 347162377 /nfs/dbraw/zinc/16/23/77/347162377.db2.gz BMRIDMHTWPOTNK-UHFFFAOYSA-N 1 2 283.331 2.260 20 30 CEEDLO N#CCC1(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC000602788102 347199126 /nfs/dbraw/zinc/19/91/26/347199126.db2.gz ROFPZBCGGOPRNU-UHFFFAOYSA-N 1 2 293.308 2.198 20 30 CEEDLO C=C(C)C[C@@H](NCc1c[nH+]c2ccc(C)cn12)C(=O)OC ZINC000602735475 347178293 /nfs/dbraw/zinc/17/82/93/347178293.db2.gz XTAWNBUXKHROOO-CQSZACIVSA-N 1 2 287.363 2.240 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(CCC#N)CC2)c(F)c1 ZINC000602750735 347184225 /nfs/dbraw/zinc/18/42/25/347184225.db2.gz BNAWDQQPSZDCIU-UHFFFAOYSA-N 1 2 261.344 2.165 20 30 CEEDLO N#CCCN1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000602752700 347186116 /nfs/dbraw/zinc/18/61/16/347186116.db2.gz ZSLSFIFFOSNQNU-UHFFFAOYSA-N 1 2 280.322 2.050 20 30 CEEDLO C=CC[NH+](CC=C)Cc1cnc(C(=O)OCC)s1 ZINC000602762091 347187889 /nfs/dbraw/zinc/18/78/89/347187889.db2.gz HBJSWAKOHJLLBD-UHFFFAOYSA-N 1 2 266.366 2.494 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000602940338 347251875 /nfs/dbraw/zinc/25/18/75/347251875.db2.gz FPAFVCIOXUBFCN-LBPRGKRZSA-N 1 2 297.362 2.049 20 30 CEEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000602940338 347251883 /nfs/dbraw/zinc/25/18/83/347251883.db2.gz FPAFVCIOXUBFCN-LBPRGKRZSA-N 1 2 297.362 2.049 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000602849956 347224225 /nfs/dbraw/zinc/22/42/25/347224225.db2.gz SDXLJGMDEBOWCJ-GRYCIOLGSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000602849956 347224228 /nfs/dbraw/zinc/22/42/28/347224228.db2.gz SDXLJGMDEBOWCJ-GRYCIOLGSA-N 1 2 289.354 2.137 20 30 CEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602860563 347228106 /nfs/dbraw/zinc/22/81/06/347228106.db2.gz CBBYYFJZDOSSEJ-OLZOCXBDSA-N 1 2 253.390 2.209 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000602860630 347228198 /nfs/dbraw/zinc/22/81/98/347228198.db2.gz CRSRJVADRPVCQH-MEBFFEOJSA-N 1 2 265.401 2.208 20 30 CEEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602859679 347228375 /nfs/dbraw/zinc/22/83/75/347228375.db2.gz ABCQCSDSBSFTHD-NWDGAFQWSA-N 1 2 259.353 2.468 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccccc1Cl ZINC000602861751 347228899 /nfs/dbraw/zinc/22/88/99/347228899.db2.gz IAMUPHHDYHGHGP-QWRGUYRKSA-N 1 2 279.771 2.236 20 30 CEEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CC2(CC#N)CC2)c1 ZINC000602872803 347233525 /nfs/dbraw/zinc/23/35/25/347233525.db2.gz JDZMKFOFFWJWIF-HNNXBMFYSA-N 1 2 283.375 2.162 20 30 CEEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CC2(CC#N)CC2)c1 ZINC000602872803 347233528 /nfs/dbraw/zinc/23/35/28/347233528.db2.gz JDZMKFOFFWJWIF-HNNXBMFYSA-N 1 2 283.375 2.162 20 30 CEEDLO Cn1cc(C2=CCC[N@H+](Cc3nc(C#N)cs3)C2)cn1 ZINC000602883822 347238211 /nfs/dbraw/zinc/23/82/11/347238211.db2.gz RRKZQDNCZYYJCT-UHFFFAOYSA-N 1 2 285.376 2.038 20 30 CEEDLO Cn1cc(C2=CCC[N@@H+](Cc3nc(C#N)cs3)C2)cn1 ZINC000602883822 347238213 /nfs/dbraw/zinc/23/82/13/347238213.db2.gz RRKZQDNCZYYJCT-UHFFFAOYSA-N 1 2 285.376 2.038 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602883727 347238332 /nfs/dbraw/zinc/23/83/32/347238332.db2.gz XBHCVPWBFCLITR-HNNXBMFYSA-N 1 2 295.346 2.057 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602883727 347238338 /nfs/dbraw/zinc/23/83/38/347238338.db2.gz XBHCVPWBFCLITR-HNNXBMFYSA-N 1 2 295.346 2.057 20 30 CEEDLO N#CCC1(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000602917190 347246384 /nfs/dbraw/zinc/24/63/84/347246384.db2.gz ZFJIORDKCDCOLZ-UHFFFAOYSA-N 1 2 268.364 2.406 20 30 CEEDLO N#CCC1(C[N@H+]2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000602917190 347246388 /nfs/dbraw/zinc/24/63/88/347246388.db2.gz ZFJIORDKCDCOLZ-UHFFFAOYSA-N 1 2 268.364 2.406 20 30 CEEDLO C[N@H+](CC[S@](=O)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602976210 347262150 /nfs/dbraw/zinc/26/21/50/347262150.db2.gz MPOHJMVSNAUEFY-RFUYNDQBSA-N 1 2 276.405 2.418 20 30 CEEDLO C[N@@H+](CC[S@](=O)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602976210 347262151 /nfs/dbraw/zinc/26/21/51/347262151.db2.gz MPOHJMVSNAUEFY-RFUYNDQBSA-N 1 2 276.405 2.418 20 30 CEEDLO COC(=O)c1coc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602976568 347262227 /nfs/dbraw/zinc/26/22/27/347262227.db2.gz QXOURYWXKPLOHJ-MFKMUULPSA-N 1 2 262.309 2.190 20 30 CEEDLO COC(=O)c1coc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602976568 347262229 /nfs/dbraw/zinc/26/22/29/347262229.db2.gz QXOURYWXKPLOHJ-MFKMUULPSA-N 1 2 262.309 2.190 20 30 CEEDLO COC(=O)c1oc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1C ZINC000602976879 347262490 /nfs/dbraw/zinc/26/24/90/347262490.db2.gz UVFLNOFASSQXDG-YPMHNXCESA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1oc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1C ZINC000602976879 347262494 /nfs/dbraw/zinc/26/24/94/347262494.db2.gz UVFLNOFASSQXDG-YPMHNXCESA-N 1 2 276.336 2.499 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602978406 347262912 /nfs/dbraw/zinc/26/29/12/347262912.db2.gz QDKHTMWPUIVEMT-HIFRSBDPSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602978406 347262913 /nfs/dbraw/zinc/26/29/13/347262913.db2.gz QDKHTMWPUIVEMT-HIFRSBDPSA-N 1 2 289.354 2.066 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)nc12 ZINC000602978467 347262917 /nfs/dbraw/zinc/26/29/17/347262917.db2.gz QYVOESVYCBBJOT-UKRRQHHQSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)nc12 ZINC000602978467 347262918 /nfs/dbraw/zinc/26/29/18/347262918.db2.gz QYVOESVYCBBJOT-UKRRQHHQSA-N 1 2 296.374 2.127 20 30 CEEDLO CC1CC(n2nnc3c2C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC3)C1 ZINC000602986836 347267907 /nfs/dbraw/zinc/26/79/07/347267907.db2.gz QWNYLYVSGOYSCX-CEUNDQEZSA-N 1 2 285.395 2.299 20 30 CEEDLO CC1CC(n2nnc3c2C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC3)C1 ZINC000602986836 347267910 /nfs/dbraw/zinc/26/79/10/347267910.db2.gz QWNYLYVSGOYSCX-CEUNDQEZSA-N 1 2 285.395 2.299 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+](CC)CCC(F)(F)F ZINC000604525396 347419558 /nfs/dbraw/zinc/41/95/58/347419558.db2.gz ZSZKWNDPYUQCTH-UHFFFAOYSA-N 1 2 279.306 2.023 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000604525396 347419559 /nfs/dbraw/zinc/41/95/59/347419559.db2.gz ZSZKWNDPYUQCTH-UHFFFAOYSA-N 1 2 279.306 2.023 20 30 CEEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000608800215 347619182 /nfs/dbraw/zinc/61/91/82/347619182.db2.gz JGDWRYHRKMQOMB-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000608800215 347619184 /nfs/dbraw/zinc/61/91/84/347619184.db2.gz JGDWRYHRKMQOMB-UHFFFAOYSA-N 1 2 294.358 2.332 20 30 CEEDLO C[C@@H]1C[N@H+](CCCCC#N)C[C@H](C(F)(F)F)O1 ZINC000610410737 347679624 /nfs/dbraw/zinc/67/96/24/347679624.db2.gz NRPGVSBCSWZNKE-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@@H]1C[N@@H+](CCCCC#N)C[C@H](C(F)(F)F)O1 ZINC000610410737 347679626 /nfs/dbraw/zinc/67/96/26/347679626.db2.gz NRPGVSBCSWZNKE-NXEZZACHSA-N 1 2 250.264 2.332 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(CC)CC)Cc1ccc(F)cc1 ZINC000065958441 362848075 /nfs/dbraw/zinc/84/80/75/362848075.db2.gz GVJRXAKCDHCVHZ-UHFFFAOYSA-N 1 2 276.355 2.129 20 30 CEEDLO C#CC[N@H+](CC(=O)N(CC)CC)Cc1ccc(F)cc1 ZINC000065958441 362848083 /nfs/dbraw/zinc/84/80/83/362848083.db2.gz GVJRXAKCDHCVHZ-UHFFFAOYSA-N 1 2 276.355 2.129 20 30 CEEDLO Cc1nc2[nH]ccc2c(NCc2ccc(C#N)cc2F)[nH+]1 ZINC000610575844 347692942 /nfs/dbraw/zinc/69/29/42/347692942.db2.gz SBGRTQCVMPGIMU-UHFFFAOYSA-N 1 2 281.294 2.311 20 30 CEEDLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610335259 347673644 /nfs/dbraw/zinc/67/36/44/347673644.db2.gz HMTNBXVLUHNTAJ-ZDUSSCGKSA-N 1 2 297.362 2.205 20 30 CEEDLO CCC[C@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000611430995 347778394 /nfs/dbraw/zinc/77/83/94/347778394.db2.gz QAOZLOKBQHZYJF-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO CCC[C@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000611430995 347778397 /nfs/dbraw/zinc/77/83/97/347778397.db2.gz QAOZLOKBQHZYJF-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO CCC[C@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000611430995 347778402 /nfs/dbraw/zinc/77/84/02/347778402.db2.gz QAOZLOKBQHZYJF-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO CCC[C@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000611430995 347778405 /nfs/dbraw/zinc/77/84/05/347778405.db2.gz QAOZLOKBQHZYJF-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO N#CCCN1CC[NH+]([C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000611174191 347747019 /nfs/dbraw/zinc/74/70/19/347747019.db2.gz XRKHUSPDAZJBRX-INIZCTEOSA-N 1 2 291.345 2.483 20 30 CEEDLO C[C@H](N[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000611586605 347797496 /nfs/dbraw/zinc/79/74/96/347797496.db2.gz FOJCCPOHRUKKGM-WCQYABFASA-N 1 2 261.344 2.442 20 30 CEEDLO C[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000611586605 347797500 /nfs/dbraw/zinc/79/75/00/347797500.db2.gz FOJCCPOHRUKKGM-WCQYABFASA-N 1 2 261.344 2.442 20 30 CEEDLO N#CCCN(C(=O)C[N@H+]1CC=CCC1)c1ccccc1 ZINC000611517349 347789168 /nfs/dbraw/zinc/78/91/68/347789168.db2.gz SCXDNUQFIVPMPK-UHFFFAOYSA-N 1 2 269.348 2.195 20 30 CEEDLO N#CCCN(C(=O)C[N@@H+]1CC=CCC1)c1ccccc1 ZINC000611517349 347789170 /nfs/dbraw/zinc/78/91/70/347789170.db2.gz SCXDNUQFIVPMPK-UHFFFAOYSA-N 1 2 269.348 2.195 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC[NH+]1CCOCC1 ZINC000336855510 365927449 /nfs/dbraw/zinc/92/74/49/365927449.db2.gz IGWCZUMXQMZTJR-ROUUACIJSA-N 1 2 299.418 2.090 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166039 347853075 /nfs/dbraw/zinc/85/30/75/347853075.db2.gz SSCCEMFBYVHNAQ-HOCLYGCPSA-N 1 2 277.412 2.425 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166039 347853077 /nfs/dbraw/zinc/85/30/77/347853077.db2.gz SSCCEMFBYVHNAQ-HOCLYGCPSA-N 1 2 277.412 2.425 20 30 CEEDLO Cn1cc(-c2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)on2)cn1 ZINC000613583254 348074063 /nfs/dbraw/zinc/07/40/63/348074063.db2.gz GFEGGGPORJTPCT-OAHLLOKOSA-N 1 2 285.351 2.201 20 30 CEEDLO Cn1cc(-c2cc(C[N@H+]3CCC[C@](C)(C#N)C3)on2)cn1 ZINC000613583254 348074067 /nfs/dbraw/zinc/07/40/67/348074067.db2.gz GFEGGGPORJTPCT-OAHLLOKOSA-N 1 2 285.351 2.201 20 30 CEEDLO C[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1cccc(C#N)c1 ZINC000613383442 348036123 /nfs/dbraw/zinc/03/61/23/348036123.db2.gz UOZKLEIDWNCYQP-NSHDSACASA-N 1 2 284.367 2.151 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000614962455 348260243 /nfs/dbraw/zinc/26/02/43/348260243.db2.gz DPERIKIJYLKPLV-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c[nH]nc2C1 ZINC000614962455 348260248 /nfs/dbraw/zinc/26/02/48/348260248.db2.gz DPERIKIJYLKPLV-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000614962455 348260253 /nfs/dbraw/zinc/26/02/53/348260253.db2.gz DPERIKIJYLKPLV-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2cn[nH]c2C1 ZINC000614962455 348260256 /nfs/dbraw/zinc/26/02/56/348260256.db2.gz DPERIKIJYLKPLV-LLVKDONJSA-N 1 2 252.321 2.401 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(C)C1CC1)Cc1cccs1 ZINC000067456875 362908542 /nfs/dbraw/zinc/90/85/42/362908542.db2.gz PUSUOBJHQQJQDF-UHFFFAOYSA-N 1 2 264.394 2.357 20 30 CEEDLO C=CC[N@H+](CC(=O)N(C)C1CC1)Cc1cccs1 ZINC000067456875 362908546 /nfs/dbraw/zinc/90/85/46/362908546.db2.gz PUSUOBJHQQJQDF-UHFFFAOYSA-N 1 2 264.394 2.357 20 30 CEEDLO CCn1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000616785282 348573896 /nfs/dbraw/zinc/57/38/96/348573896.db2.gz KLNUTJYNEHXMOD-INIZCTEOSA-N 1 2 296.374 2.038 20 30 CEEDLO CCn1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000616785282 348573900 /nfs/dbraw/zinc/57/39/00/348573900.db2.gz KLNUTJYNEHXMOD-INIZCTEOSA-N 1 2 296.374 2.038 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000619450157 349183928 /nfs/dbraw/zinc/18/39/28/349183928.db2.gz OYIAVFLYIUXYAP-INIZCTEOSA-N 1 2 294.358 2.028 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H](C)Cc1cccs1)C(=O)OC ZINC000619509422 349191367 /nfs/dbraw/zinc/19/13/67/349191367.db2.gz FCBZMCWFBPHRCJ-YPMHNXCESA-N 1 2 283.393 2.013 20 30 CEEDLO C=C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)C(=O)OC ZINC000619702419 349223379 /nfs/dbraw/zinc/22/33/79/349223379.db2.gz MHBVZUOXDLAAMW-FRRDWIJNSA-N 1 2 269.385 2.145 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCOc1ccccc1C ZINC000619716291 349226074 /nfs/dbraw/zinc/22/60/74/349226074.db2.gz 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C[N@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000342637273 367461688 /nfs/dbraw/zinc/46/16/88/367461688.db2.gz NEBSKUFJLLKFDL-INIZCTEOSA-N 1 2 295.342 2.389 20 30 CEEDLO C[N@@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000342637273 367461690 /nfs/dbraw/zinc/46/16/90/367461690.db2.gz NEBSKUFJLLKFDL-INIZCTEOSA-N 1 2 295.342 2.389 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)NCCCCC#N)cn21 ZINC000171741206 367606826 /nfs/dbraw/zinc/60/68/26/367606826.db2.gz PVHCNQLICXAPMT-UHFFFAOYSA-N 1 2 285.351 2.136 20 30 CEEDLO N#CC1(F)CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000343229296 367715270 /nfs/dbraw/zinc/71/52/70/367715270.db2.gz RCSDWTAJODZXEW-UHFFFAOYSA-N 1 2 289.358 2.299 20 30 CEEDLO N#CC1(F)CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000343229296 367715275 /nfs/dbraw/zinc/71/52/75/367715275.db2.gz RCSDWTAJODZXEW-UHFFFAOYSA-N 1 2 289.358 2.299 20 30 CEEDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000175046222 368092840 /nfs/dbraw/zinc/09/28/40/368092840.db2.gz RMPNJFVHFJPTQU-LLVKDONJSA-N 1 2 286.335 2.281 20 30 CEEDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000175046222 368092846 /nfs/dbraw/zinc/09/28/46/368092846.db2.gz RMPNJFVHFJPTQU-LLVKDONJSA-N 1 2 286.335 2.281 20 30 CEEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000176827717 368253901 /nfs/dbraw/zinc/25/39/01/368253901.db2.gz SHIFQFMUFWOHLV-UHFFFAOYSA-N 1 2 264.300 2.082 20 30 CEEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000176827717 368253905 /nfs/dbraw/zinc/25/39/05/368253905.db2.gz SHIFQFMUFWOHLV-UHFFFAOYSA-N 1 2 264.300 2.082 20 30 CEEDLO N#Cc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)o1 ZINC000180299207 368376298 /nfs/dbraw/zinc/37/62/98/368376298.db2.gz AINWCSLZJSZJFW-UHFFFAOYSA-N 1 2 298.346 2.119 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000634581040 368726969 /nfs/dbraw/zinc/72/69/69/368726969.db2.gz PAZHFYVSTDRMNT-MFKMUULPSA-N 1 2 268.307 2.117 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000185573462 368825726 /nfs/dbraw/zinc/82/57/26/368825726.db2.gz CXIJGHFXSWKCPD-OAHLLOKOSA-N 1 2 299.418 2.336 20 30 CEEDLO CC#CCCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000185573532 368825839 /nfs/dbraw/zinc/82/58/39/368825839.db2.gz NOKLCHPOTLVIPO-INIZCTEOSA-N 1 2 299.418 2.480 20 30 CEEDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000185276902 368780361 /nfs/dbraw/zinc/78/03/61/368780361.db2.gz WREDQQDQFWZRKC-GFCCVEGCSA-N 1 2 299.403 2.293 20 30 CEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000348075914 368886426 /nfs/dbraw/zinc/88/64/26/368886426.db2.gz JIADKQISZBAIIH-JTQLQIEISA-N 1 2 256.309 2.295 20 30 CEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)n1 ZINC000348107445 368900792 /nfs/dbraw/zinc/90/07/92/368900792.db2.gz IFGQSWVNIRESTH-MRVPVSSYSA-N 1 2 260.272 2.240 20 30 CEEDLO C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1[nH+]ccn1C ZINC000186016392 368906507 /nfs/dbraw/zinc/90/65/07/368906507.db2.gz BYGMPFNWPDRWCI-LLVKDONJSA-N 1 2 293.334 2.046 20 30 CEEDLO C#CCC(C)(C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000186238796 368944200 /nfs/dbraw/zinc/94/42/00/368944200.db2.gz WZNKAIGXELHJAF-UHFFFAOYSA-N 1 2 273.380 2.439 20 30 CEEDLO CCOC(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186354465 368960937 /nfs/dbraw/zinc/96/09/37/368960937.db2.gz OEZAPHXXQUIGSP-CYBMUJFWSA-N 1 2 287.363 2.393 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000348316674 368999015 /nfs/dbraw/zinc/99/90/15/368999015.db2.gz DHDJDCUHTSPPSA-GFCCVEGCSA-N 1 2 295.342 2.382 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1CO ZINC000186957406 369075679 /nfs/dbraw/zinc/07/56/79/369075679.db2.gz QPGMDKWQXPRQRT-ZDUSSCGKSA-N 1 2 250.729 2.168 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000186957406 369075682 /nfs/dbraw/zinc/07/56/82/369075682.db2.gz QPGMDKWQXPRQRT-ZDUSSCGKSA-N 1 2 250.729 2.168 20 30 CEEDLO C=CCN(CCOC)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635847920 369375535 /nfs/dbraw/zinc/37/55/35/369375535.db2.gz DNWCHMRUKWKLOL-AWEZNQCLSA-N 1 2 279.384 2.131 20 30 CEEDLO C=CCOc1ccc(CNC(=O)Cc2[nH]cc(CC)[nH+]2)cc1 ZINC000635913674 369403145 /nfs/dbraw/zinc/40/31/45/369403145.db2.gz COANKZVFSIMISH-UHFFFAOYSA-N 1 2 299.374 2.396 20 30 CEEDLO C=C(CC)CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636006015 369454200 /nfs/dbraw/zinc/45/42/00/369454200.db2.gz FYWHAISLSWPZAV-JTQLQIEISA-N 1 2 275.274 2.459 20 30 CEEDLO C=CCOc1ccc(C[NH2+][C@H](C(=O)OC)C2CC2)cc1 ZINC000349946772 369461112 /nfs/dbraw/zinc/46/11/12/369461112.db2.gz UQFXEVBCJCAEFD-HNNXBMFYSA-N 1 2 275.348 2.293 20 30 CEEDLO Cc1ccc[nH+]c1CCc1noc(-c2cc(C#N)cn2C)n1 ZINC000351128634 369608561 /nfs/dbraw/zinc/60/85/61/369608561.db2.gz JLOBMZWEKPAEFS-UHFFFAOYSA-N 1 2 293.330 2.435 20 30 CEEDLO COc1ccc2cc(C[NH+]3CC(O)(CC#N)C3)ccc2c1 ZINC000190981296 369666646 /nfs/dbraw/zinc/66/66/46/369666646.db2.gz OTYVKMAWNCUDNK-UHFFFAOYSA-N 1 2 282.343 2.309 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000191076951 369674906 /nfs/dbraw/zinc/67/49/06/369674906.db2.gz UQGHJYRMYYWTHG-UHFFFAOYSA-N 1 2 268.288 2.368 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000191076951 369674910 /nfs/dbraw/zinc/67/49/10/369674910.db2.gz UQGHJYRMYYWTHG-UHFFFAOYSA-N 1 2 268.288 2.368 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccsc1C(=O)OC ZINC000191077454 369675075 /nfs/dbraw/zinc/67/50/75/369675075.db2.gz PXYWFQPNECMHNA-UHFFFAOYSA-N 1 2 269.366 2.169 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccsc1C(=O)OC ZINC000191077454 369675082 /nfs/dbraw/zinc/67/50/82/369675082.db2.gz PXYWFQPNECMHNA-UHFFFAOYSA-N 1 2 269.366 2.169 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000191087261 369676956 /nfs/dbraw/zinc/67/69/56/369676956.db2.gz KRKKMWHUDRAJKV-CQSZACIVSA-N 1 2 286.379 2.463 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000191087261 369676958 /nfs/dbraw/zinc/67/69/58/369676958.db2.gz KRKKMWHUDRAJKV-CQSZACIVSA-N 1 2 286.379 2.463 20 30 CEEDLO C[N@H+](Cc1ccoc1)Cc1cnc2ccc(C#N)cn12 ZINC000352655859 369822683 /nfs/dbraw/zinc/82/26/83/369822683.db2.gz XFILVOZTYJUUGV-UHFFFAOYSA-N 1 2 266.304 2.431 20 30 CEEDLO C[N@@H+](Cc1ccoc1)Cc1cnc2ccc(C#N)cn12 ZINC000352655859 369822684 /nfs/dbraw/zinc/82/26/84/369822684.db2.gz XFILVOZTYJUUGV-UHFFFAOYSA-N 1 2 266.304 2.431 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(OCCCC)c1 ZINC000192225759 369782364 /nfs/dbraw/zinc/78/23/64/369782364.db2.gz BIRMWDUONIDKGQ-UHFFFAOYSA-N 1 2 288.391 2.047 20 30 CEEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(OCCCC)c1 ZINC000192225759 369782369 /nfs/dbraw/zinc/78/23/69/369782369.db2.gz BIRMWDUONIDKGQ-UHFFFAOYSA-N 1 2 288.391 2.047 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccc3c(c2)OCCO3)n1 ZINC000352841888 369908193 /nfs/dbraw/zinc/90/81/93/369908193.db2.gz TVJARFDNSHSUTL-UHFFFAOYSA-N 1 2 287.344 2.076 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2cnn(-c3ccccc3)c2)n1 ZINC000352857344 369917082 /nfs/dbraw/zinc/91/70/82/369917082.db2.gz YMCIKIIPSLIFJC-UHFFFAOYSA-N 1 2 295.371 2.490 20 30 CEEDLO COc1cnccc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352906420 369943045 /nfs/dbraw/zinc/94/30/45/369943045.db2.gz VYXOHBBYFAEFFE-SECBINFHSA-N 1 2 274.349 2.269 20 30 CEEDLO CN(C)c1ncc(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000354040920 370192099 /nfs/dbraw/zinc/19/20/99/370192099.db2.gz PLCUZCGWRKPOEJ-UHFFFAOYSA-N 1 2 252.387 2.191 20 30 CEEDLO CN(C)c1ncc(C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000354040920 370192105 /nfs/dbraw/zinc/19/21/05/370192105.db2.gz PLCUZCGWRKPOEJ-UHFFFAOYSA-N 1 2 252.387 2.191 20 30 CEEDLO COC(=O)C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000223518800 370267296 /nfs/dbraw/zinc/26/72/96/370267296.db2.gz AGASLEXOLWAHBO-UHFFFAOYSA-N 1 2 276.311 2.082 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)n1 ZINC000354401197 370347406 /nfs/dbraw/zinc/34/74/06/370347406.db2.gz GZISCNNAVFYXRT-AWEZNQCLSA-N 1 2 289.404 2.406 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)n1 ZINC000354401197 370347411 /nfs/dbraw/zinc/34/74/11/370347411.db2.gz GZISCNNAVFYXRT-AWEZNQCLSA-N 1 2 289.404 2.406 20 30 CEEDLO CN(C)c1ccc(CNc2cnccc2C#N)c[nH+]1 ZINC000354568343 370414277 /nfs/dbraw/zinc/41/42/77/370414277.db2.gz ZMLBEUOMTKXQCE-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC000358289304 370994259 /nfs/dbraw/zinc/99/42/59/370994259.db2.gz FZTCERXZHVTTSF-NSHDSACASA-N 1 2 262.309 2.206 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247037139 371052849 /nfs/dbraw/zinc/05/28/49/371052849.db2.gz NUAJIZWCRUZNRB-BBRMVZONSA-N 1 2 289.379 2.471 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000247037139 371052854 /nfs/dbraw/zinc/05/28/54/371052854.db2.gz NUAJIZWCRUZNRB-BBRMVZONSA-N 1 2 289.379 2.471 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000248034464 371157120 /nfs/dbraw/zinc/15/71/20/371157120.db2.gz KYIGWGKYTRQNRA-CABCVRRESA-N 1 2 282.428 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC)C1 ZINC000248034464 371157122 /nfs/dbraw/zinc/15/71/22/371157122.db2.gz KYIGWGKYTRQNRA-CABCVRRESA-N 1 2 282.428 2.300 20 30 CEEDLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000359046673 371316294 /nfs/dbraw/zinc/31/62/94/371316294.db2.gz LZDTXICPZBADOS-SNVBAGLBSA-N 1 2 273.315 2.160 20 30 CEEDLO COc1cc(CNC(=O)Nc2cc[nH+]cc2C)ccc1C#N ZINC000353290848 220011561 /nfs/dbraw/zinc/01/15/61/220011561.db2.gz HJSBOHPIEPJPMJ-UHFFFAOYSA-N 1 2 296.330 2.014 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000249872112 371368489 /nfs/dbraw/zinc/36/84/89/371368489.db2.gz KHKAEDWXDOSGRF-UONOGXRCSA-N 1 2 263.385 2.057 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000249872112 371368492 /nfs/dbraw/zinc/36/84/92/371368492.db2.gz KHKAEDWXDOSGRF-UONOGXRCSA-N 1 2 263.385 2.057 20 30 CEEDLO CC(C)=CC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361047896 371619814 /nfs/dbraw/zinc/61/98/14/371619814.db2.gz GLPOZKQTCMHCEI-UHFFFAOYSA-N 1 2 283.375 2.169 20 30 CEEDLO CC(C)=CC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361047896 371619818 /nfs/dbraw/zinc/61/98/18/371619818.db2.gz GLPOZKQTCMHCEI-UHFFFAOYSA-N 1 2 283.375 2.169 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925015 371673577 /nfs/dbraw/zinc/67/35/77/371673577.db2.gz HMRIOUSBZWHRMU-YPMHNXCESA-N 1 2 262.353 2.353 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925015 371673582 /nfs/dbraw/zinc/67/35/82/371673582.db2.gz HMRIOUSBZWHRMU-YPMHNXCESA-N 1 2 262.353 2.353 20 30 CEEDLO C=C1CC[NH+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000264437663 371994515 /nfs/dbraw/zinc/99/45/15/371994515.db2.gz FDHIMTDOFIHORZ-ZDUSSCGKSA-N 1 2 299.374 2.012 20 30 CEEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000361583075 371949210 /nfs/dbraw/zinc/94/92/10/371949210.db2.gz BMBSUTCUBPPZFP-QGZVFWFLSA-N 1 2 283.375 2.119 20 30 CEEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000361583075 371949212 /nfs/dbraw/zinc/94/92/12/371949212.db2.gz BMBSUTCUBPPZFP-QGZVFWFLSA-N 1 2 283.375 2.119 20 30 CEEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000267192245 372059540 /nfs/dbraw/zinc/05/95/40/372059540.db2.gz HNEIKZGTGZLNRZ-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000361869132 372108039 /nfs/dbraw/zinc/10/80/39/372108039.db2.gz RJULVHKTIAOOGJ-UHFFFAOYSA-N 1 2 296.414 2.371 20 30 CEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC#Cc1ccccc1 ZINC000361869132 372108044 /nfs/dbraw/zinc/10/80/44/372108044.db2.gz RJULVHKTIAOOGJ-UHFFFAOYSA-N 1 2 296.414 2.371 20 30 CEEDLO Cc1ccn2cc(C[NH2+]Cc3ccc(C#N)o3)nc2c1 ZINC000344218930 217105227 /nfs/dbraw/zinc/10/52/27/217105227.db2.gz TZHNURGFZALKEC-UHFFFAOYSA-N 1 2 266.304 2.397 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2cccc(C)c2)nn1 ZINC000641074001 372280769 /nfs/dbraw/zinc/28/07/69/372280769.db2.gz FBTYCTRRNNBCSU-CQSZACIVSA-N 1 2 268.364 2.309 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269484497 372464133 /nfs/dbraw/zinc/46/41/33/372464133.db2.gz LBODZDZCMNESAU-UHFFFAOYSA-N 1 2 273.336 2.381 20 30 CEEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(C#N)o1)C[C@H](C)O2 ZINC000366770413 373121484 /nfs/dbraw/zinc/12/14/84/373121484.db2.gz QFQQDCAWVWFKOZ-DVOMOZLQSA-N 1 2 290.363 2.310 20 30 CEEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(C#N)o1)C[C@H](C)O2 ZINC000366770413 373121494 /nfs/dbraw/zinc/12/14/94/373121494.db2.gz QFQQDCAWVWFKOZ-DVOMOZLQSA-N 1 2 290.363 2.310 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[C@](F)(C(=O)OC)C2)c1 ZINC000271188606 373171268 /nfs/dbraw/zinc/17/12/68/373171268.db2.gz FKBMHMQVIRVYGZ-MRXNPFEDSA-N 1 2 293.338 2.338 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[C@](F)(C(=O)OC)C2)c1 ZINC000271188606 373171278 /nfs/dbraw/zinc/17/12/78/373171278.db2.gz FKBMHMQVIRVYGZ-MRXNPFEDSA-N 1 2 293.338 2.338 20 30 CEEDLO N#Cc1cccc(Cl)c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000371108628 373790048 /nfs/dbraw/zinc/79/00/48/373790048.db2.gz SCGRQUBETLXAKH-CYBMUJFWSA-N 1 2 291.782 2.123 20 30 CEEDLO COCC#CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000645250082 373948092 /nfs/dbraw/zinc/94/80/92/373948092.db2.gz XPZSYQWRXFOVNE-OAHLLOKOSA-N 1 2 279.767 2.363 20 30 CEEDLO COCC#CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000645250082 373948100 /nfs/dbraw/zinc/94/81/00/373948100.db2.gz XPZSYQWRXFOVNE-OAHLLOKOSA-N 1 2 279.767 2.363 20 30 CEEDLO CC(C)OC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000372117869 374046679 /nfs/dbraw/zinc/04/66/79/374046679.db2.gz XCMQPJPRJQAHOM-MRXNPFEDSA-N 1 2 274.364 2.184 20 30 CEEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000372117869 374046685 /nfs/dbraw/zinc/04/66/85/374046685.db2.gz XCMQPJPRJQAHOM-MRXNPFEDSA-N 1 2 274.364 2.184 20 30 CEEDLO C=C(C)CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645433016 374052906 /nfs/dbraw/zinc/05/29/06/374052906.db2.gz LVXYHJLIZWECGN-UHFFFAOYSA-N 1 2 286.379 2.451 20 30 CEEDLO C=C(C)CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000275053467 374140370 /nfs/dbraw/zinc/14/03/70/374140370.db2.gz WWPLCINDRTWTIQ-UHFFFAOYSA-N 1 2 258.325 2.018 20 30 CEEDLO C#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000375736501 374673816 /nfs/dbraw/zinc/67/38/16/374673816.db2.gz OOIXAVSNDMUOSY-SFHVURJKSA-N 1 2 290.366 2.080 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000375736501 374673822 /nfs/dbraw/zinc/67/38/22/374673822.db2.gz OOIXAVSNDMUOSY-SFHVURJKSA-N 1 2 290.366 2.080 20 30 CEEDLO C=CCCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000279585186 374926240 /nfs/dbraw/zinc/92/62/40/374926240.db2.gz PTHNNYUBTRSRHZ-UHFFFAOYSA-N 1 2 272.352 2.408 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000280122091 375098563 /nfs/dbraw/zinc/09/85/63/375098563.db2.gz WVHCZJJTYQKEBN-UHFFFAOYSA-N 1 2 274.364 2.184 20 30 CEEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000574584103 335031895 /nfs/dbraw/zinc/03/18/95/335031895.db2.gz BONAGESXDSWDEB-INIZCTEOSA-N 1 2 288.391 2.061 20 30 CEEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000574584103 335031897 /nfs/dbraw/zinc/03/18/97/335031897.db2.gz BONAGESXDSWDEB-INIZCTEOSA-N 1 2 288.391 2.061 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000280621999 375263248 /nfs/dbraw/zinc/26/32/48/375263248.db2.gz GWNBRYVFTLKGHM-JSGCOSHPSA-N 1 2 275.352 2.493 20 30 CEEDLO C[N@@H+]1CCO[C@H](CSc2nccc(C#N)c2Cl)C1 ZINC000400764745 375373648 /nfs/dbraw/zinc/37/36/48/375373648.db2.gz JTZHCVHQDWCFNP-JTQLQIEISA-N 1 2 283.784 2.029 20 30 CEEDLO C[N@H+]1CCO[C@H](CSc2nccc(C#N)c2Cl)C1 ZINC000400764745 375373657 /nfs/dbraw/zinc/37/36/57/375373657.db2.gz JTZHCVHQDWCFNP-JTQLQIEISA-N 1 2 283.784 2.029 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncnn1CCF ZINC000281552605 375386541 /nfs/dbraw/zinc/38/65/41/375386541.db2.gz ZCJGKNUBXLFOQU-UHFFFAOYSA-N 1 2 288.370 2.478 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncnn1CCF ZINC000281552605 375386548 /nfs/dbraw/zinc/38/65/48/375386548.db2.gz ZCJGKNUBXLFOQU-UHFFFAOYSA-N 1 2 288.370 2.478 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(Cl)c1F ZINC000414121270 375796602 /nfs/dbraw/zinc/79/66/02/375796602.db2.gz GFYKVYKDBAVQDA-JTQLQIEISA-N 1 2 286.734 2.064 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(Cl)c1F ZINC000414121270 375796608 /nfs/dbraw/zinc/79/66/08/375796608.db2.gz GFYKVYKDBAVQDA-JTQLQIEISA-N 1 2 286.734 2.064 20 30 CEEDLO Cc1cccc(Cl)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414139589 375798364 /nfs/dbraw/zinc/79/83/64/375798364.db2.gz KXTYYSILOYZTEX-LBPRGKRZSA-N 1 2 282.771 2.234 20 30 CEEDLO Cc1cccc(Cl)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414139589 375798368 /nfs/dbraw/zinc/79/83/68/375798368.db2.gz KXTYYSILOYZTEX-LBPRGKRZSA-N 1 2 282.771 2.234 20 30 CEEDLO CC(C)(CC#N)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000414167728 375799544 /nfs/dbraw/zinc/79/95/44/375799544.db2.gz POUSCWWJFFSCDH-CYBMUJFWSA-N 1 2 269.352 2.424 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000289382087 376392659 /nfs/dbraw/zinc/39/26/59/376392659.db2.gz MOMFDBZBKYBFGF-QMMMGPOBSA-N 1 2 284.153 2.275 20 30 CEEDLO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000264285471 190101549 /nfs/dbraw/zinc/10/15/49/190101549.db2.gz PPYCPCHARGMYKE-GHMZBOCLSA-N 1 2 295.333 2.358 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000560272063 376727875 /nfs/dbraw/zinc/72/78/75/376727875.db2.gz UOWATEFEAOVNON-LBPRGKRZSA-N 1 2 283.335 2.112 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCCC(=O)N1 ZINC000328783219 376897356 /nfs/dbraw/zinc/89/73/56/376897356.db2.gz HVNGOIKTDVABIU-LLVKDONJSA-N 1 2 276.340 2.113 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000328809918 376901688 /nfs/dbraw/zinc/90/16/88/376901688.db2.gz DZJCMKWFQGXVEK-LBPRGKRZSA-N 1 2 265.357 2.267 20 30 CEEDLO CCN(C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000328710785 376883316 /nfs/dbraw/zinc/88/33/16/376883316.db2.gz MWNCFBPYGKZNAF-GFCCVEGCSA-N 1 2 276.384 2.467 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cncnc1C)CCC2 ZINC000328813395 376904352 /nfs/dbraw/zinc/90/43/52/376904352.db2.gz NDTURNDWEUOLQV-LBPRGKRZSA-N 1 2 285.351 2.172 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000329078022 376930406 /nfs/dbraw/zinc/93/04/06/376930406.db2.gz QKAFHBXEQRLGAT-GNRIBBGQSA-N 1 2 295.427 2.073 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000329078022 376930412 /nfs/dbraw/zinc/93/04/12/376930412.db2.gz QKAFHBXEQRLGAT-GNRIBBGQSA-N 1 2 295.427 2.073 20 30 CEEDLO O=C(CN1CCn2cc[nH+]c2C1)NCC1CCCCC1 ZINC000329316197 376944211 /nfs/dbraw/zinc/94/42/11/376944211.db2.gz HKJFWXYANTYRKQ-UHFFFAOYSA-N 1 2 276.384 2.236 20 30 CEEDLO CO[C@@H]1CCC[C@H]1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329341332 376949679 /nfs/dbraw/zinc/94/96/79/376949679.db2.gz SBHBHIGPNJUHJV-UONOGXRCSA-N 1 2 296.411 2.013 20 30 CEEDLO CCC[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000329399287 376959765 /nfs/dbraw/zinc/95/97/65/376959765.db2.gz VMHVMMXUVVWPJJ-WFASDCNBSA-N 1 2 277.368 2.361 20 30 CEEDLO Cc1cc(NC(=O)NC2(CCO)CCCCC2)cc[nH+]1 ZINC000330595138 377194547 /nfs/dbraw/zinc/19/45/47/377194547.db2.gz UCRHRULYFOKGSE-UHFFFAOYSA-N 1 2 277.368 2.223 20 30 CEEDLO CC[C@](C)(C(=O)OC)[N@H+](CC1CC1)CC1(C#N)CC1 ZINC000425518170 377360070 /nfs/dbraw/zinc/36/00/70/377360070.db2.gz YCGHQPLAEKNENG-CQSZACIVSA-N 1 2 264.369 2.344 20 30 CEEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC1CC1)CC1(C#N)CC1 ZINC000425518170 377360075 /nfs/dbraw/zinc/36/00/75/377360075.db2.gz YCGHQPLAEKNENG-CQSZACIVSA-N 1 2 264.369 2.344 20 30 CEEDLO CCOc1c(OC)cc(C[NH2+]CCC#N)cc1OC ZINC000425989473 377391515 /nfs/dbraw/zinc/39/15/15/377391515.db2.gz KULBZYAKWGMFCR-UHFFFAOYSA-N 1 2 264.325 2.106 20 30 CEEDLO Cc1ccc2[nH]c(C[NH2+]C[C@@H](C#N)CCC#N)nc2c1 ZINC000564720057 377440139 /nfs/dbraw/zinc/44/01/39/377440139.db2.gz NLAKLOMNUBQTJD-GFCCVEGCSA-N 1 2 267.336 2.404 20 30 CEEDLO Cc1ccc2nc(C[NH2+]C[C@@H](C#N)CCC#N)[nH]c2c1 ZINC000564720057 377440147 /nfs/dbraw/zinc/44/01/47/377440147.db2.gz NLAKLOMNUBQTJD-GFCCVEGCSA-N 1 2 267.336 2.404 20 30 CEEDLO CCc1ccc(C#CC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000293129539 377440241 /nfs/dbraw/zinc/44/02/41/377440241.db2.gz JXLSMAJELYLRJU-HNNXBMFYSA-N 1 2 295.386 2.250 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCCC#N ZINC000428976415 377502991 /nfs/dbraw/zinc/50/29/91/377502991.db2.gz HKBIFQKHPYOZRI-UHFFFAOYSA-N 1 2 291.399 2.171 20 30 CEEDLO C#CCCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000265094566 190157300 /nfs/dbraw/zinc/15/73/00/190157300.db2.gz VBPXRBAIFYTYGV-UHFFFAOYSA-N 1 2 284.363 2.057 20 30 CEEDLO CC#CCCNC(=O)Cn1c2ccccc2[nH+]c1CC ZINC000565117925 377567673 /nfs/dbraw/zinc/56/76/73/377567673.db2.gz YARICBYYSUYKQC-UHFFFAOYSA-N 1 2 269.348 2.128 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433109728 377780142 /nfs/dbraw/zinc/78/01/42/377780142.db2.gz LWSMNAYSIUOSNV-CZUORRHYSA-N 1 2 290.411 2.217 20 30 CEEDLO CC(C)N(C(=O)C[N@H+](C)CC(C)(C)C#N)C(C)C ZINC000433284416 377785299 /nfs/dbraw/zinc/78/52/99/377785299.db2.gz FXMQBTSFNNLAIH-UHFFFAOYSA-N 1 2 253.390 2.113 20 30 CEEDLO CC(C)N(C(=O)C[N@@H+](C)CC(C)(C)C#N)C(C)C ZINC000433284416 377785305 /nfs/dbraw/zinc/78/53/05/377785305.db2.gz FXMQBTSFNNLAIH-UHFFFAOYSA-N 1 2 253.390 2.113 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000435604911 377806563 /nfs/dbraw/zinc/80/65/63/377806563.db2.gz QOVKWUAGCNSMAO-JSGCOSHPSA-N 1 2 259.353 2.169 20 30 CEEDLO C[C@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449022801 378197216 /nfs/dbraw/zinc/19/72/16/378197216.db2.gz KPPRZWJCNPGKPC-OLZOCXBDSA-N 1 2 294.420 2.428 20 30 CEEDLO C[C@H](C[N@H+](C)[C@@H](C)CC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449022801 378197220 /nfs/dbraw/zinc/19/72/20/378197220.db2.gz KPPRZWJCNPGKPC-OLZOCXBDSA-N 1 2 294.420 2.428 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCCC12CCC2)C(=O)OC ZINC000449298401 378200645 /nfs/dbraw/zinc/20/06/45/378200645.db2.gz HOZGSHRPIKEDKA-CHWSQXEVSA-N 1 2 267.369 2.043 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](SC)C1 ZINC000296221812 378458204 /nfs/dbraw/zinc/45/82/04/378458204.db2.gz KEVVQUNIBPONEZ-KGLIPLIRSA-N 1 2 290.388 2.210 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](SC)C1 ZINC000296221812 378458211 /nfs/dbraw/zinc/45/82/11/378458211.db2.gz KEVVQUNIBPONEZ-KGLIPLIRSA-N 1 2 290.388 2.210 20 30 CEEDLO C#CC[C@@H](NC(=O)NCc1[nH+]ccn1CC)c1ccccc1 ZINC000296418715 378525340 /nfs/dbraw/zinc/52/53/40/378525340.db2.gz IAHHICKZWSIHMW-OAHLLOKOSA-N 1 2 296.374 2.467 20 30 CEEDLO C=C(C)CCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000450708321 378540400 /nfs/dbraw/zinc/54/04/00/378540400.db2.gz CLXULIPWHDWBTJ-ZDUSSCGKSA-N 1 2 276.384 2.206 20 30 CEEDLO C=C(C)CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000450708321 378540405 /nfs/dbraw/zinc/54/04/05/378540405.db2.gz CLXULIPWHDWBTJ-ZDUSSCGKSA-N 1 2 276.384 2.206 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000450697216 378535543 /nfs/dbraw/zinc/53/55/43/378535543.db2.gz HVLJKQVOAQBMRL-UHFFFAOYSA-N 1 2 258.325 2.448 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000450697216 378535550 /nfs/dbraw/zinc/53/55/50/378535550.db2.gz HVLJKQVOAQBMRL-UHFFFAOYSA-N 1 2 258.325 2.448 20 30 CEEDLO N#Cc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)ccc1F ZINC000346829286 218027296 /nfs/dbraw/zinc/02/72/96/218027296.db2.gz PGFQCIXYXXBJSP-UHFFFAOYSA-N 1 2 294.289 2.275 20 30 CEEDLO N#Cc1nccnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301170608 379210327 /nfs/dbraw/zinc/21/03/27/379210327.db2.gz JWTJFEQVXVEXRS-UHFFFAOYSA-N 1 2 290.330 2.205 20 30 CEEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000516580611 379294189 /nfs/dbraw/zinc/29/41/89/379294189.db2.gz MBPPIUZNXHDLJZ-HNNXBMFYSA-N 1 2 289.354 2.335 20 30 CEEDLO N#Cc1cccc(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000301298905 379250952 /nfs/dbraw/zinc/25/09/52/379250952.db2.gz ZKHDJXVHCVCITD-UHFFFAOYSA-N 1 2 279.347 2.429 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2F)C1=O ZINC000519825392 379460331 /nfs/dbraw/zinc/46/03/31/379460331.db2.gz LEQREEDCIFMTOG-HNNXBMFYSA-N 1 2 292.354 2.053 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2F)C1=O ZINC000519825392 379460343 /nfs/dbraw/zinc/46/03/43/379460343.db2.gz LEQREEDCIFMTOG-HNNXBMFYSA-N 1 2 292.354 2.053 20 30 CEEDLO C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1(F)F ZINC000528472306 379982386 /nfs/dbraw/zinc/98/23/86/379982386.db2.gz DCAQNJOZHUDQAG-GHMZBOCLSA-N 1 2 258.312 2.018 20 30 CEEDLO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1(F)F ZINC000528472306 379982389 /nfs/dbraw/zinc/98/23/89/379982389.db2.gz DCAQNJOZHUDQAG-GHMZBOCLSA-N 1 2 258.312 2.018 20 30 CEEDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C#N)cc2)[nH]1 ZINC000459704885 380065383 /nfs/dbraw/zinc/06/53/83/380065383.db2.gz MLESQEXXQDAGKR-UHFFFAOYSA-N 1 2 269.352 2.264 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000268145518 190380636 /nfs/dbraw/zinc/38/06/36/190380636.db2.gz IXHQVKDQEUYPOX-UHFFFAOYSA-N 1 2 299.418 2.494 20 30 CEEDLO N#CCC1(O)C[NH+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000530411766 380201815 /nfs/dbraw/zinc/20/18/15/380201815.db2.gz IEGLGGXPWFJBIK-UHFFFAOYSA-N 1 2 279.343 2.209 20 30 CEEDLO COc1ncc(C[N@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000532778737 380216679 /nfs/dbraw/zinc/21/66/79/380216679.db2.gz YTECCERXDALKSR-VIFPVBQESA-N 1 2 253.733 2.478 20 30 CEEDLO COc1ncc(C[N@@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000532778737 380216682 /nfs/dbraw/zinc/21/66/82/380216682.db2.gz YTECCERXDALKSR-VIFPVBQESA-N 1 2 253.733 2.478 20 30 CEEDLO CC#CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000541745618 380279725 /nfs/dbraw/zinc/27/97/25/380279725.db2.gz FBBDQOOAYOGEQK-UHFFFAOYSA-N 1 2 267.332 2.075 20 30 CEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C#N)CC1 ZINC000334354069 380290687 /nfs/dbraw/zinc/29/06/87/380290687.db2.gz YYCROPJYZDQRKU-KGLIPLIRSA-N 1 2 268.364 2.344 20 30 CEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C#N)CC1 ZINC000334354069 380290694 /nfs/dbraw/zinc/29/06/94/380290694.db2.gz YYCROPJYZDQRKU-KGLIPLIRSA-N 1 2 268.364 2.344 20 30 CEEDLO C[C@@](O)(C1CC[NH+](CC2(C#N)CC2)CC1)C(F)(F)F ZINC000545226027 380375949 /nfs/dbraw/zinc/37/59/49/380375949.db2.gz HTKJTQPHQAALFY-LLVKDONJSA-N 1 2 276.302 2.315 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000491646989 380339784 /nfs/dbraw/zinc/33/97/84/380339784.db2.gz VOLODLKVAPIGPY-NSHDSACASA-N 1 2 266.304 2.062 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000491646989 380339789 /nfs/dbraw/zinc/33/97/89/380339789.db2.gz VOLODLKVAPIGPY-NSHDSACASA-N 1 2 266.304 2.062 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(F)c(C#N)c2)c2[nH+]ccn21 ZINC000334768525 207042612 /nfs/dbraw/zinc/04/26/12/207042612.db2.gz LHFKYAUEKCRWGZ-RNCFNFMXSA-N 1 2 284.294 2.330 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cncc(F)c2)n1 ZINC000279323427 194384784 /nfs/dbraw/zinc/38/47/84/194384784.db2.gz BZCALSYSWCSTNW-UHFFFAOYSA-N 1 2 272.327 2.073 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cncc(F)c2)n1 ZINC000279323427 194384787 /nfs/dbraw/zinc/38/47/87/194384787.db2.gz BZCALSYSWCSTNW-UHFFFAOYSA-N 1 2 272.327 2.073 20 30 CEEDLO C#CCCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000192070660 533017635 /nfs/dbraw/zinc/01/76/35/533017635.db2.gz XHMKFMNGDCMNQV-UHFFFAOYSA-N 1 2 271.364 2.102 20 30 CEEDLO C#CCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000192228998 533025865 /nfs/dbraw/zinc/02/58/65/533025865.db2.gz MHUPMNCUUHVONT-UHFFFAOYSA-N 1 2 299.418 2.176 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)ccc1F ZINC000335405985 208383925 /nfs/dbraw/zinc/38/39/25/208383925.db2.gz CMCLQUBIWOFPRT-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)ccc1F ZINC000335405985 208383930 /nfs/dbraw/zinc/38/39/30/208383930.db2.gz CMCLQUBIWOFPRT-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000192219023 262199923 /nfs/dbraw/zinc/19/99/23/262199923.db2.gz HIRLWOBSJDAEPV-UHFFFAOYSA-N 1 2 289.766 2.152 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000192219023 262199925 /nfs/dbraw/zinc/19/99/25/262199925.db2.gz HIRLWOBSJDAEPV-UHFFFAOYSA-N 1 2 289.766 2.152 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1nnc2ccccn21 ZINC000192812872 533460546 /nfs/dbraw/zinc/46/05/46/533460546.db2.gz CKTSYYZXMDFBER-GFCCVEGCSA-N 1 2 277.331 2.452 20 30 CEEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)o2)cn1 ZINC000191735855 130292460 /nfs/dbraw/zinc/29/24/60/130292460.db2.gz QTRJCPGRDPZFSL-AWEZNQCLSA-N 1 2 288.376 2.175 20 30 CEEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)o2)cn1 ZINC000191735855 130292462 /nfs/dbraw/zinc/29/24/62/130292462.db2.gz QTRJCPGRDPZFSL-AWEZNQCLSA-N 1 2 288.376 2.175 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000192228344 130398179 /nfs/dbraw/zinc/39/81/79/130398179.db2.gz OHTMMVNAGHDKOS-LBPRGKRZSA-N 1 2 278.783 2.424 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000192228344 130398184 /nfs/dbraw/zinc/39/81/84/130398184.db2.gz OHTMMVNAGHDKOS-LBPRGKRZSA-N 1 2 278.783 2.424 20 30 CEEDLO Cc1n[nH]cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000091918361 135074387 /nfs/dbraw/zinc/07/43/87/135074387.db2.gz JLCIHTNHPUZTTK-UHFFFAOYSA-N 1 2 299.353 2.051 20 30 CEEDLO CSC[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329538690 394570882 /nfs/dbraw/zinc/57/08/82/394570882.db2.gz CCAOFLABENUOFA-QWRGUYRKSA-N 1 2 294.424 2.008 20 30 CEEDLO CSC[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329538690 394570887 /nfs/dbraw/zinc/57/08/87/394570887.db2.gz CCAOFLABENUOFA-QWRGUYRKSA-N 1 2 294.424 2.008 20 30 CEEDLO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000329814123 394587213 /nfs/dbraw/zinc/58/72/13/394587213.db2.gz DPHBEEBMXCGHRB-UONOGXRCSA-N 1 2 282.347 2.169 20 30 CEEDLO C=C(C)CCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413318339 394525854 /nfs/dbraw/zinc/52/58/54/394525854.db2.gz RZOUXZDZTAXCPL-CHWSQXEVSA-N 1 2 276.384 2.062 20 30 CEEDLO C=C(C)CCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413318339 394525859 /nfs/dbraw/zinc/52/58/59/394525859.db2.gz RZOUXZDZTAXCPL-CHWSQXEVSA-N 1 2 276.384 2.062 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329854838 394590469 /nfs/dbraw/zinc/59/04/69/394590469.db2.gz SWQDYYQVDHZDAA-CHWSQXEVSA-N 1 2 276.384 2.439 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000334202612 394663561 /nfs/dbraw/zinc/66/35/61/394663561.db2.gz PYCFPZSAMAJBON-CYBMUJFWSA-N 1 2 280.331 2.150 20 30 CEEDLO CC[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000330507760 394616972 /nfs/dbraw/zinc/61/69/72/394616972.db2.gz FWMFXHJGVOQXQP-CYBMUJFWSA-N 1 2 285.432 2.035 20 30 CEEDLO CC[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000330507760 394616977 /nfs/dbraw/zinc/61/69/77/394616977.db2.gz FWMFXHJGVOQXQP-CYBMUJFWSA-N 1 2 285.432 2.035 20 30 CEEDLO CC(C)(C#N)CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334269785 394669832 /nfs/dbraw/zinc/66/98/32/394669832.db2.gz DKZSFQDCXGOIGN-LLVKDONJSA-N 1 2 275.356 2.196 20 30 CEEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334326686 394675317 /nfs/dbraw/zinc/67/53/17/394675317.db2.gz BPZRNAZZWYTWEC-CYBMUJFWSA-N 1 2 295.346 2.155 20 30 CEEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334326686 394675318 /nfs/dbraw/zinc/67/53/18/394675318.db2.gz BPZRNAZZWYTWEC-CYBMUJFWSA-N 1 2 295.346 2.155 20 30 CEEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCC#N ZINC000267738969 394684104 /nfs/dbraw/zinc/68/41/04/394684104.db2.gz CBUNXDZELIBSBF-CQSZACIVSA-N 1 2 258.321 2.063 20 30 CEEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCC#N ZINC000267738969 394684105 /nfs/dbraw/zinc/68/41/05/394684105.db2.gz CBUNXDZELIBSBF-CQSZACIVSA-N 1 2 258.321 2.063 20 30 CEEDLO CCOc1ccc(/C=N/OCc2c[nH+]cn2C)cc1 ZINC000267746094 394684181 /nfs/dbraw/zinc/68/41/81/394684181.db2.gz GWARXINCEYEEOV-LZYBPNLTSA-N 1 2 259.309 2.370 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CC2(C3CC3)CC2)c1O ZINC000269712036 394721560 /nfs/dbraw/zinc/72/15/60/394721560.db2.gz QVNCXHZPVQYZPT-FRKPEAEDSA-N 1 2 260.337 2.197 20 30 CEEDLO CC(C)C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000273233202 394786245 /nfs/dbraw/zinc/78/62/45/394786245.db2.gz ABYCHTIHHSYYRY-CQSZACIVSA-N 1 2 285.391 2.419 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)OC ZINC000361110333 394815765 /nfs/dbraw/zinc/81/57/65/394815765.db2.gz PFSDUJORAUSIOI-HIFRSBDPSA-N 1 2 277.364 2.124 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@H+](C)[C@H](C)CC#N ZINC000122845266 394817817 /nfs/dbraw/zinc/81/78/17/394817817.db2.gz WOQHFRGIGYILSR-LLVKDONJSA-N 1 2 278.352 2.446 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000122845266 394817825 /nfs/dbraw/zinc/81/78/25/394817825.db2.gz WOQHFRGIGYILSR-LLVKDONJSA-N 1 2 278.352 2.446 20 30 CEEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1ccc(F)c(F)c1 ZINC000123420549 394826902 /nfs/dbraw/zinc/82/69/02/394826902.db2.gz ZBMSDMCVYWZZGM-UHFFFAOYSA-N 1 2 294.261 2.062 20 30 CEEDLO NC(CCO)=[NH+]OCc1csc(-c2cccs2)n1 ZINC000136073403 394969628 /nfs/dbraw/zinc/96/96/28/394969628.db2.gz IQYQHOYMWPCOEC-UHFFFAOYSA-N 1 2 283.378 2.043 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@@H](C)OC)c1C ZINC000285831357 394970144 /nfs/dbraw/zinc/97/01/44/394970144.db2.gz VYNLKRLURPIOGK-CYBMUJFWSA-N 1 2 278.396 2.440 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@@H](C)OC)c1C ZINC000285831357 394970146 /nfs/dbraw/zinc/97/01/46/394970146.db2.gz VYNLKRLURPIOGK-CYBMUJFWSA-N 1 2 278.396 2.440 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000339761612 394970580 /nfs/dbraw/zinc/97/05/80/394970580.db2.gz SHETWEPZXXMTEL-GFCCVEGCSA-N 1 2 294.345 2.439 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000339761612 394970583 /nfs/dbraw/zinc/97/05/83/394970583.db2.gz SHETWEPZXXMTEL-GFCCVEGCSA-N 1 2 294.345 2.439 20 30 CEEDLO C#Cc1cccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000372880893 395048334 /nfs/dbraw/zinc/04/83/34/395048334.db2.gz MBVDIVBVYYGIQC-AWEZNQCLSA-N 1 2 294.358 2.423 20 30 CEEDLO C#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C(C)(C)C ZINC000288192520 395054898 /nfs/dbraw/zinc/05/48/98/395054898.db2.gz LUIZQCHBSGQSJO-LBPRGKRZSA-N 1 2 255.321 2.112 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000373848547 395067044 /nfs/dbraw/zinc/06/70/44/395067044.db2.gz CUKBSZXBOYFCAX-GOSISDBHSA-N 1 2 295.386 2.371 20 30 CEEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374023303 395070016 /nfs/dbraw/zinc/07/00/16/395070016.db2.gz AINRPWAVJQXGAY-LVQVYYBASA-N 1 2 291.395 2.088 20 30 CEEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374023303 395070018 /nfs/dbraw/zinc/07/00/18/395070018.db2.gz AINRPWAVJQXGAY-LVQVYYBASA-N 1 2 291.395 2.088 20 30 CEEDLO CC#CCCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000289275703 395073473 /nfs/dbraw/zinc/07/34/73/395073473.db2.gz SJPZXOZYSRXCOG-UONOGXRCSA-N 1 2 289.379 2.341 20 30 CEEDLO CC#CCCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000289275703 395073476 /nfs/dbraw/zinc/07/34/76/395073476.db2.gz SJPZXOZYSRXCOG-UONOGXRCSA-N 1 2 289.379 2.341 20 30 CEEDLO Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)cc[nH+]1 ZINC000374498910 395083029 /nfs/dbraw/zinc/08/30/29/395083029.db2.gz ZMURNFRHFAOPOS-UHFFFAOYSA-N 1 2 279.347 2.242 20 30 CEEDLO CCc1cc(N)nc(SCc2nc(C#N)cs2)[nH+]1 ZINC000416907901 395089738 /nfs/dbraw/zinc/08/97/38/395089738.db2.gz NKMGICJXGKPPFJ-UHFFFAOYSA-N 1 2 277.378 2.072 20 30 CEEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439274230 395254804 /nfs/dbraw/zinc/25/48/04/395254804.db2.gz OOPOGOWIIZOGQU-BXUZGUMPSA-N 1 2 294.782 2.447 20 30 CEEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439274230 395254807 /nfs/dbraw/zinc/25/48/07/395254807.db2.gz OOPOGOWIIZOGQU-BXUZGUMPSA-N 1 2 294.782 2.447 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000293149032 395221123 /nfs/dbraw/zinc/22/11/23/395221123.db2.gz NZMRDORCYIJHMD-CYBMUJFWSA-N 1 2 274.364 2.367 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000293149032 395221127 /nfs/dbraw/zinc/22/11/27/395221127.db2.gz NZMRDORCYIJHMD-CYBMUJFWSA-N 1 2 274.364 2.367 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000186316436 395288685 /nfs/dbraw/zinc/28/86/85/395288685.db2.gz SIRAKYPSZRLMSZ-OAHLLOKOSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000186316436 395288692 /nfs/dbraw/zinc/28/86/92/395288692.db2.gz SIRAKYPSZRLMSZ-OAHLLOKOSA-N 1 2 281.363 2.332 20 30 CEEDLO C/C(Cl)=C/C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000528347969 395289272 /nfs/dbraw/zinc/28/92/72/395289272.db2.gz BILPKZNECYXPBB-BASWHVEKSA-N 1 2 276.771 2.218 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411208099 395321593 /nfs/dbraw/zinc/32/15/93/395321593.db2.gz KORYAZLBVIHIBK-IUODEOHRSA-N 1 2 289.354 2.413 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411208099 395321597 /nfs/dbraw/zinc/32/15/97/395321597.db2.gz KORYAZLBVIHIBK-IUODEOHRSA-N 1 2 289.354 2.413 20 30 CEEDLO C=CCC(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000293870178 395254863 /nfs/dbraw/zinc/25/48/63/395254863.db2.gz ZPMOQYYEHKGORO-CYBMUJFWSA-N 1 2 271.368 2.481 20 30 CEEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352466859 395257130 /nfs/dbraw/zinc/25/71/30/395257130.db2.gz GZCCPCDHEQDGJJ-NWDGAFQWSA-N 1 2 269.364 2.007 20 30 CEEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484586 395260101 /nfs/dbraw/zinc/26/01/01/395260101.db2.gz RDSLHUAESHTROA-MJBXVCDLSA-N 1 2 295.402 2.207 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000192223532 395377166 /nfs/dbraw/zinc/37/71/66/395377166.db2.gz YVUAATHGGGFQCA-LBPRGKRZSA-N 1 2 267.332 2.127 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000192223532 395377171 /nfs/dbraw/zinc/37/71/71/395377171.db2.gz YVUAATHGGGFQCA-LBPRGKRZSA-N 1 2 267.332 2.127 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411869295 395341335 /nfs/dbraw/zinc/34/13/35/395341335.db2.gz DUMFCSZXTRJOSR-ZBFHGGJFSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411869295 395341337 /nfs/dbraw/zinc/34/13/37/395341337.db2.gz DUMFCSZXTRJOSR-ZBFHGGJFSA-N 1 2 294.439 2.300 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1occc1C ZINC000412026846 395345226 /nfs/dbraw/zinc/34/52/26/395345226.db2.gz NMPNGIQCPDYJNA-CYBMUJFWSA-N 1 2 291.395 2.418 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1occc1C ZINC000412026846 395345228 /nfs/dbraw/zinc/34/52/28/395345228.db2.gz NMPNGIQCPDYJNA-CYBMUJFWSA-N 1 2 291.395 2.418 20 30 CEEDLO COC(=O)c1cccc(C[NH+]2CCC(C#N)CC2)c1C#N ZINC000534434349 395463013 /nfs/dbraw/zinc/46/30/13/395463013.db2.gz PJJXVVRJJLQFGA-UHFFFAOYSA-N 1 2 283.331 2.080 20 30 CEEDLO CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)C[C@@H](C)C#N ZINC000193502752 395409799 /nfs/dbraw/zinc/40/97/99/395409799.db2.gz BYWJMSWAWVVEPH-NSHDSACASA-N 1 2 271.368 2.258 20 30 CEEDLO CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)C[C@@H](C)C#N ZINC000193502752 395409801 /nfs/dbraw/zinc/40/98/01/395409801.db2.gz BYWJMSWAWVVEPH-NSHDSACASA-N 1 2 271.368 2.258 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc2ccc(F)cc12 ZINC000567995841 395543890 /nfs/dbraw/zinc/54/38/90/395543890.db2.gz WUKMGVXSTNGCRO-HNNXBMFYSA-N 1 2 289.310 2.146 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCCN(C)C1=O ZINC000568365113 395555993 /nfs/dbraw/zinc/55/59/93/395555993.db2.gz MATLKFIGQMAMTC-HNNXBMFYSA-N 1 2 276.355 2.435 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCCN(C)C1=O ZINC000568365113 395555995 /nfs/dbraw/zinc/55/59/95/395555995.db2.gz MATLKFIGQMAMTC-HNNXBMFYSA-N 1 2 276.355 2.435 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1cccn1C)C(=O)OCC ZINC000449654859 395558818 /nfs/dbraw/zinc/55/88/18/395558818.db2.gz FRCUTPKZQLKWQR-CYBMUJFWSA-N 1 2 250.342 2.013 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000568590629 395563574 /nfs/dbraw/zinc/56/35/74/395563574.db2.gz AFCKXJXGPVKQLO-OLZOCXBDSA-N 1 2 271.320 2.172 20 30 CEEDLO CCCC[C@@H]([NH2+][C@@H](CC)CC#N)C(=O)Nc1cc(C)on1 ZINC000570407986 395582044 /nfs/dbraw/zinc/58/20/44/395582044.db2.gz RUWCQIHVWKXHIR-QWHCGFSZSA-N 1 2 292.383 2.184 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1F ZINC000572166168 395585773 /nfs/dbraw/zinc/58/57/73/395585773.db2.gz FBRRFSPPQWJZJY-UHFFFAOYSA-N 1 2 283.343 2.477 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1cc(OC)c(OC)cc1F ZINC000572166168 395585775 /nfs/dbraw/zinc/58/57/75/395585775.db2.gz FBRRFSPPQWJZJY-UHFFFAOYSA-N 1 2 283.343 2.477 20 30 CEEDLO C=CCCCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000572659844 395587085 /nfs/dbraw/zinc/58/70/85/395587085.db2.gz RAFFCMKRRHKUNC-GFCCVEGCSA-N 1 2 276.384 2.313 20 30 CEEDLO C=CCCCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000572659844 395587087 /nfs/dbraw/zinc/58/70/87/395587087.db2.gz RAFFCMKRRHKUNC-GFCCVEGCSA-N 1 2 276.384 2.313 20 30 CEEDLO C=CCC1(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000451510928 395622025 /nfs/dbraw/zinc/62/20/25/395622025.db2.gz ZZBBIPLQRUMCHI-HNNXBMFYSA-N 1 2 294.439 2.302 20 30 CEEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]CC(C)(F)F ZINC000573913291 395622336 /nfs/dbraw/zinc/62/23/36/395622336.db2.gz CGQIUBRPZZRGJF-CYBMUJFWSA-N 1 2 285.334 2.400 20 30 CEEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000574045954 395625495 /nfs/dbraw/zinc/62/54/95/395625495.db2.gz YDMQVNHAUAEPKI-BBRMVZONSA-N 1 2 273.380 2.140 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000456007520 395632521 /nfs/dbraw/zinc/63/25/21/395632521.db2.gz RJAIGTVZSOSJJP-LBPRGKRZSA-N 1 2 283.335 2.273 20 30 CEEDLO CC1(CO)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459617782 395666352 /nfs/dbraw/zinc/66/63/52/395666352.db2.gz CQKJFQQIPCKLRJ-UHFFFAOYSA-N 1 2 284.281 2.391 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649827291 396269185 /nfs/dbraw/zinc/26/91/85/396269185.db2.gz LIQVJAQTVCPZKB-CQSZACIVSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649827291 396269188 /nfs/dbraw/zinc/26/91/88/396269188.db2.gz LIQVJAQTVCPZKB-CQSZACIVSA-N 1 2 280.412 2.054 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000360013057 155190576 /nfs/dbraw/zinc/19/05/76/155190576.db2.gz DZYDLCJQMYUVTB-CYBMUJFWSA-N 1 2 262.309 2.069 20 30 CEEDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000360013057 155190577 /nfs/dbraw/zinc/19/05/77/155190577.db2.gz DZYDLCJQMYUVTB-CYBMUJFWSA-N 1 2 262.309 2.069 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000651074961 401259967 /nfs/dbraw/zinc/25/99/67/401259967.db2.gz MTBAJJWYQHJSHL-CVEARBPZSA-N 1 2 297.358 2.005 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285230154 286191967 /nfs/dbraw/zinc/19/19/67/286191967.db2.gz BCVBDSJNUKVUPW-OAHLLOKOSA-N 1 2 299.378 2.182 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1cccc(F)c1C#N ZINC000188853086 153070531 /nfs/dbraw/zinc/07/05/31/153070531.db2.gz SIDACESWYFYZDV-UHFFFAOYSA-N 1 2 271.251 2.353 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C1CCCC1 ZINC000191405976 153171697 /nfs/dbraw/zinc/17/16/97/153171697.db2.gz FNXLNRLJPXVMIS-UHFFFAOYSA-N 1 2 289.379 2.204 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CCCC1 ZINC000191405976 153171700 /nfs/dbraw/zinc/17/17/00/153171700.db2.gz FNXLNRLJPXVMIS-UHFFFAOYSA-N 1 2 289.379 2.204 20 30 CEEDLO Cc1ccc([C@@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)o1 ZINC000191431724 153173567 /nfs/dbraw/zinc/17/35/67/153173567.db2.gz FOHPIFZZJAQGDB-INIZCTEOSA-N 1 2 285.347 2.372 20 30 CEEDLO Cc1ccc([C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)o1 ZINC000191431724 153173571 /nfs/dbraw/zinc/17/35/71/153173571.db2.gz FOHPIFZZJAQGDB-INIZCTEOSA-N 1 2 285.347 2.372 20 30 CEEDLO CCC1(CC)C[N@H+](Cc2cc(C#N)n(C)c2)CC[S@]1=O ZINC000191502851 153177498 /nfs/dbraw/zinc/17/74/98/153177498.db2.gz NKNISFFDVZRJHX-HXUWFJFHSA-N 1 2 293.436 2.020 20 30 CEEDLO CCC1(CC)C[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@]1=O ZINC000191502851 153177503 /nfs/dbraw/zinc/17/75/03/153177503.db2.gz NKNISFFDVZRJHX-HXUWFJFHSA-N 1 2 293.436 2.020 20 30 CEEDLO CC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(C)nn(C)c1C ZINC000359730228 155122807 /nfs/dbraw/zinc/12/28/07/155122807.db2.gz LNIYTDAQIWAFMH-HNNXBMFYSA-N 1 2 285.395 2.488 20 30 CEEDLO Cc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1C#N ZINC000367260910 156159354 /nfs/dbraw/zinc/15/93/54/156159354.db2.gz TYPHWRSNCFWPMN-INIZCTEOSA-N 1 2 294.358 2.368 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(C#N)ccc1C)CC2 ZINC000367771808 156236704 /nfs/dbraw/zinc/23/67/04/156236704.db2.gz WVSBLLXAPZFUBN-UHFFFAOYSA-N 1 2 295.346 2.419 20 30 CEEDLO Cc1ccnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000376043754 157177848 /nfs/dbraw/zinc/17/78/48/157177848.db2.gz JDVURSFHSLFHPU-CQSZACIVSA-N 1 2 280.331 2.314 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178837026 165260815 /nfs/dbraw/zinc/26/08/15/165260815.db2.gz GGWXIXYGFXILEB-LBPRGKRZSA-N 1 2 280.331 2.264 20 30 CEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 ZINC000035141586 172009215 /nfs/dbraw/zinc/00/92/15/172009215.db2.gz DWABIYSVVNCYLZ-UHFFFAOYSA-N 1 2 280.331 2.024 20 30 CEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 ZINC000035141586 172009217 /nfs/dbraw/zinc/00/92/17/172009217.db2.gz DWABIYSVVNCYLZ-UHFFFAOYSA-N 1 2 280.331 2.024 20 30 CEEDLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC#N ZINC000035162037 172022243 /nfs/dbraw/zinc/02/22/43/172022243.db2.gz XIQORJWPIPCIAL-UHFFFAOYSA-N 1 2 254.337 2.492 20 30 CEEDLO CC(C)(CNc1cccc(F)c1C#N)[NH+]1CCOCC1 ZINC000198223435 414839919 /nfs/dbraw/zinc/83/99/19/414839919.db2.gz LTUQKXGVHIDDBH-UHFFFAOYSA-N 1 2 277.343 2.220 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCc3ccccc3C2)nn1 ZINC000653479392 415009254 /nfs/dbraw/zinc/00/92/54/415009254.db2.gz RCUMAVPTIRVKOV-UHFFFAOYSA-N 1 2 268.364 2.413 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCc3ccccc3C2)nn1 ZINC000653479392 415009263 /nfs/dbraw/zinc/00/92/63/415009263.db2.gz RCUMAVPTIRVKOV-UHFFFAOYSA-N 1 2 268.364 2.413 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)nn1 ZINC000653678674 415072710 /nfs/dbraw/zinc/07/27/10/415072710.db2.gz WHEUWVWROSLRRM-LSDHHAIUSA-N 1 2 290.411 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)nn1 ZINC000653678674 415072714 /nfs/dbraw/zinc/07/27/14/415072714.db2.gz WHEUWVWROSLRRM-LSDHHAIUSA-N 1 2 290.411 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)nn1 ZINC000653560241 415035292 /nfs/dbraw/zinc/03/52/92/415035292.db2.gz KXHBGSACKGUIGR-TXEJJXNPSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)nn1 ZINC000653560241 415035293 /nfs/dbraw/zinc/03/52/93/415035293.db2.gz KXHBGSACKGUIGR-TXEJJXNPSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)COC ZINC000661244640 415155102 /nfs/dbraw/zinc/15/51/02/415155102.db2.gz XCAIDYIPCKZIPU-LBPRGKRZSA-N 1 2 287.363 2.358 20 30 CEEDLO C=CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)COC ZINC000661244640 415155106 /nfs/dbraw/zinc/15/51/06/415155106.db2.gz XCAIDYIPCKZIPU-LBPRGKRZSA-N 1 2 287.363 2.358 20 30 CEEDLO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000661114444 415102590 /nfs/dbraw/zinc/10/25/90/415102590.db2.gz HRIJXSTXVLXASN-GXTWGEPZSA-N 1 2 286.379 2.247 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204050 415132889 /nfs/dbraw/zinc/13/28/89/415132889.db2.gz BDDXBYHKJPYDJX-RWMBFGLXSA-N 1 2 286.379 2.160 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204050 415132893 /nfs/dbraw/zinc/13/28/93/415132893.db2.gz BDDXBYHKJPYDJX-RWMBFGLXSA-N 1 2 286.379 2.160 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000661234556 415146040 /nfs/dbraw/zinc/14/60/40/415146040.db2.gz NVAINGIJQSSBLE-LLVKDONJSA-N 1 2 264.373 2.383 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000664143897 415191093 /nfs/dbraw/zinc/19/10/93/415191093.db2.gz CJMUZQNUTUVXNX-PWSUYJOCSA-N 1 2 286.383 2.492 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(CCOC)n2)C1 ZINC000661387255 415234240 /nfs/dbraw/zinc/23/42/40/415234240.db2.gz XNKWSVLBPKYDGA-GFCCVEGCSA-N 1 2 265.357 2.047 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(CCOC)n2)C1 ZINC000661387255 415234249 /nfs/dbraw/zinc/23/42/49/415234249.db2.gz XNKWSVLBPKYDGA-GFCCVEGCSA-N 1 2 265.357 2.047 20 30 CEEDLO C=CCN(C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)[C@@H](C)COC ZINC000665046888 415562857 /nfs/dbraw/zinc/56/28/57/415562857.db2.gz GJRANICUDZWUDK-RWMBFGLXSA-N 1 2 292.383 2.121 20 30 CEEDLO C=CCN(C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[C@@H](C)COC ZINC000665046881 415563091 /nfs/dbraw/zinc/56/30/91/415563091.db2.gz GJRANICUDZWUDK-FRRDWIJNSA-N 1 2 292.383 2.121 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000656544458 415755520 /nfs/dbraw/zinc/75/55/20/415755520.db2.gz OYGBBSVOULRMRT-CQSZACIVSA-N 1 2 276.384 2.271 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000072906754 176440078 /nfs/dbraw/zinc/44/00/78/176440078.db2.gz 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/nfs/dbraw/zinc/35/74/53/262357453.db2.gz VQTKWBFASDHCRO-UHFFFAOYSA-N 1 2 276.384 2.452 20 30 CEEDLO C=CC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000111824369 262376893 /nfs/dbraw/zinc/37/68/93/262376893.db2.gz ZUDUGHWLHATFTP-UHFFFAOYSA-N 1 2 288.395 2.491 20 30 CEEDLO N#C[C@H]1C[N@H+](C[C@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000336711894 262383229 /nfs/dbraw/zinc/38/32/29/262383229.db2.gz LNUWFXHJUVYRJZ-MSOLQXFVSA-N 1 2 299.418 2.123 20 30 CEEDLO N#C[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000336711894 262383230 /nfs/dbraw/zinc/38/32/30/262383230.db2.gz LNUWFXHJUVYRJZ-MSOLQXFVSA-N 1 2 299.418 2.123 20 30 CEEDLO CN(C)C(=O)[C@@H]1CCC[C@@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265140120 262902283 /nfs/dbraw/zinc/90/22/83/262902283.db2.gz NFHRAHLLNLJOFP-MXNRISGCSA-N 1 2 290.363 2.164 20 30 CEEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCC#N ZINC000273494897 263017407 /nfs/dbraw/zinc/01/74/07/263017407.db2.gz TZMXAYDXCXQJPC-UHFFFAOYSA-N 1 2 286.784 2.137 20 30 CEEDLO COCCSCCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000278281467 263046356 /nfs/dbraw/zinc/04/63/56/263046356.db2.gz QEIVIVKUZVWIOY-UHFFFAOYSA-N 1 2 298.408 2.102 20 30 CEEDLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000279046789 263052664 /nfs/dbraw/zinc/05/26/64/263052664.db2.gz GTKYPHKXUHDMEQ-NSHDSACASA-N 1 2 260.341 2.177 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000281855906 263072263 /nfs/dbraw/zinc/07/22/63/263072263.db2.gz QJRWULKGJMHRAO-MWUZKQKDSA-N 1 2 261.321 2.498 20 30 CEEDLO COc1cccc(/C=[NH+]/C[C@H]2CCOC[C@@H]2C)c1O ZINC000285382676 263092585 /nfs/dbraw/zinc/09/25/85/263092585.db2.gz OUAQNHKMBOTMCP-JOUPJPQCSA-N 1 2 263.337 2.492 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+](C)C[C@@H](C)C#N)[nH]c1C ZINC000294671074 263165576 /nfs/dbraw/zinc/16/55/76/263165576.db2.gz CRHBYQWRXIBRDJ-JTQLQIEISA-N 1 2 263.341 2.091 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+](C)C[C@@H](C)C#N)[nH]c1C ZINC000294671074 263165577 /nfs/dbraw/zinc/16/55/77/263165577.db2.gz CRHBYQWRXIBRDJ-JTQLQIEISA-N 1 2 263.341 2.091 20 30 CEEDLO C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)Cn1cc[nH+]c1 ZINC000295023729 263171044 /nfs/dbraw/zinc/17/10/44/263171044.db2.gz QXIIQUMVICFQQF-XJKSGUPXSA-N 1 2 286.379 2.109 20 30 CEEDLO C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)Cn1cc[nH+]c1 ZINC000295023724 263171103 /nfs/dbraw/zinc/17/11/03/263171103.db2.gz QXIIQUMVICFQQF-BBRMVZONSA-N 1 2 286.379 2.109 20 30 CEEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000299165906 263232651 /nfs/dbraw/zinc/23/26/51/263232651.db2.gz ONUNNZXBWKWGAB-DOMZBBRYSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000299165906 263232653 /nfs/dbraw/zinc/23/26/53/263232653.db2.gz ONUNNZXBWKWGAB-DOMZBBRYSA-N 1 2 276.380 2.135 20 30 CEEDLO C=C1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000342018799 263379379 /nfs/dbraw/zinc/37/93/79/263379379.db2.gz YPZRHJNAHUOOJN-UHFFFAOYSA-N 1 2 284.403 2.486 20 30 CEEDLO C=CCCN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000342485268 263441425 /nfs/dbraw/zinc/44/14/25/263441425.db2.gz GSQIPVOSTCFVPD-UHFFFAOYSA-N 1 2 288.391 2.167 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1 ZINC000330821834 264047868 /nfs/dbraw/zinc/04/78/68/264047868.db2.gz HJRNYHKGEQEGCO-SGMGOOAPSA-N 1 2 257.337 2.295 20 30 CEEDLO Cc1cccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000330851010 264068055 /nfs/dbraw/zinc/06/80/55/264068055.db2.gz QGYVEHRXMFVPQM-OCCSQVGLSA-N 1 2 257.337 2.215 20 30 CEEDLO O=C(NCCC(F)(F)F)NCc1cn2c([nH+]1)CCCC2 ZINC000330936103 264081139 /nfs/dbraw/zinc/08/11/39/264081139.db2.gz QOBYNGXKVQPDLB-UHFFFAOYSA-N 1 2 290.289 2.175 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528789278 269974332 /nfs/dbraw/zinc/97/43/32/269974332.db2.gz PYFOFVMUDAUQFA-HNNXBMFYSA-N 1 2 280.331 2.391 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528789278 269974333 /nfs/dbraw/zinc/97/43/33/269974333.db2.gz PYFOFVMUDAUQFA-HNNXBMFYSA-N 1 2 280.331 2.391 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCCSC1 ZINC000331136848 264135484 /nfs/dbraw/zinc/13/54/84/264135484.db2.gz DATUFMLNJSWANY-LBPRGKRZSA-N 1 2 296.440 2.438 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)Cn2cncn2)c(C)[nH+]1 ZINC000331247396 264179401 /nfs/dbraw/zinc/17/94/01/264179401.db2.gz VVUPUZNIGARYCR-NSHDSACASA-N 1 2 288.355 2.013 20 30 CEEDLO C=CCC(C)(C)CNC(=O)NCc1c[nH+]ccc1OC ZINC000294223934 265003822 /nfs/dbraw/zinc/00/38/22/265003822.db2.gz MKARNVGQKFPHEQ-UHFFFAOYSA-N 1 2 277.368 2.492 20 30 CEEDLO C=CCOc1ccc(CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000294273683 265008842 /nfs/dbraw/zinc/00/88/42/265008842.db2.gz SDNJBTSNFAPUTD-UHFFFAOYSA-N 1 2 299.374 2.197 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000356474842 266121983 /nfs/dbraw/zinc/12/19/83/266121983.db2.gz LIPUWMPGCCAGEI-BYNSBNAKSA-N 1 2 279.428 2.361 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000356474842 266121986 /nfs/dbraw/zinc/12/19/86/266121986.db2.gz LIPUWMPGCCAGEI-BYNSBNAKSA-N 1 2 279.428 2.361 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000356738351 266167154 /nfs/dbraw/zinc/16/71/54/266167154.db2.gz HWMDEJQNPNTKGS-GJZGRUSLSA-N 1 2 292.423 2.054 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C)C#N ZINC000357841278 266375257 /nfs/dbraw/zinc/37/52/57/266375257.db2.gz VPNRMGCRSJDGPC-NSHDSACASA-N 1 2 270.336 2.011 20 30 CEEDLO CCOC(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000496341454 267124943 /nfs/dbraw/zinc/12/49/43/267124943.db2.gz LDZIICMFWUQJSB-UHFFFAOYSA-N 1 2 287.363 2.141 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000495212923 267199943 /nfs/dbraw/zinc/19/99/43/267199943.db2.gz VAFOCWXRKVOTQR-OAHLLOKOSA-N 1 2 271.364 2.001 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000495212923 267199945 /nfs/dbraw/zinc/19/99/45/267199945.db2.gz VAFOCWXRKVOTQR-OAHLLOKOSA-N 1 2 271.364 2.001 20 30 CEEDLO C=C(Cl)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000368913289 267212882 /nfs/dbraw/zinc/21/28/82/267212882.db2.gz KWHRWNNXJCVFTB-LLVKDONJSA-N 1 2 282.775 2.062 20 30 CEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000369271201 267230967 /nfs/dbraw/zinc/23/09/67/267230967.db2.gz PCIAJPPPYHJOPR-NSHDSACASA-N 1 2 285.189 2.041 20 30 CEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000369271201 267230969 /nfs/dbraw/zinc/23/09/69/267230969.db2.gz PCIAJPPPYHJOPR-NSHDSACASA-N 1 2 285.189 2.041 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369430610 267242059 /nfs/dbraw/zinc/24/20/59/267242059.db2.gz BPVUXRSBSCTJIJ-LBPRGKRZSA-N 1 2 285.351 2.031 20 30 CEEDLO CCn1c2ccccc2[nH+]c1CCNc1cncc(C#N)n1 ZINC000420589366 267249757 /nfs/dbraw/zinc/24/97/57/267249757.db2.gz TYCVQCYFEGBONL-UHFFFAOYSA-N 1 2 292.346 2.372 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)Cc1cccc(C#N)c1 ZINC000492254408 267256364 /nfs/dbraw/zinc/25/63/64/267256364.db2.gz WRDYSYROJRNEFX-FPLPWBNLSA-N 1 2 294.358 2.446 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC000369804400 267267959 /nfs/dbraw/zinc/26/79/59/267267959.db2.gz UECQBCMUWXSMOB-JKSUJKDBSA-N 1 2 283.375 2.037 20 30 CEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000369804400 267267961 /nfs/dbraw/zinc/26/79/61/267267961.db2.gz UECQBCMUWXSMOB-JKSUJKDBSA-N 1 2 283.375 2.037 20 30 CEEDLO C=C(CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000370743175 267343992 /nfs/dbraw/zinc/34/39/92/267343992.db2.gz XZWGKZUOMJWQLO-HNNXBMFYSA-N 1 2 281.359 2.275 20 30 CEEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308893 267386737 /nfs/dbraw/zinc/38/67/37/267386737.db2.gz TTXZLWYVVCJZHE-LBPRGKRZSA-N 1 2 297.358 2.262 20 30 CEEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308893 267386741 /nfs/dbraw/zinc/38/67/41/267386741.db2.gz TTXZLWYVVCJZHE-LBPRGKRZSA-N 1 2 297.358 2.262 20 30 CEEDLO C#CC[C@H](C)NC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000371388870 267397477 /nfs/dbraw/zinc/39/74/77/267397477.db2.gz OZQPMCSWDZTURC-ZDUSSCGKSA-N 1 2 296.374 2.298 20 30 CEEDLO COc1cc([C@H](C)Nc2cc(C)[nH+]cc2C#N)ccn1 ZINC000425273682 267595544 /nfs/dbraw/zinc/59/55/44/267595544.db2.gz YIIDUKWLLVMVLP-NSHDSACASA-N 1 2 268.320 2.260 20 30 CEEDLO CC[N@@H+]1CC[C@H](NCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374851936 267817215 /nfs/dbraw/zinc/81/72/15/267817215.db2.gz AMQFKHRVSGDYIC-GXTWGEPZSA-N 1 2 283.297 2.352 20 30 CEEDLO CC[N@H+]1CC[C@H](NCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374851936 267817219 /nfs/dbraw/zinc/81/72/19/267817219.db2.gz AMQFKHRVSGDYIC-GXTWGEPZSA-N 1 2 283.297 2.352 20 30 CEEDLO Cc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)c(C#N)c[nH+]1 ZINC000425221845 271140464 /nfs/dbraw/zinc/14/04/64/271140464.db2.gz KWDGKVYUBUAXCF-AWEZNQCLSA-N 1 2 286.379 2.003 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccc(C#N)o2)C1 ZINC000361168427 277210837 /nfs/dbraw/zinc/21/08/37/277210837.db2.gz KFMPGWZFYDUHCN-INIZCTEOSA-N 1 2 267.332 2.428 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccc(C#N)o2)C1 ZINC000361168427 277210838 /nfs/dbraw/zinc/21/08/38/277210838.db2.gz KFMPGWZFYDUHCN-INIZCTEOSA-N 1 2 267.332 2.428 20 30 CEEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093340121 279042796 /nfs/dbraw/zinc/04/27/96/279042796.db2.gz YYBSMNQUUDOIFR-OAHLLOKOSA-N 1 2 298.390 2.453 20 30 CEEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093340121 279042798 /nfs/dbraw/zinc/04/27/98/279042798.db2.gz YYBSMNQUUDOIFR-OAHLLOKOSA-N 1 2 298.390 2.453 20 30 CEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000428778862 281201314 /nfs/dbraw/zinc/20/13/14/281201314.db2.gz JRWRIKYFDARLMJ-GXTWGEPZSA-N 1 2 298.346 2.464 20 30 CEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000428778862 281201315 /nfs/dbraw/zinc/20/13/15/281201315.db2.gz JRWRIKYFDARLMJ-GXTWGEPZSA-N 1 2 298.346 2.464 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1c(F)cc(C#N)cc1F)CC2 ZINC000374713687 281545490 /nfs/dbraw/zinc/54/54/90/281545490.db2.gz GFAPNZHDOKSFII-UHFFFAOYSA-N 1 2 274.274 2.362 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000329628262 295384621 /nfs/dbraw/zinc/38/46/21/295384621.db2.gz UOKCMBNKTOWGLW-RWMBFGLXSA-N 1 2 288.395 2.303 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000329628262 295384623 /nfs/dbraw/zinc/38/46/23/295384623.db2.gz UOKCMBNKTOWGLW-RWMBFGLXSA-N 1 2 288.395 2.303 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000177681207 312723068 /nfs/dbraw/zinc/72/30/68/312723068.db2.gz VLGLZSXJTMBHKU-UHFFFAOYSA-N 1 2 287.392 2.227 20 30 CEEDLO Cc1cc(NCC[C@H]2COc3ccccc3O2)c(C#N)c[nH+]1 ZINC000567043524 313881407 /nfs/dbraw/zinc/88/14/07/313881407.db2.gz FPIIJMQJUZBIMX-AWEZNQCLSA-N 1 2 295.342 2.326 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](CC)O1 ZINC000573015936 314136615 /nfs/dbraw/zinc/13/66/15/314136615.db2.gz CGIZJZGSQPIVAT-GASCZTMLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](CC)O1 ZINC000573015936 314136618 /nfs/dbraw/zinc/13/66/18/314136618.db2.gz CGIZJZGSQPIVAT-GASCZTMLSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[N@H+](CCCNc1ccnc(C#N)n1)c1ccccc1 ZINC000577509330 314385626 /nfs/dbraw/zinc/38/56/26/314385626.db2.gz DTWXLUDPKWHAKO-UHFFFAOYSA-N 1 2 281.363 2.099 20 30 CEEDLO CC[N@@H+](CCCNc1ccnc(C#N)n1)c1ccccc1 ZINC000577509330 314385629 /nfs/dbraw/zinc/38/56/29/314385629.db2.gz DTWXLUDPKWHAKO-UHFFFAOYSA-N 1 2 281.363 2.099 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1ccccc1 ZINC000563367164 328059914 /nfs/dbraw/zinc/05/99/14/328059914.db2.gz UJWSPCZQEGNRAA-JSGCOSHPSA-N 1 2 259.353 2.146 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nncn1C ZINC000160865548 328090848 /nfs/dbraw/zinc/09/08/48/328090848.db2.gz AWJGWOPWMXBXJS-UHFFFAOYSA-N 1 2 256.353 2.046 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)Cc1nncn1C ZINC000160865548 328090849 /nfs/dbraw/zinc/09/08/49/328090849.db2.gz AWJGWOPWMXBXJS-UHFFFAOYSA-N 1 2 256.353 2.046 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366575409 328115855 /nfs/dbraw/zinc/11/58/55/328115855.db2.gz QJHHQURSLNPERN-RYUDHWBXSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366575409 328115856 /nfs/dbraw/zinc/11/58/56/328115856.db2.gz QJHHQURSLNPERN-RYUDHWBXSA-N 1 2 290.201 2.165 20 30 CEEDLO N#CCCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264221600 328158583 /nfs/dbraw/zinc/15/85/83/328158583.db2.gz PJDFNVADOLWUDL-UHFFFAOYSA-N 1 2 282.347 2.355 20 30 CEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000266231004 328168305 /nfs/dbraw/zinc/16/83/05/328168305.db2.gz UPIINIOMMMAZNY-LLVKDONJSA-N 1 2 295.339 2.445 20 30 CEEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C)cc1C ZINC000267071537 328172218 /nfs/dbraw/zinc/17/22/18/328172218.db2.gz LCMOAIXLDKTEBN-HNNXBMFYSA-N 1 2 276.380 2.279 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C)cc1C ZINC000267071537 328172219 /nfs/dbraw/zinc/17/22/19/328172219.db2.gz LCMOAIXLDKTEBN-HNNXBMFYSA-N 1 2 276.380 2.279 20 30 CEEDLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC000278612348 328228410 /nfs/dbraw/zinc/22/84/10/328228410.db2.gz MQGDAZIAGWSRMP-NXEZZACHSA-N 1 2 254.284 2.402 20 30 CEEDLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC000278612348 328228412 /nfs/dbraw/zinc/22/84/12/328228412.db2.gz MQGDAZIAGWSRMP-NXEZZACHSA-N 1 2 254.284 2.402 20 30 CEEDLO C=C(C)CN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000181218064 329226863 /nfs/dbraw/zinc/22/68/63/329226863.db2.gz RYAVFNUZEWIGJJ-UHFFFAOYSA-N 1 2 264.373 2.257 20 30 CEEDLO COCC1(C/[NH+]=C/c2cc(OC)ccc2O)CCOCC1 ZINC000291832274 328266546 /nfs/dbraw/zinc/26/65/46/328266546.db2.gz GAVXFYUCCXBKBN-LICLKQGHSA-N 1 2 293.363 2.263 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000340520875 328288227 /nfs/dbraw/zinc/28/82/27/328288227.db2.gz ANYZGTBEEUWNGU-CHWSQXEVSA-N 1 2 267.336 2.049 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000340520884 328288312 /nfs/dbraw/zinc/28/83/12/328288312.db2.gz ANYZGTBEEUWNGU-OLZOCXBDSA-N 1 2 267.336 2.049 20 30 CEEDLO Cc1cc(NC(=O)N(CCC#N)CC2CC2)c(C)c[nH+]1 ZINC000535060051 328381788 /nfs/dbraw/zinc/38/17/88/328381788.db2.gz VAEVYDZDPVJUBG-UHFFFAOYSA-N 1 2 272.352 2.278 20 30 CEEDLO CC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@@H](C)C#N ZINC000535074327 328384327 /nfs/dbraw/zinc/38/43/27/328384327.db2.gz KWFNVHPBKGHOOU-LBPRGKRZSA-N 1 2 287.342 2.388 20 30 CEEDLO CC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@@H](C)C#N ZINC000535074327 328384329 /nfs/dbraw/zinc/38/43/29/328384329.db2.gz KWFNVHPBKGHOOU-LBPRGKRZSA-N 1 2 287.342 2.388 20 30 CEEDLO C=CCCOCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290760227 328531594 /nfs/dbraw/zinc/53/15/94/328531594.db2.gz RLEQEOZURQYTGU-UHFFFAOYSA-N 1 2 274.324 2.049 20 30 CEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CC(C)(C)C#N)C1 ZINC000370607130 326845622 /nfs/dbraw/zinc/84/56/22/326845622.db2.gz UIDKBGRFQCBADI-ZDUSSCGKSA-N 1 2 288.395 2.141 20 30 CEEDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000569382120 327170537 /nfs/dbraw/zinc/17/05/37/327170537.db2.gz OKXSLNMJLPHDDE-GFCCVEGCSA-N 1 2 259.353 2.218 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc2ccccc21 ZINC000569412620 327174135 /nfs/dbraw/zinc/17/41/35/327174135.db2.gz ZENQEYZXTJSINM-HNNXBMFYSA-N 1 2 287.388 2.475 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000560318240 327298317 /nfs/dbraw/zinc/29/83/17/327298317.db2.gz FYHAIWUWJMZKGZ-CABCVRRESA-N 1 2 299.374 2.484 20 30 CEEDLO CCn1nc(C)c(C[NH2+]Cc2nc(C#N)cs2)c1C ZINC000562078759 327447060 /nfs/dbraw/zinc/44/70/60/327447060.db2.gz WNDFWYMIRBBWGT-UHFFFAOYSA-N 1 2 275.381 2.138 20 30 CEEDLO C=C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000289722998 327581838 /nfs/dbraw/zinc/58/18/38/327581838.db2.gz FSWZNLKDWVWKFY-VIFPVBQESA-N 1 2 262.136 2.336 20 30 CEEDLO C=CCN(CC=C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378243980 329044090 /nfs/dbraw/zinc/04/40/90/329044090.db2.gz UUCHQMLQDOWJQE-AWEZNQCLSA-N 1 2 288.395 2.453 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@H]1c1[nH+]ccn1C)OCC ZINC000378550603 329054748 /nfs/dbraw/zinc/05/47/48/329054748.db2.gz ZEGPBBIRAVNRIT-UONOGXRCSA-N 1 2 291.395 2.455 20 30 CEEDLO N#CCC[N@@H+](CCC(=O)NC1CCCC1)Cc1ccco1 ZINC000176298558 329174531 /nfs/dbraw/zinc/17/45/31/329174531.db2.gz OAQVPVWLZVUYBR-UHFFFAOYSA-N 1 2 289.379 2.444 20 30 CEEDLO N#CCC[N@H+](CCC(=O)NC1CCCC1)Cc1ccco1 ZINC000176298558 329174532 /nfs/dbraw/zinc/17/45/32/329174532.db2.gz OAQVPVWLZVUYBR-UHFFFAOYSA-N 1 2 289.379 2.444 20 30 CEEDLO C=C(C)CN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000180675764 329221733 /nfs/dbraw/zinc/22/17/33/329221733.db2.gz SQKQFPHYZFLHKK-UHFFFAOYSA-N 1 2 288.395 2.268 20 30 CEEDLO COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000459461202 329256238 /nfs/dbraw/zinc/25/62/38/329256238.db2.gz JAPGPQCMXHKVCJ-RISCZKNCSA-N 1 2 276.311 2.394 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CC(C(C)(C)C)C1 ZINC000514675295 329359008 /nfs/dbraw/zinc/35/90/08/329359008.db2.gz FYJPBTUWLQADDW-QOZQQMKHSA-N 1 2 265.401 2.019 20 30 CEEDLO C=CCn1nnnc1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000187909279 329361354 /nfs/dbraw/zinc/36/13/54/329361354.db2.gz JNGQICZWRXJPHG-UHFFFAOYSA-N 1 2 298.375 2.337 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(C2CC2)no1 ZINC000189423664 329382156 /nfs/dbraw/zinc/38/21/56/329382156.db2.gz JCNSSDQUFLLNTH-SNVBAGLBSA-N 1 2 251.330 2.142 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(C2CC2)no1 ZINC000189423664 329382157 /nfs/dbraw/zinc/38/21/57/329382157.db2.gz JCNSSDQUFLLNTH-SNVBAGLBSA-N 1 2 251.330 2.142 20 30 CEEDLO C=CCc1ccccc1OC[C@@H](O)Cn1cc[nH+]c1 ZINC000040142134 329555259 /nfs/dbraw/zinc/55/52/59/329555259.db2.gz KZCZRLNAUCDUED-AWEZNQCLSA-N 1 2 258.321 2.052 20 30 CEEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000133135445 329651192 /nfs/dbraw/zinc/65/11/92/329651192.db2.gz IBMBLCKNVKLACI-UKRRQHHQSA-N 1 2 286.379 2.034 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)CC#N ZINC000134191389 329657809 /nfs/dbraw/zinc/65/78/09/329657809.db2.gz UJLDNTMGXMHQJK-LLVKDONJSA-N 1 2 270.336 2.153 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncnn1CC ZINC000278926234 330121366 /nfs/dbraw/zinc/12/13/66/330121366.db2.gz VPSNWLCYQYFPBQ-UHFFFAOYSA-N 1 2 260.341 2.122 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1ncnn1CC ZINC000278926234 330121368 /nfs/dbraw/zinc/12/13/68/330121368.db2.gz VPSNWLCYQYFPBQ-UHFFFAOYSA-N 1 2 260.341 2.122 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000424146891 330293894 /nfs/dbraw/zinc/29/38/94/330293894.db2.gz XNMJTYIDBALHQN-CWRNSKLLSA-N 1 2 289.375 2.390 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccccc2OCC)nn1 ZINC000424171954 330311856 /nfs/dbraw/zinc/31/18/56/330311856.db2.gz MWFFPAQDWOVLMR-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)nn1 ZINC000424301450 330337934 /nfs/dbraw/zinc/33/79/34/330337934.db2.gz ZXVBEICQCWHYBO-NSHDSACASA-N 1 2 290.342 2.463 20 30 CEEDLO Cc1ccc(C[C@H](C#N)SCC[NH+]2CCOCC2)cc1 ZINC000514937917 330468295 /nfs/dbraw/zinc/46/82/95/330468295.db2.gz UCBWVNXCKGXMPI-MRXNPFEDSA-N 1 2 290.432 2.495 20 30 CEEDLO C=CC[C@@H]1N(C(=O)[C@H](C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444630749 330815659 /nfs/dbraw/zinc/81/56/59/330815659.db2.gz IITZUJAJFSUZGN-GJZGRUSLSA-N 1 2 294.439 2.300 20 30 CEEDLO C=CCC[C@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000454686525 331151333 /nfs/dbraw/zinc/15/13/33/331151333.db2.gz SARACVFLSNKWFV-CYBMUJFWSA-N 1 2 288.351 2.091 20 30 CEEDLO C=CC(C)(C)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000455364011 331167255 /nfs/dbraw/zinc/16/72/55/331167255.db2.gz IMUFHAYAKQPMSJ-LBPRGKRZSA-N 1 2 276.384 2.131 20 30 CEEDLO C=CCC[C@@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455493456 331170969 /nfs/dbraw/zinc/17/09/69/331170969.db2.gz CPWLXSFIOXLWBJ-ZDUSSCGKSA-N 1 2 277.368 2.455 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000459003749 331265830 /nfs/dbraw/zinc/26/58/30/331265830.db2.gz PACKJWQLVYNTJK-LBPRGKRZSA-N 1 2 262.357 2.265 20 30 CEEDLO C[C@@H](C#N)C[N@H+](CCn1cc(Cl)cn1)C1CC1 ZINC000459370847 331278678 /nfs/dbraw/zinc/27/86/78/331278678.db2.gz HSWMYSMVLMGRLK-JTQLQIEISA-N 1 2 252.749 2.161 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](CCn1cc(Cl)cn1)C1CC1 ZINC000459370847 331278679 /nfs/dbraw/zinc/27/86/79/331278679.db2.gz HSWMYSMVLMGRLK-JTQLQIEISA-N 1 2 252.749 2.161 20 30 CEEDLO CCc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000459457198 331282368 /nfs/dbraw/zinc/28/23/68/331282368.db2.gz CVHMCEFZVHFOPM-UKRRQHHQSA-N 1 2 271.364 2.469 20 30 CEEDLO COc1c(C)cnc(C[NH2+][C@H]2CCC[C@H]2C#N)c1C ZINC000459472441 331283454 /nfs/dbraw/zinc/28/34/54/331283454.db2.gz WXLNKGBLUIYJGC-STQMWFEESA-N 1 2 259.353 2.489 20 30 CEEDLO COc1c(C)c[nH+]c(CN[C@H]2CCC[C@H]2C#N)c1C ZINC000459472441 331283455 /nfs/dbraw/zinc/28/34/55/331283455.db2.gz WXLNKGBLUIYJGC-STQMWFEESA-N 1 2 259.353 2.489 20 30 CEEDLO COC(=O)c1cccc2c1CC[N@H+](CC1(C#N)CC1)C2 ZINC000459539701 331286717 /nfs/dbraw/zinc/28/67/17/331286717.db2.gz CLRWAIRQINMZTI-UHFFFAOYSA-N 1 2 270.332 2.135 20 30 CEEDLO COC(=O)c1cccc2c1CC[N@@H+](CC1(C#N)CC1)C2 ZINC000459539701 331286718 /nfs/dbraw/zinc/28/67/18/331286718.db2.gz CLRWAIRQINMZTI-UHFFFAOYSA-N 1 2 270.332 2.135 20 30 CEEDLO COC1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459577815 331289048 /nfs/dbraw/zinc/28/90/48/331289048.db2.gz HULWHOAWLJHEPA-UHFFFAOYSA-N 1 2 296.374 2.294 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000491405792 332205954 /nfs/dbraw/zinc/20/59/54/332205954.db2.gz KOQXUPRTPUSHEL-LLVKDONJSA-N 1 2 280.393 2.091 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000491405792 332205955 /nfs/dbraw/zinc/20/59/55/332205955.db2.gz KOQXUPRTPUSHEL-LLVKDONJSA-N 1 2 280.393 2.091 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000491486925 332221209 /nfs/dbraw/zinc/22/12/09/332221209.db2.gz ZGAXRAHBYOBHOI-GFCCVEGCSA-N 1 2 256.349 2.067 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000491486925 332221210 /nfs/dbraw/zinc/22/12/10/332221210.db2.gz ZGAXRAHBYOBHOI-GFCCVEGCSA-N 1 2 256.349 2.067 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1nc2ccccc2nc1C ZINC000491544074 332233985 /nfs/dbraw/zinc/23/39/85/332233985.db2.gz KBYOYONKJIXRRO-UHFFFAOYSA-N 1 2 263.344 2.397 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1nc2ccccc2nc1C ZINC000491544074 332233987 /nfs/dbraw/zinc/23/39/87/332233987.db2.gz KBYOYONKJIXRRO-UHFFFAOYSA-N 1 2 263.344 2.397 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccsc2)n1 ZINC000491546713 332235413 /nfs/dbraw/zinc/23/54/13/332235413.db2.gz WYDYBLHZKSGVJD-UHFFFAOYSA-N 1 2 289.404 2.226 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccsc2)n1 ZINC000491546713 332235414 /nfs/dbraw/zinc/23/54/14/332235414.db2.gz WYDYBLHZKSGVJD-UHFFFAOYSA-N 1 2 289.404 2.226 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1c(C)cnn1C)c1ccc(F)cc1 ZINC000491546734 332235554 /nfs/dbraw/zinc/23/55/54/332235554.db2.gz XCIWEVHVQOILGE-CQSZACIVSA-N 1 2 257.312 2.332 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000491655695 332267787 /nfs/dbraw/zinc/26/77/87/332267787.db2.gz HBVGNZVAKPHEQY-HOCLYGCPSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000491655695 332267788 /nfs/dbraw/zinc/26/77/88/332267788.db2.gz HBVGNZVAKPHEQY-HOCLYGCPSA-N 1 2 270.376 2.222 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3[nH]cnc3c2)n1 ZINC000491660220 332270598 /nfs/dbraw/zinc/27/05/98/332270598.db2.gz OBUIWUASCRQEHZ-UHFFFAOYSA-N 1 2 293.374 2.415 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc3[nH]cnc3c2)n1 ZINC000491660220 332270600 /nfs/dbraw/zinc/27/06/00/332270600.db2.gz OBUIWUASCRQEHZ-UHFFFAOYSA-N 1 2 293.374 2.415 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3nc[nH]c3c2)n1 ZINC000491660220 332270601 /nfs/dbraw/zinc/27/06/01/332270601.db2.gz OBUIWUASCRQEHZ-UHFFFAOYSA-N 1 2 293.374 2.415 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc3nc[nH]c3c2)n1 ZINC000491660220 332270603 /nfs/dbraw/zinc/27/06/03/332270603.db2.gz OBUIWUASCRQEHZ-UHFFFAOYSA-N 1 2 293.374 2.415 20 30 CEEDLO C#C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC000491674540 332280329 /nfs/dbraw/zinc/28/03/29/332280329.db2.gz KLXWBUDLBYYTPQ-ZDUSSCGKSA-N 1 2 287.750 2.405 20 30 CEEDLO C#C[C@H](NC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1 ZINC000491674540 332280330 /nfs/dbraw/zinc/28/03/30/332280330.db2.gz KLXWBUDLBYYTPQ-ZDUSSCGKSA-N 1 2 287.750 2.405 20 30 CEEDLO C#CC[N@@H+](CN1CC[C@@H](C)C1=O)[C@@H]1CCc2ccccc21 ZINC000491694019 332290091 /nfs/dbraw/zinc/29/00/91/332290091.db2.gz LPSRFWAFFQJVGA-RHSMWYFYSA-N 1 2 282.387 2.435 20 30 CEEDLO C#CC[N@H+](CN1CC[C@@H](C)C1=O)[C@@H]1CCc2ccccc21 ZINC000491694019 332290093 /nfs/dbraw/zinc/29/00/93/332290093.db2.gz LPSRFWAFFQJVGA-RHSMWYFYSA-N 1 2 282.387 2.435 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC000491734648 332315268 /nfs/dbraw/zinc/31/52/68/332315268.db2.gz SIJNPAOBVKESLY-LLVKDONJSA-N 1 2 263.337 2.166 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC000491734648 332315270 /nfs/dbraw/zinc/31/52/70/332315270.db2.gz SIJNPAOBVKESLY-LLVKDONJSA-N 1 2 263.337 2.166 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491770302 332337217 /nfs/dbraw/zinc/33/72/17/332337217.db2.gz MAWUTIBKGCTVSQ-DZGCQCFKSA-N 1 2 281.359 2.412 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C)cn2)n1 ZINC000491821271 332370606 /nfs/dbraw/zinc/37/06/06/332370606.db2.gz UWWTVHAIHAQQOS-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C)cn2)n1 ZINC000491821271 332370608 /nfs/dbraw/zinc/37/06/08/332370608.db2.gz UWWTVHAIHAQQOS-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCOc1ccc(F)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493417079 332439294 /nfs/dbraw/zinc/43/92/94/332439294.db2.gz IMFLIEKOCDBWDI-XQRVVYSFSA-N 1 2 285.278 2.213 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187312734 333169577 /nfs/dbraw/zinc/16/95/77/333169577.db2.gz RTTFAUBHODKLPV-UHFFFAOYSA-N 1 2 281.334 2.139 20 30 CEEDLO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C#N)CCC#N)CO2 ZINC000521949822 333225679 /nfs/dbraw/zinc/22/56/79/333225679.db2.gz TXNSKYPSSXWLDU-GXTWGEPZSA-N 1 2 255.321 2.462 20 30 CEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195309777 333249837 /nfs/dbraw/zinc/24/98/37/333249837.db2.gz SPFPPLDTLUAERL-UKRRQHHQSA-N 1 2 277.412 2.259 20 30 CEEDLO C=C(C)CN(CC)C(=O)NCCCNc1cccc[nH+]1 ZINC000194069084 333264813 /nfs/dbraw/zinc/26/48/13/333264813.db2.gz IVZGQRQLKNPXLG-UHFFFAOYSA-N 1 2 276.384 2.491 20 30 CEEDLO Cc1[nH]nc2ncc(CNc3cc(CC#N)cc[nH+]3)cc12 ZINC000546633238 334042290 /nfs/dbraw/zinc/04/22/90/334042290.db2.gz GDTZGOCFDGLFHR-UHFFFAOYSA-N 1 2 278.319 2.340 20 30 CEEDLO Cc1ccnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000548865585 334177458 /nfs/dbraw/zinc/17/74/58/334177458.db2.gz QEBKCOJAEFSWSK-UHFFFAOYSA-N 1 2 293.374 2.237 20 30 CEEDLO N#CCC[N@@H+](CC(=O)NCC1CCCCC1)CC1CC1 ZINC000081062739 334177951 /nfs/dbraw/zinc/17/79/51/334177951.db2.gz TXRPQCMZHMDONO-UHFFFAOYSA-N 1 2 277.412 2.309 20 30 CEEDLO N#CCC[N@H+](CC(=O)NCC1CCCCC1)CC1CC1 ZINC000081062739 334177953 /nfs/dbraw/zinc/17/79/53/334177953.db2.gz TXRPQCMZHMDONO-UHFFFAOYSA-N 1 2 277.412 2.309 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc2c1OCCCO2 ZINC000566951462 334670661 /nfs/dbraw/zinc/67/06/61/334670661.db2.gz PARFKIFCHXBOFS-ZDUSSCGKSA-N 1 2 285.347 2.381 20 30 CEEDLO N#CCc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000567768652 334759580 /nfs/dbraw/zinc/75/95/80/334759580.db2.gz UBOHKHLEDTXCDY-UHFFFAOYSA-N 1 2 264.332 2.454 20 30 CEEDLO Cc1csc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000184174956 335919765 /nfs/dbraw/zinc/91/97/65/335919765.db2.gz KLWDOHNPKASDMI-FZMZJTMJSA-N 1 2 294.424 2.157 20 30 CEEDLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000581832217 336149555 /nfs/dbraw/zinc/14/95/55/336149555.db2.gz BDIHJDCUPYUKJK-LBPRGKRZSA-N 1 2 291.782 2.459 20 30 CEEDLO C/C=C\c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000581999062 336188019 /nfs/dbraw/zinc/18/80/19/336188019.db2.gz OLQQVXBVTAHEAS-OICCZTGUSA-N 1 2 273.380 2.338 20 30 CEEDLO C/C=C\c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000581999062 336188021 /nfs/dbraw/zinc/18/80/21/336188021.db2.gz OLQQVXBVTAHEAS-OICCZTGUSA-N 1 2 273.380 2.338 20 30 CEEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000874904119 649866633 /nfs/dbraw/zinc/86/66/33/649866633.db2.gz YHLYFDDBUXWOGU-LLVKDONJSA-N 1 2 298.321 2.403 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)CCc1c[nH+]cn1C ZINC000281326221 500578097 /nfs/dbraw/zinc/57/80/97/500578097.db2.gz VFRHWAPRMFRQQX-UHFFFAOYSA-N 1 2 287.363 2.203 20 30 CEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccnc1 ZINC000154255446 534297560 /nfs/dbraw/zinc/29/75/60/534297560.db2.gz FPWHMVVTTVINMR-CYBMUJFWSA-N 1 2 294.358 2.412 20 30 CEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1 ZINC000154255446 534297562 /nfs/dbraw/zinc/29/75/62/534297562.db2.gz FPWHMVVTTVINMR-CYBMUJFWSA-N 1 2 294.358 2.412 20 30 CEEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000153859209 519870271 /nfs/dbraw/zinc/87/02/71/519870271.db2.gz FHMAMTIYGQHJSY-ZDUSSCGKSA-N 1 2 285.351 2.491 20 30 CEEDLO Cc1nc([C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)no1 ZINC000332360552 534584634 /nfs/dbraw/zinc/58/46/34/534584634.db2.gz UYLGULJSBFBFFJ-HNNXBMFYSA-N 1 2 298.346 2.018 20 30 CEEDLO Cc1nc([C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)no1 ZINC000332360552 534584640 /nfs/dbraw/zinc/58/46/40/534584640.db2.gz UYLGULJSBFBFFJ-HNNXBMFYSA-N 1 2 298.346 2.018 20 30 CEEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1Cl ZINC000062791085 524358915 /nfs/dbraw/zinc/35/89/15/524358915.db2.gz CIAVMGXHPSEMSZ-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C=CCN(CCOC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000351938497 526290714 /nfs/dbraw/zinc/29/07/14/526290714.db2.gz WASQJEZNSPYNKC-UHFFFAOYSA-N 1 2 263.341 2.365 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)CCn1cc[nH+]c1 ZINC000352590597 526317164 /nfs/dbraw/zinc/31/71/64/526317164.db2.gz NEMKEYBBODKDSQ-UHFFFAOYSA-N 1 2 273.336 2.124 20 30 CEEDLO N#Cc1cnccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000363695058 526537003 /nfs/dbraw/zinc/53/70/03/526537003.db2.gz NLNDKUPSHJFURW-UHFFFAOYSA-N 1 2 275.315 2.173 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCOc3ccccc3C2)ccn1 ZINC000068766851 526549798 /nfs/dbraw/zinc/54/97/98/526549798.db2.gz XROYCLZTMRKJGX-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCOc3ccccc3C2)ccn1 ZINC000068766851 526549804 /nfs/dbraw/zinc/54/98/04/526549804.db2.gz XROYCLZTMRKJGX-UHFFFAOYSA-N 1 2 265.316 2.348 20 30 CEEDLO C=CCNC(=O)CNc1[nH+]cccc1OCc1ccccc1 ZINC000354610101 526575544 /nfs/dbraw/zinc/57/55/44/526575544.db2.gz VXQGXYNKTUHSHV-UHFFFAOYSA-N 1 2 297.358 2.375 20 30 CEEDLO CCC1([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330306087 527769561 /nfs/dbraw/zinc/76/95/61/527769561.db2.gz RDLWNDWMWUQQCU-LLVKDONJSA-N 1 2 262.357 2.034 20 30 CEEDLO CCC1(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330306087 527769565 /nfs/dbraw/zinc/76/95/65/527769565.db2.gz RDLWNDWMWUQQCU-LLVKDONJSA-N 1 2 262.357 2.034 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352003725 528849335 /nfs/dbraw/zinc/84/93/35/528849335.db2.gz AFGDDGNUBPTYJB-WCQYABFASA-N 1 2 287.354 2.018 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352003725 528849338 /nfs/dbraw/zinc/84/93/38/528849338.db2.gz AFGDDGNUBPTYJB-WCQYABFASA-N 1 2 287.354 2.018 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 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C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000730096011 574501436 /nfs/dbraw/zinc/50/14/36/574501436.db2.gz ZADOXOZYCWAZME-ZDUSSCGKSA-N 1 2 264.275 2.001 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000730096011 574501437 /nfs/dbraw/zinc/50/14/37/574501437.db2.gz ZADOXOZYCWAZME-ZDUSSCGKSA-N 1 2 264.275 2.001 20 30 CEEDLO COc1cccc(/C=[NH+]/CCCN2CCCCC2=O)c1O ZINC000730147822 574502922 /nfs/dbraw/zinc/50/29/22/574502922.db2.gz UCWXURVTJBHRPL-SFQUDFHCSA-N 1 2 290.363 2.222 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000730279164 574513292 /nfs/dbraw/zinc/51/32/92/574513292.db2.gz JLCFRECAVINRMH-LBPRGKRZSA-N 1 2 278.739 2.082 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000730279164 574513294 /nfs/dbraw/zinc/51/32/94/574513294.db2.gz JLCFRECAVINRMH-LBPRGKRZSA-N 1 2 278.739 2.082 20 30 CEEDLO C[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000741463963 574596026 /nfs/dbraw/zinc/59/60/26/574596026.db2.gz JSHVJYWIKQKJMS-MGWVCDIQSA-N 1 2 277.324 2.202 20 30 CEEDLO C[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000741463963 574596028 /nfs/dbraw/zinc/59/60/28/574596028.db2.gz JSHVJYWIKQKJMS-MGWVCDIQSA-N 1 2 277.324 2.202 20 30 CEEDLO C=CC[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccncc1 ZINC000734652601 574724271 /nfs/dbraw/zinc/72/42/71/574724271.db2.gz OBHCMRMEFAUFTM-OAHLLOKOSA-N 1 2 299.378 2.285 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CC2Cc3ccccc3C2)c1O ZINC000735229471 574747252 /nfs/dbraw/zinc/74/72/52/574747252.db2.gz ZZMLIXUELFPBKE-VXLYETTFSA-N 1 2 296.370 2.422 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCCCC[C@H]2C)c1=S ZINC000738224140 574854509 /nfs/dbraw/zinc/85/45/09/574854509.db2.gz LLRBDJRIUAVQLO-LLVKDONJSA-N 1 2 267.402 2.217 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCCCC[C@H]2C)c1=S ZINC000738224140 574854511 /nfs/dbraw/zinc/85/45/11/574854511.db2.gz LLRBDJRIUAVQLO-LLVKDONJSA-N 1 2 267.402 2.217 20 30 CEEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC(C1CC1)C1CC1 ZINC000739915131 574936271 /nfs/dbraw/zinc/93/62/71/574936271.db2.gz 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/nfs/dbraw/zinc/23/54/18/613235418.db2.gz DXPADZGEFQOHGP-SNVBAGLBSA-N 1 2 289.217 2.132 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC000972703518 613235474 /nfs/dbraw/zinc/23/54/74/613235474.db2.gz DXPADZGEFQOHGP-JTQLQIEISA-N 1 2 289.217 2.132 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC000972703518 613235476 /nfs/dbraw/zinc/23/54/76/613235476.db2.gz DXPADZGEFQOHGP-JTQLQIEISA-N 1 2 289.217 2.132 20 30 CEEDLO C[N@@H+]1CC[C@@H]1CNc1c(Br)cccc1C#N ZINC000895767616 630337035 /nfs/dbraw/zinc/33/70/35/630337035.db2.gz OPEGCXQFWZJRQU-SNVBAGLBSA-N 1 2 280.169 2.437 20 30 CEEDLO C[N@H+]1CC[C@@H]1CNc1c(Br)cccc1C#N ZINC000895767616 630337037 /nfs/dbraw/zinc/33/70/37/630337037.db2.gz OPEGCXQFWZJRQU-SNVBAGLBSA-N 1 2 280.169 2.437 20 30 CEEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966261899 613217692 /nfs/dbraw/zinc/21/76/92/613217692.db2.gz IIWUPODSFBXEDI-PWSUYJOCSA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966261899 613217693 /nfs/dbraw/zinc/21/76/93/613217693.db2.gz IIWUPODSFBXEDI-PWSUYJOCSA-N 1 2 296.823 2.475 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC000957109218 613295364 /nfs/dbraw/zinc/29/53/64/613295364.db2.gz XOYCWWBYJZHGHS-HOCLYGCPSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000950369331 613318709 /nfs/dbraw/zinc/31/87/09/613318709.db2.gz HPPIWJQZYLHJTQ-GDBMZVCRSA-N 1 2 262.397 2.287 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000950682738 613321327 /nfs/dbraw/zinc/32/13/27/613321327.db2.gz NCAMKRWRMGJBCV-UHFFFAOYSA-N 1 2 279.771 2.069 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncsc2C2CC2)CC1 ZINC000950478882 613322121 /nfs/dbraw/zinc/32/21/21/613322121.db2.gz PNOOPFLHHWWCBI-UHFFFAOYSA-N 1 2 291.420 2.354 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000969456932 613371580 /nfs/dbraw/zinc/37/15/80/613371580.db2.gz SJDROHOEVVWGRF-ZZVYKPCYSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncccc2C)C1 ZINC000969451918 613372049 /nfs/dbraw/zinc/37/20/49/613372049.db2.gz HQZYBKQAHMVNBA-GFCCVEGCSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC000970398748 613372079 /nfs/dbraw/zinc/37/20/79/613372079.db2.gz LDWAEWIYUZQNMT-NSHDSACASA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC2(C)C)C1 ZINC000969512333 613372101 /nfs/dbraw/zinc/37/21/01/613372101.db2.gz XDEIMJYGQINFPQ-JQWIXIFHSA-N 1 2 270.804 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000980882027 613373145 /nfs/dbraw/zinc/37/31/45/613373145.db2.gz VHWLHXZHSGJHOS-AATRIKPKSA-N 1 2 268.788 2.239 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000980882027 613373146 /nfs/dbraw/zinc/37/31/46/613373146.db2.gz VHWLHXZHSGJHOS-AATRIKPKSA-N 1 2 268.788 2.239 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000965901583 613375887 /nfs/dbraw/zinc/37/58/87/613375887.db2.gz VVIZJVGGEHDIQR-BXUZGUMPSA-N 1 2 295.814 2.218 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000965901583 613375888 /nfs/dbraw/zinc/37/58/88/613375888.db2.gz VVIZJVGGEHDIQR-BXUZGUMPSA-N 1 2 295.814 2.218 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC000951186940 613655027 /nfs/dbraw/zinc/65/50/27/613655027.db2.gz ZJYGUHMGQRNOTA-CYBMUJFWSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC000957070524 613655913 /nfs/dbraw/zinc/65/59/13/613655913.db2.gz HUYNDGLYVDUCGD-GDBMZVCRSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2c[nH]c3c2cccc3C)CC1 ZINC000951200565 613709231 /nfs/dbraw/zinc/70/92/31/613709231.db2.gz DLSLTCDQAVTPET-UHFFFAOYSA-N 1 2 297.402 2.349 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000950446743 613710771 /nfs/dbraw/zinc/71/07/71/613710771.db2.gz FLRLVEJJSYHTQF-LBPRGKRZSA-N 1 2 264.394 2.182 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2OC(C)C)CC1 ZINC000957409808 613716936 /nfs/dbraw/zinc/71/69/36/613716936.db2.gz ZZJFQMNWWWBHPV-UHFFFAOYSA-N 1 2 288.391 2.418 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-n2cccc2)CC1 ZINC000950000602 613716940 /nfs/dbraw/zinc/71/69/40/613716940.db2.gz NZNRIGIRNXUKNX-UHFFFAOYSA-N 1 2 295.386 2.421 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2Cl)CC1 ZINC000949501987 613718001 /nfs/dbraw/zinc/71/80/01/613718001.db2.gz QDYNRZFGNRYMIZ-UHFFFAOYSA-N 1 2 296.802 2.061 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001024427958 625553851 /nfs/dbraw/zinc/55/38/51/625553851.db2.gz RYEHKESWHLKYGV-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001024427958 625553859 /nfs/dbraw/zinc/55/38/59/625553859.db2.gz RYEHKESWHLKYGV-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO C#CCOc1ccccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000188028261 622762838 /nfs/dbraw/zinc/76/28/38/622762838.db2.gz KFJIFBCIPKPHBH-UHFFFAOYSA-N 1 2 298.346 2.107 20 30 CEEDLO c1ccc(C[N@@H+]2CCC(=NN[C@H]3CCSC3)C2)cc1 ZINC000807999725 623296875 /nfs/dbraw/zinc/29/68/75/623296875.db2.gz ABGKBENIIWEUJA-HNNXBMFYSA-N 1 2 275.421 2.343 20 30 CEEDLO c1ccc(C[N@H+]2CCC(=NN[C@H]3CCSC3)C2)cc1 ZINC000807999725 623296880 /nfs/dbraw/zinc/29/68/80/623296880.db2.gz ABGKBENIIWEUJA-HNNXBMFYSA-N 1 2 275.421 2.343 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000891313431 623410029 /nfs/dbraw/zinc/41/00/29/623410029.db2.gz NNTAHOSZVJBNHP-ZDUSSCGKSA-N 1 2 265.316 2.066 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933328351 623652696 /nfs/dbraw/zinc/65/26/96/623652696.db2.gz ZPTLABQXWLAIHJ-HNNXBMFYSA-N 1 2 285.391 2.489 20 30 CEEDLO CC(C)(C#N)CCC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933328351 623652698 /nfs/dbraw/zinc/65/26/98/623652698.db2.gz ZPTLABQXWLAIHJ-HNNXBMFYSA-N 1 2 285.391 2.489 20 30 CEEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933665838 623957484 /nfs/dbraw/zinc/95/74/84/623957484.db2.gz KNJVVAZCQFZWFR-ZWKOTPCHSA-N 1 2 285.387 2.166 20 30 CEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933665838 623957489 /nfs/dbraw/zinc/95/74/89/623957489.db2.gz KNJVVAZCQFZWFR-ZWKOTPCHSA-N 1 2 285.387 2.166 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C2OCCO2)c1F ZINC000933899378 624074978 /nfs/dbraw/zinc/07/49/78/624074978.db2.gz AZMJOPGOBHKFJT-CYBMUJFWSA-N 1 2 276.311 2.035 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2OCCO2)c1F ZINC000933899378 624074980 /nfs/dbraw/zinc/07/49/80/624074980.db2.gz AZMJOPGOBHKFJT-CYBMUJFWSA-N 1 2 276.311 2.035 20 30 CEEDLO CCn1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)cn1 ZINC000255498956 624463820 /nfs/dbraw/zinc/46/38/20/624463820.db2.gz XUBVDBLGCRWIIG-SREVYHEPSA-N 1 2 266.304 2.447 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(C(=O)OC)co1 ZINC000934458700 624505666 /nfs/dbraw/zinc/50/56/66/624505666.db2.gz CGYZNVDCOPMZQF-UWVGGRQHSA-N 1 2 250.298 2.173 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(C(=O)OC)co1 ZINC000934458700 624505672 /nfs/dbraw/zinc/50/56/72/624505672.db2.gz CGYZNVDCOPMZQF-UWVGGRQHSA-N 1 2 250.298 2.173 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2nccs2)cc1 ZINC000161277326 624520647 /nfs/dbraw/zinc/52/06/47/624520647.db2.gz SSFKXJDEFTWAES-UHFFFAOYSA-N 1 2 277.349 2.183 20 30 CEEDLO Cc1noc(C)c1CO[NH+]=C(N)Cc1ccccc1 ZINC000120356997 624711418 /nfs/dbraw/zinc/71/14/18/624711418.db2.gz HZHNOIOHGBINGD-UHFFFAOYSA-N 1 2 259.309 2.323 20 30 CEEDLO COc1cncc(CNc2cc(CC#N)cc[nH+]2)c1C ZINC000902068180 634447146 /nfs/dbraw/zinc/44/71/46/634447146.db2.gz WUHQOCIWFNVZBO-UHFFFAOYSA-N 1 2 268.320 2.472 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000820640327 634484507 /nfs/dbraw/zinc/48/45/07/634484507.db2.gz NYHLQFPNRVCCPO-CHWSQXEVSA-N 1 2 274.368 2.101 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)CCC ZINC000820658490 634491787 /nfs/dbraw/zinc/49/17/87/634491787.db2.gz OUOKRISQTNEELP-ZDUSSCGKSA-N 1 2 262.353 2.447 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2C[C@]23CCOC3)ccc1F ZINC000902222969 634531622 /nfs/dbraw/zinc/53/16/22/634531622.db2.gz QBBSDHAIFFTMKV-WFASDCNBSA-N 1 2 278.327 2.198 20 30 CEEDLO CSc1ccc(C[NH2+][C@@H](C)c2cnn(C)n2)cc1C#N ZINC000926867101 627864620 /nfs/dbraw/zinc/86/46/20/627864620.db2.gz APVSQKHJQWICIZ-JTQLQIEISA-N 1 2 287.392 2.259 20 30 CEEDLO CSCC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000902391463 634631710 /nfs/dbraw/zinc/63/17/10/634631710.db2.gz GFGAVMMDBGXXMG-UHFFFAOYSA-N 1 2 291.420 2.061 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001009701179 628647675 /nfs/dbraw/zinc/64/76/75/628647675.db2.gz DPPSJWVCLSPMJW-LLVKDONJSA-N 1 2 280.368 2.105 20 30 CEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001009701179 628647678 /nfs/dbraw/zinc/64/76/78/628647678.db2.gz DPPSJWVCLSPMJW-LLVKDONJSA-N 1 2 280.368 2.105 20 30 CEEDLO Cc1cc(F)c(C#N)c(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000893513276 628666543 /nfs/dbraw/zinc/66/65/43/628666543.db2.gz PODPOZHLENRVSM-UHFFFAOYSA-N 1 2 289.354 2.283 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000221708881 628730963 /nfs/dbraw/zinc/73/09/63/628730963.db2.gz AOYWVDZYUVNHCQ-YVMONPNESA-N 1 2 288.778 2.131 20 30 CEEDLO CC[C@H](CC#N)[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000893605817 628784453 /nfs/dbraw/zinc/78/44/53/628784453.db2.gz KEOUTPBBVNDIOQ-CQSZACIVSA-N 1 2 287.363 2.289 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)Nc1[nH+]cnc2c1cnn2C ZINC000794788390 629320687 /nfs/dbraw/zinc/32/06/87/629320687.db2.gz SREYPUUWJSPNIT-AWEZNQCLSA-N 1 2 291.358 2.410 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C#N)C3)ccn12 ZINC000928214378 629329543 /nfs/dbraw/zinc/32/95/43/629329543.db2.gz MDZHJLRYTDOYEJ-LBPRGKRZSA-N 1 2 268.320 2.019 20 30 CEEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cncnc2)c(C)c1 ZINC000794979511 629388775 /nfs/dbraw/zinc/38/87/75/629388775.db2.gz XRHVYYMARVVMIS-UHFFFAOYSA-N 1 2 299.378 2.050 20 30 CEEDLO CN1CCCc2cc(C=[NH+]Nc3cncnc3)ccc21 ZINC000794979548 629389044 /nfs/dbraw/zinc/38/90/44/629389044.db2.gz YYNZAIYNOALIMG-UHFFFAOYSA-N 1 2 267.336 2.305 20 30 CEEDLO CC#CC[C@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000894365410 629395989 /nfs/dbraw/zinc/39/59/89/629395989.db2.gz BGCJDUIXKPVTLF-CYBMUJFWSA-N 1 2 259.353 2.239 20 30 CEEDLO C#CC[C@@H](CCOC)Nc1cc(CC)[nH+]c(CC)n1 ZINC000894829116 629666575 /nfs/dbraw/zinc/66/65/75/629666575.db2.gz XDHFFEVEAQBLKJ-ZDUSSCGKSA-N 1 2 261.369 2.442 20 30 CEEDLO CCCCCCCS(=O)(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000796067948 629762346 /nfs/dbraw/zinc/76/23/46/629762346.db2.gz GSBNYXDQCSTWOU-CQSZACIVSA-N 1 2 290.473 2.313 20 30 CEEDLO CCCCCCCS(=O)(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000796067948 629762349 /nfs/dbraw/zinc/76/23/49/629762349.db2.gz GSBNYXDQCSTWOU-CQSZACIVSA-N 1 2 290.473 2.313 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@H](C)C#N ZINC000796777866 630002911 /nfs/dbraw/zinc/00/29/11/630002911.db2.gz QWYQHDOPPKITCL-MRVPVSSYSA-N 1 2 293.273 2.326 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OCC ZINC000895597547 630271029 /nfs/dbraw/zinc/27/10/29/630271029.db2.gz ITDVMCQJTBNMMR-CHWSQXEVSA-N 1 2 253.342 2.167 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000895675204 630295237 /nfs/dbraw/zinc/29/52/37/630295237.db2.gz NITGNQOWHJPEIX-UHFFFAOYSA-N 1 2 283.293 2.454 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cs1 ZINC000895755623 630331784 /nfs/dbraw/zinc/33/17/84/630331784.db2.gz YTWIQIPOUZMECE-NSHDSACASA-N 1 2 272.320 2.476 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)cs1 ZINC000895755623 630331788 /nfs/dbraw/zinc/33/17/88/630331788.db2.gz YTWIQIPOUZMECE-NSHDSACASA-N 1 2 272.320 2.476 20 30 CEEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1F ZINC000895804899 630355514 /nfs/dbraw/zinc/35/55/14/630355514.db2.gz NSRUBDAOGVWCSU-ZDUSSCGKSA-N 1 2 277.343 2.220 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(OC)cc1OC)C1CSC1 ZINC000895814093 630359787 /nfs/dbraw/zinc/35/97/87/630359787.db2.gz LPLUGUSRDPYISM-UHFFFAOYSA-N 1 2 277.389 2.254 20 30 CEEDLO C#CC[N@H+](Cc1ccc(OC)cc1OC)C1CSC1 ZINC000895814093 630359788 /nfs/dbraw/zinc/35/97/88/630359788.db2.gz LPLUGUSRDPYISM-UHFFFAOYSA-N 1 2 277.389 2.254 20 30 CEEDLO N#Cc1ccc2ncc(C[N@@H+]3CCn4cccc4C3)n2c1 ZINC000896762192 630662021 /nfs/dbraw/zinc/66/20/21/630662021.db2.gz ZPFVFMVPCDVKSU-UHFFFAOYSA-N 1 2 277.331 2.023 20 30 CEEDLO N#Cc1ccc2ncc(C[N@H+]3CCn4cccc4C3)n2c1 ZINC000896762192 630662025 /nfs/dbraw/zinc/66/20/25/630662025.db2.gz ZPFVFMVPCDVKSU-UHFFFAOYSA-N 1 2 277.331 2.023 20 30 CEEDLO C[C@]1(C#N)CN(c2cc[nH+]c3c(O)cccc23)CCO1 ZINC000896857726 630694260 /nfs/dbraw/zinc/69/42/60/630694260.db2.gz QZUBCTNUCQNIOD-HNNXBMFYSA-N 1 2 269.304 2.059 20 30 CEEDLO COc1cc(C[NH2+]Cc2ncc(Cl)n2C)ccc1C#N ZINC000799335656 631013115 /nfs/dbraw/zinc/01/31/15/631013115.db2.gz AXVWCFSRUQBBHM-UHFFFAOYSA-N 1 2 290.754 2.244 20 30 CEEDLO COc1cc(F)cc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)c1 ZINC000799483872 631032349 /nfs/dbraw/zinc/03/23/49/631032349.db2.gz PAHQBKZKYSNAGQ-CQSZACIVSA-N 1 2 291.326 2.387 20 30 CEEDLO CCn1c[nH+]c2c1CCN(Cc1csc(C#N)c1)C2 ZINC000897333693 631133392 /nfs/dbraw/zinc/13/33/92/631133392.db2.gz KTZBTTILENOVLR-UHFFFAOYSA-N 1 2 272.377 2.394 20 30 CEEDLO C#C[C@@H]1CCCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000897360893 631187167 /nfs/dbraw/zinc/18/71/67/631187167.db2.gz SQBYYEXQFITMEP-CYBMUJFWSA-N 1 2 256.353 2.069 20 30 CEEDLO C#C[C@@H]1CCCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC000897360893 631187168 /nfs/dbraw/zinc/18/71/68/631187168.db2.gz SQBYYEXQFITMEP-CYBMUJFWSA-N 1 2 256.353 2.069 20 30 CEEDLO C[C@H](C#N)OCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000802729273 631448748 /nfs/dbraw/zinc/44/87/48/631448748.db2.gz OTTCCLGHOVCITA-SNVBAGLBSA-N 1 2 281.743 2.310 20 30 CEEDLO C#C[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000806260830 631728415 /nfs/dbraw/zinc/72/84/15/631728415.db2.gz BOQYCCKXPFJMQZ-ZDUSSCGKSA-N 1 2 298.346 2.105 20 30 CEEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000897733155 631906620 /nfs/dbraw/zinc/90/66/20/631906620.db2.gz POLKDDKHZQGPQX-UHFFFAOYSA-N 1 2 276.290 2.153 20 30 CEEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808181342 631933344 /nfs/dbraw/zinc/93/33/44/631933344.db2.gz XARUKIXRTBMHCR-ZDUSSCGKSA-N 1 2 259.353 2.066 20 30 CEEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808181342 631933347 /nfs/dbraw/zinc/93/33/47/631933347.db2.gz XARUKIXRTBMHCR-ZDUSSCGKSA-N 1 2 259.353 2.066 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230522 631938380 /nfs/dbraw/zinc/93/83/80/631938380.db2.gz JTPGRHMYGJQAAX-LBPRGKRZSA-N 1 2 279.413 2.075 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1=S ZINC000808230522 631938376 /nfs/dbraw/zinc/93/83/76/631938376.db2.gz JTPGRHMYGJQAAX-LBPRGKRZSA-N 1 2 279.413 2.075 20 30 CEEDLO C[C@H]1CC(C)(C)C[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000840180194 632094511 /nfs/dbraw/zinc/09/45/11/632094511.db2.gz FTRAPNHELJQRNE-JTQLQIEISA-N 1 2 279.413 2.095 20 30 CEEDLO C[C@H]1CC(C)(C)C[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000840180194 632094519 /nfs/dbraw/zinc/09/45/19/632094519.db2.gz FTRAPNHELJQRNE-JTQLQIEISA-N 1 2 279.413 2.095 20 30 CEEDLO CC(=O)c1ccc(C#N)cc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000811725481 632430941 /nfs/dbraw/zinc/43/09/41/632430941.db2.gz AQBRTMLCHUFDOT-NSHDSACASA-N 1 2 268.320 2.458 20 30 CEEDLO N#CC1CC[NH+](CN2CC[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000811740806 632434233 /nfs/dbraw/zinc/43/42/33/632434233.db2.gz XXLYAQNTJYZKPK-KRWDZBQOSA-N 1 2 297.402 2.271 20 30 CEEDLO CCCNC(=O)CC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000924728782 632471750 /nfs/dbraw/zinc/47/17/50/632471750.db2.gz FWSCXNSDIJVCHG-CQSZACIVSA-N 1 2 289.379 2.221 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502287 632525847 /nfs/dbraw/zinc/52/58/47/632525847.db2.gz CSZDPOORBWZCKL-GFCCVEGCSA-N 1 2 256.365 2.139 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502287 632525848 /nfs/dbraw/zinc/52/58/48/632525848.db2.gz CSZDPOORBWZCKL-GFCCVEGCSA-N 1 2 256.365 2.139 20 30 CEEDLO N#C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC12CCCC2 ZINC000898503922 632527098 /nfs/dbraw/zinc/52/70/98/632527098.db2.gz OBEIMNFDSQNPON-CZUORRHYSA-N 1 2 293.386 2.011 20 30 CEEDLO N#C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC12CCCC2 ZINC000898503922 632527103 /nfs/dbraw/zinc/52/71/03/632527103.db2.gz OBEIMNFDSQNPON-CZUORRHYSA-N 1 2 293.386 2.011 20 30 CEEDLO C=C(C)[C@H](CC(=O)NCC(C)(C)n1cc[nH+]c1)OCC ZINC000898904851 632640741 /nfs/dbraw/zinc/64/07/41/632640741.db2.gz LEWIGKOMYDYHCR-ZDUSSCGKSA-N 1 2 279.384 2.106 20 30 CEEDLO C#CCCOc1ccc(C[NH+]2CC(C)(OC)C2)cc1 ZINC000813332207 632670526 /nfs/dbraw/zinc/67/05/26/632670526.db2.gz QYJOIXOOEJDXAM-UHFFFAOYSA-N 1 2 259.349 2.309 20 30 CEEDLO C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000814669064 632877031 /nfs/dbraw/zinc/87/70/31/632877031.db2.gz KKJFPEADSUPOQP-CYBMUJFWSA-N 1 2 268.307 2.480 20 30 CEEDLO C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000814669064 632877036 /nfs/dbraw/zinc/87/70/36/632877036.db2.gz KKJFPEADSUPOQP-CYBMUJFWSA-N 1 2 268.307 2.480 20 30 CEEDLO C=CCN(CCC#N)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000814679063 632878725 /nfs/dbraw/zinc/87/87/25/632878725.db2.gz ZXTNLROSQMNTEY-UHFFFAOYSA-N 1 2 287.367 2.390 20 30 CEEDLO CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(N)[nH+]c1 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CC[C@@H]1C[C@@H](C=[NH+]n2nnc3c2CCCC3)CCO1 ZINC000901331504 634048193 /nfs/dbraw/zinc/04/81/93/634048193.db2.gz RAZWUWMQTBBMIP-NWDGAFQWSA-N 1 2 262.357 2.196 20 30 CEEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc2n(n1)CCCC2 ZINC000901564254 634181371 /nfs/dbraw/zinc/18/13/71/634181371.db2.gz VIGOWQYYTLASQP-SREVYHEPSA-N 1 2 270.336 2.332 20 30 CEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000823007120 635047659 /nfs/dbraw/zinc/04/76/59/635047659.db2.gz UJENVMXGSCUTDJ-INIZCTEOSA-N 1 2 265.316 2.002 20 30 CEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2Cc3cccnc3C2)cc1 ZINC000823007120 635047660 /nfs/dbraw/zinc/04/76/60/635047660.db2.gz UJENVMXGSCUTDJ-INIZCTEOSA-N 1 2 265.316 2.002 20 30 CEEDLO Cc1cc(CNC(=O)C2(C#N)CCSCC2)cc(C)[nH+]1 ZINC000823056768 635056576 /nfs/dbraw/zinc/05/65/76/635056576.db2.gz HNKBQUQNNFRWRH-UHFFFAOYSA-N 1 2 289.404 2.352 20 30 CEEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000824866518 635514807 /nfs/dbraw/zinc/51/48/07/635514807.db2.gz FCEJHJMGOCXDOK-UHFFFAOYSA-N 1 2 290.338 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C#CCOCC[N@@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000851867789 643199125 /nfs/dbraw/zinc/19/91/25/643199125.db2.gz DJHZYRVPGATWHH-HNNXBMFYSA-N 1 2 289.375 2.263 20 30 CEEDLO C#CCOCC[N@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000851867789 643199127 /nfs/dbraw/zinc/19/91/27/643199127.db2.gz DJHZYRVPGATWHH-HNNXBMFYSA-N 1 2 289.375 2.263 20 30 CEEDLO C#CCOCC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000851933324 643232618 /nfs/dbraw/zinc/23/26/18/643232618.db2.gz VVUYUWKKYRWKEC-GFCCVEGCSA-N 1 2 277.368 2.418 20 30 CEEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000852125521 643320233 /nfs/dbraw/zinc/32/02/33/643320233.db2.gz KOSXIPSSAOYNDC-UHFFFAOYSA-N 1 2 283.375 2.122 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1ncc(C(C)C)o1 ZINC000852751955 643535634 /nfs/dbraw/zinc/53/56/34/643535634.db2.gz PWISPQQNWFECEA-UHFFFAOYSA-N 1 2 250.342 2.270 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1ncc(C(C)C)o1 ZINC000852751955 643535638 /nfs/dbraw/zinc/53/56/38/643535638.db2.gz PWISPQQNWFECEA-UHFFFAOYSA-N 1 2 250.342 2.270 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)CCCO ZINC000853440386 643771464 /nfs/dbraw/zinc/77/14/64/643771464.db2.gz BAKWSXRUARDRLB-ZDUSSCGKSA-N 1 2 262.353 2.447 20 30 CEEDLO C=CC[N@H+](CN1Cc2ccc(F)cc2C1=O)[C@H](C)COC ZINC000853534593 643804689 /nfs/dbraw/zinc/80/46/89/643804689.db2.gz KLPFSKFJWYGPKU-GFCCVEGCSA-N 1 2 292.354 2.262 20 30 CEEDLO C=CC[N@@H+](CN1Cc2ccc(F)cc2C1=O)[C@H](C)COC ZINC000853534593 643804691 /nfs/dbraw/zinc/80/46/91/643804691.db2.gz KLPFSKFJWYGPKU-GFCCVEGCSA-N 1 2 292.354 2.262 20 30 CEEDLO Cc1ccc2c(c1)C[N@@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000853533352 643804961 /nfs/dbraw/zinc/80/49/61/643804961.db2.gz CRNQDEMRKMHONK-UHFFFAOYSA-N 1 2 279.343 2.044 20 30 CEEDLO Cc1ccc2c(c1)C[N@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000853533352 643804964 /nfs/dbraw/zinc/80/49/64/643804964.db2.gz CRNQDEMRKMHONK-UHFFFAOYSA-N 1 2 279.343 2.044 20 30 CEEDLO C=CCONC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000838712434 644001178 /nfs/dbraw/zinc/00/11/78/644001178.db2.gz QHOZJFZQTLHMQJ-GFCCVEGCSA-N 1 2 295.408 2.254 20 30 CEEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(CC)n2)c1 ZINC000838958378 644084356 /nfs/dbraw/zinc/08/43/56/644084356.db2.gz KHLPRNLFDFDKHV-HNNXBMFYSA-N 1 2 299.378 2.269 20 30 CEEDLO C#C[C@@](C)(CC)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000854700896 644137323 /nfs/dbraw/zinc/13/73/23/644137323.db2.gz HEFFVOXDGSXFTK-KRWDZBQOSA-N 1 2 281.359 2.463 20 30 CEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccccc1 ZINC000839383715 644217210 /nfs/dbraw/zinc/21/72/10/644217210.db2.gz OCGVLITYPXVZOC-UHFFFAOYSA-N 1 2 258.281 2.032 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccccc1F)C1CC1 ZINC000754370008 644363235 /nfs/dbraw/zinc/36/32/35/644363235.db2.gz ALJJFBZMAJXEIA-NHYWBVRUSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccccc1F)C1CC1 ZINC000754370008 644363239 /nfs/dbraw/zinc/36/32/39/644363239.db2.gz ALJJFBZMAJXEIA-NHYWBVRUSA-N 1 2 262.328 2.483 20 30 CEEDLO Cc1ccc2[nH+]cc(CN=Nc3ccc([N+](=O)[O-])cn3)n2c1 ZINC000755649699 644539665 /nfs/dbraw/zinc/53/96/65/644539665.db2.gz MTOQOAXBEKQVQI-UHFFFAOYSA-N 1 2 296.290 2.392 20 30 CEEDLO C=CCCONC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000856036161 644551530 /nfs/dbraw/zinc/55/15/30/644551530.db2.gz TYNCBGGIEDOOOG-INIZCTEOSA-N 1 2 288.391 2.490 20 30 CEEDLO C#CC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)c1ccccc1 ZINC000756953687 644712719 /nfs/dbraw/zinc/71/27/19/644712719.db2.gz POGRCDMMBYPJRP-AWEZNQCLSA-N 1 2 281.363 2.423 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000757759343 644844214 /nfs/dbraw/zinc/84/42/14/644844214.db2.gz WTIWYUZHUBGMTC-UHFFFAOYSA-N 1 2 256.305 2.362 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000757759343 644844217 /nfs/dbraw/zinc/84/42/17/644844217.db2.gz WTIWYUZHUBGMTC-UHFFFAOYSA-N 1 2 256.305 2.362 20 30 CEEDLO COCOc1ccc(OC)cc1C[NH2+]CC(C)(C)C#N ZINC000757905115 644855118 /nfs/dbraw/zinc/85/51/18/644855118.db2.gz GCNOYYUANPGQGA-UHFFFAOYSA-N 1 2 278.352 2.317 20 30 CEEDLO C#C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@H]1CCCO1 ZINC000858406910 645147111 /nfs/dbraw/zinc/14/71/11/645147111.db2.gz ZIZGJVWZVXNIBY-QJPTWQEYSA-N 1 2 262.378 2.291 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(C)cs1)[C@@H]1CCCO1 ZINC000858406796 645147218 /nfs/dbraw/zinc/14/72/18/645147218.db2.gz WDNGUXDHZWOWHQ-SRVKXCTJSA-N 1 2 250.367 2.283 20 30 CEEDLO C=CCNC(=S)N(C)CCCc1[nH+]ccn1CCC ZINC000761504849 645292717 /nfs/dbraw/zinc/29/27/17/645292717.db2.gz BRGGRTLOFQVTIB-UHFFFAOYSA-N 1 2 280.441 2.218 20 30 CEEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(F)cc1N(C)C ZINC000761882112 645332536 /nfs/dbraw/zinc/33/25/36/645332536.db2.gz XLKBUEJXQVVJBT-UHFFFAOYSA-N 1 2 275.331 2.461 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000763949430 645592915 /nfs/dbraw/zinc/59/29/15/645592915.db2.gz LISLIKKUPNRGGL-VNHYZAJKSA-N 1 2 262.397 2.025 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000763949430 645592916 /nfs/dbraw/zinc/59/29/16/645592916.db2.gz LISLIKKUPNRGGL-VNHYZAJKSA-N 1 2 262.397 2.025 20 30 CEEDLO C#CC[N@H+](Cc1nc(CC2CC2)no1)C1CCCC1 ZINC000878185371 651028910 /nfs/dbraw/zinc/02/89/10/651028910.db2.gz JEILLMDFCBFMJL-UHFFFAOYSA-N 1 2 259.353 2.400 20 30 CEEDLO C#CC[N@@H+](Cc1nc(CC2CC2)no1)C1CCCC1 ZINC000878185371 651028913 /nfs/dbraw/zinc/02/89/13/651028913.db2.gz JEILLMDFCBFMJL-UHFFFAOYSA-N 1 2 259.353 2.400 20 30 CEEDLO C#CC[C@H](COC)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000861279637 646102148 /nfs/dbraw/zinc/10/21/48/646102148.db2.gz GYZRFKBBQHTFGU-CVEARBPZSA-N 1 2 289.375 2.261 20 30 CEEDLO C#CC[C@H](COC)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000861279637 646102149 /nfs/dbraw/zinc/10/21/49/646102149.db2.gz GYZRFKBBQHTFGU-CVEARBPZSA-N 1 2 289.375 2.261 20 30 CEEDLO Cc1cc(N=NCc2cccc3[nH+]ccn32)nc(C)n1 ZINC000771097416 646490705 /nfs/dbraw/zinc/49/07/05/646490705.db2.gz KQQIYSVPWBNMHX-UHFFFAOYSA-N 1 2 266.308 2.187 20 30 CEEDLO C[N@H+](CC(F)F)C1CCN(c2cccc(C#N)n2)CC1 ZINC000771151923 646496279 /nfs/dbraw/zinc/49/62/79/646496279.db2.gz DFPYRYMCZJRGOB-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C[N@@H+](CC(F)F)C1CCN(c2cccc(C#N)n2)CC1 ZINC000771151923 646496280 /nfs/dbraw/zinc/49/62/80/646496280.db2.gz DFPYRYMCZJRGOB-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C#CCCCC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000862860840 646587013 /nfs/dbraw/zinc/58/70/13/646587013.db2.gz QXZJOQQYATXIMY-UHFFFAOYSA-N 1 2 288.395 2.240 20 30 CEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C2CCCCC2)CC1 ZINC000772115021 646595989 /nfs/dbraw/zinc/59/59/89/646595989.db2.gz UKWSUNMGMWVQQX-UHFFFAOYSA-N 1 2 291.391 2.024 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2occc2c1 ZINC000863008330 646616120 /nfs/dbraw/zinc/61/61/20/646616120.db2.gz NNAZJPLMPIYYBL-AWEZNQCLSA-N 1 2 268.316 2.469 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2occc2c1 ZINC000863008330 646616127 /nfs/dbraw/zinc/61/61/27/646616127.db2.gz NNAZJPLMPIYYBL-AWEZNQCLSA-N 1 2 268.316 2.469 20 30 CEEDLO C[C@H](C#N)CN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863104165 646636286 /nfs/dbraw/zinc/63/62/86/646636286.db2.gz WASAGWJCDCKMTA-SECBINFHSA-N 1 2 266.295 2.114 20 30 CEEDLO C[C@H]1CN(C[N@@H+]2CCc3c(CC#N)cccc3C2)C(=O)[C@@H]1C ZINC000863335898 646706780 /nfs/dbraw/zinc/70/67/80/646706780.db2.gz LWSZWWBFBFGQKJ-UONOGXRCSA-N 1 2 297.402 2.183 20 30 CEEDLO C[C@H]1CN(C[N@H+]2CCc3c(CC#N)cccc3C2)C(=O)[C@@H]1C ZINC000863335898 646706784 /nfs/dbraw/zinc/70/67/84/646706784.db2.gz LWSZWWBFBFGQKJ-UONOGXRCSA-N 1 2 297.402 2.183 20 30 CEEDLO N#CCc1cccc2c1CC[N@@H+](CN1C(=O)[C@@H]3CCC[C@@H]31)C2 ZINC000863335988 646707008 /nfs/dbraw/zinc/70/70/08/646707008.db2.gz NBAIHNMVMATXJU-SJORKVTESA-N 1 2 295.386 2.079 20 30 CEEDLO N#CCc1cccc2c1CC[N@H+](CN1C(=O)[C@@H]3CCC[C@@H]31)C2 ZINC000863335988 646707016 /nfs/dbraw/zinc/70/70/16/646707016.db2.gz NBAIHNMVMATXJU-SJORKVTESA-N 1 2 295.386 2.079 20 30 CEEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O)C(C)C ZINC000773296205 646723688 /nfs/dbraw/zinc/72/36/88/646723688.db2.gz ZPKXBSSVOATSDD-OAHLLOKOSA-N 1 2 281.400 2.197 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O)C(C)C ZINC000773296205 646723692 /nfs/dbraw/zinc/72/36/92/646723692.db2.gz ZPKXBSSVOATSDD-OAHLLOKOSA-N 1 2 281.400 2.197 20 30 CEEDLO C=CC[C@H](CO)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000774702172 646881234 /nfs/dbraw/zinc/88/12/34/646881234.db2.gz BBEJVWVMTATEAX-NSHDSACASA-N 1 2 289.383 2.178 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000775797692 646994706 /nfs/dbraw/zinc/99/47/06/646994706.db2.gz FVYHGOLHMDMYII-SJORKVTESA-N 1 2 299.349 2.282 20 30 CEEDLO N#CC1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000865055489 647167760 /nfs/dbraw/zinc/16/77/60/647167760.db2.gz BELBRNGOEUJJBJ-UHFFFAOYSA-N 1 2 294.358 2.177 20 30 CEEDLO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C#N)c1O ZINC000866265001 647703670 /nfs/dbraw/zinc/70/36/70/647703670.db2.gz WHWZRSIUIQFROK-ZUZCIYMTSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H]1CCOC1 ZINC000866273553 647710881 /nfs/dbraw/zinc/71/08/81/647710881.db2.gz OTRKPPSONYLKQF-MDZLAQPJSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C#N)c1O ZINC000866277005 647713342 /nfs/dbraw/zinc/71/33/42/647713342.db2.gz GZBNGACPPDQACQ-QWHCGFSZSA-N 1 2 273.380 2.256 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(C#N)c1O ZINC000866284656 647716494 /nfs/dbraw/zinc/71/64/94/647716494.db2.gz RHAYJLCELYSEDG-BZPMIXESSA-N 1 2 274.364 2.466 20 30 CEEDLO COC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCOCC1 ZINC000866309559 647729908 /nfs/dbraw/zinc/72/99/08/647729908.db2.gz QDCWOFSBAKUBNG-GFCCVEGCSA-N 1 2 290.363 2.110 20 30 CEEDLO C[C@@H]([NH2+]CCOC1CCC1)c1cccc(C#N)c1O ZINC000866322431 647736462 /nfs/dbraw/zinc/73/64/62/647736462.db2.gz YXUJNMDUTWCFHO-LLVKDONJSA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(C#N)c1O ZINC000866344098 647746862 /nfs/dbraw/zinc/74/68/62/647746862.db2.gz SLQAHQUMCKVVRJ-DGCLKSJQSA-N 1 2 282.347 2.126 20 30 CEEDLO Cc1nnc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)s1 ZINC000866360748 647754369 /nfs/dbraw/zinc/75/43/69/647754369.db2.gz YVWUAGIMNZZLNM-VIFPVBQESA-N 1 2 288.376 2.317 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C#N)c1O ZINC000866367089 647759332 /nfs/dbraw/zinc/75/93/32/647759332.db2.gz WDEAJVPUUMATPZ-GWCFXTLKSA-N 1 2 268.320 2.256 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1nccn1C ZINC000866391740 647770512 /nfs/dbraw/zinc/77/05/12/647770512.db2.gz OQJKOJZCDJGPKK-WDEREUQCSA-N 1 2 270.336 2.409 20 30 CEEDLO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866396526 647772159 /nfs/dbraw/zinc/77/21/59/647772159.db2.gz YATKETIBOXHSSZ-GXFFZTMASA-N 1 2 286.331 2.176 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784015768 647787848 /nfs/dbraw/zinc/78/78/48/647787848.db2.gz QQRQEYQHDFPTKB-LBPRGKRZSA-N 1 2 279.413 2.241 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784015768 647787850 /nfs/dbraw/zinc/78/78/50/647787850.db2.gz QQRQEYQHDFPTKB-LBPRGKRZSA-N 1 2 279.413 2.241 20 30 CEEDLO C#CCCCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000866548657 647822720 /nfs/dbraw/zinc/82/27/20/647822720.db2.gz XHUMWIVNAUZHAA-UHFFFAOYSA-N 1 2 281.359 2.335 20 30 CEEDLO NC(=[NH+]OCCC1(O)CC1)c1ccc(Br)cc1 ZINC000785518853 647934435 /nfs/dbraw/zinc/93/44/35/647934435.db2.gz WHBLVLQQUSIZLI-UHFFFAOYSA-N 1 2 299.168 2.001 20 30 CEEDLO C=CCCN(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000786120756 647987192 /nfs/dbraw/zinc/98/71/92/647987192.db2.gz RTEZNMOMJBZPQB-UHFFFAOYSA-N 1 2 262.357 2.496 20 30 CEEDLO C#CC[N@@H+](CC#CC)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790288037 648401667 /nfs/dbraw/zinc/40/16/67/648401667.db2.gz XYZBFCBVSDGPKP-GOSISDBHSA-N 1 2 294.398 2.136 20 30 CEEDLO C#CC[N@H+](CC#CC)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790288037 648401669 /nfs/dbraw/zinc/40/16/69/648401669.db2.gz XYZBFCBVSDGPKP-GOSISDBHSA-N 1 2 294.398 2.136 20 30 CEEDLO Cn1cc[nH+]c1NN=C1CCc2c1cc(F)cc2F ZINC000790300476 648403868 /nfs/dbraw/zinc/40/38/68/648403868.db2.gz UHEZCJQBESUHQR-UHFFFAOYSA-N 1 2 262.263 2.461 20 30 CEEDLO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)cn3)cn2c1 ZINC000790586937 648433351 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CEEDLO CC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CCO1 ZINC001170213862 812339308 /nfs/dbraw/zinc/33/93/08/812339308.db2.gz KMQWWUIREIIRMP-UPJWGTAASA-N 1 2 267.394 2.218 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098195589 812369348 /nfs/dbraw/zinc/36/93/48/812369348.db2.gz ITWKFEZECNFVDM-YPMHNXCESA-N 1 2 276.384 2.304 20 30 CEEDLO C[C@H](Cc1ccc(F)cc1Cl)N1CC[NH2+]C[C@H]1C#N ZINC001172863983 815538410 /nfs/dbraw/zinc/53/84/10/815538410.db2.gz NDDXPLQBBLHESK-ZWNOBZJWSA-N 1 2 281.762 2.207 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC4(CC4)C3)cc2C1 ZINC001054281070 812559480 /nfs/dbraw/zinc/55/94/80/812559480.db2.gz AMPZUHYCJYQIAV-UHFFFAOYSA-N 1 2 294.398 2.442 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC4(CC4)C3)cc2C1 ZINC001054281070 812559486 /nfs/dbraw/zinc/55/94/86/812559486.db2.gz AMPZUHYCJYQIAV-UHFFFAOYSA-N 1 2 294.398 2.442 20 30 CEEDLO CC(C)(C)OC(=O)NC1(C)C[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254671006 812568765 /nfs/dbraw/zinc/56/87/65/812568765.db2.gz NVBOJASNJMTYKI-NWDGAFQWSA-N 1 2 279.384 2.278 20 30 CEEDLO Cn1cnc(C#N)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695194 815561290 /nfs/dbraw/zinc/56/12/90/815561290.db2.gz SGTHCADMPSTSOV-UHFFFAOYSA-N 1 2 278.319 2.280 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001051098036 812881493 /nfs/dbraw/zinc/88/14/93/812881493.db2.gz AMSXVMJMYMSLOI-INIZCTEOSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001051098036 812881502 /nfs/dbraw/zinc/88/15/02/812881502.db2.gz AMSXVMJMYMSLOI-INIZCTEOSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCSC1)[C@@H](C)CC ZINC001255270242 813030214 /nfs/dbraw/zinc/03/02/14/813030214.db2.gz XZDVWOXCNTYPBY-TUAOUCFPSA-N 1 2 257.399 2.225 20 30 CEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001133570274 813110166 /nfs/dbraw/zinc/11/01/66/813110166.db2.gz RULYNMYRCDXHMS-UHFFFAOYSA-N 1 2 289.379 2.114 20 30 CEEDLO CCOC(=O)Cc1ccc[nH+]c1NCC(C)(C)S ZINC001159266538 813334216 /nfs/dbraw/zinc/33/42/16/813334216.db2.gz IGPUFEKIKZHSAR-UHFFFAOYSA-N 1 2 268.382 2.308 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2=COCCC2)CC[C@H]1C ZINC001071373475 813381948 /nfs/dbraw/zinc/38/19/48/813381948.db2.gz JNJHCJACCCEBBN-OCCSQVGLSA-N 1 2 298.814 2.402 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)CC[C@H]1C ZINC001071373475 813381954 /nfs/dbraw/zinc/38/19/54/813381954.db2.gz JNJHCJACCCEBBN-OCCSQVGLSA-N 1 2 298.814 2.402 20 30 CEEDLO CC[C@H](C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001136270327 813659610 /nfs/dbraw/zinc/65/96/10/813659610.db2.gz PNWBAEWAXGPIEC-LLVKDONJSA-N 1 2 254.293 2.361 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001074312960 813822888 /nfs/dbraw/zinc/82/28/88/813822888.db2.gz VJXPCNPHPTYCSJ-HUUCEWRRSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001074312960 813822891 /nfs/dbraw/zinc/82/28/91/813822891.db2.gz VJXPCNPHPTYCSJ-HUUCEWRRSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001074312961 813823993 /nfs/dbraw/zinc/82/39/93/813823993.db2.gz VJXPCNPHPTYCSJ-LSDHHAIUSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001074312961 813824002 /nfs/dbraw/zinc/82/40/02/813824002.db2.gz VJXPCNPHPTYCSJ-LSDHHAIUSA-N 1 2 292.423 2.076 20 30 CEEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001074662783 813843325 /nfs/dbraw/zinc/84/33/25/813843325.db2.gz STDNWHQMXJCVOD-LPEHRKFASA-N 1 2 282.281 2.042 20 30 CEEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001074662783 813843337 /nfs/dbraw/zinc/84/33/37/813843337.db2.gz STDNWHQMXJCVOD-LPEHRKFASA-N 1 2 282.281 2.042 20 30 CEEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CCS ZINC001143986407 813915062 /nfs/dbraw/zinc/91/50/62/813915062.db2.gz KZHKPJTZARYUMI-UHFFFAOYSA-N 1 2 275.377 2.151 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001144163911 813966136 /nfs/dbraw/zinc/96/61/36/813966136.db2.gz ZZNYASTWPXFNMK-UHFFFAOYSA-N 1 2 295.342 2.313 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)nc1 ZINC001144163911 813966140 /nfs/dbraw/zinc/96/61/40/813966140.db2.gz ZZNYASTWPXFNMK-UHFFFAOYSA-N 1 2 295.342 2.313 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000754897008 814144445 /nfs/dbraw/zinc/14/44/45/814144445.db2.gz GFESMQRKBVYSEX-JTQLQIEISA-N 1 2 257.297 2.100 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2C)CC1 ZINC001148600152 814586104 /nfs/dbraw/zinc/58/61/04/814586104.db2.gz IQAOGSSOCARDGG-UHFFFAOYSA-N 1 2 280.318 2.217 20 30 CEEDLO C[C@@H](C#N)c1cccc(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001148616355 814596070 /nfs/dbraw/zinc/59/60/70/814596070.db2.gz WLKXYJCNZNGCQM-ZDUSSCGKSA-N 1 2 294.358 2.209 20 30 CEEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001148722013 814606906 /nfs/dbraw/zinc/60/69/06/814606906.db2.gz VJZUOZQBGMIRCG-UHFFFAOYSA-N 1 2 282.388 2.026 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc(C)sc1C)[C@@H]1CCCO1 ZINC001116650729 814873901 /nfs/dbraw/zinc/87/39/01/814873901.db2.gz DUTLLHKYFXGIOT-AAEUAGOBSA-N 1 2 250.367 2.030 20 30 CEEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001137594720 815649241 /nfs/dbraw/zinc/64/92/41/815649241.db2.gz NWCGQHLPIVCKKY-HUUCEWRRSA-N 1 2 294.420 2.469 20 30 CEEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001137594720 815649246 /nfs/dbraw/zinc/64/92/46/815649246.db2.gz NWCGQHLPIVCKKY-HUUCEWRRSA-N 1 2 294.420 2.469 20 30 CEEDLO CC(=O)Oc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001138044356 815721878 /nfs/dbraw/zinc/72/18/78/815721878.db2.gz TXAZFOSYIBFMPZ-CQSZACIVSA-N 1 2 258.321 2.347 20 30 CEEDLO CC(=O)Oc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001138044356 815721884 /nfs/dbraw/zinc/72/18/84/815721884.db2.gz TXAZFOSYIBFMPZ-CQSZACIVSA-N 1 2 258.321 2.347 20 30 CEEDLO C=CCCCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001138714124 815875975 /nfs/dbraw/zinc/87/59/75/815875975.db2.gz OIEYIAPBGBXMMC-CABCVRRESA-N 1 2 282.428 2.348 20 30 CEEDLO C=CCCCCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001138714124 815875984 /nfs/dbraw/zinc/87/59/84/815875984.db2.gz OIEYIAPBGBXMMC-CABCVRRESA-N 1 2 282.428 2.348 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(Cl)cnc2Cl)CC1 ZINC001139356488 816010417 /nfs/dbraw/zinc/01/04/17/816010417.db2.gz GOWQENKBPYWYKV-UHFFFAOYSA-N 1 2 284.190 2.139 20 30 CEEDLO N#C[C@@H]1C[C@H](F)CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361466 816012920 /nfs/dbraw/zinc/01/29/20/816012920.db2.gz QXYLROBNVAZXJE-ZFWWWQNUSA-N 1 2 270.311 2.308 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnc3)CC2)cc1F ZINC001139527145 816039506 /nfs/dbraw/zinc/03/95/06/816039506.db2.gz YPHISCCGSBWNRT-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001139646445 816072395 /nfs/dbraw/zinc/07/23/95/816072395.db2.gz SPIZFAGHGZQORM-BETUJISGSA-N 1 2 258.296 2.393 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001139646445 816072403 /nfs/dbraw/zinc/07/24/03/816072403.db2.gz SPIZFAGHGZQORM-BETUJISGSA-N 1 2 258.296 2.393 20 30 CEEDLO N#Cc1cccc2c(C[N@@H+]3CCOCC34CC4)c[nH]c21 ZINC001139707278 816091046 /nfs/dbraw/zinc/09/10/46/816091046.db2.gz VPTQZMZDBHFXQZ-UHFFFAOYSA-N 1 2 267.332 2.404 20 30 CEEDLO N#Cc1cccc2c(C[N@H+]3CCOCC34CC4)c[nH]c21 ZINC001139707278 816091048 /nfs/dbraw/zinc/09/10/48/816091048.db2.gz VPTQZMZDBHFXQZ-UHFFFAOYSA-N 1 2 267.332 2.404 20 30 CEEDLO C=CCN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001139724311 816095477 /nfs/dbraw/zinc/09/54/77/816095477.db2.gz NTYZTBOCBLXIHQ-UHFFFAOYSA-N 1 2 255.365 2.170 20 30 CEEDLO Cc1ccc(CN2CC([N@@H+]3CCOC(C)(C)C3)C2)cc1C#N ZINC001139726498 816097373 /nfs/dbraw/zinc/09/73/73/816097373.db2.gz SGMKOBMLNDRCTC-UHFFFAOYSA-N 1 2 299.418 2.162 20 30 CEEDLO Cc1ccc(CN2CC([N@H+]3CCOC(C)(C)C3)C2)cc1C#N ZINC001139726498 816097379 /nfs/dbraw/zinc/09/73/79/816097379.db2.gz SGMKOBMLNDRCTC-UHFFFAOYSA-N 1 2 299.418 2.162 20 30 CEEDLO Cc1ccc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)cc1C#N ZINC001139726498 816097385 /nfs/dbraw/zinc/09/73/85/816097385.db2.gz SGMKOBMLNDRCTC-UHFFFAOYSA-N 1 2 299.418 2.162 20 30 CEEDLO CN(C)c1ccc(Nc2ccc(O)cc2C#N)c[nH+]1 ZINC001175344764 816167983 /nfs/dbraw/zinc/16/79/83/816167983.db2.gz GFMZJKPOAMJUKV-UHFFFAOYSA-N 1 2 254.293 2.468 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(OC)cc32)C1 ZINC001140069507 816187046 /nfs/dbraw/zinc/18/70/46/816187046.db2.gz XGKYAEPVHJMNBS-GFCCVEGCSA-N 1 2 269.348 2.417 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2n[nH]c3ccc(OC)cc32)C1 ZINC001140069507 816187050 /nfs/dbraw/zinc/18/70/50/816187050.db2.gz XGKYAEPVHJMNBS-GFCCVEGCSA-N 1 2 269.348 2.417 20 30 CEEDLO C#Cc1nccnc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710178 816277843 /nfs/dbraw/zinc/27/78/43/816277843.db2.gz XHSNKYODEZUSDY-UHFFFAOYSA-N 1 2 279.225 2.198 20 30 CEEDLO Cc1noc(Nc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC001175857454 816298243 /nfs/dbraw/zinc/29/82/43/816298243.db2.gz ADMNMKNJNQBRLT-UHFFFAOYSA-N 1 2 298.346 2.431 20 30 CEEDLO COC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603334 816298613 /nfs/dbraw/zinc/29/86/13/816298613.db2.gz KBARBCMGYJCPCK-LBPRGKRZSA-N 1 2 250.729 2.432 20 30 CEEDLO COC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603334 816298618 /nfs/dbraw/zinc/29/86/18/816298618.db2.gz KBARBCMGYJCPCK-LBPRGKRZSA-N 1 2 250.729 2.432 20 30 CEEDLO Cc1ccncc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141033295 816452416 /nfs/dbraw/zinc/45/24/16/816452416.db2.gz IVWTTXKQKKGJET-ZDUSSCGKSA-N 1 2 260.362 2.164 20 30 CEEDLO Cc1ccncc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141033295 816452420 /nfs/dbraw/zinc/45/24/20/816452420.db2.gz IVWTTXKQKKGJET-ZDUSSCGKSA-N 1 2 260.362 2.164 20 30 CEEDLO C=CCOc1ccccc1[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001176836072 816482170 /nfs/dbraw/zinc/48/21/70/816482170.db2.gz APOXRSGNGYTNOG-LBPRGKRZSA-N 1 2 285.347 2.394 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001176917311 816498727 /nfs/dbraw/zinc/49/87/27/816498727.db2.gz GWQZSPHISBBTNK-LSDHHAIUSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001176917311 816498731 /nfs/dbraw/zinc/49/87/31/816498731.db2.gz GWQZSPHISBBTNK-LSDHHAIUSA-N 1 2 280.412 2.054 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001177018747 816507956 /nfs/dbraw/zinc/50/79/56/816507956.db2.gz GRJALMKGJAZUIG-HZPDHXFCSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001177018747 816507962 /nfs/dbraw/zinc/50/79/62/816507962.db2.gz GRJALMKGJAZUIG-HZPDHXFCSA-N 1 2 292.423 2.076 20 30 CEEDLO CN(CC(=O)Nc1ccc(F)c(CC#N)c1)c1cccc[nH+]1 ZINC001177413790 816558854 /nfs/dbraw/zinc/55/88/54/816558854.db2.gz VZPUMSAXUBWOBV-UHFFFAOYSA-N 1 2 298.321 2.362 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cccc4c3OCO4)CC[C@H]2S1 ZINC001141949604 816603097 /nfs/dbraw/zinc/60/30/97/816603097.db2.gz CNZVKYMYKOYHJB-CYBMUJFWSA-N 1 2 289.356 2.189 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cccc4c3OCO4)CC[C@H]2S1 ZINC001141949604 816603099 /nfs/dbraw/zinc/60/30/99/816603099.db2.gz CNZVKYMYKOYHJB-CYBMUJFWSA-N 1 2 289.356 2.189 20 30 CEEDLO 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/nfs/dbraw/zinc/31/83/71/345318371.db2.gz VJZLSUUDQZXHNF-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000592069829 345318372 /nfs/dbraw/zinc/31/83/72/345318372.db2.gz VJZLSUUDQZXHNF-CYBMUJFWSA-N 1 2 299.296 2.497 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(C2CC2)cc1 ZINC000591774315 345279791 /nfs/dbraw/zinc/27/97/91/345279791.db2.gz PVIXUHJPKDCHKV-MRXNPFEDSA-N 1 2 273.380 2.182 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(C2CC2)cc1 ZINC000591774315 345279795 /nfs/dbraw/zinc/27/97/95/345279795.db2.gz PVIXUHJPKDCHKV-MRXNPFEDSA-N 1 2 273.380 2.182 20 30 CEEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000592103130 345322464 /nfs/dbraw/zinc/32/24/64/345322464.db2.gz COPLXYRQEGOJIB-SECBINFHSA-N 1 2 256.309 2.409 20 30 CEEDLO N#Cc1cnn2cc(C[NH2+]C3(C(F)F)CCCC3)cnc12 ZINC000592513930 345363222 /nfs/dbraw/zinc/36/32/22/345363222.db2.gz YFEGODHVGOCUQG-UHFFFAOYSA-N 1 2 291.305 2.268 20 30 CEEDLO Cc1cc(F)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(F)c1 ZINC000592524522 345366149 /nfs/dbraw/zinc/36/61/49/345366149.db2.gz FVJLZVSIRJVRDU-AWEZNQCLSA-N 1 2 266.291 2.124 20 30 CEEDLO Cc1cc(F)c(C[N@H+]2CC[C@@](O)(CC#N)C2)c(F)c1 ZINC000592524522 345366150 /nfs/dbraw/zinc/36/61/50/345366150.db2.gz FVJLZVSIRJVRDU-AWEZNQCLSA-N 1 2 266.291 2.124 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000592122499 345325297 /nfs/dbraw/zinc/32/52/97/345325297.db2.gz KPGVZNGTNHBTDM-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000592122499 345325301 /nfs/dbraw/zinc/32/53/01/345325301.db2.gz KPGVZNGTNHBTDM-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO COc1cc(Cl)ccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152951 345330819 /nfs/dbraw/zinc/33/08/19/345330819.db2.gz GTJQZQBTFKDKMD-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1cc(Cl)ccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152951 345330822 /nfs/dbraw/zinc/33/08/22/345330822.db2.gz GTJQZQBTFKDKMD-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(C#N)c1 ZINC000592946190 345416063 /nfs/dbraw/zinc/41/60/63/345416063.db2.gz VKBJJXMENNKCGY-IUODEOHRSA-N 1 2 294.358 2.195 20 30 CEEDLO CCOC(=O)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593120629 345443876 /nfs/dbraw/zinc/44/38/76/345443876.db2.gz DBQAEELVJKGGJN-UHFFFAOYSA-N 1 2 258.321 2.217 20 30 CEEDLO CCOC(=O)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593120629 345443879 /nfs/dbraw/zinc/44/38/79/345443879.db2.gz DBQAEELVJKGGJN-UHFFFAOYSA-N 1 2 258.321 2.217 20 30 CEEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000593153398 345447477 /nfs/dbraw/zinc/44/74/77/345447477.db2.gz NJFJSHCQZJGJEB-ABAIWWIYSA-N 1 2 293.798 2.404 20 30 CEEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)CC(C)(C)C ZINC000593155229 345448076 /nfs/dbraw/zinc/44/80/76/345448076.db2.gz CLDDSBHBGJUAGA-IUODEOHRSA-N 1 2 267.417 2.409 20 30 CEEDLO C[C@H](CC(=O)N1CCC(CCC#N)CC1)n1cc[nH+]c1 ZINC000593753131 345533126 /nfs/dbraw/zinc/53/31/26/345533126.db2.gz PHSPVTVTPWHJGO-CYBMUJFWSA-N 1 2 274.368 2.377 20 30 CEEDLO CCn1ncnc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033713 345570127 /nfs/dbraw/zinc/57/01/27/345570127.db2.gz ZCTOGLBAJBLRFC-UHFFFAOYSA-N 1 2 281.363 2.339 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN3CCCC(F)(F)C3)n2c1 ZINC000593656362 345517130 /nfs/dbraw/zinc/51/71/30/345517130.db2.gz LEYWHUHAPDODTA-UHFFFAOYSA-N 1 2 276.290 2.437 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594247626 345603998 /nfs/dbraw/zinc/60/39/98/345603998.db2.gz AOUWDHFSIYILFF-LLVKDONJSA-N 1 2 298.346 2.497 20 30 CEEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594247626 345604001 /nfs/dbraw/zinc/60/40/01/345604001.db2.gz AOUWDHFSIYILFF-LLVKDONJSA-N 1 2 298.346 2.497 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594307273 345610787 /nfs/dbraw/zinc/61/07/87/345610787.db2.gz ONPQQNRWEZMOGX-LLVKDONJSA-N 1 2 282.347 2.085 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@](C)(C#N)C3)ccn12 ZINC000594339012 345613638 /nfs/dbraw/zinc/61/36/38/345613638.db2.gz JYGAEPJUJIOTKL-MRXNPFEDSA-N 1 2 282.347 2.409 20 30 CEEDLO Cc1[nH+]c2ccccc2n1Cc1cn(CCCC#N)nn1 ZINC000594650868 345666166 /nfs/dbraw/zinc/66/61/66/345666166.db2.gz ZSYMQICYMBGWFA-UHFFFAOYSA-N 1 2 280.335 2.288 20 30 CEEDLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc(C#N)c1 ZINC000594513844 345641604 /nfs/dbraw/zinc/64/16/04/345641604.db2.gz SWWQVASZBHHFOP-FZMZJTMJSA-N 1 2 297.362 2.379 20 30 CEEDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)sc1C ZINC000057875815 362599107 /nfs/dbraw/zinc/59/91/07/362599107.db2.gz FTOFJKMIFZGKDI-JTQLQIEISA-N 1 2 292.408 2.323 20 30 CEEDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)c2ncnn21 ZINC000594956538 345715605 /nfs/dbraw/zinc/71/56/05/345715605.db2.gz KAYSNDLYBZEQLQ-GZMMTYOYSA-N 1 2 259.338 2.007 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000595612640 345826812 /nfs/dbraw/zinc/82/68/12/345826812.db2.gz YZGYCYFLWDGCOL-LBPRGKRZSA-N 1 2 283.335 2.257 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000595612640 345826814 /nfs/dbraw/zinc/82/68/14/345826814.db2.gz YZGYCYFLWDGCOL-LBPRGKRZSA-N 1 2 283.335 2.257 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000595610292 345827008 /nfs/dbraw/zinc/82/70/08/345827008.db2.gz VSSQRRUFQBNMSZ-LLVKDONJSA-N 1 2 272.308 2.455 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000595610292 345827009 /nfs/dbraw/zinc/82/70/09/345827009.db2.gz VSSQRRUFQBNMSZ-LLVKDONJSA-N 1 2 272.308 2.455 20 30 CEEDLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000595615477 345827998 /nfs/dbraw/zinc/82/79/98/345827998.db2.gz HGVJVAATMYZBRY-GFCCVEGCSA-N 1 2 261.373 2.159 20 30 CEEDLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000595615477 345828003 /nfs/dbraw/zinc/82/80/03/345828003.db2.gz HGVJVAATMYZBRY-GFCCVEGCSA-N 1 2 261.373 2.159 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836338 345892398 /nfs/dbraw/zinc/89/23/98/345892398.db2.gz YAGVPPRVHATJQZ-KBXCAEBGSA-N 1 2 297.402 2.195 20 30 CEEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836338 345892399 /nfs/dbraw/zinc/89/23/99/345892399.db2.gz YAGVPPRVHATJQZ-KBXCAEBGSA-N 1 2 297.402 2.195 20 30 CEEDLO COC(=O)c1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842696 345896501 /nfs/dbraw/zinc/89/65/01/345896501.db2.gz GUKYJNPIXKLRCE-HNNXBMFYSA-N 1 2 258.321 2.209 20 30 CEEDLO COC(=O)c1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842696 345896505 /nfs/dbraw/zinc/89/65/05/345896505.db2.gz GUKYJNPIXKLRCE-HNNXBMFYSA-N 1 2 258.321 2.209 20 30 CEEDLO CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@H](C)C#N ZINC000595813359 345882828 /nfs/dbraw/zinc/88/28/28/345882828.db2.gz SYHWHERBELUGED-CYBMUJFWSA-N 1 2 271.364 2.200 20 30 CEEDLO CC[N@@H+](CCC(=O)N1CCc2ccccc21)[C@H](C)C#N ZINC000595813359 345882829 /nfs/dbraw/zinc/88/28/29/345882829.db2.gz SYHWHERBELUGED-CYBMUJFWSA-N 1 2 271.364 2.200 20 30 CEEDLO C[C@]1(C(F)F)C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595915378 345912763 /nfs/dbraw/zinc/91/27/63/345912763.db2.gz IUVURSGENXFCRL-OAHLLOKOSA-N 1 2 296.317 2.293 20 30 CEEDLO C[C@]1(C(F)F)C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595915378 345912766 /nfs/dbraw/zinc/91/27/66/345912766.db2.gz IUVURSGENXFCRL-OAHLLOKOSA-N 1 2 296.317 2.293 20 30 CEEDLO Cc1cccc(CCCNc2c(C#N)cnn2C)[nH+]1 ZINC000596234162 345975690 /nfs/dbraw/zinc/97/56/90/345975690.db2.gz OPKFAKQROGGKCX-UHFFFAOYSA-N 1 2 255.325 2.040 20 30 CEEDLO C[C@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)c2[nH+]ccn21 ZINC000596256576 345982401 /nfs/dbraw/zinc/98/24/01/345982401.db2.gz CSAZXVQYFIEQQW-BQBZGAKWSA-N 1 2 279.756 2.404 20 30 CEEDLO N#CC[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000596330864 346001815 /nfs/dbraw/zinc/00/18/15/346001815.db2.gz ORNMBASWRGHJJP-ZDUSSCGKSA-N 1 2 271.368 2.429 20 30 CEEDLO N#CC[C@@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000596330864 346001816 /nfs/dbraw/zinc/00/18/16/346001816.db2.gz ORNMBASWRGHJJP-ZDUSSCGKSA-N 1 2 271.368 2.429 20 30 CEEDLO N#CC[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000596330862 346001819 /nfs/dbraw/zinc/00/18/19/346001819.db2.gz ORNMBASWRGHJJP-CYBMUJFWSA-N 1 2 271.368 2.429 20 30 CEEDLO N#CC[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000596330862 346001820 /nfs/dbraw/zinc/00/18/20/346001820.db2.gz ORNMBASWRGHJJP-CYBMUJFWSA-N 1 2 271.368 2.429 20 30 CEEDLO Cc1ccc(Cc2noc(CC3(C#N)CCOCC3)n2)c[nH+]1 ZINC000596585413 346060331 /nfs/dbraw/zinc/06/03/31/346060331.db2.gz IXKMRXPSKKQWTL-UHFFFAOYSA-N 1 2 298.346 2.227 20 30 CEEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000596710027 346078137 /nfs/dbraw/zinc/07/81/37/346078137.db2.gz JGLVAYRBSUPEMT-IAQYHMDHSA-N 1 2 298.321 2.035 20 30 CEEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000596710027 346078138 /nfs/dbraw/zinc/07/81/38/346078138.db2.gz JGLVAYRBSUPEMT-IAQYHMDHSA-N 1 2 298.321 2.035 20 30 CEEDLO C[C@H](CC#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000596924613 346106245 /nfs/dbraw/zinc/10/62/45/346106245.db2.gz UZOIQGNESXFMKR-LLVKDONJSA-N 1 2 286.310 2.177 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597160305 346138832 /nfs/dbraw/zinc/13/88/32/346138832.db2.gz DHIPFYIOMRFMST-GFCCVEGCSA-N 1 2 288.395 2.303 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597160305 346138833 /nfs/dbraw/zinc/13/88/33/346138833.db2.gz DHIPFYIOMRFMST-GFCCVEGCSA-N 1 2 288.395 2.303 20 30 CEEDLO N#CCC[N@@H+](Cc1ccnn1CC1CC1)CC1CC1 ZINC000596997136 346114073 /nfs/dbraw/zinc/11/40/73/346114073.db2.gz YYZMQFVMUBSWDS-UHFFFAOYSA-N 1 2 258.369 2.419 20 30 CEEDLO N#CCC[N@H+](Cc1ccnn1CC1CC1)CC1CC1 ZINC000596997136 346114075 /nfs/dbraw/zinc/11/40/75/346114075.db2.gz YYZMQFVMUBSWDS-UHFFFAOYSA-N 1 2 258.369 2.419 20 30 CEEDLO N#CCN1CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000596996837 346114167 /nfs/dbraw/zinc/11/41/67/346114167.db2.gz XNFBUUMKXVVGLZ-UHFFFAOYSA-N 1 2 289.354 2.008 20 30 CEEDLO CC[C@@H](C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597040680 346119134 /nfs/dbraw/zinc/11/91/34/346119134.db2.gz XTDZERLZPUIVSF-KBPBESRZSA-N 1 2 282.347 2.350 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000597086296 346127061 /nfs/dbraw/zinc/12/70/61/346127061.db2.gz KKTSMNCWVSDVHA-QMMMGPOBSA-N 1 2 260.263 2.221 20 30 CEEDLO Cc1cn2ccc(NC(=O)N3CC[C@@](F)(C#N)C3)cc2[nH+]1 ZINC000597130549 346132452 /nfs/dbraw/zinc/13/24/52/346132452.db2.gz UAVIRLSXARSDOY-CQSZACIVSA-N 1 2 287.298 2.112 20 30 CEEDLO N#CC1(c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)cc2)CC1 ZINC000597132678 346133237 /nfs/dbraw/zinc/13/32/37/346133237.db2.gz TWKDFHFOKXDGGY-GOSISDBHSA-N 1 2 298.386 2.233 20 30 CEEDLO N#CC1(c2ccc(C[N@H+]3CCOC[C@]34CCOC4)cc2)CC1 ZINC000597132678 346133241 /nfs/dbraw/zinc/13/32/41/346133241.db2.gz TWKDFHFOKXDGGY-GOSISDBHSA-N 1 2 298.386 2.233 20 30 CEEDLO C[C@H](CC#N)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000597312244 346170012 /nfs/dbraw/zinc/17/00/12/346170012.db2.gz LAGAVYXCCKGQTL-CQSZACIVSA-N 1 2 296.374 2.440 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597415462 346183174 /nfs/dbraw/zinc/18/31/74/346183174.db2.gz MIPWMXXZQGTTPH-CHWSQXEVSA-N 1 2 280.331 2.342 20 30 CEEDLO C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1[nH+]ccn1C ZINC000598464384 346361198 /nfs/dbraw/zinc/36/11/98/346361198.db2.gz JLVSABIGOAORQB-ZFWWWQNUSA-N 1 2 296.374 2.370 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1cccc(C(F)F)c1C#N ZINC000599160901 346469974 /nfs/dbraw/zinc/46/99/74/346469974.db2.gz LEMRZARGERKKEX-SNVBAGLBSA-N 1 2 281.306 2.238 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1cccc(C(F)F)c1C#N ZINC000599160901 346469975 /nfs/dbraw/zinc/46/99/75/346469975.db2.gz LEMRZARGERKKEX-SNVBAGLBSA-N 1 2 281.306 2.238 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599381815 346510489 /nfs/dbraw/zinc/51/04/89/346510489.db2.gz CEEGEVAWJUMMSE-QGZVFWFLSA-N 1 2 285.391 2.357 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599381815 346510491 /nfs/dbraw/zinc/51/04/91/346510491.db2.gz CEEGEVAWJUMMSE-QGZVFWFLSA-N 1 2 285.391 2.357 20 30 CEEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599429389 346517505 /nfs/dbraw/zinc/51/75/05/346517505.db2.gz NXDZHHJTAQDQTH-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599429389 346517508 /nfs/dbraw/zinc/51/75/08/346517508.db2.gz NXDZHHJTAQDQTH-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678185 346562768 /nfs/dbraw/zinc/56/27/68/346562768.db2.gz JEUIGYDSUOJXLB-GXTWGEPZSA-N 1 2 293.338 2.351 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000599678185 346562771 /nfs/dbraw/zinc/56/27/71/346562771.db2.gz JEUIGYDSUOJXLB-GXTWGEPZSA-N 1 2 293.338 2.351 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000599504579 346529802 /nfs/dbraw/zinc/52/98/02/346529802.db2.gz CMWCAYFFPPOVRD-OAHLLOKOSA-N 1 2 293.338 2.397 20 30 CEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552756 346536144 /nfs/dbraw/zinc/53/61/44/346536144.db2.gz ODFJUNZWNKWGGI-ZDUSSCGKSA-N 1 2 293.317 2.206 20 30 CEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552756 346536148 /nfs/dbraw/zinc/53/61/48/346536148.db2.gz ODFJUNZWNKWGGI-ZDUSSCGKSA-N 1 2 293.317 2.206 20 30 CEEDLO Cc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ccc1C#N ZINC000599635604 346550516 /nfs/dbraw/zinc/55/05/16/346550516.db2.gz TWUIWPYNFNFLOX-OAHLLOKOSA-N 1 2 262.328 2.427 20 30 CEEDLO Cc1cc(C[N@H+]2CCO[C@H](CCF)C2)ccc1C#N ZINC000599635604 346550518 /nfs/dbraw/zinc/55/05/18/346550518.db2.gz TWUIWPYNFNFLOX-OAHLLOKOSA-N 1 2 262.328 2.427 20 30 CEEDLO N#CC1(C[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CCC1 ZINC000600164987 346611259 /nfs/dbraw/zinc/61/12/59/346611259.db2.gz NCGFZXVZZIAZIO-UHFFFAOYSA-N 1 2 285.326 2.190 20 30 CEEDLO COCc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)no1 ZINC000600212544 346623920 /nfs/dbraw/zinc/62/39/20/346623920.db2.gz GCWCXDRLEXSBTK-UHFFFAOYSA-N 1 2 297.358 2.445 20 30 CEEDLO COCc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)no1 ZINC000600212544 346623923 /nfs/dbraw/zinc/62/39/23/346623923.db2.gz GCWCXDRLEXSBTK-UHFFFAOYSA-N 1 2 297.358 2.445 20 30 CEEDLO N#CCc1cccc2c1CCN(Cc1c[nH+]c3n1CCC3)C2 ZINC000600212792 346624823 /nfs/dbraw/zinc/62/48/23/346624823.db2.gz JVDLSZZPHYPKAU-UHFFFAOYSA-N 1 2 292.386 2.454 20 30 CEEDLO N#CC1(C[C@@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000600743821 346682776 /nfs/dbraw/zinc/68/27/76/346682776.db2.gz WEUBLSHOJWYNCG-OAHLLOKOSA-N 1 2 282.347 2.339 20 30 CEEDLO N#Cc1ccc2c(c1)CN(Cc1cc3c(c[nH+]1)OCCO3)C2 ZINC000602710559 347164034 /nfs/dbraw/zinc/16/40/34/347164034.db2.gz NKNUEMAWOLUTGU-UHFFFAOYSA-N 1 2 293.326 2.240 20 30 CEEDLO Cc1nc(CN2CC[NH+](CC3(CC#N)CC3)CC2)oc1C ZINC000602773166 347192622 /nfs/dbraw/zinc/19/26/22/347192622.db2.gz RFSWIQGDEVCFBI-UHFFFAOYSA-N 1 2 288.395 2.103 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cccc2c1CCOC2 ZINC000602777616 347194278 /nfs/dbraw/zinc/19/42/78/347194278.db2.gz JHJHXJCOJPIBDP-UHFFFAOYSA-N 1 2 274.364 2.121 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cccc2c1CCOC2 ZINC000602777616 347194279 /nfs/dbraw/zinc/19/42/79/347194279.db2.gz JHJHXJCOJPIBDP-UHFFFAOYSA-N 1 2 274.364 2.121 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000602860428 347227971 /nfs/dbraw/zinc/22/79/71/347227971.db2.gz BQLDYQWACGBFOW-MCIONIFRSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000602860558 347228333 /nfs/dbraw/zinc/22/83/33/347228333.db2.gz BZWBCXUIHSBBCR-OLZOCXBDSA-N 1 2 263.385 2.273 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000602869152 347232065 /nfs/dbraw/zinc/23/20/65/347232065.db2.gz MTEQRKIWURUUBS-SNVBAGLBSA-N 1 2 288.376 2.151 20 30 CEEDLO COC(=O)[C@@]1([NH2+]CC2(CC#N)CC2)CC[C@@H](C)CC1 ZINC000602883502 347238030 /nfs/dbraw/zinc/23/80/30/347238030.db2.gz IULVXTTZDYMPKH-NNUKFRKNSA-N 1 2 264.369 2.392 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889835 347239446 /nfs/dbraw/zinc/23/94/46/347239446.db2.gz DYQCONBQWKSSCG-PBHICJAKSA-N 1 2 287.407 2.008 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602903534 347242522 /nfs/dbraw/zinc/24/25/22/347242522.db2.gz RDXORXUYYDIZNW-IUODEOHRSA-N 1 2 264.369 2.342 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H](C1CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000602903534 347242525 /nfs/dbraw/zinc/24/25/25/347242525.db2.gz RDXORXUYYDIZNW-IUODEOHRSA-N 1 2 264.369 2.342 20 30 CEEDLO CN1c2ccccc2C[N@H+](CC2(CC#N)CC2)CC1=O ZINC000602915688 347245378 /nfs/dbraw/zinc/24/53/78/347245378.db2.gz IZFBFAZHXMRDQB-UHFFFAOYSA-N 1 2 269.348 2.159 20 30 CEEDLO CN1c2ccccc2C[N@@H+](CC2(CC#N)CC2)CC1=O ZINC000602915688 347245381 /nfs/dbraw/zinc/24/53/81/347245381.db2.gz IZFBFAZHXMRDQB-UHFFFAOYSA-N 1 2 269.348 2.159 20 30 CEEDLO N#CC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1 ZINC000603142027 347296546 /nfs/dbraw/zinc/29/65/46/347296546.db2.gz AEVDTDYYHJNINF-QWHCGFSZSA-N 1 2 298.308 2.414 20 30 CEEDLO C[N@H+](CC(=O)NCC1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602974130 347260280 /nfs/dbraw/zinc/26/02/80/347260280.db2.gz KBCXSGHWAQECLZ-GJZGRUSLSA-N 1 2 277.412 2.307 20 30 CEEDLO C[N@@H+](CC(=O)NCC1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602974130 347260284 /nfs/dbraw/zinc/26/02/84/347260284.db2.gz KBCXSGHWAQECLZ-GJZGRUSLSA-N 1 2 277.412 2.307 20 30 CEEDLO C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@H]1CCC[C@H]1C#N ZINC000602974758 347261483 /nfs/dbraw/zinc/26/14/83/347261483.db2.gz TUONUWIBLGFVTE-RDJZCZTQSA-N 1 2 297.402 2.195 20 30 CEEDLO C[N@@H+](CC(=O)N1CCc2ccccc2C1)[C@H]1CCC[C@H]1C#N ZINC000602974758 347261484 /nfs/dbraw/zinc/26/14/84/347261484.db2.gz TUONUWIBLGFVTE-RDJZCZTQSA-N 1 2 297.402 2.195 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976523 347262209 /nfs/dbraw/zinc/26/22/09/347262209.db2.gz QQXCTQOXFKWFLQ-RDBSUJKOSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976523 347262212 /nfs/dbraw/zinc/26/22/12/347262212.db2.gz QQXCTQOXFKWFLQ-RDBSUJKOSA-N 1 2 263.385 2.011 20 30 CEEDLO Cc1ccsc1CNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978960 347263273 /nfs/dbraw/zinc/26/32/73/347263273.db2.gz ZHOHOEHJRKJJJS-OLZOCXBDSA-N 1 2 291.420 2.297 20 30 CEEDLO Cc1ccsc1CNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978960 347263277 /nfs/dbraw/zinc/26/32/77/347263277.db2.gz ZHOHOEHJRKJJJS-OLZOCXBDSA-N 1 2 291.420 2.297 20 30 CEEDLO C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CCC[C@H]1C#N ZINC000602981451 347264788 /nfs/dbraw/zinc/26/47/88/347264788.db2.gz DIZHZGFTDFXELD-WCQYABFASA-N 1 2 272.352 2.184 20 30 CEEDLO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H]1CCC[C@H]1C#N ZINC000602981451 347264790 /nfs/dbraw/zinc/26/47/90/347264790.db2.gz DIZHZGFTDFXELD-WCQYABFASA-N 1 2 272.352 2.184 20 30 CEEDLO Cc1cc(N2CC[C@H](N(C)c3cccc(C#N)c3)C2)nc[nH+]1 ZINC000603406349 347361734 /nfs/dbraw/zinc/36/17/34/347361734.db2.gz SPHORCFBNGNHBL-INIZCTEOSA-N 1 2 293.374 2.372 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000129659896 365884863 /nfs/dbraw/zinc/88/48/63/365884863.db2.gz APZAXILKNSVOBR-JTQLQIEISA-N 1 2 290.754 2.082 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000129659896 365884871 /nfs/dbraw/zinc/88/48/71/365884871.db2.gz APZAXILKNSVOBR-JTQLQIEISA-N 1 2 290.754 2.082 20 30 CEEDLO C=CCSCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610025220 347658444 /nfs/dbraw/zinc/65/84/44/347658444.db2.gz BZXIZQXZMHAOGL-UHFFFAOYSA-N 1 2 276.365 2.375 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000610856426 347718151 /nfs/dbraw/zinc/71/81/51/347718151.db2.gz KCVNJLCYQMTCHP-MRVPVSSYSA-N 1 2 252.701 2.460 20 30 CEEDLO N#CC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000611429125 347778055 /nfs/dbraw/zinc/77/80/55/347778055.db2.gz KACUFAQXMZSCTJ-UHFFFAOYSA-N 1 2 286.335 2.021 20 30 CEEDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)CC1(C#N)CC1 ZINC000611430598 347778189 /nfs/dbraw/zinc/77/81/89/347778189.db2.gz KBQNYRSJMYFFMD-UHFFFAOYSA-N 1 2 283.375 2.314 20 30 CEEDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)CC1(C#N)CC1 ZINC000611430598 347778192 /nfs/dbraw/zinc/77/81/92/347778192.db2.gz KBQNYRSJMYFFMD-UHFFFAOYSA-N 1 2 283.375 2.314 20 30 CEEDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000610987403 347727414 /nfs/dbraw/zinc/72/74/14/347727414.db2.gz NTUXITBWNJPPPS-DOMZBBRYSA-N 1 2 294.358 2.195 20 30 CEEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610991248 347728410 /nfs/dbraw/zinc/72/84/10/347728410.db2.gz GVGYMATWLLCPCX-GFCCVEGCSA-N 1 2 252.321 2.332 20 30 CEEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610991248 347728414 /nfs/dbraw/zinc/72/84/14/347728414.db2.gz GVGYMATWLLCPCX-GFCCVEGCSA-N 1 2 252.321 2.332 20 30 CEEDLO C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1F ZINC000611502634 347785997 /nfs/dbraw/zinc/78/59/97/347785997.db2.gz WOPBWVHVEZWVPK-FZMZJTMJSA-N 1 2 275.327 2.177 20 30 CEEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1F ZINC000611502634 347785998 /nfs/dbraw/zinc/78/59/98/347785998.db2.gz WOPBWVHVEZWVPK-FZMZJTMJSA-N 1 2 275.327 2.177 20 30 CEEDLO CNC(=O)c1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161942 347851199 /nfs/dbraw/zinc/85/11/99/347851199.db2.gz HHHCJSDFBZOQTJ-MRXNPFEDSA-N 1 2 271.364 2.172 20 30 CEEDLO CNC(=O)c1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161942 347851202 /nfs/dbraw/zinc/85/12/02/347851202.db2.gz HHHCJSDFBZOQTJ-MRXNPFEDSA-N 1 2 271.364 2.172 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000612159516 347851261 /nfs/dbraw/zinc/85/12/61/347851261.db2.gz VWPVUAJAKAQMNC-DNVCBOLYSA-N 1 2 276.405 2.420 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000612159516 347851263 /nfs/dbraw/zinc/85/12/63/347851263.db2.gz VWPVUAJAKAQMNC-DNVCBOLYSA-N 1 2 276.405 2.420 20 30 CEEDLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163725 347851794 /nfs/dbraw/zinc/85/17/94/347851794.db2.gz ZMKGSCJUVXRVAW-GOEBONIOSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163725 347851796 /nfs/dbraw/zinc/85/17/96/347851796.db2.gz ZMKGSCJUVXRVAW-GOEBONIOSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163674 347851799 /nfs/dbraw/zinc/85/17/99/347851799.db2.gz VVWZXNFJKSYJNC-YJBOKZPZSA-N 1 2 299.418 2.359 20 30 CEEDLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163674 347851800 /nfs/dbraw/zinc/85/18/00/347851800.db2.gz VVWZXNFJKSYJNC-YJBOKZPZSA-N 1 2 299.418 2.359 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000612596440 347906068 /nfs/dbraw/zinc/90/60/68/347906068.db2.gz XFMPZPIXFQAMHB-AWEZNQCLSA-N 1 2 295.390 2.160 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613330134 348026823 /nfs/dbraw/zinc/02/68/23/348026823.db2.gz MXGNVOYLWCMKQS-HUUCEWRRSA-N 1 2 299.374 2.374 20 30 CEEDLO C=CCCCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128835285 187392886 /nfs/dbraw/zinc/39/28/86/187392886.db2.gz HPEONOZKPJCFAB-CQSZACIVSA-N 1 2 288.395 2.268 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616864662 348581266 /nfs/dbraw/zinc/58/12/66/348581266.db2.gz IKILRDXYBYJSMZ-STQMWFEESA-N 1 2 293.411 2.198 20 30 CEEDLO CC#CCCCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617484593 348716027 /nfs/dbraw/zinc/71/60/27/348716027.db2.gz CERHLVWGQZOGTC-UHFFFAOYSA-N 1 2 285.391 2.492 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)c1cc(C#N)nc2ccccc21 ZINC000617451053 348709520 /nfs/dbraw/zinc/70/95/20/348709520.db2.gz QDVRAOGRXVEQJO-UHFFFAOYSA-N 1 2 263.304 2.466 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000617777265 348788622 /nfs/dbraw/zinc/78/86/22/348788622.db2.gz LHWOYLNUKQFHIY-QWHCGFSZSA-N 1 2 261.369 2.403 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000617777265 348788625 /nfs/dbraw/zinc/78/86/25/348788625.db2.gz LHWOYLNUKQFHIY-QWHCGFSZSA-N 1 2 261.369 2.403 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000617779267 348789196 /nfs/dbraw/zinc/78/91/96/348789196.db2.gz XUTHVJHOYKKHAU-QWHCGFSZSA-N 1 2 273.380 2.329 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000617779267 348789199 /nfs/dbraw/zinc/78/91/99/348789199.db2.gz XUTHVJHOYKKHAU-QWHCGFSZSA-N 1 2 273.380 2.329 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000617895529 348813390 /nfs/dbraw/zinc/81/33/90/348813390.db2.gz 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ZINC000433292420 377785360 /nfs/dbraw/zinc/78/53/60/377785360.db2.gz ZSWBVTJAMQKFCR-LLVKDONJSA-N 1 2 279.409 2.407 20 30 CEEDLO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1cccs1 ZINC000433292420 377785365 /nfs/dbraw/zinc/78/53/65/377785365.db2.gz ZSWBVTJAMQKFCR-LLVKDONJSA-N 1 2 279.409 2.407 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000567181046 377812894 /nfs/dbraw/zinc/81/28/94/377812894.db2.gz LYEREFJNBYRIJX-UHFFFAOYSA-N 1 2 255.277 2.146 20 30 CEEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CC(C)(C)C#N ZINC000433313802 377787499 /nfs/dbraw/zinc/78/74/99/377787499.db2.gz RVLYVRZTVHYHAQ-HZSPNIEDSA-N 1 2 279.428 2.361 20 30 CEEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CC(C)(C)C#N ZINC000433313802 377787503 /nfs/dbraw/zinc/78/75/03/377787503.db2.gz RVLYVRZTVHYHAQ-HZSPNIEDSA-N 1 2 279.428 2.361 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433304599 377788042 /nfs/dbraw/zinc/78/80/42/377788042.db2.gz NKQBRLOBPAULPL-CYBMUJFWSA-N 1 2 273.380 2.173 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433304599 377788047 /nfs/dbraw/zinc/78/80/47/377788047.db2.gz NKQBRLOBPAULPL-CYBMUJFWSA-N 1 2 273.380 2.173 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433316652 377788889 /nfs/dbraw/zinc/78/88/89/377788889.db2.gz AWGYBKMYYDTZFY-LBPRGKRZSA-N 1 2 253.390 2.163 20 30 CEEDLO CCCCCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433316652 377788900 /nfs/dbraw/zinc/78/89/00/377788900.db2.gz AWGYBKMYYDTZFY-LBPRGKRZSA-N 1 2 253.390 2.163 20 30 CEEDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000294096837 377902398 /nfs/dbraw/zinc/90/23/98/377902398.db2.gz ZZBKBMWNLZMZIW-AWEZNQCLSA-N 1 2 294.301 2.030 20 30 CEEDLO CC#CCN(C)C(=O)Cn1c2ccccc2[nH+]c1CC ZINC000294693374 378012897 /nfs/dbraw/zinc/01/28/97/378012897.db2.gz WWVPAKZROLCKKW-UHFFFAOYSA-N 1 2 269.348 2.080 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)ccc1F ZINC000444741279 378080273 /nfs/dbraw/zinc/08/02/73/378080273.db2.gz DFMFAWNJHGACIL-GFCCVEGCSA-N 1 2 264.344 2.257 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1F ZINC000444741279 378080278 /nfs/dbraw/zinc/08/02/78/378080278.db2.gz DFMFAWNJHGACIL-GFCCVEGCSA-N 1 2 264.344 2.257 20 30 CEEDLO C[C@H](C[NH+]1CCN(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000449021172 378196300 /nfs/dbraw/zinc/19/63/00/378196300.db2.gz YHUAOMMOUSLMIU-GFCCVEGCSA-N 1 2 279.334 2.209 20 30 CEEDLO C#CC[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)C1CC1 ZINC000295624339 378241527 /nfs/dbraw/zinc/24/15/27/378241527.db2.gz AOXOOBOJABFBQY-UHFFFAOYSA-N 1 2 268.320 2.038 20 30 CEEDLO C#CC[N@H+](Cc1nc(-c2cc(C)ccn2)no1)C1CC1 ZINC000295624339 378241535 /nfs/dbraw/zinc/24/15/35/378241535.db2.gz AOXOOBOJABFBQY-UHFFFAOYSA-N 1 2 268.320 2.038 20 30 CEEDLO C=C(C)C[N@@H+](CC)Cc1nc(C(=O)OC)cs1 ZINC000450240352 378322461 /nfs/dbraw/zinc/32/24/61/378322461.db2.gz CWRSXNZCXVUHMS-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C=C(C)C[N@H+](CC)Cc1nc(C(=O)OC)cs1 ZINC000450240352 378322468 /nfs/dbraw/zinc/32/24/68/378322468.db2.gz CWRSXNZCXVUHMS-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO CN(C)c1nc(NCCCCC#N)[nH+]c2ccccc21 ZINC000450312273 378350877 /nfs/dbraw/zinc/35/08/77/378350877.db2.gz GTRSUKSTKHJFRT-UHFFFAOYSA-N 1 2 269.352 2.223 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCc1[nH+]ccn1CC ZINC000296765262 378640648 /nfs/dbraw/zinc/64/06/48/378640648.db2.gz HDHHAHUSBCTHOH-LLVKDONJSA-N 1 2 250.346 2.057 20 30 CEEDLO C#C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)C(C)C ZINC000297083179 378664572 /nfs/dbraw/zinc/66/45/72/378664572.db2.gz XBOWMBBRWNTUJU-OLZOCXBDSA-N 1 2 288.395 2.170 20 30 CEEDLO Cc1cc(C)c(C#N)c(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000266287773 190245812 /nfs/dbraw/zinc/24/58/12/190245812.db2.gz VYVFQRQISSJIBL-AWEZNQCLSA-N 1 2 268.364 2.021 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000505604566 379085299 /nfs/dbraw/zinc/08/52/99/379085299.db2.gz BNQFNKCYEAQZPZ-KRWDZBQOSA-N 1 2 296.374 2.487 20 30 CEEDLO CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(C)C ZINC000515851896 379244456 /nfs/dbraw/zinc/24/44/56/379244456.db2.gz KNUYQOVRSZKFSC-TZMCWYRMSA-N 1 2 253.390 2.019 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000515851742 379245417 /nfs/dbraw/zinc/24/54/17/379245417.db2.gz RQIDOJUCUFGNFT-CQSZACIVSA-N 1 2 299.374 2.296 20 30 CEEDLO N#Cc1cccc(C#N)c1NCCCn1cc[nH+]c1 ZINC000302394217 379365748 /nfs/dbraw/zinc/36/57/48/379365748.db2.gz CMDXRBHCAREWBS-UHFFFAOYSA-N 1 2 251.293 2.129 20 30 CEEDLO C=CCOCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525211424 379654116 /nfs/dbraw/zinc/65/41/16/379654116.db2.gz QCANEEDTJOVXEG-UHFFFAOYSA-N 1 2 259.309 2.023 20 30 CEEDLO C[C@@](CO)([NH2+]Cc1ccccc1C#N)c1cccc(O)c1 ZINC000347725313 218335382 /nfs/dbraw/zinc/33/53/82/218335382.db2.gz IZDFWVWCWOZIII-KRWDZBQOSA-N 1 2 282.343 2.261 20 30 CEEDLO CCOC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000528724941 380065388 /nfs/dbraw/zinc/06/53/88/380065388.db2.gz ZSTSJTBGHVAPTJ-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO CCOC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000528724941 380065393 /nfs/dbraw/zinc/06/53/93/380065393.db2.gz ZSTSJTBGHVAPTJ-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO COCc1ccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000529206172 380170520 /nfs/dbraw/zinc/17/05/20/380170520.db2.gz AVTGPRNESLKOMY-UHFFFAOYSA-N 1 2 299.334 2.092 20 30 CEEDLO COCc1ccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000529206172 380170532 /nfs/dbraw/zinc/17/05/32/380170532.db2.gz AVTGPRNESLKOMY-UHFFFAOYSA-N 1 2 299.334 2.092 20 30 CEEDLO CC(C)N(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000538710741 380245809 /nfs/dbraw/zinc/24/58/09/380245809.db2.gz FCIZSCSBDWRVND-UHFFFAOYSA-N 1 2 283.335 2.032 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cnc(N2CCCC2)nc1)C1CC1 ZINC000536663624 380231228 /nfs/dbraw/zinc/23/12/28/380231228.db2.gz QFXDSKFPFRRVSS-CYBMUJFWSA-N 1 2 285.395 2.201 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cnc(N2CCCC2)nc1)C1CC1 ZINC000536663624 380231230 /nfs/dbraw/zinc/23/12/30/380231230.db2.gz QFXDSKFPFRRVSS-CYBMUJFWSA-N 1 2 285.395 2.201 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(CC#N)CC1 ZINC000542878365 380320331 /nfs/dbraw/zinc/32/03/31/380320331.db2.gz GXMDPSKVYJFJDX-JTQLQIEISA-N 1 2 278.381 2.096 20 30 CEEDLO Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)c(C)c[nH+]1 ZINC000541882681 380284606 /nfs/dbraw/zinc/28/46/06/380284606.db2.gz AUNFAPUCZNNVHD-UHFFFAOYSA-N 1 2 272.352 2.278 20 30 CEEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000541922209 380289829 /nfs/dbraw/zinc/28/98/29/380289829.db2.gz QWNVSAJBZIIQLI-UHFFFAOYSA-N 1 2 292.404 2.216 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000491774929 380348621 /nfs/dbraw/zinc/34/86/21/380348621.db2.gz CVPBXZUHDAXZDR-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000491774929 380348627 /nfs/dbraw/zinc/34/86/27/380348627.db2.gz CVPBXZUHDAXZDR-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000334435982 380408756 /nfs/dbraw/zinc/40/87/56/380408756.db2.gz GGWBKVDRDBEVAP-CYBMUJFWSA-N 1 2 266.304 2.259 20 30 CEEDLO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC(=O)N1C ZINC000334556539 380585826 /nfs/dbraw/zinc/58/58/26/380585826.db2.gz DBUIPOJZXXQEBP-CYBMUJFWSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC(=O)N1C ZINC000334556539 380585830 /nfs/dbraw/zinc/58/58/30/380585830.db2.gz DBUIPOJZXXQEBP-CYBMUJFWSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@](C#N)(NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000492861526 380712159 /nfs/dbraw/zinc/71/21/59/380712159.db2.gz JTNMCTPGMRHVGT-LZNQSLFOSA-N 1 2 272.352 2.402 20 30 CEEDLO C[C@](C#N)(NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000492861528 380712367 /nfs/dbraw/zinc/71/23/67/380712367.db2.gz JTNMCTPGMRHVGT-MVGZEHJDSA-N 1 2 272.352 2.402 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)CCC#N ZINC000493402814 380968075 /nfs/dbraw/zinc/96/80/75/380968075.db2.gz OYBZFSUOPUFETQ-SREVYHEPSA-N 1 2 274.368 2.362 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(C(C)(C)C)c2)n1 ZINC000279349726 194394840 /nfs/dbraw/zinc/39/48/40/194394840.db2.gz FYTCKGWGTHDSKJ-UHFFFAOYSA-N 1 2 299.422 2.490 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(C(C)(C)C)c2)n1 ZINC000279349726 194394841 /nfs/dbraw/zinc/39/48/41/194394841.db2.gz FYTCKGWGTHDSKJ-UHFFFAOYSA-N 1 2 299.422 2.490 20 30 CEEDLO C=CC[C@@H](CO)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000495071123 381165656 /nfs/dbraw/zinc/16/56/56/381165656.db2.gz WUOGLZIMIHCFBF-OCCSQVGLSA-N 1 2 278.400 2.200 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](C)NC(=O)OC(C)(C)C ZINC000496809982 381227454 /nfs/dbraw/zinc/22/74/54/381227454.db2.gz OMJMZJZWKIRCMN-LBPRGKRZSA-N 1 2 267.373 2.301 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](C)NC(=O)OC(C)(C)C ZINC000496809982 381227462 /nfs/dbraw/zinc/22/74/62/381227462.db2.gz OMJMZJZWKIRCMN-LBPRGKRZSA-N 1 2 267.373 2.301 20 30 CEEDLO O=C(NC[C@@H]1CCCCO1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329231765 227368654 /nfs/dbraw/zinc/36/86/54/227368654.db2.gz FLQYGIDHOOEGTE-LSDHHAIUSA-N 1 2 296.411 2.155 20 30 CEEDLO O=C(NC[C@@H]1CCCCO1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329231765 227368660 /nfs/dbraw/zinc/36/86/60/227368660.db2.gz FLQYGIDHOOEGTE-LSDHHAIUSA-N 1 2 296.411 2.155 20 30 CEEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cccs1 ZINC000329828324 533102537 /nfs/dbraw/zinc/10/25/37/533102537.db2.gz JBTAWJGVELCJAC-SNVBAGLBSA-N 1 2 276.365 2.435 20 30 CEEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1C(F)F ZINC000329235816 227370511 /nfs/dbraw/zinc/37/05/11/227370511.db2.gz NURSQEWNAZBQPQ-GHMZBOCLSA-N 1 2 298.337 2.404 20 30 CEEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246404847 131093373 /nfs/dbraw/zinc/09/33/73/131093373.db2.gz LIWAFKIVLHRAMK-QWHCGFSZSA-N 1 2 267.394 2.449 20 30 CEEDLO C=C(C)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246404847 131093374 /nfs/dbraw/zinc/09/33/74/131093374.db2.gz LIWAFKIVLHRAMK-QWHCGFSZSA-N 1 2 267.394 2.449 20 30 CEEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)nc1 ZINC000263893832 131355213 /nfs/dbraw/zinc/35/52/13/131355213.db2.gz VJXZSJZPMYOZPZ-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)nc1 ZINC000263893832 131355214 /nfs/dbraw/zinc/35/52/14/131355214.db2.gz VJXZSJZPMYOZPZ-UHFFFAOYSA-N 1 2 299.403 2.122 20 30 CEEDLO N#Cc1cccc(C#N)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000302434802 394475777 /nfs/dbraw/zinc/47/57/77/394475777.db2.gz MAYSLNSOMGHJCB-UHFFFAOYSA-N 1 2 277.331 2.468 20 30 CEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000302959558 394479496 /nfs/dbraw/zinc/47/94/96/394479496.db2.gz HAZRMBWHHYUWCQ-HNNXBMFYSA-N 1 2 284.359 2.425 20 30 CEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000302959558 394479499 /nfs/dbraw/zinc/47/94/99/394479499.db2.gz HAZRMBWHHYUWCQ-HNNXBMFYSA-N 1 2 284.359 2.425 20 30 CEEDLO O=C(NCCn1cc[nH+]c1)Nc1cnc2c(c1)CCCC2 ZINC000329445539 394564164 /nfs/dbraw/zinc/56/41/64/394564164.db2.gz KYJPKMMVOTWMBE-UHFFFAOYSA-N 1 2 285.351 2.183 20 30 CEEDLO [O-]C(NCCn1cc[nH+]c1)=[NH+]c1cnc2c(c1)CCCC2 ZINC000329445539 394564166 /nfs/dbraw/zinc/56/41/66/394564166.db2.gz KYJPKMMVOTWMBE-UHFFFAOYSA-N 1 2 285.351 2.183 20 30 CEEDLO CSC[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329538689 394571021 /nfs/dbraw/zinc/57/10/21/394571021.db2.gz CCAOFLABENUOFA-MNOVXSKESA-N 1 2 294.424 2.008 20 30 CEEDLO CSC[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329538689 394571024 /nfs/dbraw/zinc/57/10/24/394571024.db2.gz CCAOFLABENUOFA-MNOVXSKESA-N 1 2 294.424 2.008 20 30 CEEDLO O=C(NCC[C@@H]1CCOC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329764132 394583652 /nfs/dbraw/zinc/58/36/52/394583652.db2.gz VKASMWOKSHWHGK-CHWSQXEVSA-N 1 2 292.383 2.277 20 30 CEEDLO O=C(N[C@H]1CCc2c1cccc2O)N1CCn2cc[nH+]c2C1 ZINC000329798783 394586129 /nfs/dbraw/zinc/58/61/29/394586129.db2.gz GWGRMFQZZXUQDC-ZDUSSCGKSA-N 1 2 298.346 2.006 20 30 CEEDLO C[C@H](C(=O)N[C@@H]1CCc2cn[nH]c2C1)[NH+]1CCCCCC1 ZINC000329841560 394589051 /nfs/dbraw/zinc/58/90/51/394589051.db2.gz KDLFPFIKRBOOAY-TZMCWYRMSA-N 1 2 290.411 2.488 20 30 CEEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000266013752 394657459 /nfs/dbraw/zinc/65/74/59/394657459.db2.gz NYIGIRJPJYNZLV-UHFFFAOYSA-N 1 2 291.420 2.446 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c[nH+]1 ZINC000330459213 394612475 /nfs/dbraw/zinc/61/24/75/394612475.db2.gz QELCYSUCJCCFNS-ZETCQYMHSA-N 1 2 277.328 2.464 20 30 CEEDLO CC(C)CN(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330537011 394617763 /nfs/dbraw/zinc/61/77/63/394617763.db2.gz PSEVZXHMJAPVMB-UHFFFAOYSA-N 1 2 292.305 2.447 20 30 CEEDLO CC(C)c1[nH]ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330617880 394621687 /nfs/dbraw/zinc/62/16/87/394621687.db2.gz XLSWJUOUBSJLAD-LBPRGKRZSA-N 1 2 279.384 2.163 20 30 CEEDLO CC(C)c1[nH]ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330617880 394621692 /nfs/dbraw/zinc/62/16/92/394621692.db2.gz XLSWJUOUBSJLAD-LBPRGKRZSA-N 1 2 279.384 2.163 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000266961911 394671585 /nfs/dbraw/zinc/67/15/85/394671585.db2.gz WZMZFPVDHXQEHD-ZDUSSCGKSA-N 1 2 291.370 2.108 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000266961911 394671586 /nfs/dbraw/zinc/67/15/86/394671586.db2.gz WZMZFPVDHXQEHD-ZDUSSCGKSA-N 1 2 291.370 2.108 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335212067 394749518 /nfs/dbraw/zinc/74/95/18/394749518.db2.gz OYBXUIPMGIMFEB-OLZOCXBDSA-N 1 2 259.353 2.013 20 30 CEEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCCC1OCCCO1 ZINC000268507107 394696071 /nfs/dbraw/zinc/69/60/71/394696071.db2.gz RJEOJDNEUKUDSJ-UHFFFAOYSA-N 1 2 298.770 2.324 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(OC)c1OC ZINC000271121400 394747491 /nfs/dbraw/zinc/74/74/91/394747491.db2.gz ICTRKOUZACTCCT-NSHDSACASA-N 1 2 278.352 2.304 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(OC)c1OC ZINC000271121400 394747493 /nfs/dbraw/zinc/74/74/93/394747493.db2.gz ICTRKOUZACTCCT-NSHDSACASA-N 1 2 278.352 2.304 20 30 CEEDLO COCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000271112566 394747581 /nfs/dbraw/zinc/74/75/81/394747581.db2.gz CDUCTRIAIAYUKA-ZDUSSCGKSA-N 1 2 262.353 2.303 20 30 CEEDLO COCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000271112566 394747584 /nfs/dbraw/zinc/74/75/84/394747584.db2.gz CDUCTRIAIAYUKA-ZDUSSCGKSA-N 1 2 262.353 2.303 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000271124602 394747603 /nfs/dbraw/zinc/74/76/03/394747603.db2.gz JXVJPMOKIKJTKX-LBPRGKRZSA-N 1 2 269.352 2.074 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000271124602 394747608 /nfs/dbraw/zinc/74/76/08/394747608.db2.gz JXVJPMOKIKJTKX-LBPRGKRZSA-N 1 2 269.352 2.074 20 30 CEEDLO CC(=O)N1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000269634115 394719683 /nfs/dbraw/zinc/71/96/83/394719683.db2.gz QMKFVTPLFCXXOD-ZDUSSCGKSA-N 1 2 290.794 2.244 20 30 CEEDLO CC(=O)N1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000269634115 394719686 /nfs/dbraw/zinc/71/96/86/394719686.db2.gz QMKFVTPLFCXXOD-ZDUSSCGKSA-N 1 2 290.794 2.244 20 30 CEEDLO N#CC1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCCC1 ZINC000271367166 394755253 /nfs/dbraw/zinc/75/52/53/394755253.db2.gz QVNKGWZZRGFKRN-UHFFFAOYSA-N 1 2 295.346 2.224 20 30 CEEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(C)c(F)c2)s1 ZINC000271589155 394759346 /nfs/dbraw/zinc/75/93/46/394759346.db2.gz XYBPHEBBJLEOOB-UHFFFAOYSA-N 1 2 280.328 2.131 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597154 394763697 /nfs/dbraw/zinc/76/36/97/394763697.db2.gz IWMQRKDQYDBZMM-OLZOCXBDSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359597154 394763699 /nfs/dbraw/zinc/76/36/99/394763699.db2.gz IWMQRKDQYDBZMM-OLZOCXBDSA-N 1 2 265.401 2.115 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000359758616 394774257 /nfs/dbraw/zinc/77/42/57/394774257.db2.gz QVDWOJFBIQQMPI-UHFFFAOYSA-N 1 2 270.336 2.394 20 30 CEEDLO CC(C)N1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000272488885 394774838 /nfs/dbraw/zinc/77/48/38/394774838.db2.gz BWLJJPZQMLSDPA-ZDUSSCGKSA-N 1 2 271.364 2.172 20 30 CEEDLO CC(C)N1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000272488885 394774842 /nfs/dbraw/zinc/77/48/42/394774842.db2.gz BWLJJPZQMLSDPA-ZDUSSCGKSA-N 1 2 271.364 2.172 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000335843778 394803436 /nfs/dbraw/zinc/80/34/36/394803436.db2.gz MKNJEVYDMKLFGY-PBHICJAKSA-N 1 2 289.350 2.057 20 30 CEEDLO C[C@H]1OCC[C@]12C[N@@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000335843778 394803438 /nfs/dbraw/zinc/80/34/38/394803438.db2.gz MKNJEVYDMKLFGY-PBHICJAKSA-N 1 2 289.350 2.057 20 30 CEEDLO O[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC12CC2 ZINC000335858734 394804926 /nfs/dbraw/zinc/80/49/26/394804926.db2.gz BITIDCHASBRKTC-AWEZNQCLSA-N 1 2 261.752 2.148 20 30 CEEDLO O[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC12CC2 ZINC000335858734 394804930 /nfs/dbraw/zinc/80/49/30/394804930.db2.gz BITIDCHASBRKTC-AWEZNQCLSA-N 1 2 261.752 2.148 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361071953 394813427 /nfs/dbraw/zinc/81/34/27/394813427.db2.gz CMUVNKNYQZYOBN-CYBMUJFWSA-N 1 2 271.364 2.325 20 30 CEEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000361071953 394813431 /nfs/dbraw/zinc/81/34/31/394813431.db2.gz CMUVNKNYQZYOBN-CYBMUJFWSA-N 1 2 271.364 2.325 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)OC ZINC000361184305 394818895 /nfs/dbraw/zinc/81/88/95/394818895.db2.gz NTPOBZJLHKWNOL-LBPRGKRZSA-N 1 2 263.337 2.245 20 30 CEEDLO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)OC ZINC000361184305 394818898 /nfs/dbraw/zinc/81/88/98/394818898.db2.gz NTPOBZJLHKWNOL-LBPRGKRZSA-N 1 2 263.337 2.245 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CC(C)(OC)C2)cc1OC ZINC000362310166 394852628 /nfs/dbraw/zinc/85/26/28/394852628.db2.gz WYTXPLSLHIPSAJ-UHFFFAOYSA-N 1 2 277.364 2.481 20 30 CEEDLO Cc1cc(NCC2(CC#N)CC2)nc(-c2cccnc2)[nH+]1 ZINC000362365307 394856136 /nfs/dbraw/zinc/85/61/36/394856136.db2.gz MWYUCYFDRXNCEJ-UHFFFAOYSA-N 1 2 279.347 2.375 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)OCC ZINC000285156728 394954601 /nfs/dbraw/zinc/95/46/01/394954601.db2.gz PRYXKYPIABVKHP-UKRRQHHQSA-N 1 2 259.349 2.162 20 30 CEEDLO CCc1[nH+]c2cc(CNC(=O)CC#N)ccc2n1C1CC1 ZINC000338684681 394926448 /nfs/dbraw/zinc/92/64/48/394926448.db2.gz SAOBTBOIEVKGOK-UHFFFAOYSA-N 1 2 282.347 2.463 20 30 CEEDLO C=CCOCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000338958342 394933937 /nfs/dbraw/zinc/93/39/37/394933937.db2.gz PXPJRXCIFNLURZ-HNNXBMFYSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCOCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000338958342 394933942 /nfs/dbraw/zinc/93/39/42/394933942.db2.gz PXPJRXCIFNLURZ-HNNXBMFYSA-N 1 2 265.328 2.402 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000367049101 394956462 /nfs/dbraw/zinc/95/64/62/394956462.db2.gz BWCGDAZUSSIZQF-WBMJQRKESA-N 1 2 294.345 2.387 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000367049101 394956464 /nfs/dbraw/zinc/95/64/64/394956464.db2.gz BWCGDAZUSSIZQF-WBMJQRKESA-N 1 2 294.345 2.387 20 30 CEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000284022852 394940142 /nfs/dbraw/zinc/94/01/42/394940142.db2.gz IENSLLIOQZNLQH-MFKMUULPSA-N 1 2 259.309 2.087 20 30 CEEDLO FC1=CCCN(CC#CC[N@@H+]2CCC=C(F)C2)C1 ZINC000284255377 394942606 /nfs/dbraw/zinc/94/26/06/394942606.db2.gz WOWFSXWGEZOFHU-UHFFFAOYSA-N 1 2 252.308 2.108 20 30 CEEDLO FC1=CCCN(CC#CC[N@H+]2CCC=C(F)C2)C1 ZINC000284255377 394942609 /nfs/dbraw/zinc/94/26/09/394942609.db2.gz WOWFSXWGEZOFHU-UHFFFAOYSA-N 1 2 252.308 2.108 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](COc3ccccc3)C2)C1 ZINC000339126816 394944192 /nfs/dbraw/zinc/94/41/92/394944192.db2.gz HGXLNJOYNSREHV-VYDXJSESSA-N 1 2 286.375 2.458 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](COc3ccccc3)C2)C1 ZINC000339126816 394944195 /nfs/dbraw/zinc/94/41/95/394944195.db2.gz HGXLNJOYNSREHV-VYDXJSESSA-N 1 2 286.375 2.458 20 30 CEEDLO N#CCC[C@H](C#N)Cn1cc[nH+]c1-c1cccnc1 ZINC000151945410 394981898 /nfs/dbraw/zinc/98/18/98/394981898.db2.gz SMPICTZGRPFGTP-GFCCVEGCSA-N 1 2 251.293 2.389 20 30 CEEDLO Cc1c[nH+]c(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)n1C ZINC000342856558 395025407 /nfs/dbraw/zinc/02/54/07/395025407.db2.gz ZSLSCROLZKHILT-HOCLYGCPSA-N 1 2 288.395 2.156 20 30 CEEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135244048 394965077 /nfs/dbraw/zinc/96/50/77/394965077.db2.gz CENKXAMQSBMRLO-OAHLLOKOSA-N 1 2 285.391 2.198 20 30 CEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135244048 394965080 /nfs/dbraw/zinc/96/50/80/394965080.db2.gz CENKXAMQSBMRLO-OAHLLOKOSA-N 1 2 285.391 2.198 20 30 CEEDLO C=CCCCN(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000135662631 394967954 /nfs/dbraw/zinc/96/79/54/394967954.db2.gz KZLNCVSLZIKWEU-UHFFFAOYSA-N 1 2 270.336 2.306 20 30 CEEDLO CC#CC[N@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000339754547 394969397 /nfs/dbraw/zinc/96/93/97/394969397.db2.gz QYWPJAUVPXRTSL-UHFFFAOYSA-N 1 2 279.405 2.324 20 30 CEEDLO CC#CC[N@@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000339754547 394969401 /nfs/dbraw/zinc/96/94/01/394969401.db2.gz QYWPJAUVPXRTSL-UHFFFAOYSA-N 1 2 279.405 2.324 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000155222233 395026625 /nfs/dbraw/zinc/02/66/25/395026625.db2.gz AXIZLFOUJWZQBI-XJKSGUPXSA-N 1 2 296.374 2.145 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000155222233 395026629 /nfs/dbraw/zinc/02/66/29/395026629.db2.gz AXIZLFOUJWZQBI-XJKSGUPXSA-N 1 2 296.374 2.145 20 30 CEEDLO CCCN(CC#N)CC(C)C[N@@H+](CC#N)CCC ZINC000346433662 395100089 /nfs/dbraw/zinc/10/00/89/395100089.db2.gz RIYFKQPQUJVPPN-UHFFFAOYSA-N 1 2 250.390 2.094 20 30 CEEDLO CCCN(CC#N)CC(C)C[N@H+](CC#N)CCC ZINC000346433662 395100093 /nfs/dbraw/zinc/10/00/93/395100093.db2.gz RIYFKQPQUJVPPN-UHFFFAOYSA-N 1 2 250.390 2.094 20 30 CEEDLO Cc1cc(NCC(C)(C)OCC2CC2)c(C#N)c[nH+]1 ZINC000425265666 395054867 /nfs/dbraw/zinc/05/48/67/395054867.db2.gz FIZNZWBHGWYJFV-UHFFFAOYSA-N 1 2 259.353 2.301 20 30 CEEDLO N#CC1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000416348224 395055916 /nfs/dbraw/zinc/05/59/16/395055916.db2.gz SRDPCRXTEYLTRK-UHFFFAOYSA-N 1 2 294.358 2.355 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373352333 395059639 /nfs/dbraw/zinc/05/96/39/395059639.db2.gz DUTWSQKETZYMPD-ZDUSSCGKSA-N 1 2 275.396 2.480 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1[nH+]ccn1C ZINC000425445288 395060180 /nfs/dbraw/zinc/06/01/80/395060180.db2.gz CSSHWZZVEPHSRM-LBPRGKRZSA-N 1 2 297.362 2.194 20 30 CEEDLO N#CCC1(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000374027201 395069806 /nfs/dbraw/zinc/06/98/06/395069806.db2.gz MKXIZMFKOFLUDR-GFCCVEGCSA-N 1 2 287.367 2.340 20 30 CEEDLO C=C[C@@H](CO)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000289701109 395083655 /nfs/dbraw/zinc/08/36/55/395083655.db2.gz IPQKJOOJDMLLHF-APPZFPTMSA-N 1 2 289.148 2.181 20 30 CEEDLO N#CCN(Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346148195 395088717 /nfs/dbraw/zinc/08/87/17/395088717.db2.gz WKZGUDDUKLCFDM-UHFFFAOYSA-N 1 2 258.350 2.422 20 30 CEEDLO N#CC[N@@H+](C[C@H](O)COc1ccccc1F)C1CCCC1 ZINC000172434286 395102899 /nfs/dbraw/zinc/10/28/99/395102899.db2.gz KPWDLPZQFWLGLR-AWEZNQCLSA-N 1 2 292.354 2.334 20 30 CEEDLO N#CC[N@H+](C[C@H](O)COc1ccccc1F)C1CCCC1 ZINC000172434286 395102903 /nfs/dbraw/zinc/10/29/03/395102903.db2.gz KPWDLPZQFWLGLR-AWEZNQCLSA-N 1 2 292.354 2.334 20 30 CEEDLO C=CCCCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000372113267 395035334 /nfs/dbraw/zinc/03/53/34/395035334.db2.gz PKNPTMAJWPKNMH-UHFFFAOYSA-N 1 2 280.412 2.104 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(CC#N)cc1)CC2 ZINC000376265844 395114457 /nfs/dbraw/zinc/11/44/57/395114457.db2.gz MPVKFQLBOJFAJO-UHFFFAOYSA-N 1 2 295.346 2.305 20 30 CEEDLO C[C@H](c1cnccn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376597310 395126591 /nfs/dbraw/zinc/12/65/91/395126591.db2.gz ZWPIDNSYONMCTD-CQSZACIVSA-N 1 2 293.374 2.490 20 30 CEEDLO N#CCCCC[S@](=O)Cc1cn2ccccc2[nH+]1 ZINC000176544342 395139491 /nfs/dbraw/zinc/13/94/91/395139491.db2.gz IMBJXCQEKCNKOL-SFHVURJKSA-N 1 2 261.350 2.277 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000293285641 395226789 /nfs/dbraw/zinc/22/67/89/395226789.db2.gz YQDSUHZDRKYMIB-CYBMUJFWSA-N 1 2 251.326 2.164 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000293285641 395226792 /nfs/dbraw/zinc/22/67/92/395226792.db2.gz YQDSUHZDRKYMIB-CYBMUJFWSA-N 1 2 251.326 2.164 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000293285643 395226824 /nfs/dbraw/zinc/22/68/24/395226824.db2.gz YQDSUHZDRKYMIB-ZDUSSCGKSA-N 1 2 251.326 2.164 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000293285643 395226827 /nfs/dbraw/zinc/22/68/27/395226827.db2.gz YQDSUHZDRKYMIB-ZDUSSCGKSA-N 1 2 251.326 2.164 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000293359279 395231465 /nfs/dbraw/zinc/23/14/65/395231465.db2.gz ZVFIPFDGWUUFLP-UHFFFAOYSA-N 1 2 296.773 2.393 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000293359279 395231466 /nfs/dbraw/zinc/23/14/66/395231466.db2.gz ZVFIPFDGWUUFLP-UHFFFAOYSA-N 1 2 296.773 2.393 20 30 CEEDLO C#CC[N@@H+](Cc1nccc(N)n1)[C@H]1CCc2ccccc21 ZINC000179201456 395183366 /nfs/dbraw/zinc/18/33/66/395183366.db2.gz JANFDOBYAHHMHT-HNNXBMFYSA-N 1 2 278.359 2.182 20 30 CEEDLO C#CC[N@H+](Cc1nccc(N)n1)[C@H]1CCc2ccccc21 ZINC000179201456 395183373 /nfs/dbraw/zinc/18/33/73/395183373.db2.gz JANFDOBYAHHMHT-HNNXBMFYSA-N 1 2 278.359 2.182 20 30 CEEDLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000180919708 395207195 /nfs/dbraw/zinc/20/71/95/395207195.db2.gz WKNQCDYLAGZYNA-NSHDSACASA-N 1 2 270.336 2.319 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1[N+](=O)[O-] ZINC000352417581 395251793 /nfs/dbraw/zinc/25/17/93/395251793.db2.gz RBKAWQNKDQWCTD-JTQLQIEISA-N 1 2 263.297 2.195 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1[N+](=O)[O-] ZINC000352417581 395251797 /nfs/dbraw/zinc/25/17/97/395251797.db2.gz RBKAWQNKDQWCTD-JTQLQIEISA-N 1 2 263.297 2.195 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000293040543 395216786 /nfs/dbraw/zinc/21/67/86/395216786.db2.gz GYJMNQGOZRUYDE-UHFFFAOYSA-N 1 2 262.378 2.302 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000293040543 395216792 /nfs/dbraw/zinc/21/67/92/395216792.db2.gz GYJMNQGOZRUYDE-UHFFFAOYSA-N 1 2 262.378 2.302 20 30 CEEDLO COc1ccc[nH+]c1N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000528026310 395283048 /nfs/dbraw/zinc/28/30/48/395283048.db2.gz PCEPDIUCVSEPCV-CYBMUJFWSA-N 1 2 296.330 2.015 20 30 CEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(C)C ZINC000411195935 395321548 /nfs/dbraw/zinc/32/15/48/395321548.db2.gz TYZUPOKCAODIPH-GFCCVEGCSA-N 1 2 291.351 2.060 20 30 CEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(C)C ZINC000411195935 395321550 /nfs/dbraw/zinc/32/15/50/395321550.db2.gz TYZUPOKCAODIPH-GFCCVEGCSA-N 1 2 291.351 2.060 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000192225717 395377112 /nfs/dbraw/zinc/37/71/12/395377112.db2.gz LOGWGROBOXROSY-LLVKDONJSA-N 1 2 280.318 2.049 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000192225717 395377117 /nfs/dbraw/zinc/37/71/17/395377117.db2.gz LOGWGROBOXROSY-LLVKDONJSA-N 1 2 280.318 2.049 20 30 CEEDLO N#CC1(CC[N@@H+]2CCOC[C@@]23CCOC3)CCCCC1 ZINC000411699543 395336252 /nfs/dbraw/zinc/33/62/52/395336252.db2.gz WMSGVQMRXOSUOS-INIZCTEOSA-N 1 2 278.396 2.342 20 30 CEEDLO N#CC1(CC[N@H+]2CCOC[C@@]23CCOC3)CCCCC1 ZINC000411699543 395336257 /nfs/dbraw/zinc/33/62/57/395336257.db2.gz WMSGVQMRXOSUOS-INIZCTEOSA-N 1 2 278.396 2.342 20 30 CEEDLO Cn1cnnc1C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411738633 395337342 /nfs/dbraw/zinc/33/73/42/395337342.db2.gz LRNVNCXJPNYMIK-UHFFFAOYSA-N 1 2 261.373 2.111 20 30 CEEDLO Cn1cnnc1C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411738633 395337345 /nfs/dbraw/zinc/33/73/45/395337345.db2.gz LRNVNCXJPNYMIK-UHFFFAOYSA-N 1 2 261.373 2.111 20 30 CEEDLO Cc1nnc([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC000412024364 395345039 /nfs/dbraw/zinc/34/50/39/395345039.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000412024364 395345043 /nfs/dbraw/zinc/34/50/43/395345043.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000412024364 395345046 /nfs/dbraw/zinc/34/50/46/395345046.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1nc([C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC000412024364 395345048 /nfs/dbraw/zinc/34/50/48/395345048.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1nc([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC000412024364 395345052 /nfs/dbraw/zinc/34/50/52/395345052.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 1 2 284.338 2.093 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1occc1C ZINC000412026847 395345275 /nfs/dbraw/zinc/34/52/75/395345275.db2.gz NMPNGIQCPDYJNA-ZDUSSCGKSA-N 1 2 291.395 2.418 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1occc1C ZINC000412026847 395345278 /nfs/dbraw/zinc/34/52/78/395345278.db2.gz NMPNGIQCPDYJNA-ZDUSSCGKSA-N 1 2 291.395 2.418 20 30 CEEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnnn1C ZINC000297894437 395349846 /nfs/dbraw/zinc/34/98/46/395349846.db2.gz OJVZPAHQRYBNCR-LBPRGKRZSA-N 1 2 284.367 2.055 20 30 CEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnnn1C ZINC000297894437 395349847 /nfs/dbraw/zinc/34/98/47/395349847.db2.gz OJVZPAHQRYBNCR-LBPRGKRZSA-N 1 2 284.367 2.055 20 30 CEEDLO Cc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)ccc1C#N ZINC000449405016 395546345 /nfs/dbraw/zinc/54/63/45/395546345.db2.gz HOYLBSNZWBUEBU-UHFFFAOYSA-N 1 2 269.352 2.398 20 30 CEEDLO CCO[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000449492378 395550951 /nfs/dbraw/zinc/55/09/51/395550951.db2.gz BWCMBJQVMAWOOW-ZYHUDNBSSA-N 1 2 265.382 2.262 20 30 CEEDLO CCO[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000449492378 395550952 /nfs/dbraw/zinc/55/09/52/395550952.db2.gz BWCMBJQVMAWOOW-ZYHUDNBSSA-N 1 2 265.382 2.262 20 30 CEEDLO COC[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000449759472 395560098 /nfs/dbraw/zinc/56/00/98/395560098.db2.gz JLGAHUZLENHVBN-LLVKDONJSA-N 1 2 251.355 2.016 20 30 CEEDLO COC[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000449759472 395560102 /nfs/dbraw/zinc/56/01/02/395560102.db2.gz JLGAHUZLENHVBN-LLVKDONJSA-N 1 2 251.355 2.016 20 30 CEEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456442643 395633761 /nfs/dbraw/zinc/63/37/61/395633761.db2.gz ZRJNBHXQOMAMLY-IINYFYTJSA-N 1 2 280.331 2.499 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459783733 395666796 /nfs/dbraw/zinc/66/67/96/395666796.db2.gz IQBBORPULAKLSK-NSHDSACASA-N 1 2 270.336 2.151 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1 ZINC000491463615 395669651 /nfs/dbraw/zinc/66/96/51/395669651.db2.gz NVQZASGAKOBATQ-UHFFFAOYSA-N 1 2 282.343 2.437 20 30 CEEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1 ZINC000491463615 395669652 /nfs/dbraw/zinc/66/96/52/395669652.db2.gz NVQZASGAKOBATQ-UHFFFAOYSA-N 1 2 282.343 2.437 20 30 CEEDLO Cc1cc(NC(=O)C=Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000491862933 395670804 /nfs/dbraw/zinc/67/08/04/395670804.db2.gz GPRCYCDFERYBFY-VOTSOKGWSA-N 1 2 263.300 2.336 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492893682 395671242 /nfs/dbraw/zinc/67/12/42/395671242.db2.gz NJQTYPIAEAZDGC-VOTSOKGWSA-N 1 2 293.326 2.291 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000649353995 396127145 /nfs/dbraw/zinc/12/71/45/396127145.db2.gz URPRFUVQTLZWRL-JKSUJKDBSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000649353995 396127146 /nfs/dbraw/zinc/12/71/46/396127146.db2.gz URPRFUVQTLZWRL-JKSUJKDBSA-N 1 2 277.364 2.006 20 30 CEEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2F)cc[nH+]1 ZINC000125506649 400278562 /nfs/dbraw/zinc/27/85/62/400278562.db2.gz OAWIQPDEVSWHHY-UHFFFAOYSA-N 1 2 291.307 2.202 20 30 CEEDLO N#CCCN(CCC1=CCCCC1)CC[NH+]1CCOCC1 ZINC000357193153 400373911 /nfs/dbraw/zinc/37/39/11/400373911.db2.gz TUHZRHGXMRXSNB-UHFFFAOYSA-N 1 2 291.439 2.425 20 30 CEEDLO N#Cc1ncccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000368185258 156300797 /nfs/dbraw/zinc/30/07/97/156300797.db2.gz RLIVKKRFHKDWMX-CYBMUJFWSA-N 1 2 266.304 2.006 20 30 CEEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000375916533 157162292 /nfs/dbraw/zinc/16/22/92/157162292.db2.gz BAGOAVIUQQIHMJ-LRDDRELGSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000375916533 157162295 /nfs/dbraw/zinc/16/22/95/157162295.db2.gz BAGOAVIUQQIHMJ-LRDDRELGSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(C#N)cc1F ZINC000331921715 287068686 /nfs/dbraw/zinc/06/86/86/287068686.db2.gz ZNFBXGPSKAFKIS-YGRLFVJLSA-N 1 2 285.326 2.475 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](Nc1cccc(C#N)n1)C1CCOCC1 ZINC000284505120 196071708 /nfs/dbraw/zinc/07/17/08/196071708.db2.gz HOOSEKKLSDVPFM-HNNXBMFYSA-N 1 2 297.362 2.267 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCn1cc[nH+]c1 ZINC000663236386 414890625 /nfs/dbraw/zinc/89/06/25/414890625.db2.gz ULBAVUFFLHPJQM-OKILXGFUSA-N 1 2 274.368 2.166 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660882228 415018911 /nfs/dbraw/zinc/01/89/11/415018911.db2.gz VPRSLIVFJMVZPM-LBPRGKRZSA-N 1 2 274.368 2.056 20 30 CEEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC#Cc2ccccc2)n1 ZINC000660750776 414960041 /nfs/dbraw/zinc/96/00/41/414960041.db2.gz DXGCPOSHACQERT-UHFFFAOYSA-N 1 2 281.359 2.367 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](CO)c2sccc2C)nn1 ZINC000653623893 415057081 /nfs/dbraw/zinc/05/70/81/415057081.db2.gz PSJBNGKKPRLIHI-ZDUSSCGKSA-N 1 2 292.408 2.047 20 30 CEEDLO C=CCCn1cc(C[NH+]2CCC(OC3CCC3)CC2)nn1 ZINC000653766865 415096760 /nfs/dbraw/zinc/09/67/60/415096760.db2.gz WHCJMSBFKKHTHJ-UHFFFAOYSA-N 1 2 290.411 2.388 20 30 CEEDLO C=C(C)CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661047273 415076081 /nfs/dbraw/zinc/07/60/81/415076081.db2.gz KJIIIDZCCBLDTM-UHFFFAOYSA-N 1 2 274.368 2.057 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000653757661 415095449 /nfs/dbraw/zinc/09/54/49/415095449.db2.gz YXXQNSHPBUYIKI-BXUZGUMPSA-N 1 2 287.363 2.498 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)OCC2(C)C)nn1 ZINC000653556960 415031116 /nfs/dbraw/zinc/03/11/16/415031116.db2.gz SQRINIDOYQVGIV-UHFFFAOYSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)OCC2(C)C)nn1 ZINC000653556960 415031117 /nfs/dbraw/zinc/03/11/17/415031117.db2.gz SQRINIDOYQVGIV-UHFFFAOYSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CC[N@H+](Cc1nccc(OC)c1OC)[C@@H](C)COC ZINC000661239436 415151529 /nfs/dbraw/zinc/15/15/29/415151529.db2.gz GIAMQZDXCLSXHR-LBPRGKRZSA-N 1 2 280.368 2.122 20 30 CEEDLO C=CC[N@@H+](Cc1nccc(OC)c1OC)[C@@H](C)COC ZINC000661239436 415151535 /nfs/dbraw/zinc/15/15/35/415151535.db2.gz GIAMQZDXCLSXHR-LBPRGKRZSA-N 1 2 280.368 2.122 20 30 CEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000661302895 415190466 /nfs/dbraw/zinc/19/04/66/415190466.db2.gz CYVOTPZINGAKAT-ZFWWWQNUSA-N 1 2 290.411 2.397 20 30 CEEDLO CC[C@@H](C#N)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000044809218 175257420 /nfs/dbraw/zinc/25/74/20/175257420.db2.gz KLVPKQOSSRNFRS-DZGCQCFKSA-N 1 2 271.364 2.051 20 30 CEEDLO CC[C@@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000044809218 175257421 /nfs/dbraw/zinc/25/74/21/175257421.db2.gz KLVPKQOSSRNFRS-DZGCQCFKSA-N 1 2 271.364 2.051 20 30 CEEDLO N#Cc1ccc(NCCCNc2cccc[nH+]2)nc1 ZINC000048561531 175437255 /nfs/dbraw/zinc/43/72/55/175437255.db2.gz WPLWTYCSTBTHPS-UHFFFAOYSA-N 1 2 253.309 2.262 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511936 415307948 /nfs/dbraw/zinc/30/79/48/415307948.db2.gz NGJYZFHRZHERMJ-SMDDNHRTSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661511936 415307955 /nfs/dbraw/zinc/30/79/55/415307955.db2.gz NGJYZFHRZHERMJ-SMDDNHRTSA-N 1 2 262.328 2.263 20 30 CEEDLO C=CCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661550672 415320914 /nfs/dbraw/zinc/32/09/14/415320914.db2.gz FRIKXPIMYYELPS-UHFFFAOYSA-N 1 2 274.368 2.057 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000658866988 415360610 /nfs/dbraw/zinc/36/06/10/415360610.db2.gz GKTBUOUSZDFQEW-OKILXGFUSA-N 1 2 299.374 2.347 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662165892 415667387 /nfs/dbraw/zinc/66/73/87/415667387.db2.gz VGYRVPQTPCIVPE-ZYHUDNBSSA-N 1 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/nfs/dbraw/zinc/01/08/72/228010872.db2.gz NMPOJKHHEPWIIF-STQMWFEESA-N 1 2 296.411 2.059 20 30 CEEDLO C[C@H]([C@H](C)NC(=O)C[C@@H]1CCC(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC000330023029 228018972 /nfs/dbraw/zinc/01/89/72/228018972.db2.gz IBAHABDJKVUUOK-RQJABVFESA-N 1 2 296.411 2.057 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000331684409 228118588 /nfs/dbraw/zinc/11/85/88/228118588.db2.gz VLZYKIXUQSRMKH-ZBFHGGJFSA-N 1 2 283.375 2.396 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2CC(F)(F)C2)C1 ZINC000330229985 228073463 /nfs/dbraw/zinc/07/34/63/228073463.db2.gz WGJOTQCZOWADLT-LLVKDONJSA-N 1 2 298.337 2.169 20 30 CEEDLO C=C[C@](C)(O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000667015960 419521546 /nfs/dbraw/zinc/52/15/46/419521546.db2.gz DETQPCKOXCKZTG-AWEZNQCLSA-N 1 2 295.408 2.005 20 30 CEEDLO C#C[C@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000374265750 260253669 /nfs/dbraw/zinc/25/36/69/260253669.db2.gz OYTCUIQIDBVOQU-KGLIPLIRSA-N 1 2 288.395 2.026 20 30 CEEDLO 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CEEDLO C#CC[N@H+](Cc1nc2oc(C)c(C)c2c(N)n1)C1CC1 ZINC000491628548 332251665 /nfs/dbraw/zinc/25/16/65/332251665.db2.gz VSFCXPKCEQAKMG-UHFFFAOYSA-N 1 2 270.336 2.019 20 30 CEEDLO C#C[C@@H](CC)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491640418 332260181 /nfs/dbraw/zinc/26/01/81/332260181.db2.gz YOEWEEONPXWKMK-INIZCTEOSA-N 1 2 296.374 2.142 20 30 CEEDLO C#CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C1CC1 ZINC000491769954 332336788 /nfs/dbraw/zinc/33/67/88/332336788.db2.gz LCTPZXXICWEVBY-LLVKDONJSA-N 1 2 299.296 2.080 20 30 CEEDLO C#C[C@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491774393 332340442 /nfs/dbraw/zinc/34/04/42/332340442.db2.gz WDPMGIVAJQFFNE-CYBMUJFWSA-N 1 2 253.305 2.014 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000491792857 332353306 /nfs/dbraw/zinc/35/33/06/332353306.db2.gz HSWAPYIBZZIVIW-CYBMUJFWSA-N 1 2 290.407 2.278 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000491792857 332353307 /nfs/dbraw/zinc/35/33/07/332353307.db2.gz HSWAPYIBZZIVIW-CYBMUJFWSA-N 1 2 290.407 2.278 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000491804493 332358373 /nfs/dbraw/zinc/35/83/73/332358373.db2.gz LOONBUMXUXQRMF-SECBINFHSA-N 1 2 277.274 2.468 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000491804493 332358374 /nfs/dbraw/zinc/35/83/74/332358374.db2.gz LOONBUMXUXQRMF-SECBINFHSA-N 1 2 277.274 2.468 20 30 CEEDLO C#CC[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000192222723 333232677 /nfs/dbraw/zinc/23/26/77/333232677.db2.gz DFXABKKXNQWEGY-UHFFFAOYSA-N 1 2 261.712 2.455 20 30 CEEDLO C#CC[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000192222723 333232679 /nfs/dbraw/zinc/23/26/79/333232679.db2.gz DFXABKKXNQWEGY-UHFFFAOYSA-N 1 2 261.712 2.455 20 30 CEEDLO C[C@H](CCC#N)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000522061046 333233341 /nfs/dbraw/zinc/23/33/41/333233341.db2.gz UPQPTEGZMMINAW-LLVKDONJSA-N 1 2 271.324 2.256 20 30 CEEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000522061046 333233342 /nfs/dbraw/zinc/23/33/42/333233342.db2.gz UPQPTEGZMMINAW-LLVKDONJSA-N 1 2 271.324 2.256 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CCC#N)Cc1ccco1 ZINC000136754621 334163179 /nfs/dbraw/zinc/16/31/79/334163179.db2.gz BCTDESCQBFYJLW-VOTSOKGWSA-N 1 2 298.346 2.452 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000565792733 334597869 /nfs/dbraw/zinc/59/78/69/334597869.db2.gz VJEXATHJWFMXKV-LLVKDONJSA-N 1 2 290.754 2.312 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000568181008 334801301 /nfs/dbraw/zinc/80/13/01/334801301.db2.gz IKCVOBPHXYVMOQ-GHMZBOCLSA-N 1 2 290.323 2.204 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2OC)C1=O ZINC000576764651 335245295 /nfs/dbraw/zinc/24/52/95/335245295.db2.gz ACPDCHJNLRFCGD-OLZOCXBDSA-N 1 2 287.363 2.082 20 30 CEEDLO C[C@H](CC1CCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580571550 335285479 /nfs/dbraw/zinc/28/54/79/335285479.db2.gz NHUMTCDODCRBCS-IUODEOHRSA-N 1 2 265.401 2.163 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC000578218536 335583988 /nfs/dbraw/zinc/58/39/88/335583988.db2.gz CIZZUFBMYCRRBA-NEPJUHHUSA-N 1 2 263.341 2.160 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000578639644 335657517 /nfs/dbraw/zinc/65/75/17/335657517.db2.gz DHYXNPXVDDEPFF-WCQYABFASA-N 1 2 270.336 2.167 20 30 CEEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(F)cc1 ZINC000578992058 335696801 /nfs/dbraw/zinc/69/68/01/335696801.db2.gz MRBICWHPNGZFRY-MLGOLLRUSA-N 1 2 291.370 2.279 20 30 CEEDLO N#CCC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000581686520 336128332 /nfs/dbraw/zinc/12/83/32/336128332.db2.gz SGWQRUSYKSIXHI-UHFFFAOYSA-N 1 2 273.384 2.130 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184855301 518894561 /nfs/dbraw/zinc/89/45/61/518894561.db2.gz AAQHMMJEBMUHBV-GFCCVEGCSA-N 1 2 285.347 2.294 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000069402451 521298977 /nfs/dbraw/zinc/29/89/77/521298977.db2.gz LKBHZKLAKFNABO-ZDUSSCGKSA-N 1 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MQDPZIOHQTZVOF-NSHDSACASA-N 1 2 251.355 2.016 20 30 CEEDLO CC[N@H+](Cc1nc(C#N)cs1)C[C@@H]1CCCO1 ZINC000356056602 528882607 /nfs/dbraw/zinc/88/26/07/528882607.db2.gz MQDPZIOHQTZVOF-NSHDSACASA-N 1 2 251.355 2.016 20 30 CEEDLO C#CCNC(=O)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000726184170 574424934 /nfs/dbraw/zinc/42/49/34/574424934.db2.gz LICDKHJRFAJPPI-UHFFFAOYSA-N 1 2 290.366 2.419 20 30 CEEDLO COc1cccc(O)c1/C=[NH+]\CCCN1CCCCC1=O ZINC000730146847 574502708 /nfs/dbraw/zinc/50/27/08/574502708.db2.gz HGCMCMAZUJUHIK-ATVHPVEESA-N 1 2 290.363 2.222 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000730278741 574513231 /nfs/dbraw/zinc/51/32/31/574513231.db2.gz PBZVTYUVVPFENI-QEJZJMRPSA-N 1 2 286.375 2.117 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000730278741 574513232 /nfs/dbraw/zinc/51/32/32/574513232.db2.gz PBZVTYUVVPFENI-QEJZJMRPSA-N 1 2 286.375 2.117 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)c2ccccc21 ZINC000730278550 574513366 /nfs/dbraw/zinc/51/33/66/574513366.db2.gz OSMWVDKNKUZQMP-BBRMVZONSA-N 1 2 268.360 2.234 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)c2ccccc21 ZINC000730278550 574513367 /nfs/dbraw/zinc/51/33/67/574513367.db2.gz OSMWVDKNKUZQMP-BBRMVZONSA-N 1 2 268.360 2.234 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000730819241 574578945 /nfs/dbraw/zinc/57/89/45/574578945.db2.gz RWYCTFGOWSGKKD-LLVKDONJSA-N 1 2 257.293 2.255 20 30 CEEDLO C#CCOc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000730979336 574586058 /nfs/dbraw/zinc/58/60/58/574586058.db2.gz SICCIPDKWJNFFF-UHFFFAOYSA-N 1 2 283.331 2.314 20 30 CEEDLO C=CC[N@@H+](CCN1CCOC1=O)Cc1ccccc1F ZINC000731103915 574589469 /nfs/dbraw/zinc/58/94/69/574589469.db2.gz OMGMHUMQSZGJPK-UHFFFAOYSA-N 1 2 278.327 2.266 20 30 CEEDLO C=CC[N@H+](CCN1CCOC1=O)Cc1ccccc1F ZINC000731103915 574589471 /nfs/dbraw/zinc/58/94/71/574589471.db2.gz OMGMHUMQSZGJPK-UHFFFAOYSA-N 1 2 278.327 2.266 20 30 CEEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000731445455 574596180 /nfs/dbraw/zinc/59/61/80/574596180.db2.gz CVQSHLJASZZVST-UHFFFAOYSA-N 1 2 292.726 2.438 20 30 CEEDLO CCCCCCCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000732150056 574613703 /nfs/dbraw/zinc/61/37/03/574613703.db2.gz VPKQSSLBHXOMSY-MRXNPFEDSA-N 1 2 297.487 2.489 20 30 CEEDLO CCCCCCCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000732150056 574613704 /nfs/dbraw/zinc/61/37/04/574613704.db2.gz VPKQSSLBHXOMSY-MRXNPFEDSA-N 1 2 297.487 2.489 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000753110616 575319966 /nfs/dbraw/zinc/31/99/66/575319966.db2.gz MDFOBAFCITYBIB-SNVBAGLBSA-N 1 2 267.402 2.073 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000753110616 575319967 /nfs/dbraw/zinc/31/99/67/575319967.db2.gz MDFOBAFCITYBIB-SNVBAGLBSA-N 1 2 267.402 2.073 20 30 CEEDLO C#CCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733302925 574661610 /nfs/dbraw/zinc/66/16/10/574661610.db2.gz XILDEIWXIGRMKD-UHFFFAOYSA-N 1 2 296.330 2.471 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)CN1C[C@H](C)CC1=O ZINC000733294680 574662451 /nfs/dbraw/zinc/66/24/51/574662451.db2.gz NLTLKNZXACMHSY-CQSZACIVSA-N 1 2 283.375 2.372 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)CN1C[C@H](C)CC1=O ZINC000733294680 574662452 /nfs/dbraw/zinc/66/24/52/574662452.db2.gz NLTLKNZXACMHSY-CQSZACIVSA-N 1 2 283.375 2.372 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]\CC2Cc3ccccc3C2)c1O ZINC000735229470 574747344 /nfs/dbraw/zinc/74/73/44/574747344.db2.gz ZZMLIXUELFPBKE-GRSHGNNSSA-N 1 2 296.370 2.422 20 30 CEEDLO Cc1ccc(CC[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000736310956 574782153 /nfs/dbraw/zinc/78/21/53/574782153.db2.gz AKZQRTYKNRTNQP-KRWDZBQOSA-N 1 2 269.392 2.210 20 30 CEEDLO Cc1ccc(CC[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000736310956 574782154 /nfs/dbraw/zinc/78/21/54/574782154.db2.gz AKZQRTYKNRTNQP-KRWDZBQOSA-N 1 2 269.392 2.210 20 30 CEEDLO C=C(Br)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948234 574887030 /nfs/dbraw/zinc/88/70/30/574887030.db2.gz GFWKZSKXCNSGJZ-UHFFFAOYSA-N 1 2 295.140 2.364 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000740480258 574955796 /nfs/dbraw/zinc/95/57/96/574955796.db2.gz RIUCYYFZJKHDPI-OAHLLOKOSA-N 1 2 297.443 2.095 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000740480258 574955797 /nfs/dbraw/zinc/95/57/97/574955797.db2.gz RIUCYYFZJKHDPI-OAHLLOKOSA-N 1 2 297.443 2.095 20 30 CEEDLO C#CCOc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000741691629 574994329 /nfs/dbraw/zinc/99/43/29/574994329.db2.gz NTPDCPWXLUPLPN-UHFFFAOYSA-N 1 2 297.358 2.105 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1cc(C)cc(C)c1 ZINC000747629636 575172696 /nfs/dbraw/zinc/17/26/96/575172696.db2.gz HHSPFNQFSHBANJ-UHFFFAOYSA-N 1 2 271.324 2.130 20 30 CEEDLO N#Cc1ccc(F)c(COC(=O)CCCn2cc[nH+]c2)c1 ZINC000748800236 575196631 /nfs/dbraw/zinc/19/66/31/575196631.db2.gz LHXMDDLQNSTXIR-UHFFFAOYSA-N 1 2 287.294 2.417 20 30 CEEDLO CCC(C)(C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787046 575234495 /nfs/dbraw/zinc/23/44/95/575234495.db2.gz CSSGADBVFZZMGA-SNVBAGLBSA-N 1 2 295.358 2.156 20 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2.274 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC)C[C@@H]1C ZINC000946937068 613235552 /nfs/dbraw/zinc/23/55/52/613235552.db2.gz QDGUWHYBAUDZRA-WDEREUQCSA-N 1 2 289.217 2.274 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(F)ccc2F)C1 ZINC000950514823 612991558 /nfs/dbraw/zinc/99/15/58/612991558.db2.gz HAYWCWGQOHVLMV-UHFFFAOYSA-N 1 2 292.329 2.134 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccsc2C)C1 ZINC000950038424 612992571 /nfs/dbraw/zinc/99/25/71/612992571.db2.gz ZOIFMRQJWOTZSN-UHFFFAOYSA-N 1 2 276.405 2.226 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)cc(C)cc2F)CC1 ZINC000981592659 613156469 /nfs/dbraw/zinc/15/64/69/613156469.db2.gz ILZYBHPSUAOQJW-UHFFFAOYSA-N 1 2 292.329 2.054 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)cc(C)cc2F)CC1 ZINC000981592659 613156470 /nfs/dbraw/zinc/15/64/70/613156470.db2.gz ILZYBHPSUAOQJW-UHFFFAOYSA-N 1 2 292.329 2.054 20 30 CEEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](CC=C(C)C)C2)c1 ZINC000951718834 613211700 /nfs/dbraw/zinc/21/17/00/613211700.db2.gz 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/nfs/dbraw/zinc/31/96/20/613319620.db2.gz BETKFZGBDDQUBI-UHFFFAOYSA-N 1 2 276.355 2.468 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000949939245 613320844 /nfs/dbraw/zinc/32/08/44/613320844.db2.gz HHMRLCILWMPBJR-UHFFFAOYSA-N 1 2 298.308 2.438 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC000970398744 613371532 /nfs/dbraw/zinc/37/15/32/613371532.db2.gz LDWAEWIYUZQNMT-LLVKDONJSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccncc2F)C1 ZINC000969428355 613371709 /nfs/dbraw/zinc/37/17/09/613371709.db2.gz UNJVUEZKZAOEES-SNVBAGLBSA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc[nH]c2CC)C1 ZINC000969609022 613371746 /nfs/dbraw/zinc/37/17/46/613371746.db2.gz OPDJHKWDCMNQGR-LLVKDONJSA-N 1 2 295.814 2.380 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2onc(C)c2C)C1 ZINC000969923699 613371919 /nfs/dbraw/zinc/37/19/19/613371919.db2.gz UEAIDXBORUHECF-LLVKDONJSA-N 1 2 297.786 2.094 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000957867417 613563089 /nfs/dbraw/zinc/56/30/89/613563089.db2.gz LQIOZRLYUKLSDW-JKSUJKDBSA-N 1 2 276.424 2.370 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000957867416 613563333 /nfs/dbraw/zinc/56/33/33/613563333.db2.gz LQIOZRLYUKLSDW-HZPDHXFCSA-N 1 2 276.424 2.370 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)c2cccc3cnccc32)CC1 ZINC000957659205 613568236 /nfs/dbraw/zinc/56/82/36/613568236.db2.gz JBRGNLGODQINTI-UHFFFAOYSA-N 1 2 293.370 2.016 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@]2(C)CC)C1 ZINC000957068192 613656064 /nfs/dbraw/zinc/65/60/64/613656064.db2.gz QAXLPAJNDGUBLU-UKRRQHHQSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]cc2C2CC2)C1 ZINC000957064160 613656586 /nfs/dbraw/zinc/65/65/86/613656586.db2.gz UBIQSZCXSXZBRB-UHFFFAOYSA-N 1 2 273.380 2.224 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(C)cc2)C1 ZINC000957313749 613657392 /nfs/dbraw/zinc/65/73/92/613657392.db2.gz VTGOQEFMTRJWLP-UHFFFAOYSA-N 1 2 258.365 2.327 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccn3ccccc23)C1 ZINC000950848730 613658545 /nfs/dbraw/zinc/65/85/45/613658545.db2.gz OZLPSMRORWEZAR-UHFFFAOYSA-N 1 2 283.375 2.272 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2CCC(F)(F)CC2)CC1 ZINC000950718980 613707604 /nfs/dbraw/zinc/70/76/04/613707604.db2.gz VXVXOAMLFYSTHD-UHFFFAOYSA-N 1 2 272.339 2.142 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2cccs2)CC1 ZINC000957603577 613707851 /nfs/dbraw/zinc/70/78/51/613707851.db2.gz FQTSZNVNTKVNLV-UHFFFAOYSA-N 1 2 264.394 2.011 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)CC1 ZINC000956975463 613711785 /nfs/dbraw/zinc/71/17/85/613711785.db2.gz XBPYZUCVUWZGJP-HKUYNNGSSA-N 1 2 296.414 2.221 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000949724762 613712612 /nfs/dbraw/zinc/71/26/12/613712612.db2.gz CRCDMRGOIKQLMZ-CYBMUJFWSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000950099373 613712880 /nfs/dbraw/zinc/71/28/80/613712880.db2.gz MVCXWOJVFXNWIS-KGLIPLIRSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000951204631 613716482 /nfs/dbraw/zinc/71/64/82/613716482.db2.gz MKJCNKYVMQUONQ-UHFFFAOYSA-N 1 2 294.782 2.292 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 ZINC000957031912 613716910 /nfs/dbraw/zinc/71/69/10/613716910.db2.gz IBTLFMACDBCPSY-UHFFFAOYSA-N 1 2 297.358 2.285 20 30 CEEDLO CC(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969175845 614099101 /nfs/dbraw/zinc/09/91/01/614099101.db2.gz FLFUPIYTYDJPEJ-GFCCVEGCSA-N 1 2 290.794 2.148 20 30 CEEDLO CC1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CC1 ZINC000981218785 614427394 /nfs/dbraw/zinc/42/73/94/614427394.db2.gz RJEBWZSPUIBYOW-UHFFFAOYSA-N 1 2 296.414 2.373 20 30 CEEDLO CC1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC1 ZINC000981218785 614427395 /nfs/dbraw/zinc/42/73/95/614427395.db2.gz RJEBWZSPUIBYOW-UHFFFAOYSA-N 1 2 296.414 2.373 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccon1 ZINC001024342697 625521426 /nfs/dbraw/zinc/52/14/26/625521426.db2.gz APXZAKKATSOTQC-LLVKDONJSA-N 1 2 283.759 2.011 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccon1 ZINC001024342697 625521431 /nfs/dbraw/zinc/52/14/31/625521431.db2.gz APXZAKKATSOTQC-LLVKDONJSA-N 1 2 283.759 2.011 20 30 CEEDLO CCn1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)cn1 ZINC000254925131 622663249 /nfs/dbraw/zinc/66/32/49/622663249.db2.gz ARSLRHUGOFQPDL-SREVYHEPSA-N 1 2 266.304 2.447 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000890647480 622746538 /nfs/dbraw/zinc/74/65/38/622746538.db2.gz FZRRWVMILYGYLZ-OAHLLOKOSA-N 1 2 281.359 2.200 20 30 CEEDLO Cc1nsc(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC000891425035 623622984 /nfs/dbraw/zinc/62/29/84/623622984.db2.gz WGARUTSVFVSTPC-VIFPVBQESA-N 1 2 289.364 2.134 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)N(CC)CC(F)(F)F ZINC000934459798 624509010 /nfs/dbraw/zinc/50/90/10/624509010.db2.gz LNZZOIQUOATIIN-SNVBAGLBSA-N 1 2 264.291 2.048 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(CC)CC(F)(F)F ZINC000934459798 624509013 /nfs/dbraw/zinc/50/90/13/624509013.db2.gz LNZZOIQUOATIIN-SNVBAGLBSA-N 1 2 264.291 2.048 20 30 CEEDLO N#CCC1C[NH+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000849327348 624777220 /nfs/dbraw/zinc/77/72/20/624777220.db2.gz RJUDOZFHXYVKLE-ZDUSSCGKSA-N 1 2 250.729 2.219 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCC1(C)COC1 ZINC000820659223 634491740 /nfs/dbraw/zinc/49/17/40/634491740.db2.gz VSBIZVUNTPNLHR-UHFFFAOYSA-N 1 2 260.337 2.322 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902310344 634577205 /nfs/dbraw/zinc/57/72/05/634577205.db2.gz CPYZTAMBBWQWDS-CYBMUJFWSA-N 1 2 269.348 2.226 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902310344 634577211 /nfs/dbraw/zinc/57/72/11/634577211.db2.gz CPYZTAMBBWQWDS-CYBMUJFWSA-N 1 2 269.348 2.226 20 30 CEEDLO CC(C)n1cc(C(=O)/C=C\c2ccc(N)[nH+]c2)cn1 ZINC000821038895 634610941 /nfs/dbraw/zinc/61/09/41/634610941.db2.gz NMXOADMSMFQTSH-HYXAFXHYSA-N 1 2 256.309 2.337 20 30 CEEDLO Nc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c[nH+]1 ZINC000821028150 634607926 /nfs/dbraw/zinc/60/79/26/634607926.db2.gz PKQUOQJOPXTMBZ-DAFODLJHSA-N 1 2 282.299 2.331 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932162157 628980650 /nfs/dbraw/zinc/98/06/50/628980650.db2.gz PDUGTGKUSFPGRC-HOTGVXAUSA-N 1 2 288.391 2.279 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932162157 628980652 /nfs/dbraw/zinc/98/06/52/628980652.db2.gz PDUGTGKUSFPGRC-HOTGVXAUSA-N 1 2 288.391 2.279 20 30 CEEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)CC2(CCOCC2)O1 ZINC000894123601 629149652 /nfs/dbraw/zinc/14/96/52/629149652.db2.gz BROFFUMAQBSCMW-LBPRGKRZSA-N 1 2 292.404 2.390 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CC2(CCOCC2)O1 ZINC000894123601 629149654 /nfs/dbraw/zinc/14/96/54/629149654.db2.gz BROFFUMAQBSCMW-LBPRGKRZSA-N 1 2 292.404 2.390 20 30 CEEDLO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000894203565 629207125 /nfs/dbraw/zinc/20/71/25/629207125.db2.gz GGXQBZJAJMRHHC-GFCCVEGCSA-N 1 2 288.347 2.020 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)C(=O)OC ZINC000878671129 629256143 /nfs/dbraw/zinc/25/61/43/629256143.db2.gz ADRTYWJIRPDNFM-RWMBFGLXSA-N 1 2 269.385 2.286 20 30 CEEDLO C#CCCN(Cc1c(C)cc[nH+]c1N)CC(F)(F)F ZINC000894474671 629482258 /nfs/dbraw/zinc/48/22/58/629482258.db2.gz WWQJNHVCXXTZHE-UHFFFAOYSA-N 1 2 271.286 2.360 20 30 CEEDLO C=CCCCCC[C@H](C)[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806675 629651605 /nfs/dbraw/zinc/65/16/05/629651605.db2.gz RBHKPKNGIJBLAU-ZDUSSCGKSA-N 1 2 278.400 2.111 20 30 CEEDLO C=CCCCCC[C@H](C)[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806675 629651611 /nfs/dbraw/zinc/65/16/11/629651611.db2.gz RBHKPKNGIJBLAU-ZDUSSCGKSA-N 1 2 278.400 2.111 20 30 CEEDLO CC(C)(C#N)CC[N@H+](CCO)Cc1cccnc1Cl ZINC000796557769 629932266 /nfs/dbraw/zinc/93/22/66/629932266.db2.gz QXKOCICASSUEKU-UHFFFAOYSA-N 1 2 281.787 2.469 20 30 CEEDLO CC(C)(C#N)CC[N@@H+](CCO)Cc1cccnc1Cl ZINC000796557769 629932270 /nfs/dbraw/zinc/93/22/70/629932270.db2.gz QXKOCICASSUEKU-UHFFFAOYSA-N 1 2 281.787 2.469 20 30 CEEDLO Cc1cc(F)c(C[NH2+][C@H]2CCCN(O)C2=O)c(Cl)c1 ZINC000895158893 629975289 /nfs/dbraw/zinc/97/52/89/629975289.db2.gz PZJNSRVKWBRMQV-LBPRGKRZSA-N 1 2 286.734 2.257 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000895412458 630173489 /nfs/dbraw/zinc/17/34/89/630173489.db2.gz WFKRLZYUQQPBGM-HNNXBMFYSA-N 1 2 271.364 2.396 20 30 CEEDLO C=CCOCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000797324641 630213731 /nfs/dbraw/zinc/21/37/31/630213731.db2.gz FDPISUCPUKDUTC-AWEZNQCLSA-N 1 2 263.337 2.035 20 30 CEEDLO CC(C)C[C@H](C(=O)Nc1ncc(C#N)s1)n1cc[nH+]c1 ZINC000896492482 630575120 /nfs/dbraw/zinc/57/51/20/630575120.db2.gz REIQZOKATCSCSO-LLVKDONJSA-N 1 2 289.364 2.437 20 30 CEEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCOC[C@H]2OC)c(O)c1 ZINC000840707522 630763292 /nfs/dbraw/zinc/76/32/92/630763292.db2.gz PJVNPQBYJXBEMM-HHWPTPDESA-N 1 2 293.363 2.261 20 30 CEEDLO CCCNc1cc(NCc2nc(C#N)cs2)nc[nH+]1 ZINC000896925483 630815313 /nfs/dbraw/zinc/81/53/13/630815313.db2.gz IWPWPYLLYRYGQQ-UHFFFAOYSA-N 1 2 274.353 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CEEDLO N#CC1(c2ccc(C(=O)N[C@@H]3CCn4c[nH+]cc43)cc2)CC1 ZINC000857982042 645034221 /nfs/dbraw/zinc/03/42/21/645034221.db2.gz LUYSHUZLRGILDI-CQSZACIVSA-N 1 2 292.342 2.313 20 30 CEEDLO NC(=[NH+]OCCC1OCCCO1)c1ccc(Cl)cc1 ZINC000760432202 645156576 /nfs/dbraw/zinc/15/65/76/645156576.db2.gz GFSJIONIYYBYEZ-UHFFFAOYSA-N 1 2 284.743 2.130 20 30 CEEDLO C#CCC[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000760846927 645201191 /nfs/dbraw/zinc/20/11/91/645201191.db2.gz IYPKPTDFPWWATG-SNVBAGLBSA-N 1 2 253.371 2.339 20 30 CEEDLO C#CCC[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000760846927 645201196 /nfs/dbraw/zinc/20/11/96/645201196.db2.gz IYPKPTDFPWWATG-SNVBAGLBSA-N 1 2 253.371 2.339 20 30 CEEDLO N#Cc1cccc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000763286672 645528356 /nfs/dbraw/zinc/52/83/56/645528356.db2.gz AXJXAQDZMYVIOF-UHFFFAOYSA-N 1 2 255.277 2.002 20 30 CEEDLO N#Cc1ccc(CCC(=O)OCCCn2cc[nH+]c2)cc1 ZINC000763293593 645530566 /nfs/dbraw/zinc/53/05/66/645530566.db2.gz KZFFIPHXMUAZKX-UHFFFAOYSA-N 1 2 283.331 2.321 20 30 CEEDLO C#CCC(CC#C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000764510995 645651366 /nfs/dbraw/zinc/65/13/66/645651366.db2.gz ZNMQGEVTNXHEGT-UHFFFAOYSA-N 1 2 291.354 2.151 20 30 CEEDLO C#C[C@@H](CC)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000768048777 646076200 /nfs/dbraw/zinc/07/62/00/646076200.db2.gz LFFFXAUIMDTMQW-AWEZNQCLSA-N 1 2 254.289 2.441 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)s1 ZINC000769297613 646238475 /nfs/dbraw/zinc/23/84/75/646238475.db2.gz GPKKMTVTIDLQJI-CYBMUJFWSA-N 1 2 278.377 2.347 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)s1 ZINC000769297613 646238478 /nfs/dbraw/zinc/23/84/78/646238478.db2.gz GPKKMTVTIDLQJI-CYBMUJFWSA-N 1 2 278.377 2.347 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000862324273 646399893 /nfs/dbraw/zinc/39/98/93/646399893.db2.gz IHYUOCBHJMJWFR-SECBINFHSA-N 1 2 253.296 2.280 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000862484589 646476277 /nfs/dbraw/zinc/47/62/77/646476277.db2.gz WBAYMPQYVYTIAW-ZDUSSCGKSA-N 1 2 272.348 2.342 20 30 CEEDLO C[C@@H](C#N)CN[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863104157 646636304 /nfs/dbraw/zinc/63/63/04/646636304.db2.gz VPURMCANXHOSPT-VIFPVBQESA-N 1 2 266.295 2.114 20 30 CEEDLO C=C(CC)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000773525166 646752634 /nfs/dbraw/zinc/75/26/34/646752634.db2.gz ZETJZJRFNMJPQX-MRXNPFEDSA-N 1 2 289.375 2.397 20 30 CEEDLO C=C(CC)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000773525166 646752636 /nfs/dbraw/zinc/75/26/36/646752636.db2.gz ZETJZJRFNMJPQX-MRXNPFEDSA-N 1 2 289.375 2.397 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000119620811 646806186 /nfs/dbraw/zinc/80/61/86/646806186.db2.gz CKUGNRCHONQNFI-HNNXBMFYSA-N 1 2 257.333 2.218 20 30 CEEDLO CC#CC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000119620811 646806190 /nfs/dbraw/zinc/80/61/90/646806190.db2.gz CKUGNRCHONQNFI-HNNXBMFYSA-N 1 2 257.333 2.218 20 30 CEEDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cccc(C#N)c1F ZINC000774567204 646862544 /nfs/dbraw/zinc/86/25/44/646862544.db2.gz RZEBXUXLOMJMLR-UHFFFAOYSA-N 1 2 297.333 2.428 20 30 CEEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cccc(C#N)c1F ZINC000774567204 646862549 /nfs/dbraw/zinc/86/25/49/646862549.db2.gz RZEBXUXLOMJMLR-UHFFFAOYSA-N 1 2 297.333 2.428 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000775341397 646943034 /nfs/dbraw/zinc/94/30/34/646943034.db2.gz MGRFWFWBWGXTHT-AAEUAGOBSA-N 1 2 276.405 2.292 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCc2ccccn2)ccc1F ZINC000120195635 647087033 /nfs/dbraw/zinc/08/70/33/647087033.db2.gz DQQAASIMUQJCID-UHFFFAOYSA-N 1 2 259.284 2.366 20 30 CEEDLO Clc1ccnc(N=NC2C[NH+]3CCC2CC3)c1 ZINC000777906669 647189792 /nfs/dbraw/zinc/18/97/92/647189792.db2.gz ZNCDKENDUWLHBT-UHFFFAOYSA-N 1 2 250.733 2.229 20 30 CEEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865427517 647286906 /nfs/dbraw/zinc/28/69/06/647286906.db2.gz USFIORCLGYSMLJ-UHFFFAOYSA-N 1 2 295.289 2.288 20 30 CEEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000779878239 647368154 /nfs/dbraw/zinc/36/81/54/647368154.db2.gz CDTDHFWECSZHLH-ZIAGYGMSSA-N 1 2 275.396 2.361 20 30 CEEDLO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780558618 647444942 /nfs/dbraw/zinc/44/49/42/647444942.db2.gz RSMCHYRMHPFLOO-UHFFFAOYSA-N 1 2 296.161 2.283 20 30 CEEDLO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cccc(C#N)c1O ZINC000866268383 647707372 /nfs/dbraw/zinc/70/73/72/647707372.db2.gz UPMGUISKPVYSFL-GIPWTMENSA-N 1 2 294.420 2.462 20 30 CEEDLO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866271501 647709468 /nfs/dbraw/zinc/70/94/68/647709468.db2.gz MHLVYYVPROQJJX-PWSUYJOCSA-N 1 2 280.393 2.028 20 30 CEEDLO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866280843 647715332 /nfs/dbraw/zinc/71/53/32/647715332.db2.gz DETDHCVFVPRRCE-RYUDHWBXSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C#N)c1O ZINC000866299981 647723212 /nfs/dbraw/zinc/72/32/12/647723212.db2.gz QJNFZPSLBWQVJB-QMTHXVAHSA-N 1 2 260.337 2.075 20 30 CEEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(F)cc2)s1 ZINC000784048929 647793713 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ZINC000791391794 648515830 /nfs/dbraw/zinc/51/58/30/648515830.db2.gz OZRPUKDJNDRVKT-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)c(F)c1 ZINC000791391794 648515832 /nfs/dbraw/zinc/51/58/32/648515832.db2.gz OZRPUKDJNDRVKT-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792280438 648634704 /nfs/dbraw/zinc/63/47/04/648634704.db2.gz PKCDFRUKGSGPGV-JSGCOSHPSA-N 1 2 262.353 2.098 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792280438 648634705 /nfs/dbraw/zinc/63/47/05/648634705.db2.gz PKCDFRUKGSGPGV-JSGCOSHPSA-N 1 2 262.353 2.098 20 30 CEEDLO Cc1ccc2[nH+]cc(CN=Nc3ncncc3F)n2c1 ZINC000793212095 648724553 /nfs/dbraw/zinc/72/45/53/648724553.db2.gz UMLJODJVWCKCMV-UHFFFAOYSA-N 1 2 270.271 2.018 20 30 CEEDLO C=CC[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccncc1 ZINC000793519720 648768629 /nfs/dbraw/zinc/76/86/29/648768629.db2.gz USILDGXZNOOHQD-OAHLLOKOSA-N 1 2 284.363 2.181 20 30 CEEDLO C=CCn1nnn(C[N@H+](CC)CC2CCC2)c1=S ZINC000794688784 648903801 /nfs/dbraw/zinc/90/38/01/648903801.db2.gz RCJWNTFDKHPSCA-UHFFFAOYSA-N 1 2 267.402 2.075 20 30 CEEDLO C=CCn1nnn(C[N@@H+](CC)CC2CCC2)c1=S ZINC000794688784 648903803 /nfs/dbraw/zinc/90/38/03/648903803.db2.gz RCJWNTFDKHPSCA-UHFFFAOYSA-N 1 2 267.402 2.075 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Br)cn1 ZINC000871923153 649217189 /nfs/dbraw/zinc/21/71/89/649217189.db2.gz JNZOHLQFLUHNIS-JTQLQIEISA-N 1 2 293.168 2.377 20 30 CEEDLO CCCON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872384147 649375484 /nfs/dbraw/zinc/37/54/84/649375484.db2.gz MKWFFNIPNGUITQ-UHFFFAOYSA-N 1 2 292.379 2.158 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2sccc2C(F)F)CC1 ZINC000874264025 649759452 /nfs/dbraw/zinc/75/94/52/649759452.db2.gz PJDUYBNPMFMIBO-UHFFFAOYSA-N 1 2 298.358 2.467 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1)C(=O)OC ZINC000878598151 651137296 /nfs/dbraw/zinc/13/72/96/651137296.db2.gz YDBIJZBYIXCTSN-JYJNAYRXSA-N 1 2 291.391 2.452 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccnc(Cl)c2)C[C@@H](C)N1CC#N ZINC000878775034 651183572 /nfs/dbraw/zinc/18/35/72/651183572.db2.gz ZDZJOSBLGRYJHR-VXGBXAGGSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1CCCCCCC1 ZINC000878816099 651191714 /nfs/dbraw/zinc/19/17/14/651191714.db2.gz CPPQHYPDNYJUGQ-GFCCVEGCSA-N 1 2 251.374 2.107 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000878949340 651216975 /nfs/dbraw/zinc/21/69/75/651216975.db2.gz CURXSFOZRYWMCU-HNNXBMFYSA-N 1 2 275.348 2.171 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2cc(OC)ccc2C1 ZINC000878949340 651216977 /nfs/dbraw/zinc/21/69/77/651216977.db2.gz CURXSFOZRYWMCU-HNNXBMFYSA-N 1 2 275.348 2.171 20 30 CEEDLO C#C[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)C(C)(C)C ZINC000879073258 651239364 /nfs/dbraw/zinc/23/93/64/651239364.db2.gz AFUZGNNWFTYLGL-ZDUSSCGKSA-N 1 2 259.353 2.290 20 30 CEEDLO C=CC[C@H](C)[NH2+][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000879178339 651255536 /nfs/dbraw/zinc/25/55/36/651255536.db2.gz OTIRCXBLKYFAAD-SWLSCSKDSA-N 1 2 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C=C(C)C[NH+]1CC(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001031363425 807933948 /nfs/dbraw/zinc/93/39/48/807933948.db2.gz TUKYNIJFJASBBU-UHFFFAOYSA-N 1 2 269.348 2.158 20 30 CEEDLO C=CC(C)(C)CC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094604410 815160963 /nfs/dbraw/zinc/16/09/63/815160963.db2.gz MFGMJFSVOAUQPN-UHFFFAOYSA-N 1 2 276.384 2.306 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC001031413111 807950327 /nfs/dbraw/zinc/95/03/27/807950327.db2.gz PMFKINXGBONBOQ-GFCCVEGCSA-N 1 2 290.794 2.267 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001031436682 807955935 /nfs/dbraw/zinc/95/59/35/807955935.db2.gz MLMJGONQMCWUJF-CQSZACIVSA-N 1 2 275.396 2.042 20 30 CEEDLO N#CC1CCC(C[N@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC001119837923 815163713 /nfs/dbraw/zinc/16/37/13/815163713.db2.gz OVAKSRABZYSGMM-HTAVTVPLSA-N 1 2 258.312 2.018 20 30 CEEDLO N#CC1CCC(C[N@@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC001119837923 815163715 /nfs/dbraw/zinc/16/37/15/815163715.db2.gz OVAKSRABZYSGMM-HTAVTVPLSA-N 1 2 258.312 2.018 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001032105399 808290458 /nfs/dbraw/zinc/29/04/58/808290458.db2.gz MMRWPDNCOXJFHI-CYBMUJFWSA-N 1 2 282.815 2.367 20 30 CEEDLO C=C(C)CCC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001120164790 815202203 /nfs/dbraw/zinc/20/22/03/815202203.db2.gz RBCLTKAWYUBPRF-LBPRGKRZSA-N 1 2 276.384 2.400 20 30 CEEDLO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032416642 808598883 /nfs/dbraw/zinc/59/88/83/808598883.db2.gz KLQATCFLQLKMOA-DCAQKATOSA-N 1 2 294.292 2.138 20 30 CEEDLO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032416642 808598891 /nfs/dbraw/zinc/59/88/91/808598891.db2.gz KLQATCFLQLKMOA-DCAQKATOSA-N 1 2 294.292 2.138 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000355548334 808604764 /nfs/dbraw/zinc/60/47/64/808604764.db2.gz RKAVBECITFUHNR-IUODEOHRSA-N 1 2 274.368 2.066 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001032518077 808678671 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252.273 2.015 20 30 CEEDLO C#Cc1cc(Nc2cnn([C@H]3CCCCO3)c2)cc[nH+]1 ZINC001174600063 816058641 /nfs/dbraw/zinc/05/86/41/816058641.db2.gz QYGLWPWPYVLNIF-OAHLLOKOSA-N 1 2 268.320 2.124 20 30 CEEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](CO)C1 ZINC001139689249 816085710 /nfs/dbraw/zinc/08/57/10/816085710.db2.gz GVIVEAPCHSHTDG-NSHDSACASA-N 1 2 264.756 2.416 20 30 CEEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC001139689249 816085713 /nfs/dbraw/zinc/08/57/13/816085713.db2.gz GVIVEAPCHSHTDG-NSHDSACASA-N 1 2 264.756 2.416 20 30 CEEDLO COCCn1cc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001139781956 816112838 /nfs/dbraw/zinc/11/28/38/816112838.db2.gz UAKWIMIGQXMAPN-UHFFFAOYSA-N 1 2 276.384 2.188 20 30 CEEDLO COCCn1cc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001139781956 816112842 /nfs/dbraw/zinc/11/28/42/816112842.db2.gz UAKWIMIGQXMAPN-UHFFFAOYSA-N 1 2 276.384 2.188 20 30 CEEDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139875770 816133728 /nfs/dbraw/zinc/13/37/28/816133728.db2.gz DZMSGEJUVMZLQW-AWEZNQCLSA-N 1 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CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@](F)(C#N)C1 ZINC000588204978 345043156 /nfs/dbraw/zinc/04/31/56/345043156.db2.gz XQCBUPVJTPMLBP-AWEZNQCLSA-N 1 2 270.348 2.293 20 30 CEEDLO N#Cc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccn1 ZINC000589310309 345076495 /nfs/dbraw/zinc/07/64/95/345076495.db2.gz QWNCFMFWGDWZCH-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccn1 ZINC000589310309 345076498 /nfs/dbraw/zinc/07/64/98/345076498.db2.gz QWNCFMFWGDWZCH-AWEZNQCLSA-N 1 2 287.754 2.250 20 30 CEEDLO CCO[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000589494180 345084480 /nfs/dbraw/zinc/08/44/80/345084480.db2.gz CGLLJTJJFPERGO-LLVKDONJSA-N 1 2 251.355 2.016 20 30 CEEDLO CCO[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000589494180 345084482 /nfs/dbraw/zinc/08/44/82/345084482.db2.gz CGLLJTJJFPERGO-LLVKDONJSA-N 1 2 251.355 2.016 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC1CCCCC1 ZINC000589827843 345100197 /nfs/dbraw/zinc/10/01/97/345100197.db2.gz QKLIXNOWDUIUHT-HNNXBMFYSA-N 1 2 265.401 2.307 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1cc(C)c([N+](=O)[O-])cc1C#N)CC2 ZINC000591152996 345226239 /nfs/dbraw/zinc/22/62/39/345226239.db2.gz AGSIMZDTGNPZGT-UHFFFAOYSA-N 1 2 297.318 2.300 20 30 CEEDLO N#Cc1cnccc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000592059038 345316956 /nfs/dbraw/zinc/31/69/56/345316956.db2.gz UDCDMXFIKGZTCJ-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C[N@H+](Cc1ccncc1C#N)[C@@H](CO)c1ccccc1 ZINC000592066606 345317710 /nfs/dbraw/zinc/31/77/10/345317710.db2.gz AHBRBTQSRRDZOI-INIZCTEOSA-N 1 2 267.332 2.119 20 30 CEEDLO C[N@@H+](Cc1ccncc1C#N)[C@@H](CO)c1ccccc1 ZINC000592066606 345317712 /nfs/dbraw/zinc/31/77/12/345317712.db2.gz AHBRBTQSRRDZOI-INIZCTEOSA-N 1 2 267.332 2.119 20 30 CEEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592072929 345319376 /nfs/dbraw/zinc/31/93/76/345319376.db2.gz BVJUIVNNTSHCCT-MRXNPFEDSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592072929 345319380 /nfs/dbraw/zinc/31/93/80/345319380.db2.gz BVJUIVNNTSHCCT-MRXNPFEDSA-N 1 2 281.363 2.332 20 30 CEEDLO C[S@](=O)C[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592097222 345321213 /nfs/dbraw/zinc/32/12/13/345321213.db2.gz HHKGMLQLBGXECI-KKSFZXQISA-N 1 2 299.399 2.163 20 30 CEEDLO COc1nc(C)cc(C)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000591736181 345276562 /nfs/dbraw/zinc/27/65/62/345276562.db2.gz CEFZUAQJFWOBMT-CYBMUJFWSA-N 1 2 272.352 2.240 20 30 CEEDLO N#CCC[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000591758893 345277692 /nfs/dbraw/zinc/27/76/92/345277692.db2.gz RMBQJMIETQFUDD-LBPRGKRZSA-N 1 2 281.718 2.088 20 30 CEEDLO Cc1cc(N2CCC(c3cnn(C)c3)CC2)c(C#N)c[nH+]1 ZINC000591818722 345283787 /nfs/dbraw/zinc/28/37/87/345283787.db2.gz YTCKOAFCIPXTNS-UHFFFAOYSA-N 1 2 281.363 2.379 20 30 CEEDLO Cc1cc(NCC(C)(C)c2ccncc2)c(C#N)c[nH+]1 ZINC000591821801 345285322 /nfs/dbraw/zinc/28/53/22/345285322.db2.gz ALNWAIYGVUWDMK-UHFFFAOYSA-N 1 2 266.348 2.468 20 30 CEEDLO CCCn1c(C[N@@H+]2CC[C@](O)(CC#N)C2)nc2ccccc21 ZINC000592523395 345366315 /nfs/dbraw/zinc/36/63/15/345366315.db2.gz ZOGSIRFFSFKRNN-QGZVFWFLSA-N 1 2 298.390 2.297 20 30 CEEDLO CCCn1c(C[N@H+]2CC[C@](O)(CC#N)C2)nc2ccccc21 ZINC000592523395 345366317 /nfs/dbraw/zinc/36/63/17/345366317.db2.gz ZOGSIRFFSFKRNN-QGZVFWFLSA-N 1 2 298.390 2.297 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000592147503 345329585 /nfs/dbraw/zinc/32/95/85/345329585.db2.gz PHYQUDCJFCXQCU-AWEZNQCLSA-N 1 2 289.360 2.254 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000592147503 345329588 /nfs/dbraw/zinc/32/95/88/345329588.db2.gz PHYQUDCJFCXQCU-AWEZNQCLSA-N 1 2 289.360 2.254 20 30 CEEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150365 345330063 /nfs/dbraw/zinc/33/00/63/345330063.db2.gz FFEHKJRDTPNSRC-ABAIWWIYSA-N 1 2 277.368 2.384 20 30 CEEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150365 345330066 /nfs/dbraw/zinc/33/00/66/345330066.db2.gz FFEHKJRDTPNSRC-ABAIWWIYSA-N 1 2 277.368 2.384 20 30 CEEDLO COc1cc(Cl)ccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152948 345330905 /nfs/dbraw/zinc/33/09/05/345330905.db2.gz GTJQZQBTFKDKMD-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1cc(Cl)ccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152948 345330907 /nfs/dbraw/zinc/33/09/07/345330907.db2.gz GTJQZQBTFKDKMD-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO CC(C)(C)OC(=O)C[N@H+](CCCC#N)CC1CC1 ZINC000593074264 345433720 /nfs/dbraw/zinc/43/37/20/345433720.db2.gz FZPYUEBFEZFGPG-UHFFFAOYSA-N 1 2 252.358 2.344 20 30 CEEDLO CC(C)(C)OC(=O)C[N@@H+](CCCC#N)CC1CC1 ZINC000593074264 345433722 /nfs/dbraw/zinc/43/37/22/345433722.db2.gz FZPYUEBFEZFGPG-UHFFFAOYSA-N 1 2 252.358 2.344 20 30 CEEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000593534542 345504582 /nfs/dbraw/zinc/50/45/82/345504582.db2.gz CQEKXHYWXFMQPL-CQSZACIVSA-N 1 2 289.354 2.020 20 30 CEEDLO CCc1nnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)[nH]1 ZINC000594032839 345569830 /nfs/dbraw/zinc/56/98/30/345569830.db2.gz ADGGBAVPJGVYRL-UHFFFAOYSA-N 1 2 281.363 2.408 20 30 CEEDLO Cc1nnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594033227 345569876 /nfs/dbraw/zinc/56/98/76/345569876.db2.gz YBDIHAQNPZHVDU-UHFFFAOYSA-N 1 2 268.320 2.419 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000593615018 345513187 /nfs/dbraw/zinc/51/31/87/345513187.db2.gz FGGDCYCIOWFKHI-GFCCVEGCSA-N 1 2 255.325 2.049 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594400099 345621307 /nfs/dbraw/zinc/62/13/07/345621307.db2.gz OZJDIJZHJUVZCF-NSHDSACASA-N 1 2 280.331 2.002 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594400099 345621308 /nfs/dbraw/zinc/62/13/08/345621308.db2.gz OZJDIJZHJUVZCF-NSHDSACASA-N 1 2 280.331 2.002 20 30 CEEDLO N#Cc1ccc2ncc(C[NH+]3CC4(CC4(F)F)C3)n2c1 ZINC000594608551 345660740 /nfs/dbraw/zinc/66/07/40/345660740.db2.gz BFOSDTZKIMUWGW-UHFFFAOYSA-N 1 2 274.274 2.047 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN3CC4(CC4(F)F)C3)n2c1 ZINC000594608551 345660741 /nfs/dbraw/zinc/66/07/41/345660741.db2.gz BFOSDTZKIMUWGW-UHFFFAOYSA-N 1 2 274.274 2.047 20 30 CEEDLO C=CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000594708627 345675868 /nfs/dbraw/zinc/67/58/68/345675868.db2.gz AJTUFHASAHXLFF-ZDUSSCGKSA-N 1 2 251.301 2.076 20 30 CEEDLO N#Cc1cccc(C[NH2+]Cc2cn(C3CCC3)nn2)c1 ZINC000594915319 345700121 /nfs/dbraw/zinc/70/01/21/345700121.db2.gz SKEZTZOQQYMVAW-UHFFFAOYSA-N 1 2 267.336 2.165 20 30 CEEDLO COc1cccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1Cl ZINC000595559903 345812807 /nfs/dbraw/zinc/81/28/07/345812807.db2.gz WMSZVICLGUXVSS-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1cccc(C[N@H+]2CC[C@](O)(CC#N)C2)c1Cl ZINC000595559903 345812808 /nfs/dbraw/zinc/81/28/08/345812808.db2.gz WMSZVICLGUXVSS-CQSZACIVSA-N 1 2 280.755 2.199 20 30 CEEDLO C[C@H](C#N)[N@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000595709098 345856679 /nfs/dbraw/zinc/85/66/79/345856679.db2.gz CWVBWBILAKGILW-CYBMUJFWSA-N 1 2 261.369 2.463 20 30 CEEDLO C[C@H](C#N)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000595709098 345856682 /nfs/dbraw/zinc/85/66/82/345856682.db2.gz CWVBWBILAKGILW-CYBMUJFWSA-N 1 2 261.369 2.463 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595613900 345827778 /nfs/dbraw/zinc/82/77/78/345827778.db2.gz FQUPKQWJRSCSTM-GFCCVEGCSA-N 1 2 282.347 2.461 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595613900 345827782 /nfs/dbraw/zinc/82/77/82/345827782.db2.gz FQUPKQWJRSCSTM-GFCCVEGCSA-N 1 2 282.347 2.461 20 30 CEEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613840 345827818 /nfs/dbraw/zinc/82/78/18/345827818.db2.gz IKFOAOXMGQKCCD-NEPJUHHUSA-N 1 2 252.358 2.342 20 30 CEEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613840 345827820 /nfs/dbraw/zinc/82/78/20/345827820.db2.gz IKFOAOXMGQKCCD-NEPJUHHUSA-N 1 2 252.358 2.342 20 30 CEEDLO Cc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ncn1 ZINC000595630134 345832459 /nfs/dbraw/zinc/83/24/59/345832459.db2.gz UDWFBHWBPBVSJX-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000595658838 345840346 /nfs/dbraw/zinc/84/03/46/345840346.db2.gz WXVRTGFVKFXHPX-SFHVURJKSA-N 1 2 299.418 2.408 20 30 CEEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000595658838 345840348 /nfs/dbraw/zinc/84/03/48/345840348.db2.gz WXVRTGFVKFXHPX-SFHVURJKSA-N 1 2 299.418 2.408 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833265 345890054 /nfs/dbraw/zinc/89/00/54/345890054.db2.gz BSPFXVYSMZAKFO-UKRRQHHQSA-N 1 2 263.385 2.013 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833265 345890056 /nfs/dbraw/zinc/89/00/56/345890056.db2.gz BSPFXVYSMZAKFO-UKRRQHHQSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838645 345894023 /nfs/dbraw/zinc/89/40/23/345894023.db2.gz XJXLCZLOKVAHGY-FMKPAKJESA-N 1 2 277.412 2.259 20 30 CEEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838645 345894027 /nfs/dbraw/zinc/89/40/27/345894027.db2.gz XJXLCZLOKVAHGY-FMKPAKJESA-N 1 2 277.412 2.259 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000595839810 345894842 /nfs/dbraw/zinc/89/48/42/345894842.db2.gz LUKYOTYYQUYVNO-RDJZCZTQSA-N 1 2 283.375 2.418 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000595839810 345894844 /nfs/dbraw/zinc/89/48/44/345894844.db2.gz LUKYOTYYQUYVNO-RDJZCZTQSA-N 1 2 283.375 2.418 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H](C)C#N ZINC000595811387 345881765 /nfs/dbraw/zinc/88/17/65/345881765.db2.gz BBWIFNUIUDZIIJ-NSHDSACASA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H](C)C#N ZINC000595811387 345881768 /nfs/dbraw/zinc/88/17/68/345881768.db2.gz BBWIFNUIUDZIIJ-NSHDSACASA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@H+](CCCOc1ccc2c(c1)OCO2)[C@@H](C)C#N ZINC000595814254 345883862 /nfs/dbraw/zinc/88/38/62/345883862.db2.gz RSTBGUVBSLYVCY-LBPRGKRZSA-N 1 2 276.336 2.418 20 30 CEEDLO CC[N@@H+](CCCOc1ccc2c(c1)OCO2)[C@@H](C)C#N ZINC000595814254 345883866 /nfs/dbraw/zinc/88/38/66/345883866.db2.gz RSTBGUVBSLYVCY-LBPRGKRZSA-N 1 2 276.336 2.418 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C#N ZINC000595818179 345885185 /nfs/dbraw/zinc/88/51/85/345885185.db2.gz SHIMBEPWRVRYHQ-LLVKDONJSA-N 1 2 290.323 2.157 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C#N ZINC000595818179 345885188 /nfs/dbraw/zinc/88/51/88/345885188.db2.gz SHIMBEPWRVRYHQ-LLVKDONJSA-N 1 2 290.323 2.157 20 30 CEEDLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844575 345897192 /nfs/dbraw/zinc/89/71/92/345897192.db2.gz VDOVHXFRUZJUGC-TZMCWYRMSA-N 1 2 252.358 2.200 20 30 CEEDLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844575 345897194 /nfs/dbraw/zinc/89/71/94/345897194.db2.gz VDOVHXFRUZJUGC-TZMCWYRMSA-N 1 2 252.358 2.200 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595868466 345901874 /nfs/dbraw/zinc/90/18/74/345901874.db2.gz WULIXABEBMTQQM-QMTHXVAHSA-N 1 2 279.290 2.031 20 30 CEEDLO CCc1nc(C#N)cc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)n1 ZINC000596003294 345922037 /nfs/dbraw/zinc/92/20/37/345922037.db2.gz QPGQXMRJNZJZLT-CQSZACIVSA-N 1 2 296.378 2.232 20 30 CEEDLO N#Cc1cnnc(Nc2ccc(NC3CCCC3)[nH+]c2)c1 ZINC000596107895 345941294 /nfs/dbraw/zinc/94/12/94/345941294.db2.gz GHZHRHLGXDUWQP-UHFFFAOYSA-N 1 2 280.335 2.263 20 30 CEEDLO Cc1c(Cl)cnc(N2CCc3[nH+]c[nH]c3C2)c1C#N ZINC000596237119 345976943 /nfs/dbraw/zinc/97/69/43/345976943.db2.gz QDUONRINHYWZIA-UHFFFAOYSA-N 1 2 273.727 2.201 20 30 CEEDLO Cc1ccc(CCNc2nc(C#N)c(Cl)s2)[nH+]c1 ZINC000596260265 345983404 /nfs/dbraw/zinc/98/34/04/345983404.db2.gz DNJJLBLENJKSCC-UHFFFAOYSA-N 1 2 278.768 2.448 20 30 CEEDLO CC(C)c1nc(N2CCC[C@@H](CC#N)C2)nc(N(C)C)[nH+]1 ZINC000596330220 346001188 /nfs/dbraw/zinc/00/11/88/346001188.db2.gz RCKWDIFRUSFELE-LBPRGKRZSA-N 1 2 288.399 2.191 20 30 CEEDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC000596330220 346001189 /nfs/dbraw/zinc/00/11/89/346001189.db2.gz RCKWDIFRUSFELE-LBPRGKRZSA-N 1 2 288.399 2.191 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000596586330 346060232 /nfs/dbraw/zinc/06/02/32/346060232.db2.gz XQDZDPKQKNYIOJ-HNNXBMFYSA-N 1 2 295.346 2.110 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000596586330 346060233 /nfs/dbraw/zinc/06/02/33/346060233.db2.gz XQDZDPKQKNYIOJ-HNNXBMFYSA-N 1 2 295.346 2.110 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596744734 346083786 /nfs/dbraw/zinc/08/37/86/346083786.db2.gz UGWAUFOKLJBCEC-CQSZACIVSA-N 1 2 294.358 2.045 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596744734 346083787 /nfs/dbraw/zinc/08/37/87/346083787.db2.gz UGWAUFOKLJBCEC-CQSZACIVSA-N 1 2 294.358 2.045 20 30 CEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596744696 346083797 /nfs/dbraw/zinc/08/37/97/346083797.db2.gz SWLAXHZWSNUKSN-HUUCEWRRSA-N 1 2 294.358 2.054 20 30 CEEDLO Cc1cc[nH+]cc1Cc1noc(CSCC#N)n1 ZINC000596617254 346065790 /nfs/dbraw/zinc/06/57/90/346065790.db2.gz RLMRKVAGSWKEMQ-UHFFFAOYSA-N 1 2 260.322 2.121 20 30 CEEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597117923 346130707 /nfs/dbraw/zinc/13/07/07/346130707.db2.gz TVNJNWPZCWQIIA-GFCCVEGCSA-N 1 2 272.348 2.235 20 30 CEEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597117923 346130708 /nfs/dbraw/zinc/13/07/08/346130708.db2.gz TVNJNWPZCWQIIA-GFCCVEGCSA-N 1 2 272.348 2.235 20 30 CEEDLO Cc1cn2ccc(NC(=O)NCCCC#N)cc2[nH+]1 ZINC000597131253 346132787 /nfs/dbraw/zinc/13/27/87/346132787.db2.gz VEUFBCUSVOORCZ-UHFFFAOYSA-N 1 2 257.297 2.068 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178800643 232380537 /nfs/dbraw/zinc/38/05/37/232380537.db2.gz QVQVRUPJAYRJDE-UHFFFAOYSA-N 1 2 290.326 2.444 20 30 CEEDLO N#CCC1C[NH+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000597193601 346145738 /nfs/dbraw/zinc/14/57/38/346145738.db2.gz IBLNUBSLYPBLEG-UHFFFAOYSA-N 1 2 252.321 2.218 20 30 CEEDLO N#CCC1C[NH+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000597203562 346148222 /nfs/dbraw/zinc/14/82/22/346148222.db2.gz KTUOIBBNZQYADQ-UHFFFAOYSA-N 1 2 266.247 2.354 20 30 CEEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000597228268 346155020 /nfs/dbraw/zinc/15/50/20/346155020.db2.gz CSBPNISLFNLWGH-INIZCTEOSA-N 1 2 281.363 2.218 20 30 CEEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2cccnc2)n1 ZINC000597228268 346155022 /nfs/dbraw/zinc/15/50/22/346155022.db2.gz CSBPNISLFNLWGH-INIZCTEOSA-N 1 2 281.363 2.218 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000597230903 346155901 /nfs/dbraw/zinc/15/59/01/346155901.db2.gz UUIPVMBYPJPSHU-HNNXBMFYSA-N 1 2 267.336 2.207 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000597230903 346155903 /nfs/dbraw/zinc/15/59/03/346155903.db2.gz UUIPVMBYPJPSHU-HNNXBMFYSA-N 1 2 267.336 2.207 20 30 CEEDLO N#CC1(CC(=O)Nc2cc[nH+]cc2O)CCCCC1 ZINC000597453807 346188022 /nfs/dbraw/zinc/18/80/22/346188022.db2.gz PMHXOJISEDHLEK-UHFFFAOYSA-N 1 2 259.309 2.012 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597855369 346238714 /nfs/dbraw/zinc/23/87/14/346238714.db2.gz AHKCIAIZWLGGSR-UHFFFAOYSA-N 1 2 280.331 2.237 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597855369 346238717 /nfs/dbraw/zinc/23/87/17/346238717.db2.gz AHKCIAIZWLGGSR-UHFFFAOYSA-N 1 2 280.331 2.237 20 30 CEEDLO CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H](C)C#N ZINC000598351551 346334932 /nfs/dbraw/zinc/33/49/32/346334932.db2.gz DLNPKORLZVENFD-CYBMUJFWSA-N 1 2 282.347 2.306 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)C[C@@H](C)C#N)n2c1CCCC2 ZINC000598679187 346399786 /nfs/dbraw/zinc/39/97/86/346399786.db2.gz QLBPDMWBQDGWLD-LBPRGKRZSA-N 1 2 289.379 2.202 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)C#N)n2c1CCCC2 ZINC000598679187 346399787 /nfs/dbraw/zinc/39/97/87/346399787.db2.gz QLBPDMWBQDGWLD-LBPRGKRZSA-N 1 2 289.379 2.202 20 30 CEEDLO Cc1cc[nH+]c(C)c1NC(=O)CC1(C#N)CCOCC1 ZINC000598847926 346427900 /nfs/dbraw/zinc/42/79/00/346427900.db2.gz RDYPWNRRIALNHJ-UHFFFAOYSA-N 1 2 273.336 2.347 20 30 CEEDLO Cc1cc(C2([NH2+]Cc3ccc(C#N)o3)CCOCC2)on1 ZINC000599020272 346447529 /nfs/dbraw/zinc/44/75/29/346447529.db2.gz KRIRMHVFVDYIIR-UHFFFAOYSA-N 1 2 287.319 2.243 20 30 CEEDLO CCCN(CC(F)(F)F)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000599277997 346490175 /nfs/dbraw/zinc/49/01/75/346490175.db2.gz UITXXXAEWIIMMB-NSHDSACASA-N 1 2 293.333 2.269 20 30 CEEDLO CCCN(CC(F)(F)F)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000599277997 346490177 /nfs/dbraw/zinc/49/01/77/346490177.db2.gz UITXXXAEWIIMMB-NSHDSACASA-N 1 2 293.333 2.269 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)CCCn1cc[nH+]c1 ZINC000623276334 349971253 /nfs/dbraw/zinc/97/12/53/349971253.db2.gz LTJKQQLOKUZDAL-UHFFFAOYSA-N 1 2 275.274 2.240 20 30 CEEDLO Cn1cnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678156 346562434 /nfs/dbraw/zinc/56/24/34/346562434.db2.gz PDDIGJYXSFCSDC-UHFFFAOYSA-N 1 2 266.348 2.044 20 30 CEEDLO Cn1cnc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678156 346562437 /nfs/dbraw/zinc/56/24/37/346562437.db2.gz PDDIGJYXSFCSDC-UHFFFAOYSA-N 1 2 266.348 2.044 20 30 CEEDLO COC(=O)[C@@]1([NH2+]CCCC#N)CCCC(C)(C)C1 ZINC000599556587 346537233 /nfs/dbraw/zinc/53/72/33/346537233.db2.gz NLUFQMBQCCKNAB-CQSZACIVSA-N 1 2 252.358 2.392 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000602612076 347101913 /nfs/dbraw/zinc/10/19/13/347101913.db2.gz YWQQUELEEWYQRW-CQSZACIVSA-N 1 2 281.306 2.369 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000602612076 347101917 /nfs/dbraw/zinc/10/19/17/347101917.db2.gz YWQQUELEEWYQRW-CQSZACIVSA-N 1 2 281.306 2.369 20 30 CEEDLO Cc1c[nH]c(CN2CCN(c3ccc(C#N)cc3F)CC2)[nH+]1 ZINC000600114518 346600106 /nfs/dbraw/zinc/60/01/06/346600106.db2.gz NVYFZOIEBOQTGB-UHFFFAOYSA-N 1 2 299.353 2.051 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000600152505 346607697 /nfs/dbraw/zinc/60/76/97/346607697.db2.gz BALZICAEIKLZLF-ZBFHGGJFSA-N 1 2 291.391 2.432 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000600152504 346607723 /nfs/dbraw/zinc/60/77/23/346607723.db2.gz BALZICAEIKLZLF-HOCLYGCPSA-N 1 2 291.391 2.432 20 30 CEEDLO Cc1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000600179350 346616789 /nfs/dbraw/zinc/61/67/89/346616789.db2.gz TVFLQHRJHKJYPX-UHFFFAOYSA-N 1 2 288.376 2.238 20 30 CEEDLO Cc1ccc(CCNc2cc(C#N)nc(C3CC3)n2)[nH+]c1 ZINC000601172721 346777076 /nfs/dbraw/zinc/77/70/76/346777076.db2.gz HEBUGIOJIXUJMP-UHFFFAOYSA-N 1 2 279.347 2.006 20 30 CEEDLO N#C[C@]1(F)CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602628584 347111528 /nfs/dbraw/zinc/11/15/28/347111528.db2.gz HICPGZFNBMIGRB-GDBMZVCRSA-N 1 2 273.355 2.450 20 30 CEEDLO N#C[C@]1(F)CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602628584 347111530 /nfs/dbraw/zinc/11/15/30/347111530.db2.gz HICPGZFNBMIGRB-GDBMZVCRSA-N 1 2 273.355 2.450 20 30 CEEDLO Cc1cc(N[C@H](C2CCC2)[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000601250328 346801282 /nfs/dbraw/zinc/80/12/82/346801282.db2.gz LMZDQGNZTIKBKD-JKSUJKDBSA-N 1 2 271.364 2.443 20 30 CEEDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C[C@@H](C)CCC#N ZINC000602636569 347116986 /nfs/dbraw/zinc/11/69/86/347116986.db2.gz JNHZOEVNBQQGHB-ZFWWWQNUSA-N 1 2 289.379 2.085 20 30 CEEDLO COC(=O)Cc1cccc(NC[C@@H](C)CCC#N)[nH+]1 ZINC000602636424 347116995 /nfs/dbraw/zinc/11/69/95/347116995.db2.gz XSMNPVLOJJYQRI-NSHDSACASA-N 1 2 261.325 2.149 20 30 CEEDLO Cn1nc2c(c1C[N@H+](C)CC(C)(C)C#N)CCCC2 ZINC000602676075 347138294 /nfs/dbraw/zinc/13/82/94/347138294.db2.gz QEMAVXIREXOMDO-UHFFFAOYSA-N 1 2 260.385 2.280 20 30 CEEDLO Cn1nc2c(c1C[N@@H+](C)CC(C)(C)C#N)CCCC2 ZINC000602676075 347138298 /nfs/dbraw/zinc/13/82/98/347138298.db2.gz QEMAVXIREXOMDO-UHFFFAOYSA-N 1 2 260.385 2.280 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602682869 347142518 /nfs/dbraw/zinc/14/25/18/347142518.db2.gz SSXNJZXBTOBMHK-STQMWFEESA-N 1 2 282.384 2.015 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602682868 347142604 /nfs/dbraw/zinc/14/26/04/347142604.db2.gz SSXNJZXBTOBMHK-OLZOCXBDSA-N 1 2 282.384 2.015 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000602669847 347133170 /nfs/dbraw/zinc/13/31/70/347133170.db2.gz KUNNYZNXUTUGPR-UHFFFAOYSA-N 1 2 253.305 2.495 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCCc3occc3C2)n1 ZINC000602669847 347133172 /nfs/dbraw/zinc/13/31/72/347133172.db2.gz KUNNYZNXUTUGPR-UHFFFAOYSA-N 1 2 253.305 2.495 20 30 CEEDLO N#CCC1(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000602783785 347197401 /nfs/dbraw/zinc/19/74/01/347197401.db2.gz GBSNAKZESDATSB-OAHLLOKOSA-N 1 2 272.348 2.459 20 30 CEEDLO N#CCC1(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000602783785 347197403 /nfs/dbraw/zinc/19/74/03/347197403.db2.gz GBSNAKZESDATSB-OAHLLOKOSA-N 1 2 272.348 2.459 20 30 CEEDLO CCn1nc(C)c(C[N@H+](C)Cc2cccc(C#N)n2)c1C ZINC000602726868 347173075 /nfs/dbraw/zinc/17/30/75/347173075.db2.gz CNQUMAIVCDBHGA-UHFFFAOYSA-N 1 2 283.379 2.419 20 30 CEEDLO CCn1nc(C)c(C[N@@H+](C)Cc2cccc(C#N)n2)c1C ZINC000602726868 347173080 /nfs/dbraw/zinc/17/30/80/347173080.db2.gz CNQUMAIVCDBHGA-UHFFFAOYSA-N 1 2 283.379 2.419 20 30 CEEDLO CC(C)c1noc([C@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602859441 347226859 /nfs/dbraw/zinc/22/68/59/347226859.db2.gz YRHPXMFIQIGYHB-XQQFMLRXSA-N 1 2 291.399 2.172 20 30 CEEDLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n1 ZINC000602859441 347226862 /nfs/dbraw/zinc/22/68/62/347226862.db2.gz YRHPXMFIQIGYHB-XQQFMLRXSA-N 1 2 291.399 2.172 20 30 CEEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602860204 347227941 /nfs/dbraw/zinc/22/79/41/347227941.db2.gz BVVVTBCMHFVFTK-KBPBESRZSA-N 1 2 273.380 2.234 20 30 CEEDLO CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000602861756 347228796 /nfs/dbraw/zinc/22/87/96/347228796.db2.gz IOERMQHQALKPDD-CYBMUJFWSA-N 1 2 273.380 2.464 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCCc2ccccc21 ZINC000602861668 347229285 /nfs/dbraw/zinc/22/92/85/347229285.db2.gz HDACHWUNYQIXPQ-CHWSQXEVSA-N 1 2 271.364 2.246 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)cc1F ZINC000602862930 347230343 /nfs/dbraw/zinc/23/03/43/347230343.db2.gz MYKPSBANJLLZMS-WDEREUQCSA-N 1 2 263.316 2.353 20 30 CEEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602865435 347230507 /nfs/dbraw/zinc/23/05/07/347230507.db2.gz YDAIEHXQNRGJQV-OLZOCXBDSA-N 1 2 289.379 2.106 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000602869869 347232188 /nfs/dbraw/zinc/23/21/88/347232188.db2.gz QAJOIJQHWUEPMD-MYMJJRTCSA-N 1 2 290.411 2.198 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccns1 ZINC000602881238 347236994 /nfs/dbraw/zinc/23/69/94/347236994.db2.gz DZLIZZXEDFLMCW-SMDDNHRTSA-N 1 2 294.424 2.018 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000602881238 347236999 /nfs/dbraw/zinc/23/69/99/347236999.db2.gz DZLIZZXEDFLMCW-SMDDNHRTSA-N 1 2 294.424 2.018 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602885394 347237981 /nfs/dbraw/zinc/23/79/81/347237981.db2.gz VHKUICBJLTWVIH-NSHDSACASA-N 1 2 291.317 2.023 20 30 CEEDLO CCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602885394 347237983 /nfs/dbraw/zinc/23/79/83/347237983.db2.gz VHKUICBJLTWVIH-NSHDSACASA-N 1 2 291.317 2.023 20 30 CEEDLO CCn1nc(C)c(C[N@H+](C)C[C@@H](C#N)CCC#N)c1C ZINC000602924048 347248617 /nfs/dbraw/zinc/24/86/17/347248617.db2.gz AVQTWKQLIKWPKS-CQSZACIVSA-N 1 2 273.384 2.395 20 30 CEEDLO CCn1nc(C)c(C[N@@H+](C)C[C@@H](C#N)CCC#N)c1C ZINC000602924048 347248620 /nfs/dbraw/zinc/24/86/20/347248620.db2.gz AVQTWKQLIKWPKS-CQSZACIVSA-N 1 2 273.384 2.395 20 30 CEEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000603127481 347292750 /nfs/dbraw/zinc/29/27/50/347292750.db2.gz GKQNOKXPPTVIIE-LLVKDONJSA-N 1 2 296.334 2.088 20 30 CEEDLO C[N@H+](CC[S@](=O)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976208 347261941 /nfs/dbraw/zinc/26/19/41/347261941.db2.gz MPOHJMVSNAUEFY-MUKKUYKPSA-N 1 2 276.405 2.418 20 30 CEEDLO C[N@@H+](CC[S@](=O)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976208 347261943 /nfs/dbraw/zinc/26/19/43/347261943.db2.gz MPOHJMVSNAUEFY-MUKKUYKPSA-N 1 2 276.405 2.418 20 30 CEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@H]1CCC[C@@H]1C#N ZINC000602976664 347262297 /nfs/dbraw/zinc/26/22/97/347262297.db2.gz RFKLMVUISSQAOU-MCIONIFRSA-N 1 2 272.348 2.450 20 30 CEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H]1CCC[C@@H]1C#N ZINC000602976664 347262299 /nfs/dbraw/zinc/26/22/99/347262299.db2.gz RFKLMVUISSQAOU-MCIONIFRSA-N 1 2 272.348 2.450 20 30 CEEDLO Cc1c(Cl)cnc(NCc2[nH+]ccn2C)c1C#N ZINC000273303502 192105829 /nfs/dbraw/zinc/10/58/29/192105829.db2.gz HHOCVULYUGIHRO-UHFFFAOYSA-N 1 2 261.716 2.261 20 30 CEEDLO COCc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)no1 ZINC000603433250 347369402 /nfs/dbraw/zinc/36/94/02/347369402.db2.gz WEGGRVSVVCPIPS-INIZCTEOSA-N 1 2 283.331 2.470 20 30 CEEDLO N#CCc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000604528394 347420052 /nfs/dbraw/zinc/42/00/52/347420052.db2.gz ROWJWMZHQMUBEL-UHFFFAOYSA-N 1 2 268.320 2.368 20 30 CEEDLO CC#CC[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000607725719 347533452 /nfs/dbraw/zinc/53/34/52/347533452.db2.gz UBBRDRKBVYORFZ-UHFFFAOYSA-N 1 2 272.392 2.145 20 30 CEEDLO C=CCCOCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000608249179 347577074 /nfs/dbraw/zinc/57/70/74/347577074.db2.gz QZGUSFXLJJTRLY-UHFFFAOYSA-N 1 2 273.336 2.413 20 30 CEEDLO CC(C)N(CCC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000609156855 347629209 /nfs/dbraw/zinc/62/92/09/347629209.db2.gz FZHASIUXIDKOGB-UHFFFAOYSA-N 1 2 256.309 2.099 20 30 CEEDLO C[C@H]1C[N@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000609892490 347655188 /nfs/dbraw/zinc/65/51/88/347655188.db2.gz IQVDWJKKESPETN-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@H]1C[N@@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000609892490 347655191 /nfs/dbraw/zinc/65/51/91/347655191.db2.gz IQVDWJKKESPETN-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1F ZINC000611372160 347770710 /nfs/dbraw/zinc/77/07/10/347770710.db2.gz SGVVJSZEGUSEJH-GJZGRUSLSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1F ZINC000611372160 347770712 /nfs/dbraw/zinc/77/07/12/347770712.db2.gz SGVVJSZEGUSEJH-GJZGRUSLSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000610917453 347722189 /nfs/dbraw/zinc/72/21/89/347722189.db2.gz OCCRKKXYXLRDDM-VIFPVBQESA-N 1 2 251.717 2.170 20 30 CEEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ncn1 ZINC000611134711 347743127 /nfs/dbraw/zinc/74/31/27/347743127.db2.gz BMDHNNUJNJDVED-UHFFFAOYSA-N 1 2 256.284 2.086 20 30 CEEDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(C#N)cc1F ZINC000611586138 347797603 /nfs/dbraw/zinc/79/76/03/347797603.db2.gz FZCQTUGSFYLEKP-JTQLQIEISA-N 1 2 285.326 2.086 20 30 CEEDLO C[C@]1(C#N)CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000612377772 347877277 /nfs/dbraw/zinc/87/72/77/347877277.db2.gz SBOFVCZLAQZPEY-MRXNPFEDSA-N 1 2 297.362 2.170 20 30 CEEDLO COC[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccco1 ZINC000612477860 347892097 /nfs/dbraw/zinc/89/20/97/347892097.db2.gz FFADQUFUVUUWOS-ZDUSSCGKSA-N 1 2 257.293 2.024 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000613458424 348052517 /nfs/dbraw/zinc/05/25/17/348052517.db2.gz ZVAAWDGZXWLDQU-GWCFXTLKSA-N 1 2 259.284 2.292 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000614055221 348139970 /nfs/dbraw/zinc/13/99/70/348139970.db2.gz LMSBSXQBTDTTQW-HNNXBMFYSA-N 1 2 297.358 2.372 20 30 CEEDLO COC(=O)[C@@](C)([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000614403419 348194769 /nfs/dbraw/zinc/19/47/69/348194769.db2.gz XIYRZLIIDUAHBX-INIZCTEOSA-N 1 2 272.348 2.298 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000614923879 348255253 /nfs/dbraw/zinc/25/52/53/348255253.db2.gz GENBZWJDLCAPRZ-RYUDHWBXSA-N 1 2 289.301 2.473 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000614923879 348255257 /nfs/dbraw/zinc/25/52/57/348255257.db2.gz GENBZWJDLCAPRZ-RYUDHWBXSA-N 1 2 289.301 2.473 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616864661 348580937 /nfs/dbraw/zinc/58/09/37/348580937.db2.gz IKILRDXYBYJSMZ-QWHCGFSZSA-N 1 2 293.411 2.198 20 30 CEEDLO CCn1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000616785283 348573774 /nfs/dbraw/zinc/57/37/74/348573774.db2.gz KLNUTJYNEHXMOD-MRXNPFEDSA-N 1 2 296.374 2.038 20 30 CEEDLO CCn1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000616785283 348573777 /nfs/dbraw/zinc/57/37/77/348573777.db2.gz KLNUTJYNEHXMOD-MRXNPFEDSA-N 1 2 296.374 2.038 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000617783805 348791651 /nfs/dbraw/zinc/79/16/51/348791651.db2.gz HJPFONVDQLLQQK-CYBMUJFWSA-N 1 2 297.362 2.091 20 30 CEEDLO C=CCCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000617618114 348751697 /nfs/dbraw/zinc/75/16/97/348751697.db2.gz CZNOVQKXCLPVGH-VIFPVBQESA-N 1 2 275.274 2.148 20 30 CEEDLO Cc1cc(C[N@@H+]2CCc3c[nH]nc3C2)ccc1C#N ZINC000618594375 348990345 /nfs/dbraw/zinc/99/03/45/348990345.db2.gz LZMMRRPOHMALHN-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Cc1cc(C[N@H+]2CCc3c[nH]nc3C2)ccc1C#N ZINC000618594375 348990349 /nfs/dbraw/zinc/99/03/49/348990349.db2.gz LZMMRRPOHMALHN-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc(C)c(OC)c1 ZINC000618593636 348990425 /nfs/dbraw/zinc/99/04/25/348990425.db2.gz LUNULNQGWDPILP-UHFFFAOYSA-N 1 2 262.353 2.366 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)c(OC)c1 ZINC000618593636 348990427 /nfs/dbraw/zinc/99/04/27/348990427.db2.gz LUNULNQGWDPILP-UHFFFAOYSA-N 1 2 262.353 2.366 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C#N)c(C)c1)CC2 ZINC000618602836 348994570 /nfs/dbraw/zinc/99/45/70/348994570.db2.gz PXNNRHWRHFNIDF-UHFFFAOYSA-N 1 2 266.348 2.387 20 30 CEEDLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618741142 349034384 /nfs/dbraw/zinc/03/43/84/349034384.db2.gz CTYGMZXAPUBBDZ-HNNXBMFYSA-N 1 2 252.321 2.367 20 30 CEEDLO C=C[C@@H]([NH2+]CC1(CCOCC)CCCC1)C(=O)OC ZINC000619703155 349224134 /nfs/dbraw/zinc/22/41/34/349224134.db2.gz GQGGPDXGFVDMAL-CYBMUJFWSA-N 1 2 269.385 2.291 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1cccc(C)c1 ZINC000619716033 349226164 /nfs/dbraw/zinc/22/61/64/349226164.db2.gz KUBFNGJJPIFXBA-CQSZACIVSA-N 1 2 263.337 2.033 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1cccc(C)c1 ZINC000619716033 349226166 /nfs/dbraw/zinc/22/61/66/349226166.db2.gz KUBFNGJJPIFXBA-CQSZACIVSA-N 1 2 263.337 2.033 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1ccc(OC)cc1 ZINC000619716523 349226324 /nfs/dbraw/zinc/22/63/24/349226324.db2.gz SHBMNVUFALLZBB-CQSZACIVSA-N 1 2 263.337 2.245 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000619716523 349226327 /nfs/dbraw/zinc/22/63/27/349226327.db2.gz SHBMNVUFALLZBB-CQSZACIVSA-N 1 2 263.337 2.245 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000619716520 349226495 /nfs/dbraw/zinc/22/64/95/349226495.db2.gz MKQWTUOOCZSYRR-CQSZACIVSA-N 1 2 263.337 2.245 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(OCC)cc1 ZINC000619716520 349226498 /nfs/dbraw/zinc/22/64/98/349226498.db2.gz MKQWTUOOCZSYRR-CQSZACIVSA-N 1 2 263.337 2.245 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000619717487 349227214 /nfs/dbraw/zinc/22/72/14/349227214.db2.gz JYGQQWCNMMEGAK-HUUCEWRRSA-N 1 2 275.348 2.178 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000619717487 349227217 /nfs/dbraw/zinc/22/72/17/349227217.db2.gz JYGQQWCNMMEGAK-HUUCEWRRSA-N 1 2 275.348 2.178 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000619720263 349228004 /nfs/dbraw/zinc/22/80/04/349228004.db2.gz SNBBPFJUHGWCGP-OAHLLOKOSA-N 1 2 274.364 2.064 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000619718690 349228021 /nfs/dbraw/zinc/22/80/21/349228021.db2.gz VEKQGCBMTFCFOO-OCCSQVGLSA-N 1 2 275.348 2.212 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000619718690 349228023 /nfs/dbraw/zinc/22/80/23/349228023.db2.gz VEKQGCBMTFCFOO-OCCSQVGLSA-N 1 2 275.348 2.212 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083617 180094777 /nfs/dbraw/zinc/09/47/77/180094777.db2.gz SFKSPJIFZPPEQM-UHFFFAOYSA-N 1 2 279.334 2.331 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083617 180094779 /nfs/dbraw/zinc/09/47/79/180094779.db2.gz SFKSPJIFZPPEQM-UHFFFAOYSA-N 1 2 279.334 2.331 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](CC)C[C@H](C)C#N)o1 ZINC000091984031 180297464 /nfs/dbraw/zinc/29/74/64/180297464.db2.gz XRHZVXWNJFWGIR-LLVKDONJSA-N 1 2 264.325 2.438 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](CC)C[C@H](C)C#N)o1 ZINC000091984031 180297466 /nfs/dbraw/zinc/29/74/66/180297466.db2.gz XRHZVXWNJFWGIR-LLVKDONJSA-N 1 2 264.325 2.438 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000627734615 350914398 /nfs/dbraw/zinc/91/43/98/350914398.db2.gz YBDFVQVKSYAIHX-CYBMUJFWSA-N 1 2 287.363 2.062 20 30 CEEDLO COCCCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000131567547 366066891 /nfs/dbraw/zinc/06/68/91/366066891.db2.gz IDLLZOPAQFKPQX-UHFFFAOYSA-N 1 2 256.733 2.404 20 30 CEEDLO C=C(C)C[C@@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000630988249 351911935 /nfs/dbraw/zinc/91/19/35/351911935.db2.gz YIPYIOFIDWDOCS-ZDUSSCGKSA-N 1 2 273.336 2.085 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc(C)cc2F)nn1 ZINC000631163008 351994769 /nfs/dbraw/zinc/99/47/69/351994769.db2.gz INNIFHMOBFGUJE-UHFFFAOYSA-N 1 2 260.316 2.201 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000072690946 363158044 /nfs/dbraw/zinc/15/80/44/363158044.db2.gz HNHISUZJPBBSEN-INIZCTEOSA-N 1 2 292.427 2.303 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000072690946 363158047 /nfs/dbraw/zinc/15/80/47/363158047.db2.gz HNHISUZJPBBSEN-INIZCTEOSA-N 1 2 292.427 2.303 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2scnc2C2CC2)C1=O ZINC000343610650 539854549 /nfs/dbraw/zinc/85/45/49/539854549.db2.gz YUWCTUCKWVJNKA-GFCCVEGCSA-N 1 2 291.420 2.239 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2scnc2C2CC2)C1=O ZINC000343610650 539854552 /nfs/dbraw/zinc/85/45/52/539854552.db2.gz YUWCTUCKWVJNKA-GFCCVEGCSA-N 1 2 291.420 2.239 20 30 CEEDLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000271653417 191261032 /nfs/dbraw/zinc/26/10/32/191261032.db2.gz JKTWVBVSGPIJBT-QWRGUYRKSA-N 1 2 286.335 2.499 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000131753138 366086066 /nfs/dbraw/zinc/08/60/66/366086066.db2.gz YGFKDCAAXKSPAG-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000131753138 366086071 /nfs/dbraw/zinc/08/60/71/366086071.db2.gz YGFKDCAAXKSPAG-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO C=C(C)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000154363161 188137752 /nfs/dbraw/zinc/13/77/52/188137752.db2.gz KECXKIOTVIYWHY-OAHLLOKOSA-N 1 2 290.432 2.469 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000156896728 188286844 /nfs/dbraw/zinc/28/68/44/188286844.db2.gz SKYXTUWKIUBGSL-CQSZACIVSA-N 1 2 297.362 2.032 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000156896728 188286845 /nfs/dbraw/zinc/28/68/45/188286845.db2.gz SKYXTUWKIUBGSL-CQSZACIVSA-N 1 2 297.362 2.032 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000491619122 332245406 /nfs/dbraw/zinc/24/54/06/332245406.db2.gz DHTVSZSOAXYOPB-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000491619122 332245407 /nfs/dbraw/zinc/24/54/07/332245407.db2.gz DHTVSZSOAXYOPB-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000157093617 188297320 /nfs/dbraw/zinc/29/73/20/188297320.db2.gz SBKXUCCXAIHVOA-OAHLLOKOSA-N 1 2 284.338 2.143 20 30 CEEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000157093617 188297321 /nfs/dbraw/zinc/29/73/21/188297321.db2.gz SBKXUCCXAIHVOA-OAHLLOKOSA-N 1 2 284.338 2.143 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337467599 366155359 /nfs/dbraw/zinc/15/53/59/366155359.db2.gz UOIZYSODTPUIGH-AWEZNQCLSA-N 1 2 258.365 2.161 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337467599 366155362 /nfs/dbraw/zinc/15/53/62/366155362.db2.gz UOIZYSODTPUIGH-AWEZNQCLSA-N 1 2 258.365 2.161 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337650421 366167794 /nfs/dbraw/zinc/16/77/94/366167794.db2.gz KVIHTFUQGUWVQS-DZGCQCFKSA-N 1 2 273.380 2.157 20 30 CEEDLO Cc1nnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000271792676 191330936 /nfs/dbraw/zinc/33/09/36/191330936.db2.gz NSTRBPIJOBSXRU-UHFFFAOYSA-N 1 2 270.361 2.497 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc(C#N)cc2F)CC1(C)C ZINC000570301043 299252394 /nfs/dbraw/zinc/25/23/94/299252394.db2.gz KVLUCUIOOIGFBL-LBPRGKRZSA-N 1 2 285.326 2.413 20 30 CEEDLO Cc1cc(NCCc2cnc(C3CC3)nc2)c(C#N)c[nH+]1 ZINC000577843517 538770933 /nfs/dbraw/zinc/77/09/33/538770933.db2.gz ZWWFEWPHXUABTP-UHFFFAOYSA-N 1 2 279.347 2.006 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nnc2n1CCCCC2 ZINC000135142922 366400636 /nfs/dbraw/zinc/40/06/36/366400636.db2.gz JIMFXJGLESQDSY-NSHDSACASA-N 1 2 285.351 2.320 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2cccnc2C1 ZINC000577894193 366414037 /nfs/dbraw/zinc/41/40/37/366414037.db2.gz WXDLAXCUGVAGAN-UHFFFAOYSA-N 1 2 295.342 2.356 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1Cc2cccnc2C1 ZINC000577894193 366414041 /nfs/dbraw/zinc/41/40/41/366414041.db2.gz WXDLAXCUGVAGAN-UHFFFAOYSA-N 1 2 295.342 2.356 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2(C#N)CC2)c1 ZINC000578110918 366444741 /nfs/dbraw/zinc/44/47/41/366444741.db2.gz IRXOLSRLCZJGGK-UHFFFAOYSA-N 1 2 280.331 2.214 20 30 CEEDLO CN(Cc1ccc(N)[nH+]c1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000135983426 366487539 /nfs/dbraw/zinc/48/75/39/366487539.db2.gz OAAFGCGZPSRBNC-UHFFFAOYSA-N 1 2 283.291 2.080 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)s1)C1CC1 ZINC000341694000 216070708 /nfs/dbraw/zinc/07/07/08/216070708.db2.gz SQLMHCOTZYGUDC-LBPRGKRZSA-N 1 2 286.360 2.234 20 30 CEEDLO CSCc1cnc(C[NH2+]CC2(C#N)CC2)s1 ZINC000578868544 366559650 /nfs/dbraw/zinc/55/96/50/366559650.db2.gz LBPDTSKRPXVMKN-UHFFFAOYSA-N 1 2 253.396 2.399 20 30 CEEDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000579186088 366604435 /nfs/dbraw/zinc/60/44/35/366604435.db2.gz RZRJFGVXJJGMNV-ZDUSSCGKSA-N 1 2 283.375 2.262 20 30 CEEDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000579186088 366604443 /nfs/dbraw/zinc/60/44/43/366604443.db2.gz RZRJFGVXJJGMNV-ZDUSSCGKSA-N 1 2 283.375 2.262 20 30 CEEDLO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nn1C ZINC000341942849 216160307 /nfs/dbraw/zinc/16/03/07/216160307.db2.gz DYJIVLJWKLPXBI-UHFFFAOYSA-N 1 2 266.348 2.379 20 30 CEEDLO N#Cc1csc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000178976737 189158858 /nfs/dbraw/zinc/15/88/58/189158858.db2.gz KKIDXSCLKXNPLN-LBPRGKRZSA-N 1 2 298.371 2.023 20 30 CEEDLO N#Cc1ccc(C[N@@H+](Cc2nccc(N)n2)C2CC2)cc1 ZINC000179203884 189177747 /nfs/dbraw/zinc/17/77/47/189177747.db2.gz DVICIKBBOCVVGI-UHFFFAOYSA-N 1 2 279.347 2.095 20 30 CEEDLO N#Cc1ccc(C[N@H+](Cc2nccc(N)n2)C2CC2)cc1 ZINC000179203884 189177748 /nfs/dbraw/zinc/17/77/48/189177748.db2.gz DVICIKBBOCVVGI-UHFFFAOYSA-N 1 2 279.347 2.095 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1cscc1C#N ZINC000339579913 366708639 /nfs/dbraw/zinc/70/86/39/366708639.db2.gz PAKRLFIMQGQZSL-UHFFFAOYSA-N 1 2 259.290 2.276 20 30 CEEDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000087833162 363871871 /nfs/dbraw/zinc/87/18/71/363871871.db2.gz PZCKWPGEEUNNLS-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000087833162 363871872 /nfs/dbraw/zinc/87/18/72/363871872.db2.gz PZCKWPGEEUNNLS-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO CCOC(=O)C[C@H](C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000089574583 363979219 /nfs/dbraw/zinc/97/92/19/363979219.db2.gz JOQZHMCOEGELOK-YAFRSCOQSA-N 1 2 279.336 2.409 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000356485571 370728709 /nfs/dbraw/zinc/72/87/09/370728709.db2.gz XNHSSDNEDVEPIO-ZIAGYGMSSA-N 1 2 265.401 2.115 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000356485571 370728715 /nfs/dbraw/zinc/72/87/15/370728715.db2.gz XNHSSDNEDVEPIO-ZIAGYGMSSA-N 1 2 265.401 2.115 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1C ZINC000157673491 366847195 /nfs/dbraw/zinc/84/71/95/366847195.db2.gz HMSLSWVWAPWDCK-ZFWWWQNUSA-N 1 2 287.407 2.481 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1C ZINC000157673491 366847199 /nfs/dbraw/zinc/84/71/99/366847199.db2.gz HMSLSWVWAPWDCK-ZFWWWQNUSA-N 1 2 287.407 2.481 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000157630868 366847480 /nfs/dbraw/zinc/84/74/80/366847480.db2.gz VLFYJHOMXQEGFI-GJZGRUSLSA-N 1 2 287.407 2.215 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000157630868 366847483 /nfs/dbraw/zinc/84/74/83/366847483.db2.gz VLFYJHOMXQEGFI-GJZGRUSLSA-N 1 2 287.407 2.215 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)nc1 ZINC000581981723 366844713 /nfs/dbraw/zinc/84/47/13/366844713.db2.gz JTJYAUOLHJYYSA-SFHVURJKSA-N 1 2 293.370 2.397 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)nc1 ZINC000581981723 366844717 /nfs/dbraw/zinc/84/47/17/366844717.db2.gz JTJYAUOLHJYYSA-SFHVURJKSA-N 1 2 293.370 2.397 20 30 CEEDLO C[C@@H]1C[C@@H](NC(=O)c2sccc2C#N)c2[nH+]ccn21 ZINC000335155172 364550509 /nfs/dbraw/zinc/55/05/09/364550509.db2.gz KYNYAJQEOLUHFS-PSASIEDQSA-N 1 2 272.333 2.252 20 30 CEEDLO C[C@H]1CCSCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000335181664 364587762 /nfs/dbraw/zinc/58/77/62/364587762.db2.gz FDPBINZKKNPDEJ-VIFPVBQESA-N 1 2 253.396 2.342 20 30 CEEDLO C[C@H]1CCSCC[N@H+]1Cc1nc(C#N)cs1 ZINC000335181664 364587765 /nfs/dbraw/zinc/58/77/65/364587765.db2.gz FDPBINZKKNPDEJ-VIFPVBQESA-N 1 2 253.396 2.342 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCc2ccccc2NC1=O ZINC000335226543 364654777 /nfs/dbraw/zinc/65/47/77/364654777.db2.gz IXFNQWCRTMEYDF-AWEZNQCLSA-N 1 2 271.364 2.421 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCc2ccccc2NC1=O ZINC000335226543 364654782 /nfs/dbraw/zinc/65/47/82/364654782.db2.gz IXFNQWCRTMEYDF-AWEZNQCLSA-N 1 2 271.364 2.421 20 30 CEEDLO C[C@@H](C(=O)Nc1ccc(CC#N)cc1)[NH+]1CCSCC1 ZINC000103467740 364657357 /nfs/dbraw/zinc/65/73/57/364657357.db2.gz YWJXZAPQLJKIMH-LBPRGKRZSA-N 1 2 289.404 2.128 20 30 CEEDLO Cc1cc(NC(=O)N2CCC(CCC#N)CC2)cc[nH+]1 ZINC000335395401 364699729 /nfs/dbraw/zinc/69/97/29/364699729.db2.gz LYSXYJROYRZTDL-UHFFFAOYSA-N 1 2 272.352 2.360 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C#N)ccc1Cl ZINC000335944755 365197798 /nfs/dbraw/zinc/19/77/98/365197798.db2.gz HZGUMETXSANMTH-UHFFFAOYSA-N 1 2 274.711 2.173 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000275400828 193022908 /nfs/dbraw/zinc/02/29/08/193022908.db2.gz BVRORNFYIIYOFM-UHFFFAOYSA-N 1 2 298.342 2.092 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000275400828 193022911 /nfs/dbraw/zinc/02/29/11/193022911.db2.gz BVRORNFYIIYOFM-UHFFFAOYSA-N 1 2 298.342 2.092 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccccc1 ZINC000245412231 370815608 /nfs/dbraw/zinc/81/56/08/370815608.db2.gz AFCYCRUADLCPGC-XWIAVFTESA-N 1 2 297.402 2.488 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccccc1 ZINC000245412231 370815614 /nfs/dbraw/zinc/81/56/14/370815614.db2.gz AFCYCRUADLCPGC-XWIAVFTESA-N 1 2 297.402 2.488 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(CC)cc2)CC1 ZINC000119359210 365260900 /nfs/dbraw/zinc/26/09/00/365260900.db2.gz GVDOFCZEVGKSEW-UHFFFAOYSA-N 1 2 271.364 2.032 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275821271 193137903 /nfs/dbraw/zinc/13/79/03/193137903.db2.gz RAXZEAPIUNVFMU-INIZCTEOSA-N 1 2 291.395 2.345 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000159950308 366960844 /nfs/dbraw/zinc/96/08/44/366960844.db2.gz LMPCANVNIROKFT-UHFFFAOYSA-N 1 2 284.403 2.177 20 30 CEEDLO CC[N@H+](Cc1nncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000160800770 367035741 /nfs/dbraw/zinc/03/57/41/367035741.db2.gz DDBDLUAZCAUESQ-LBPRGKRZSA-N 1 2 269.352 2.270 20 30 CEEDLO CC[N@@H+](Cc1nncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000160800770 367035745 /nfs/dbraw/zinc/03/57/45/367035745.db2.gz DDBDLUAZCAUESQ-LBPRGKRZSA-N 1 2 269.352 2.270 20 30 CEEDLO Cc1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1C ZINC000341241012 367239112 /nfs/dbraw/zinc/23/91/12/367239112.db2.gz WDILOXHLGQFBAZ-UHFFFAOYSA-N 1 2 266.348 2.379 20 30 CEEDLO Cc1c[nH+]c(CNC2(c3cccc(C#N)c3)CC2)n1C ZINC000341241012 367239113 /nfs/dbraw/zinc/23/91/13/367239113.db2.gz WDILOXHLGQFBAZ-UHFFFAOYSA-N 1 2 266.348 2.379 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000170733365 367401885 /nfs/dbraw/zinc/40/18/85/367401885.db2.gz MAEQUDUGSINCDX-UHFFFAOYSA-N 1 2 270.254 2.209 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000170733365 367401889 /nfs/dbraw/zinc/40/18/89/367401889.db2.gz MAEQUDUGSINCDX-UHFFFAOYSA-N 1 2 270.254 2.209 20 30 CEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)s1 ZINC000342795322 367539084 /nfs/dbraw/zinc/53/90/84/367539084.db2.gz FTMYEUOYHMPGQU-SECBINFHSA-N 1 2 298.375 2.217 20 30 CEEDLO COC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccco1 ZINC000342767663 367523678 /nfs/dbraw/zinc/52/36/78/367523678.db2.gz DZPWNNXCESJCDP-AWEZNQCLSA-N 1 2 296.330 2.276 20 30 CEEDLO COc1ccccc1C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343319834 367753803 /nfs/dbraw/zinc/75/38/03/367753803.db2.gz KDMDDWPSSOMVNN-UHFFFAOYSA-N 1 2 285.391 2.117 20 30 CEEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562039 367887004 /nfs/dbraw/zinc/88/70/04/367887004.db2.gz FPQSTLHIEKPOGE-CYBMUJFWSA-N 1 2 282.351 2.125 20 30 CEEDLO C=CC[N@H+](CCC#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562039 367887011 /nfs/dbraw/zinc/88/70/11/367887011.db2.gz FPQSTLHIEKPOGE-CYBMUJFWSA-N 1 2 282.351 2.125 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633315214 368185959 /nfs/dbraw/zinc/18/59/59/368185959.db2.gz MCCRMUZXPKVQPD-HIFRSBDPSA-N 1 2 283.331 2.150 20 30 CEEDLO C=C(CC)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633359120 368208378 /nfs/dbraw/zinc/20/83/78/368208378.db2.gz PHHXWZIQHWEFCI-UHFFFAOYSA-N 1 2 269.348 2.497 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000186395929 368967600 /nfs/dbraw/zinc/96/76/00/368967600.db2.gz BBPBHARNXUEPRZ-OAHLLOKOSA-N 1 2 258.321 2.086 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccccc1C#N ZINC000186395929 368967604 /nfs/dbraw/zinc/96/76/04/368967604.db2.gz BBPBHARNXUEPRZ-OAHLLOKOSA-N 1 2 258.321 2.086 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000186393783 368968069 /nfs/dbraw/zinc/96/80/69/368968069.db2.gz XSNMKBJXMBVWKI-HNNXBMFYSA-N 1 2 258.321 2.086 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000186393783 368968070 /nfs/dbraw/zinc/96/80/70/368968070.db2.gz XSNMKBJXMBVWKI-HNNXBMFYSA-N 1 2 258.321 2.086 20 30 CEEDLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)no1 ZINC000186593742 369002483 /nfs/dbraw/zinc/00/24/83/369002483.db2.gz WLVUSNLGENIVOO-GFCCVEGCSA-N 1 2 298.346 2.486 20 30 CEEDLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)no1 ZINC000186593742 369002486 /nfs/dbraw/zinc/00/24/86/369002486.db2.gz WLVUSNLGENIVOO-GFCCVEGCSA-N 1 2 298.346 2.486 20 30 CEEDLO O=C1OCC[C@]12CCC[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC000186598878 369004515 /nfs/dbraw/zinc/00/45/15/369004515.db2.gz VXUQWWPXWMKOSG-MRXNPFEDSA-N 1 2 289.762 2.473 20 30 CEEDLO O=C1OCC[C@]12CCC[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC000186598878 369004520 /nfs/dbraw/zinc/00/45/20/369004520.db2.gz VXUQWWPXWMKOSG-MRXNPFEDSA-N 1 2 289.762 2.473 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1F ZINC000246391941 370954928 /nfs/dbraw/zinc/95/49/28/370954928.db2.gz AXARHFHRBMXXAR-CVEARBPZSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1F ZINC000246391941 370954931 /nfs/dbraw/zinc/95/49/31/370954931.db2.gz AXARHFHRBMXXAR-CVEARBPZSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352456710 369739536 /nfs/dbraw/zinc/73/95/36/369739536.db2.gz ABXBNEUGCGWUFR-CHWSQXEVSA-N 1 2 281.375 2.104 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000192235231 369782698 /nfs/dbraw/zinc/78/26/98/369782698.db2.gz BZHSHDDXTQTXTB-JTQLQIEISA-N 1 2 282.290 2.180 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000192235231 369782700 /nfs/dbraw/zinc/78/27/00/369782700.db2.gz BZHSHDDXTQTXTB-JTQLQIEISA-N 1 2 282.290 2.180 20 30 CEEDLO C=CC(C)(C)CCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000637321053 369898103 /nfs/dbraw/zinc/89/81/03/369898103.db2.gz DFCBGWIXZRWMFF-UHFFFAOYSA-N 1 2 276.384 2.319 20 30 CEEDLO COc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1OC ZINC000352834957 369902417 /nfs/dbraw/zinc/90/24/17/369902417.db2.gz MVIYLLFJAXBNEN-UHFFFAOYSA-N 1 2 289.360 2.322 20 30 CEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccncc1F ZINC000352896201 369938958 /nfs/dbraw/zinc/93/89/58/369938958.db2.gz OPOOKYUPFZPJFT-QMMMGPOBSA-N 1 2 262.313 2.400 20 30 CEEDLO CCOC(=O)c1coc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354010874 370177012 /nfs/dbraw/zinc/17/70/12/370177012.db2.gz PKTVQQHCSVVSGF-UHFFFAOYSA-N 1 2 264.325 2.438 20 30 CEEDLO CCOC(=O)c1coc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354010874 370177018 /nfs/dbraw/zinc/17/70/18/370177018.db2.gz PKTVQQHCSVVSGF-UHFFFAOYSA-N 1 2 264.325 2.438 20 30 CEEDLO CN(C)c1[nH+]cccc1CNc1cnccc1C#N ZINC000354571658 370415748 /nfs/dbraw/zinc/41/57/48/370415748.db2.gz RLXCQLHJQUBOSZ-UHFFFAOYSA-N 1 2 253.309 2.026 20 30 CEEDLO CCOc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000247783148 371142050 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C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)c1c[nH]c2ncccc12 ZINC000639727096 371521370 /nfs/dbraw/zinc/52/13/70/371521370.db2.gz JGNYRMRVZQINGB-VHSXEESVSA-N 1 2 256.309 2.026 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000639727097 371521566 /nfs/dbraw/zinc/52/15/66/371521566.db2.gz JGNYRMRVZQINGB-ZJUUUORDSA-N 1 2 256.309 2.026 20 30 CEEDLO N#CCCCCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000361584741 371949135 /nfs/dbraw/zinc/94/91/35/371949135.db2.gz XOUTYXOMFRVKMK-AWEZNQCLSA-N 1 2 286.379 2.108 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000268540973 372131122 /nfs/dbraw/zinc/13/11/22/372131122.db2.gz LAZMSKTVAZMBOH-INIZCTEOSA-N 1 2 286.379 2.026 20 30 CEEDLO C=CCC[C@H](O)C[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000268540973 372131124 /nfs/dbraw/zinc/13/11/24/372131124.db2.gz LAZMSKTVAZMBOH-INIZCTEOSA-N 1 2 286.379 2.026 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCCOc2ccccc2C)nn1 ZINC000640985650 372200240 /nfs/dbraw/zinc/20/02/40/372200240.db2.gz OVYMSOVTJFFSPW-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/73/00/38/373730038.db2.gz DZBHLXKXSACBLZ-DOTOQJQBSA-N 1 2 289.375 2.241 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CCOC[C@@H]21 ZINC000644837986 373730044 /nfs/dbraw/zinc/73/00/44/373730044.db2.gz DZBHLXKXSACBLZ-DOTOQJQBSA-N 1 2 289.375 2.241 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccccc1C)C1CC1 ZINC000274112763 373815038 /nfs/dbraw/zinc/81/50/38/373815038.db2.gz FRKWGQSESZZZTB-UHFFFAOYSA-N 1 2 270.376 2.051 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1C)C1CC1 ZINC000274112763 373815044 /nfs/dbraw/zinc/81/50/44/373815044.db2.gz FRKWGQSESZZZTB-UHFFFAOYSA-N 1 2 270.376 2.051 20 30 CEEDLO C#CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)C1CC1 ZINC000274127039 373820649 /nfs/dbraw/zinc/82/06/49/373820649.db2.gz HQCIQOWDGYQUCO-UHFFFAOYSA-N 1 2 291.416 2.256 20 30 CEEDLO C#CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)C1CC1 ZINC000274127039 373820656 /nfs/dbraw/zinc/82/06/56/373820656.db2.gz HQCIQOWDGYQUCO-UHFFFAOYSA-N 1 2 291.416 2.256 20 30 CEEDLO CCn1cc[nH+]c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371292711 373833998 /nfs/dbraw/zinc/83/39/98/373833998.db2.gz REOBNTUNOWBUAZ-MRXNPFEDSA-N 1 2 296.374 2.348 20 30 CEEDLO C#CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000274188661 373836310 /nfs/dbraw/zinc/83/63/10/373836310.db2.gz PTZPRDZRZWPCDH-UHFFFAOYSA-N 1 2 260.293 2.201 20 30 CEEDLO C#CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000274188661 373836318 /nfs/dbraw/zinc/83/63/18/373836318.db2.gz PTZPRDZRZWPCDH-UHFFFAOYSA-N 1 2 260.293 2.201 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371463673 373891083 /nfs/dbraw/zinc/89/10/83/373891083.db2.gz KEBKVWAJXZMBHN-MRXNPFEDSA-N 1 2 282.347 2.163 20 30 CEEDLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371463673 373891089 /nfs/dbraw/zinc/89/10/89/373891089.db2.gz KEBKVWAJXZMBHN-MRXNPFEDSA-N 1 2 282.347 2.163 20 30 CEEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274726723 374029130 /nfs/dbraw/zinc/02/91/30/374029130.db2.gz ATLFFLGDDIYEJJ-NSHDSACASA-N 1 2 278.739 2.207 20 30 CEEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274726723 374029138 /nfs/dbraw/zinc/02/91/38/374029138.db2.gz ATLFFLGDDIYEJJ-NSHDSACASA-N 1 2 278.739 2.207 20 30 CEEDLO CC#CC[C@@H](CO)Nc1[nH+]c2ccccc2cc1C ZINC000645403493 374032135 /nfs/dbraw/zinc/03/21/35/374032135.db2.gz BZIHQLVPSGSFDX-AWEZNQCLSA-N 1 2 254.333 2.151 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000277533939 374557575 /nfs/dbraw/zinc/55/75/75/374557575.db2.gz YNEFGFDCLFYVTH-CYBMUJFWSA-N 1 2 275.352 2.124 20 30 CEEDLO C#CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000277533939 374557579 /nfs/dbraw/zinc/55/75/79/374557579.db2.gz YNEFGFDCLFYVTH-CYBMUJFWSA-N 1 2 275.352 2.124 20 30 CEEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000334197236 206178688 /nfs/dbraw/zinc/17/86/88/206178688.db2.gz IWCRWEFNXNWPIA-NOZJJQNGSA-N 1 2 295.180 2.276 20 30 CEEDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000334197236 206178691 /nfs/dbraw/zinc/17/86/91/206178691.db2.gz IWCRWEFNXNWPIA-NOZJJQNGSA-N 1 2 295.180 2.276 20 30 CEEDLO CC(C)[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000277800640 374649769 /nfs/dbraw/zinc/64/97/69/374649769.db2.gz XSKULSHANSJPRJ-OAHLLOKOSA-N 1 2 282.347 2.337 20 30 CEEDLO C=C(C)C[N@@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000279731362 374969487 /nfs/dbraw/zinc/96/94/87/374969487.db2.gz VYEDNQLRACFEOV-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO C=C(C)C[N@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000279731362 374969494 /nfs/dbraw/zinc/96/94/94/374969494.db2.gz VYEDNQLRACFEOV-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000281757580 375394370 /nfs/dbraw/zinc/39/43/70/375394370.db2.gz FZKWPFHFUDONBB-LBPRGKRZSA-N 1 2 276.384 2.373 20 30 CEEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2c(F)cccc2F)C1=O ZINC000280951911 375346218 /nfs/dbraw/zinc/34/62/18/375346218.db2.gz GJKDTSYEWHWIGQ-MFKMUULPSA-N 1 2 280.318 2.402 20 30 CEEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2csc(CC)n2)C1=O ZINC000281252482 375367547 /nfs/dbraw/zinc/36/75/47/375367547.db2.gz QJDQHEASYYNUTI-MNOVXSKESA-N 1 2 279.409 2.143 20 30 CEEDLO Cc1nc(SC[C@@H]2C[N@H+](C)CCO2)c(Cl)cc1C#N ZINC000400750524 375373574 /nfs/dbraw/zinc/37/35/74/375373574.db2.gz CPWSSIPCCLSQLB-NSHDSACASA-N 1 2 297.811 2.338 20 30 CEEDLO Cc1nc(SC[C@@H]2C[N@@H+](C)CCO2)c(Cl)cc1C#N ZINC000400750524 375373584 /nfs/dbraw/zinc/37/35/84/375373584.db2.gz CPWSSIPCCLSQLB-NSHDSACASA-N 1 2 297.811 2.338 20 30 CEEDLO CCCOc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414135622 375797792 /nfs/dbraw/zinc/79/77/92/375797792.db2.gz IKXKDXOWZMWYFH-CQSZACIVSA-N 1 2 292.379 2.061 20 30 CEEDLO CCCOc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414135622 375797798 /nfs/dbraw/zinc/79/77/98/375797798.db2.gz IKXKDXOWZMWYFH-CQSZACIVSA-N 1 2 292.379 2.061 20 30 CEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccnc(C#N)c1 ZINC000287721238 376301364 /nfs/dbraw/zinc/30/13/64/376301364.db2.gz FWSZUAZSNPIZEN-UHFFFAOYSA-N 1 2 295.268 2.348 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000419255682 376415071 /nfs/dbraw/zinc/41/50/71/376415071.db2.gz YRBUAAFXNTUJHU-PMPSAXMXSA-N 1 2 289.375 2.012 20 30 CEEDLO CC[C@H](C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N)OC ZINC000419296810 376432924 /nfs/dbraw/zinc/43/29/24/376432924.db2.gz SMAMDKRFIVFACD-QLFBSQMISA-N 1 2 266.385 2.339 20 30 CEEDLO CC[C@H](C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N)OC ZINC000419296810 376432932 /nfs/dbraw/zinc/43/29/32/376432932.db2.gz SMAMDKRFIVFACD-QLFBSQMISA-N 1 2 266.385 2.339 20 30 CEEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)s2)s1 ZINC000289696048 376449453 /nfs/dbraw/zinc/44/94/53/376449453.db2.gz DKICSYMZMNRCTP-UHFFFAOYSA-N 1 2 264.379 2.323 20 30 CEEDLO C=C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000264224300 190097908 /nfs/dbraw/zinc/09/79/08/190097908.db2.gz YXIHSFNHAZIDJC-UHFFFAOYSA-N 1 2 255.321 2.055 20 30 CEEDLO C[C@H]([C@H](C)Nc1ccc(C#N)cc1F)[NH+]1CCOCC1 ZINC000264331334 190104220 /nfs/dbraw/zinc/10/42/20/190104220.db2.gz XCZPYPYFSNUINM-NWDGAFQWSA-N 1 2 277.343 2.218 20 30 CEEDLO CC(C)OC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000558569274 376618497 /nfs/dbraw/zinc/61/84/97/376618497.db2.gz JZMFTQGFWVLITO-UHFFFAOYSA-N 1 2 265.382 2.404 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CSC2(C)C)C1 ZINC000328750949 376891838 /nfs/dbraw/zinc/89/18/38/376891838.db2.gz QSWXOZJGUDCFKR-GHMZBOCLSA-N 1 2 294.424 2.017 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CC2(C)C)C1 ZINC000328856674 376910901 /nfs/dbraw/zinc/91/09/01/376910901.db2.gz KIBZCGAGFOULMF-VXGBXAGGSA-N 1 2 276.384 2.170 20 30 CEEDLO C[C@@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CCC1=O ZINC000328948460 376925350 /nfs/dbraw/zinc/92/53/50/376925350.db2.gz WDHKNLQEYFBDNG-OLZOCXBDSA-N 1 2 296.411 2.059 20 30 CEEDLO Cc1nc(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC000328942134 376925425 /nfs/dbraw/zinc/92/54/25/376925425.db2.gz LFHKBVASZIQBKT-NSHDSACASA-N 1 2 290.392 2.410 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000329078023 376930438 /nfs/dbraw/zinc/93/04/38/376930438.db2.gz QKAFHBXEQRLGAT-YIOUJQMASA-N 1 2 295.427 2.073 20 30 CEEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000329078023 376930442 /nfs/dbraw/zinc/93/04/42/376930442.db2.gz QKAFHBXEQRLGAT-YIOUJQMASA-N 1 2 295.427 2.073 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000329294338 376940296 /nfs/dbraw/zinc/94/02/96/376940296.db2.gz JQRNTTCSHLROOA-UHFFFAOYSA-N 1 2 285.347 2.259 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000329294338 376940304 /nfs/dbraw/zinc/94/03/04/376940304.db2.gz JQRNTTCSHLROOA-UHFFFAOYSA-N 1 2 285.347 2.259 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000329871442 377021864 /nfs/dbraw/zinc/02/18/64/377021864.db2.gz CKBKOBPWBNKOTR-LXTVHRRPSA-N 1 2 296.411 2.033 20 30 CEEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000329664545 376985894 /nfs/dbraw/zinc/98/58/94/376985894.db2.gz QLNMJQZITFECNM-IINYFYTJSA-N 1 2 259.309 2.206 20 30 CEEDLO Cc1nc(N(C)Cc2[nH+]ccn2C)c(Cl)cc1C#N ZINC000291049479 377050922 /nfs/dbraw/zinc/05/09/22/377050922.db2.gz ZGMZQUIQGFVGFW-UHFFFAOYSA-N 1 2 275.743 2.285 20 30 CEEDLO C=CCC1(C(=O)NCc2c[nH+]ccc2OC)CCOCC1 ZINC000424845809 377306448 /nfs/dbraw/zinc/30/64/48/377306448.db2.gz LWMFYHBPICGRBU-UHFFFAOYSA-N 1 2 290.363 2.079 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)C1 ZINC000331243608 377342792 /nfs/dbraw/zinc/34/27/92/377342792.db2.gz OKJXQTSONKABRK-RISCZKNCSA-N 1 2 258.321 2.114 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C1 ZINC000331243608 377342800 /nfs/dbraw/zinc/34/28/00/377342800.db2.gz OKJXQTSONKABRK-RISCZKNCSA-N 1 2 258.321 2.114 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1C(=O)OCC ZINC000426580435 377420305 /nfs/dbraw/zinc/42/03/05/377420305.db2.gz QWNCNPVSXBHGNH-CYBMUJFWSA-N 1 2 277.368 2.137 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1C(=O)OCC ZINC000426580435 377420313 /nfs/dbraw/zinc/42/03/13/377420313.db2.gz QWNCNPVSXBHGNH-CYBMUJFWSA-N 1 2 277.368 2.137 20 30 CEEDLO CCSc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000564865489 377484395 /nfs/dbraw/zinc/48/43/95/377484395.db2.gz ZXOKRGWJYJQSLV-AWEZNQCLSA-N 1 2 293.436 2.417 20 30 CEEDLO CCSc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000564865489 377484402 /nfs/dbraw/zinc/48/44/02/377484402.db2.gz ZXOKRGWJYJQSLV-AWEZNQCLSA-N 1 2 293.436 2.417 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCN(CC)C(=O)[C@H]2C)c1 ZINC000428420815 377493905 /nfs/dbraw/zinc/49/39/05/377493905.db2.gz JCBRAOHYZKHIAV-CQSZACIVSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC)C(=O)[C@H]2C)c1 ZINC000428420815 377493912 /nfs/dbraw/zinc/49/39/12/377493912.db2.gz JCBRAOHYZKHIAV-CQSZACIVSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCC(C)(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000429838046 377522299 /nfs/dbraw/zinc/52/22/99/377522299.db2.gz HIZRGEVSQVOYGL-UHFFFAOYSA-N 1 2 275.396 2.480 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000265448337 190182542 /nfs/dbraw/zinc/18/25/42/190182542.db2.gz RUVQSXVEODWDRG-LBPRGKRZSA-N 1 2 272.352 2.407 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC000293547813 377621703 /nfs/dbraw/zinc/62/17/03/377621703.db2.gz YQSGOZXAZHACKE-NXEZZACHSA-N 1 2 277.755 2.490 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC000293547813 377621720 /nfs/dbraw/zinc/62/17/20/377621720.db2.gz YQSGOZXAZHACKE-NXEZZACHSA-N 1 2 277.755 2.490 20 30 CEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433298642 377783425 /nfs/dbraw/zinc/78/34/25/377783425.db2.gz APJPSSCWWQOWSC-QWHCGFSZSA-N 1 2 265.401 2.163 20 30 CEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433298642 377783433 /nfs/dbraw/zinc/78/34/33/377783433.db2.gz APJPSSCWWQOWSC-QWHCGFSZSA-N 1 2 265.401 2.163 20 30 CEEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433298527 377783790 /nfs/dbraw/zinc/78/37/90/377783790.db2.gz ZWQQAVOTYKMMPS-LLVKDONJSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433298527 377783797 /nfs/dbraw/zinc/78/37/97/377783797.db2.gz ZWQQAVOTYKMMPS-LLVKDONJSA-N 1 2 253.390 2.161 20 30 CEEDLO N#CCC[C@H](C#N)CNCC[N@@H+]1CCc2ccccc2C1 ZINC000566579573 377763514 /nfs/dbraw/zinc/76/35/14/377763514.db2.gz UOWWBMRUUUUUKH-OAHLLOKOSA-N 1 2 282.391 2.078 20 30 CEEDLO N#CCC[C@H](C#N)CNCC[N@H+]1CCc2ccccc2C1 ZINC000566579573 377763517 /nfs/dbraw/zinc/76/35/17/377763517.db2.gz UOWWBMRUUUUUKH-OAHLLOKOSA-N 1 2 282.391 2.078 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433309290 377787910 /nfs/dbraw/zinc/78/79/10/377787910.db2.gz YJRKPKQUNWNPNC-BETUJISGSA-N 1 2 265.401 2.257 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433309290 377787912 /nfs/dbraw/zinc/78/79/12/377787912.db2.gz YJRKPKQUNWNPNC-BETUJISGSA-N 1 2 265.401 2.257 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000567094099 377799826 /nfs/dbraw/zinc/79/98/26/377799826.db2.gz UYAFJNZXGCUNCX-VXGBXAGGSA-N 1 2 274.368 2.017 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000567094099 377799835 /nfs/dbraw/zinc/79/98/35/377799835.db2.gz UYAFJNZXGCUNCX-VXGBXAGGSA-N 1 2 274.368 2.017 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000567094096 377800791 /nfs/dbraw/zinc/80/07/91/377800791.db2.gz UYAFJNZXGCUNCX-NEPJUHHUSA-N 1 2 274.368 2.017 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000567094096 377800794 /nfs/dbraw/zinc/80/07/94/377800794.db2.gz UYAFJNZXGCUNCX-NEPJUHHUSA-N 1 2 274.368 2.017 20 30 CEEDLO C=CC[C@H](C(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000291168233 542229828 /nfs/dbraw/zinc/22/98/28/542229828.db2.gz IQLVGTHHSDXIGN-HNNXBMFYSA-N 1 2 269.348 2.396 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCCC1 ZINC000449842595 378236826 /nfs/dbraw/zinc/23/68/26/378236826.db2.gz ZMKLUZKGSKYJKZ-UHFFFAOYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCCC1 ZINC000449842595 378236832 /nfs/dbraw/zinc/23/68/32/378236832.db2.gz ZMKLUZKGSKYJKZ-UHFFFAOYSA-N 1 2 294.439 2.350 20 30 CEEDLO C[C@H]1C[N@H+](CC2(C#N)CCC2)CCN1CC1(C#N)CCC1 ZINC000450560445 378477454 /nfs/dbraw/zinc/47/74/54/378477454.db2.gz LCPLRJVWASYTTN-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO C[C@H]1C[N@@H+](CC2(C#N)CCC2)CCN1CC1(C#N)CCC1 ZINC000450560445 378477461 /nfs/dbraw/zinc/47/74/61/378477461.db2.gz LCPLRJVWASYTTN-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO C[C@H]1CN(CC2(C#N)CCC2)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450560445 378477465 /nfs/dbraw/zinc/47/74/65/378477465.db2.gz LCPLRJVWASYTTN-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO C[C@H]1CN(CC2(C#N)CCC2)CC[N@H+]1CC1(C#N)CCC1 ZINC000450560445 378477470 /nfs/dbraw/zinc/47/74/70/378477470.db2.gz LCPLRJVWASYTTN-HNNXBMFYSA-N 1 2 286.423 2.380 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000507435620 379103743 /nfs/dbraw/zinc/10/37/43/379103743.db2.gz YCSZRHZHOQGPTM-HNNXBMFYSA-N 1 2 270.336 2.199 20 30 CEEDLO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000301288465 379246543 /nfs/dbraw/zinc/24/65/43/379246543.db2.gz VWFLECZWPJCBEO-UHFFFAOYSA-N 1 2 294.362 2.133 20 30 CEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1cccc(C#N)n1 ZINC000267537506 190336985 /nfs/dbraw/zinc/33/69/85/190336985.db2.gz OEACBWDWQRNUIQ-UHFFFAOYSA-N 1 2 295.268 2.348 20 30 CEEDLO C=C1CC[NH+]([C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000268111215 190377818 /nfs/dbraw/zinc/37/78/18/190377818.db2.gz ZCGHIZGDRRYPKZ-HNNXBMFYSA-N 1 2 286.375 2.453 20 30 CEEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)o2)C[C@@H]1n1cc[nH+]c1 ZINC000334374169 380321702 /nfs/dbraw/zinc/32/17/02/380321702.db2.gz UBCZMLHGMPMTFU-YPMHNXCESA-N 1 2 284.319 2.071 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000334403180 380361683 /nfs/dbraw/zinc/36/16/83/380361683.db2.gz ORDVOPIKYJSAGZ-ZDUSSCGKSA-N 1 2 295.346 2.313 20 30 CEEDLO N#CC1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000334565305 380605027 /nfs/dbraw/zinc/60/50/27/380605027.db2.gz XOMOWVKWEBELKP-HNNXBMFYSA-N 1 2 287.338 2.167 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccccc1Cl ZINC000492978018 380750133 /nfs/dbraw/zinc/75/01/33/380750133.db2.gz BXFFYGOTRHQAAG-CDNLZTBQSA-N 1 2 291.782 2.313 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000493608964 381084997 /nfs/dbraw/zinc/08/49/97/381084997.db2.gz GLECUBRBJRLMNM-KTRBRXNASA-N 1 2 286.379 2.457 20 30 CEEDLO CN1C[C@H](C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)OC1=O ZINC000496546083 381217422 /nfs/dbraw/zinc/21/74/22/381217422.db2.gz FZDSBCLNKNTNMR-OAGGEKHMSA-N 1 2 299.374 2.209 20 30 CEEDLO CN1C[C@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)OC1=O ZINC000496546083 381217428 /nfs/dbraw/zinc/21/74/28/381217428.db2.gz FZDSBCLNKNTNMR-OAGGEKHMSA-N 1 2 299.374 2.209 20 30 CEEDLO CCC[N@H+](CC#N)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496127713 381199285 /nfs/dbraw/zinc/19/92/85/381199285.db2.gz YEGBUGIPNVRIGH-CZUORRHYSA-N 1 2 293.411 2.479 20 30 CEEDLO CCC[N@@H+](CC#N)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496127713 381199295 /nfs/dbraw/zinc/19/92/95/381199295.db2.gz YEGBUGIPNVRIGH-CZUORRHYSA-N 1 2 293.411 2.479 20 30 CEEDLO COCCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000363932292 262037691 /nfs/dbraw/zinc/03/76/91/262037691.db2.gz QDKLPTCOMZVJEQ-LSDHHAIUSA-N 1 2 266.385 2.340 20 30 CEEDLO COCCCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000363932292 262037693 /nfs/dbraw/zinc/03/76/93/262037693.db2.gz QDKLPTCOMZVJEQ-LSDHHAIUSA-N 1 2 266.385 2.340 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000335306642 208154095 /nfs/dbraw/zinc/15/40/95/208154095.db2.gz DCFXLBRKGWISIH-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000335306642 208154098 /nfs/dbraw/zinc/15/40/98/208154098.db2.gz DCFXLBRKGWISIH-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000334672857 533112397 /nfs/dbraw/zinc/11/23/97/533112397.db2.gz QNRUCOPBCOSEON-LBPRGKRZSA-N 1 2 291.782 2.144 20 30 CEEDLO N#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC000354662263 220869314 /nfs/dbraw/zinc/86/93/14/220869314.db2.gz WXBAUGCIALWXOQ-UHFFFAOYSA-N 1 2 282.328 2.197 20 30 CEEDLO C#CC[N@@H+](CCCS(C)(=O)=O)[C@H]1CCc2ccccc21 ZINC000171378914 335063837 /nfs/dbraw/zinc/06/38/37/335063837.db2.gz MQFBGVIYPXVDMJ-INIZCTEOSA-N 1 2 291.416 2.044 20 30 CEEDLO C#CC[N@H+](CCCS(C)(=O)=O)[C@H]1CCc2ccccc21 ZINC000171378914 335063838 /nfs/dbraw/zinc/06/38/38/335063838.db2.gz MQFBGVIYPXVDMJ-INIZCTEOSA-N 1 2 291.416 2.044 20 30 CEEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)CCC#N ZINC000344654261 533316190 /nfs/dbraw/zinc/31/61/90/533316190.db2.gz LLZXWSWCXYILTI-LBPRGKRZSA-N 1 2 297.362 2.249 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000192230754 130397807 /nfs/dbraw/zinc/39/78/07/130397807.db2.gz WIAGWEFZPIOPDV-UHFFFAOYSA-N 1 2 271.147 2.497 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000192230754 130397809 /nfs/dbraw/zinc/39/78/09/130397809.db2.gz WIAGWEFZPIOPDV-UHFFFAOYSA-N 1 2 271.147 2.497 20 30 CEEDLO CCN(CC)c1ccc(CNc2nccnc2C#N)c[nH+]1 ZINC000263921422 131361284 /nfs/dbraw/zinc/36/12/84/131361284.db2.gz USQWUHABYJMWTD-UHFFFAOYSA-N 1 2 282.351 2.202 20 30 CEEDLO CCn1c2ccccc2[nH+]c1CCNc1ccc(C#N)nn1 ZINC000301893507 394467536 /nfs/dbraw/zinc/46/75/36/394467536.db2.gz APLKJAAFLIUNEE-UHFFFAOYSA-N 1 2 292.346 2.372 20 30 CEEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046530394 394511202 /nfs/dbraw/zinc/51/12/02/394511202.db2.gz BPSMPOSSZWOYPX-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046530394 394511205 /nfs/dbraw/zinc/51/12/05/394511205.db2.gz BPSMPOSSZWOYPX-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1ccc(CCNc2cc(C#N)cc(C)n2)[nH+]c1 ZINC000413344776 394531569 /nfs/dbraw/zinc/53/15/69/394531569.db2.gz DFNWBHJMKFKNIQ-UHFFFAOYSA-N 1 2 252.321 2.042 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000356061933 394542739 /nfs/dbraw/zinc/54/27/39/394542739.db2.gz UKESNPVNAHFOBK-LBPRGKRZSA-N 1 2 297.280 2.027 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000356061933 394542740 /nfs/dbraw/zinc/54/27/40/394542740.db2.gz UKESNPVNAHFOBK-LBPRGKRZSA-N 1 2 297.280 2.027 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000093461487 394666269 /nfs/dbraw/zinc/66/62/69/394666269.db2.gz JELVKYUTAZARRD-UHFFFAOYSA-N 1 2 279.286 2.365 20 30 CEEDLO CC[C@@H]1[C@H](C)CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330201621 394599759 /nfs/dbraw/zinc/59/97/59/394599759.db2.gz YBIHAYZHFHHYMG-JHJVBQTASA-N 1 2 276.384 2.232 20 30 CEEDLO CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330201621 394599763 /nfs/dbraw/zinc/59/97/63/394599763.db2.gz YBIHAYZHFHHYMG-JHJVBQTASA-N 1 2 276.384 2.232 20 30 CEEDLO CCC(C)(C)[NH+]=C([O-])NCCCn1cc[nH+]c1C ZINC000330458796 394612929 /nfs/dbraw/zinc/61/29/29/394612929.db2.gz ZEPRMCQVUYPFRM-UHFFFAOYSA-N 1 2 252.362 2.274 20 30 CEEDLO CC[C@H](C)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330460211 394612998 /nfs/dbraw/zinc/61/29/98/394612998.db2.gz QYSKIZXLAXRDEQ-NSHDSACASA-N 1 2 264.373 2.364 20 30 CEEDLO CC[C@@H]1CCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000330538079 394617969 /nfs/dbraw/zinc/61/79/69/394617969.db2.gz WREOAHOLKGJVHW-VXGBXAGGSA-N 1 2 250.346 2.060 20 30 CEEDLO CC[C@@H]1CCCN1C([O-])=[NH+][C@H](C)Cn1cc[nH+]c1 ZINC000330538079 394617971 /nfs/dbraw/zinc/61/79/71/394617971.db2.gz WREOAHOLKGJVHW-VXGBXAGGSA-N 1 2 250.346 2.060 20 30 CEEDLO CC1=CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000270397505 394733116 /nfs/dbraw/zinc/73/31/16/394733116.db2.gz ZDHOYJSTLNNLCF-CYBMUJFWSA-N 1 2 287.388 2.377 20 30 CEEDLO CC1=CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000270397505 394733119 /nfs/dbraw/zinc/73/31/19/394733119.db2.gz ZDHOYJSTLNNLCF-CYBMUJFWSA-N 1 2 287.388 2.377 20 30 CEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334343987 394676260 /nfs/dbraw/zinc/67/62/60/394676260.db2.gz RWFFSBOIQVTACF-STQMWFEESA-N 1 2 286.379 2.085 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000361032849 394812225 /nfs/dbraw/zinc/81/22/25/394812225.db2.gz HXSXQJVDJUBCCV-AWEZNQCLSA-N 1 2 280.412 2.102 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@@H](C)Cc1ccccc1C)C(=O)OC ZINC000361109444 394815932 /nfs/dbraw/zinc/81/59/32/394815932.db2.gz MUNYVBPFOSBVQX-GOEBONIOSA-N 1 2 291.391 2.260 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C(=O)OC ZINC000361108193 394815982 /nfs/dbraw/zinc/81/59/82/394815982.db2.gz JSLLVHMETWNKNV-AGIUHOORSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000361111843 394816637 /nfs/dbraw/zinc/81/66/37/394816637.db2.gz VPBQKYFRIJGCOD-MCIONIFRSA-N 1 2 269.385 2.147 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)C(C)C ZINC000362188151 394849012 /nfs/dbraw/zinc/84/90/12/394849012.db2.gz RINNOPOKHQHWCI-UHFFFAOYSA-N 1 2 253.390 2.115 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)C(C)C ZINC000362188151 394849014 /nfs/dbraw/zinc/84/90/14/394849014.db2.gz RINNOPOKHQHWCI-UHFFFAOYSA-N 1 2 253.390 2.115 20 30 CEEDLO C=C[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000362371434 394857060 /nfs/dbraw/zinc/85/70/60/394857060.db2.gz RGZPKFFNDKJGDO-ZWNOBZJWSA-N 1 2 297.349 2.441 20 30 CEEDLO N#CCCOCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000339024142 394937669 /nfs/dbraw/zinc/93/76/69/394937669.db2.gz OFMCSXPBPDUZMM-UHFFFAOYSA-N 1 2 266.291 2.253 20 30 CEEDLO N#CCCOCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000339024142 394937676 /nfs/dbraw/zinc/93/76/76/394937676.db2.gz OFMCSXPBPDUZMM-UHFFFAOYSA-N 1 2 266.291 2.253 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000366093690 394937752 /nfs/dbraw/zinc/93/77/52/394937752.db2.gz OYOOPWYAWZMYEQ-QJPTWQEYSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000366093690 394937755 /nfs/dbraw/zinc/93/77/55/394937755.db2.gz OYOOPWYAWZMYEQ-QJPTWQEYSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000366090043 394937780 /nfs/dbraw/zinc/93/77/80/394937780.db2.gz MRFAGEJCFDODMJ-LLVKDONJSA-N 1 2 290.201 2.165 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000366090043 394937782 /nfs/dbraw/zinc/93/77/82/394937782.db2.gz MRFAGEJCFDODMJ-LLVKDONJSA-N 1 2 290.201 2.165 20 30 CEEDLO C=CCOCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000339086919 394941636 /nfs/dbraw/zinc/94/16/36/394941636.db2.gz NIGKEEHLGVKJHE-SNVBAGLBSA-N 1 2 253.346 2.220 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000339126808 394944010 /nfs/dbraw/zinc/94/40/10/394944010.db2.gz HGXLNJOYNSREHV-BFYDXBDKSA-N 1 2 286.375 2.458 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000339126808 394944013 /nfs/dbraw/zinc/94/40/13/394944013.db2.gz HGXLNJOYNSREHV-BFYDXBDKSA-N 1 2 286.375 2.458 20 30 CEEDLO C=C(C)[C@H](CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)OCC ZINC000339466615 394962122 /nfs/dbraw/zinc/96/21/22/394962122.db2.gz HNWQEBVKFKMTIZ-KBPBESRZSA-N 1 2 291.395 2.107 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@H+](CCC#N)C[C@H]21 ZINC000372993101 395050938 /nfs/dbraw/zinc/05/09/38/395050938.db2.gz NMFLHSKIAVCKIU-QWHCGFSZSA-N 1 2 279.384 2.231 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCC#N)C[C@H]21 ZINC000372993101 395050940 /nfs/dbraw/zinc/05/09/40/395050940.db2.gz NMFLHSKIAVCKIU-QWHCGFSZSA-N 1 2 279.384 2.231 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373940268 395068423 /nfs/dbraw/zinc/06/84/23/395068423.db2.gz XFBQNKWACVQALQ-KGLIPLIRSA-N 1 2 269.352 2.100 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373940268 395068425 /nfs/dbraw/zinc/06/84/25/395068425.db2.gz XFBQNKWACVQALQ-KGLIPLIRSA-N 1 2 269.352 2.100 20 30 CEEDLO C#CC[N@@H+](CC)Cc1cn(-c2ccccc2C)nn1 ZINC000289371566 395075782 /nfs/dbraw/zinc/07/57/82/395075782.db2.gz PFJAVWGEYIPZEE-UHFFFAOYSA-N 1 2 254.337 2.031 20 30 CEEDLO C#CC[N@H+](CC)Cc1cn(-c2ccccc2C)nn1 ZINC000289371566 395075786 /nfs/dbraw/zinc/07/57/86/395075786.db2.gz PFJAVWGEYIPZEE-UHFFFAOYSA-N 1 2 254.337 2.031 20 30 CEEDLO C#C[C@H]([NH2+]Cc1csc(N(C(C)=O)C2CC2)n1)C(C)C ZINC000289347340 395075820 /nfs/dbraw/zinc/07/58/20/395075820.db2.gz IRDXMMSOMURRCM-AWEZNQCLSA-N 1 2 291.420 2.406 20 30 CEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](CC#N)C[C@@H]21 ZINC000374594905 395084708 /nfs/dbraw/zinc/08/47/08/395084708.db2.gz MXGAUTSLRMSTGO-RWMBFGLXSA-N 1 2 279.384 2.135 20 30 CEEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CC#N)C[C@@H]21 ZINC000374594905 395084712 /nfs/dbraw/zinc/08/47/12/395084712.db2.gz MXGAUTSLRMSTGO-RWMBFGLXSA-N 1 2 279.384 2.135 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372168683 395036246 /nfs/dbraw/zinc/03/62/46/395036246.db2.gz IEAIAFAXNIBENB-SNVBAGLBSA-N 1 2 287.285 2.022 20 30 CEEDLO CCOC(=O)[C@@H]1C[N@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000343311695 395036490 /nfs/dbraw/zinc/03/64/90/395036490.db2.gz OXZUFDCSGBUTJA-OAHLLOKOSA-N 1 2 284.359 2.453 20 30 CEEDLO CCOC(=O)[C@@H]1C[N@@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000343311695 395036493 /nfs/dbraw/zinc/03/64/93/395036493.db2.gz OXZUFDCSGBUTJA-OAHLLOKOSA-N 1 2 284.359 2.453 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1ccco1 ZINC000173547785 395113863 /nfs/dbraw/zinc/11/38/63/395113863.db2.gz BWNIBILXPYLCAY-UHFFFAOYSA-N 1 2 277.368 2.158 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1ccco1 ZINC000173547785 395113869 /nfs/dbraw/zinc/11/38/69/395113869.db2.gz BWNIBILXPYLCAY-UHFFFAOYSA-N 1 2 277.368 2.158 20 30 CEEDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)C#N)[C@H](C)CC ZINC000346953351 395115308 /nfs/dbraw/zinc/11/53/08/395115308.db2.gz WOVOEJTZABIINV-VXGBXAGGSA-N 1 2 254.374 2.494 20 30 CEEDLO COCCCCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000174214944 395121181 /nfs/dbraw/zinc/12/11/81/395121181.db2.gz CGSBERUDIMJJAO-UHFFFAOYSA-N 1 2 266.341 2.149 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCc2nc(C(C)C)no2)c1 ZINC000174211636 395121465 /nfs/dbraw/zinc/12/14/65/395121465.db2.gz IVAVCFCDOBPDFV-UHFFFAOYSA-N 1 2 290.323 2.039 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376135616 395110537 /nfs/dbraw/zinc/11/05/37/395110537.db2.gz STGSVXSFSJXTJN-HUUCEWRRSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376135616 395110539 /nfs/dbraw/zinc/11/05/39/395110539.db2.gz STGSVXSFSJXTJN-HUUCEWRRSA-N 1 2 260.312 2.451 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000376181136 395111838 /nfs/dbraw/zinc/11/18/38/395111838.db2.gz KUAAYOXNPBOUEB-ZDUSSCGKSA-N 1 2 265.316 2.066 20 30 CEEDLO CCOC(=O)[C@@H](C)C/[NH+]=C/c1cccc(OC)c1O ZINC000175900065 395135180 /nfs/dbraw/zinc/13/51/80/395135180.db2.gz CHORHCVIOAMLOY-CNOAHFENSA-N 1 2 265.309 2.019 20 30 CEEDLO CC[C@](C)([NH2+]Cc1ccc(CC#N)cc1)C(=O)OC ZINC000428306037 395144955 /nfs/dbraw/zinc/14/49/55/395144955.db2.gz NULWJVXOGBEHFO-HNNXBMFYSA-N 1 2 260.337 2.184 20 30 CEEDLO COCc1ccc(C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348712566 395150193 /nfs/dbraw/zinc/15/01/93/395150193.db2.gz UUFCMZYXWWPCLU-UHFFFAOYSA-N 1 2 252.289 2.254 20 30 CEEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178132988 395161205 /nfs/dbraw/zinc/16/12/05/395161205.db2.gz GTWGOEPFERARRJ-SNVBAGLBSA-N 1 2 297.786 2.282 20 30 CEEDLO N#CC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCCC1 ZINC000178372341 395166128 /nfs/dbraw/zinc/16/61/28/395166128.db2.gz NBAYAMFRVCEEQS-UHFFFAOYSA-N 1 2 268.320 2.034 20 30 CEEDLO CC(=O)N1CC[N@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000182176386 395235515 /nfs/dbraw/zinc/23/55/15/395235515.db2.gz BRPPASWMWRJVHX-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO CC(=O)N1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000182176386 395235518 /nfs/dbraw/zinc/23/55/18/395235518.db2.gz BRPPASWMWRJVHX-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000516948489 395185162 /nfs/dbraw/zinc/18/51/62/395185162.db2.gz JCNPGXHFFADFHR-HIFRSBDPSA-N 1 2 289.379 2.223 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000293050651 395216896 /nfs/dbraw/zinc/21/68/96/395216896.db2.gz MJDKOUPLVRAEPK-GFCCVEGCSA-N 1 2 264.373 2.173 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000293161352 395222588 /nfs/dbraw/zinc/22/25/88/395222588.db2.gz OUCWEHITQIXPFX-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000293161352 395222595 /nfs/dbraw/zinc/22/25/95/395222595.db2.gz OUCWEHITQIXPFX-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO C=CCOc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000353002652 395283224 /nfs/dbraw/zinc/28/32/24/395283224.db2.gz JKNAFNMRKJSYES-UHFFFAOYSA-N 1 2 269.348 2.464 20 30 CEEDLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000187375624 395301144 /nfs/dbraw/zinc/30/11/44/395301144.db2.gz LKNGQOCWJQTGBG-OAHLLOKOSA-N 1 2 274.364 2.444 20 30 CEEDLO CCN(CC#N)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411212589 395322990 /nfs/dbraw/zinc/32/29/90/395322990.db2.gz KWWPISDNJVRMPZ-GFCCVEGCSA-N 1 2 297.362 2.249 20 30 CEEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490590 395259968 /nfs/dbraw/zinc/25/99/68/395259968.db2.gz KFKJCMJTLVWEDJ-CHWSQXEVSA-N 1 2 281.375 2.009 20 30 CEEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450585 395264939 /nfs/dbraw/zinc/26/49/39/395264939.db2.gz KAPNKQPFTPPDTB-SMDDNHRTSA-N 1 2 294.782 2.183 20 30 CEEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450585 395264944 /nfs/dbraw/zinc/26/49/44/395264944.db2.gz KAPNKQPFTPPDTB-SMDDNHRTSA-N 1 2 294.782 2.183 20 30 CEEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450584 395265507 /nfs/dbraw/zinc/26/55/07/395265507.db2.gz KAPNKQPFTPPDTB-RISCZKNCSA-N 1 2 294.782 2.183 20 30 CEEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439450584 395265512 /nfs/dbraw/zinc/26/55/12/395265512.db2.gz KAPNKQPFTPPDTB-RISCZKNCSA-N 1 2 294.782 2.183 20 30 CEEDLO Cn1c[nH+]cc1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355271895 395391533 /nfs/dbraw/zinc/39/15/33/395391533.db2.gz UENCCZALDWISOX-CQSZACIVSA-N 1 2 282.347 2.124 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000411554431 395329891 /nfs/dbraw/zinc/32/98/91/395329891.db2.gz QKCUHWHKHPPZRC-ZDUSSCGKSA-N 1 2 257.337 2.027 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000411554431 395329895 /nfs/dbraw/zinc/32/98/95/395329895.db2.gz QKCUHWHKHPPZRC-ZDUSSCGKSA-N 1 2 257.337 2.027 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000411877327 395341410 /nfs/dbraw/zinc/34/14/10/395341410.db2.gz RYMVOEIVQVJAEG-SUNKGSAMSA-N 1 2 294.424 2.237 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1cn2ccccc2c1C#N ZINC000191097119 395347648 /nfs/dbraw/zinc/34/76/48/395347648.db2.gz NMKADZKGEGUSLC-UHFFFAOYSA-N 1 2 269.348 2.445 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1cn2ccccc2c1C#N ZINC000191097119 395347651 /nfs/dbraw/zinc/34/76/51/395347651.db2.gz NMKADZKGEGUSLC-UHFFFAOYSA-N 1 2 269.348 2.445 20 30 CEEDLO CCN1CCN(c2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530534076 395457048 /nfs/dbraw/zinc/45/70/48/395457048.db2.gz RJDCKBHPSLNHNH-OAHLLOKOSA-N 1 2 281.363 2.165 20 30 CEEDLO CC[N@@H+]1CCN(c2ccc(C#N)cc2)C[C@@H]1c1ncc[nH]1 ZINC000530534076 395457050 /nfs/dbraw/zinc/45/70/50/395457050.db2.gz RJDCKBHPSLNHNH-OAHLLOKOSA-N 1 2 281.363 2.165 20 30 CEEDLO CC[N@H+]1CCN(c2ccc(C#N)cc2)C[C@@H]1c1ncc[nH]1 ZINC000530534076 395457053 /nfs/dbraw/zinc/45/70/53/395457053.db2.gz RJDCKBHPSLNHNH-OAHLLOKOSA-N 1 2 281.363 2.165 20 30 CEEDLO N#CCC[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000567689218 395534954 /nfs/dbraw/zinc/53/49/54/395534954.db2.gz FQIXGMQGXUSWQA-LBPRGKRZSA-N 1 2 277.755 2.339 20 30 CEEDLO Cc1cn2cc(NC(=O)NCC3(C#N)CCC3)ccc2[nH+]1 ZINC000573073468 395599410 /nfs/dbraw/zinc/59/94/10/395599410.db2.gz TWKUQWMZAZFWFH-UHFFFAOYSA-N 1 2 283.335 2.458 20 30 CEEDLO CSCc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000568742157 395568970 /nfs/dbraw/zinc/56/89/70/395568970.db2.gz LDRLAWYZZNOONP-HNNXBMFYSA-N 1 2 293.436 2.168 20 30 CEEDLO CSCc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000568742157 395568971 /nfs/dbraw/zinc/56/89/71/395568971.db2.gz LDRLAWYZZNOONP-HNNXBMFYSA-N 1 2 293.436 2.168 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(Cc2ccccc2C)n1 ZINC000568839832 395570745 /nfs/dbraw/zinc/57/07/45/395570745.db2.gz ZKOXOGHMVFYLDO-CABCVRRESA-N 1 2 299.374 2.402 20 30 CEEDLO N#CCCC1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000569696988 395580391 /nfs/dbraw/zinc/58/03/91/395580391.db2.gz UJKTZKGZNHVSHM-UHFFFAOYSA-N 1 2 296.374 2.419 20 30 CEEDLO CCOc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1C ZINC000572870835 395592147 /nfs/dbraw/zinc/59/21/47/395592147.db2.gz GLWDDKNXLSRQAW-HNNXBMFYSA-N 1 2 291.395 2.012 20 30 CEEDLO CCOc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1C ZINC000572870835 395592149 /nfs/dbraw/zinc/59/21/49/395592149.db2.gz GLWDDKNXLSRQAW-HNNXBMFYSA-N 1 2 291.395 2.012 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000456007519 395632541 /nfs/dbraw/zinc/63/25/41/395632541.db2.gz RJAIGTVZSOSJJP-GFCCVEGCSA-N 1 2 283.335 2.273 20 30 CEEDLO COCCCOC1C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459590148 395666470 /nfs/dbraw/zinc/66/64/70/395666470.db2.gz JHIMVPKBKZQAFS-UHFFFAOYSA-N 1 2 274.364 2.104 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)n1 ZINC000459709132 395666617 /nfs/dbraw/zinc/66/66/17/395666617.db2.gz JLBCMDAWLWBFSL-NEPJUHHUSA-N 1 2 275.377 2.016 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)n1 ZINC000459709132 395666619 /nfs/dbraw/zinc/66/66/19/395666619.db2.gz JLBCMDAWLWBFSL-NEPJUHHUSA-N 1 2 275.377 2.016 20 30 CEEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1C#N ZINC000488006937 395667775 /nfs/dbraw/zinc/66/77/75/395667775.db2.gz HEQUURHDRLXLHL-SJORKVTESA-N 1 2 298.386 2.437 20 30 CEEDLO Cc1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1C#N ZINC000488006937 395667776 /nfs/dbraw/zinc/66/77/76/395667776.db2.gz HEQUURHDRLXLHL-SJORKVTESA-N 1 2 298.386 2.437 20 30 CEEDLO N#C[C@@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000217117829 400306845 /nfs/dbraw/zinc/30/68/45/400306845.db2.gz BQHXNSATIGPOJA-IBHBGHMQSA-N 1 2 260.381 2.427 20 30 CEEDLO N#C[C@@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000217117829 400306849 /nfs/dbraw/zinc/30/68/49/400306849.db2.gz BQHXNSATIGPOJA-IBHBGHMQSA-N 1 2 260.381 2.427 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1F ZINC000192139809 153204618 /nfs/dbraw/zinc/20/46/18/153204618.db2.gz TZIHFAGIXMPHRO-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1F ZINC000192139809 153204622 /nfs/dbraw/zinc/20/46/22/153204622.db2.gz TZIHFAGIXMPHRO-UHFFFAOYSA-N 1 2 260.312 2.452 20 30 CEEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000230347627 153388124 /nfs/dbraw/zinc/38/81/24/153388124.db2.gz SIGFSVLRWXXKJD-UHFFFAOYSA-N 1 2 293.373 2.230 20 30 CEEDLO N#Cc1ccccc1C[NH2+][C@H](CO)c1ccsc1 ZINC000346580898 154294082 /nfs/dbraw/zinc/29/40/82/154294082.db2.gz ZGISLYPYBHUAMS-CQSZACIVSA-N 1 2 258.346 2.443 20 30 CEEDLO COC1(C[NH2+]CCOc2ccc(C#N)cc2)CCCC1 ZINC000359726073 155123132 /nfs/dbraw/zinc/12/31/32/155123132.db2.gz WTBZGYCCSSJVEY-UHFFFAOYSA-N 1 2 274.364 2.486 20 30 CEEDLO C[C@@H]1COCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000368438460 156346287 /nfs/dbraw/zinc/34/62/87/156346287.db2.gz LODCVUPERIRLIL-CYBMUJFWSA-N 1 2 296.374 2.179 20 30 CEEDLO C[C@@H]1COCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000368438460 156346292 /nfs/dbraw/zinc/34/62/92/156346292.db2.gz LODCVUPERIRLIL-CYBMUJFWSA-N 1 2 296.374 2.179 20 30 CEEDLO N#Cc1cccc([C@@H]2C[N@H+](CC3=CCCOC3)CCO2)c1 ZINC000371463975 156668874 /nfs/dbraw/zinc/66/88/74/156668874.db2.gz NAPVGHVGOOKLNR-KRWDZBQOSA-N 1 2 284.359 2.278 20 30 CEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CC3=CCCOC3)CCO2)c1 ZINC000371463975 156668876 /nfs/dbraw/zinc/66/88/76/156668876.db2.gz NAPVGHVGOOKLNR-KRWDZBQOSA-N 1 2 284.359 2.278 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2cc(C)nc2C1 ZINC000374697773 157004622 /nfs/dbraw/zinc/00/46/22/157004622.db2.gz PHFTVHLQLGPGDE-UHFFFAOYSA-N 1 2 282.347 2.088 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2cc(C)nc2C1 ZINC000374697773 157004626 /nfs/dbraw/zinc/00/46/26/157004626.db2.gz PHFTVHLQLGPGDE-UHFFFAOYSA-N 1 2 282.347 2.088 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(C#N)ccn1 ZINC000376391045 157215865 /nfs/dbraw/zinc/21/58/65/157215865.db2.gz IJUBXYUQNOTNFT-UHFFFAOYSA-N 1 2 267.336 2.122 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccncc2OC)nn1 ZINC000653634789 415059991 /nfs/dbraw/zinc/05/99/91/415059991.db2.gz JDPWLBBEWLZURN-GFCCVEGCSA-N 1 2 287.367 2.109 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000653757664 415094925 /nfs/dbraw/zinc/09/49/25/415094925.db2.gz YXXQNSHPBUYIKI-SMDDNHRTSA-N 1 2 287.363 2.498 20 30 CEEDLO Cc1nnc(NCCCCn2cc[nH+]c2)c(C#N)c1C ZINC000045109549 175309495 /nfs/dbraw/zinc/30/94/95/175309495.db2.gz QOWCGDKYOXFDPQ-UHFFFAOYSA-N 1 2 270.340 2.054 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)o2)C1 ZINC000661386896 415234897 /nfs/dbraw/zinc/23/48/97/415234897.db2.gz WCOCZVSXAUQGKX-GFCCVEGCSA-N 1 2 283.393 2.471 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)o2)C1 ZINC000661386896 415234903 /nfs/dbraw/zinc/23/49/03/415234903.db2.gz WCOCZVSXAUQGKX-GFCCVEGCSA-N 1 2 283.393 2.471 20 30 CEEDLO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156340 415234884 /nfs/dbraw/zinc/23/48/84/415234884.db2.gz IMRPVRRJPJBBQA-VXGBXAGGSA-N 1 2 264.373 2.176 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnn(C(C)(C)C)n1 ZINC000662088241 415619242 /nfs/dbraw/zinc/61/92/42/415619242.db2.gz AZZHAAZDOMWKNL-TXEJJXNPSA-N 1 2 261.373 2.111 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnn(C(C)(C)C)n1 ZINC000662088241 415619248 /nfs/dbraw/zinc/61/92/48/415619248.db2.gz AZZHAAZDOMWKNL-TXEJJXNPSA-N 1 2 261.373 2.111 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc[nH+]c(C)c1OC ZINC000656182754 415620484 /nfs/dbraw/zinc/62/04/84/415620484.db2.gz MQUMKPMMGHVXMJ-RYUDHWBXSA-N 1 2 263.341 2.187 20 30 CEEDLO C=CCn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000656445783 415707589 /nfs/dbraw/zinc/70/75/89/415707589.db2.gz VVHGIXIDAIJEHO-UHFFFAOYSA-N 1 2 267.336 2.479 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000332010881 228143594 /nfs/dbraw/zinc/14/35/94/228143594.db2.gz XZFPHHVJPOOQSR-IINYFYTJSA-N 1 2 276.311 2.474 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000333678015 228209880 /nfs/dbraw/zinc/20/98/80/228209880.db2.gz ZHPKSFQPVYBRMR-BPUTZDHNSA-N 1 2 283.375 2.464 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2NCC(C)(C)CCC#N ZINC000352206204 228198868 /nfs/dbraw/zinc/19/88/68/228198868.db2.gz LIJZDOTWIIIDCK-UHFFFAOYSA-N 1 2 258.329 2.105 20 30 CEEDLO CCC1(CC)CN(C[NH+]2CCC(C#N)CC2)C(=O)O1 ZINC000180235217 260096154 /nfs/dbraw/zinc/09/61/54/260096154.db2.gz IZGCGXYRNOQJPY-UHFFFAOYSA-N 1 2 265.357 2.190 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)OCC ZINC000299040738 260170416 /nfs/dbraw/zinc/17/04/16/260170416.db2.gz RTEYTNBFRVRHDY-GFCCVEGCSA-N 1 2 251.326 2.262 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)OCC ZINC000299040738 260170417 /nfs/dbraw/zinc/17/04/17/260170417.db2.gz RTEYTNBFRVRHDY-GFCCVEGCSA-N 1 2 251.326 2.262 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCc2noc(C3CC3)n2)cc1F ZINC000067098423 260250664 /nfs/dbraw/zinc/25/06/64/260250664.db2.gz PGFKCVOSNUXWAM-UHFFFAOYSA-N 1 2 290.298 2.232 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000448361217 261127934 /nfs/dbraw/zinc/12/79/34/261127934.db2.gz GFTNNHIJPWTJMG-HNNXBMFYSA-N 1 2 298.390 2.453 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000448361217 261127936 /nfs/dbraw/zinc/12/79/36/261127936.db2.gz GFTNNHIJPWTJMG-HNNXBMFYSA-N 1 2 298.390 2.453 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000161856628 261262326 /nfs/dbraw/zinc/26/23/26/261262326.db2.gz LMZKEDXKMKSGJF-LBPRGKRZSA-N 1 2 287.363 2.452 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000161856628 261262328 /nfs/dbraw/zinc/26/23/28/261262328.db2.gz LMZKEDXKMKSGJF-LBPRGKRZSA-N 1 2 287.363 2.452 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)Nc1cc[nH+]cc1C ZINC000491145365 261348978 /nfs/dbraw/zinc/34/89/78/261348978.db2.gz KYVOHGKMPNPHRY-UHFFFAOYSA-N 1 2 279.343 2.479 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000184084620 262007941 /nfs/dbraw/zinc/00/79/41/262007941.db2.gz BJWHUNNRLWORLJ-NSHDSACASA-N 1 2 263.297 2.385 20 30 CEEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(CC)CCC#N)cs1 ZINC000184745731 262027485 /nfs/dbraw/zinc/02/74/85/262027485.db2.gz SRCZWRMYSPFHAZ-LLVKDONJSA-N 1 2 294.424 2.118 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCC[C@@H]2CCCO2)cc1F ZINC000189248420 262169782 /nfs/dbraw/zinc/16/97/82/262169782.db2.gz LFPRGFVMFOXOGH-LBPRGKRZSA-N 1 2 266.316 2.340 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+](C)CC(C)(C)C#N)cc12 ZINC000354018651 262276209 /nfs/dbraw/zinc/27/62/09/262276209.db2.gz RAPOSBYTHPZBSA-UHFFFAOYSA-N 1 2 271.368 2.258 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+](C)CC(C)(C)C#N)cc12 ZINC000354018651 262276211 /nfs/dbraw/zinc/27/62/11/262276211.db2.gz RAPOSBYTHPZBSA-UHFFFAOYSA-N 1 2 271.368 2.258 20 30 CEEDLO N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CCCCC1 ZINC000369133516 262352599 /nfs/dbraw/zinc/35/25/99/262352599.db2.gz DHQNYYFRAUUPFC-TZMCWYRMSA-N 1 2 286.379 2.418 20 30 CEEDLO N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)C1CCCCC1 ZINC000369133516 262352600 /nfs/dbraw/zinc/35/26/00/262352600.db2.gz DHQNYYFRAUUPFC-TZMCWYRMSA-N 1 2 286.379 2.418 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272079492 263002124 /nfs/dbraw/zinc/00/21/24/263002124.db2.gz 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/nfs/dbraw/zinc/08/65/67/263086567.db2.gz MUNWVZNBDMQIMU-AWEZNQCLSA-N 1 2 262.353 2.395 20 30 CEEDLO NC(=[NH+]OCc1coc(-c2cccs2)n1)[C@H]1CCCO1 ZINC000284477567 263087133 /nfs/dbraw/zinc/08/71/33/263087133.db2.gz RQOCOYHHVKXFRS-SNVBAGLBSA-N 1 2 293.348 2.371 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000285338537 263092300 /nfs/dbraw/zinc/09/23/00/263092300.db2.gz OOAFYYNJJMBNTF-RISCZKNCSA-N 1 2 260.341 2.056 20 30 CEEDLO CCN(CC)c1ccc(/C=[NH+]/[C@@H](CF)C(=O)OC)c(O)c1 ZINC000287193373 263101209 /nfs/dbraw/zinc/10/12/09/263101209.db2.gz LDNRAXGOURAGHI-VZWMTCDZSA-N 1 2 296.342 2.168 20 30 CEEDLO Cc1nc(CC(N)=[NH+]OCc2scnc2C)cs1 ZINC000289373094 263109679 /nfs/dbraw/zinc/10/96/79/263109679.db2.gz KLCMLEURFNDSDR-UHFFFAOYSA-N 1 2 282.394 2.248 20 30 CEEDLO Cc1cc(NC(=O)CCCC#N)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000291247357 263121171 /nfs/dbraw/zinc/12/11/71/263121171.db2.gz BQIGUXOXJKESIN-UHFFFAOYSA-N 1 2 298.350 2.220 20 30 CEEDLO COCC1(CO[NH+]=C(N)COc2ccccc2F)CCC1 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WNHVEXGUYVSEFX-KRWDZBQOSA-N 1 2 293.370 2.271 20 30 CEEDLO C=CCN(C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CC1 ZINC000378377804 329048060 /nfs/dbraw/zinc/04/80/60/329048060.db2.gz MPSOEQCPTDRALJ-CQSZACIVSA-N 1 2 285.391 2.475 20 30 CEEDLO C#CCOc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000378405862 329049286 /nfs/dbraw/zinc/04/92/86/329049286.db2.gz SLOOHVLHJIMTEP-OAHLLOKOSA-N 1 2 295.342 2.399 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000181334266 329232037 /nfs/dbraw/zinc/23/20/37/329232037.db2.gz MUOFFNPOCHFTKD-UHFFFAOYSA-N 1 2 287.319 2.473 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000181334266 329232038 /nfs/dbraw/zinc/23/20/38/329232038.db2.gz MUOFFNPOCHFTKD-UHFFFAOYSA-N 1 2 287.319 2.473 20 30 CEEDLO CC#CCCCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186060342 329336928 /nfs/dbraw/zinc/33/69/28/329336928.db2.gz ZRZUTZVVAOXRLC-UHFFFAOYSA-N 1 2 285.391 2.314 20 30 CEEDLO C#CC[N@@H+](Cc1cc(F)cc2c1OCOC2)C1CC1 ZINC000274186925 330103547 /nfs/dbraw/zinc/10/35/47/330103547.db2.gz POSNOICRXFGXAK-UHFFFAOYSA-N 1 2 261.296 2.290 20 30 CEEDLO C#CC[N@H+](Cc1cc(F)cc2c1OCOC2)C1CC1 ZINC000274186925 330103548 /nfs/dbraw/zinc/10/35/48/330103548.db2.gz POSNOICRXFGXAK-UHFFFAOYSA-N 1 2 261.296 2.290 20 30 CEEDLO Cc1ccc(CCCC(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000574992553 330127461 /nfs/dbraw/zinc/12/74/61/330127461.db2.gz ORZJJHFXJAXVCT-OAHLLOKOSA-N 1 2 293.436 2.339 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431851593 330589655 /nfs/dbraw/zinc/58/96/55/330589655.db2.gz PZYPHIPIIHJEHF-AWEZNQCLSA-N 1 2 296.374 2.234 20 30 CEEDLO C=CCC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000449042012 330894878 /nfs/dbraw/zinc/89/48/78/330894878.db2.gz PKBLONLQHXPREZ-UHFFFAOYSA-N 1 2 294.439 2.350 20 30 CEEDLO O[C@@]1(C(F)F)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451440966 331029650 /nfs/dbraw/zinc/02/96/50/331029650.db2.gz XYWOZUONPGMRNH-AWEZNQCLSA-N 1 2 285.721 2.393 20 30 CEEDLO O[C@@]1(C(F)F)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451440966 331029651 /nfs/dbraw/zinc/02/96/51/331029651.db2.gz XYWOZUONPGMRNH-AWEZNQCLSA-N 1 2 285.721 2.393 20 30 CEEDLO C=C(C)CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000452718575 331073427 /nfs/dbraw/zinc/07/34/27/331073427.db2.gz QENFRLLGAUAYMO-ZIAGYGMSSA-N 1 2 273.380 2.236 20 30 CEEDLO C=C(CC)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000454548562 331148647 /nfs/dbraw/zinc/14/86/47/331148647.db2.gz MDWBVTIXADWOIT-UHFFFAOYSA-N 1 2 264.373 2.305 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456346512 331190325 /nfs/dbraw/zinc/19/03/25/331190325.db2.gz HHBLOCPVJBSQIE-GFCCVEGCSA-N 1 2 272.352 2.382 20 30 CEEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456441057 331192732 /nfs/dbraw/zinc/19/27/32/331192732.db2.gz ZCFAHEQJFOEJBE-NEPJUHHUSA-N 1 2 270.336 2.306 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000459457928 331282358 /nfs/dbraw/zinc/28/23/58/331282358.db2.gz DWKNWTHUNLISNW-SKDRFNHKSA-N 1 2 279.290 2.185 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000489056464 332039768 /nfs/dbraw/zinc/03/97/68/332039768.db2.gz YHTVZEMYHPNZEN-ZDUSSCGKSA-N 1 2 284.363 2.178 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000489451935 332053611 /nfs/dbraw/zinc/05/36/11/332053611.db2.gz VDXQENAIXBEWAE-GHMZBOCLSA-N 1 2 276.302 2.190 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000489451935 332053612 /nfs/dbraw/zinc/05/36/12/332053612.db2.gz VDXQENAIXBEWAE-GHMZBOCLSA-N 1 2 276.302 2.190 20 30 CEEDLO C#CC(C)(C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000490657262 332100848 /nfs/dbraw/zinc/10/08/48/332100848.db2.gz SAPLIYDFCBFZJF-UHFFFAOYSA-N 1 2 253.305 2.014 20 30 CEEDLO C#CC(C)(C)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491022488 332140171 /nfs/dbraw/zinc/14/01/71/332140171.db2.gz RPAZDPOSSYTKHS-UHFFFAOYSA-N 1 2 269.348 2.263 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000491285264 332181076 /nfs/dbraw/zinc/18/10/76/332181076.db2.gz CAZXSKKSMNOJEQ-BBRMVZONSA-N 1 2 262.397 2.326 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000491285264 332181078 /nfs/dbraw/zinc/18/10/78/332181078.db2.gz CAZXSKKSMNOJEQ-BBRMVZONSA-N 1 2 262.397 2.326 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000491372158 332198977 /nfs/dbraw/zinc/19/89/77/332198977.db2.gz ICMCXIRPNKVSEH-CQSZACIVSA-N 1 2 253.349 2.385 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000491372158 332198978 /nfs/dbraw/zinc/19/89/78/332198978.db2.gz ICMCXIRPNKVSEH-CQSZACIVSA-N 1 2 253.349 2.385 20 30 CEEDLO C#C[C@@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000491372158 332198979 /nfs/dbraw/zinc/19/89/79/332198979.db2.gz ICMCXIRPNKVSEH-CQSZACIVSA-N 1 2 253.349 2.385 20 30 CEEDLO C#C[C@H](NC(=O)Nc1cc[nH+]c(C)c1)c1ccc(F)cc1 ZINC000491544894 332234564 /nfs/dbraw/zinc/23/45/64/332234564.db2.gz NZGKFPHKLUSJPV-HNNXBMFYSA-N 1 2 283.306 2.447 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1cn(-c2ccccc2C)nn1 ZINC000491568021 332239666 /nfs/dbraw/zinc/23/96/66/332239666.db2.gz OLGGTIQTWZREJT-ZDUSSCGKSA-N 1 2 254.337 2.029 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(-c2ccccc2C)nn1 ZINC000491568021 332239667 /nfs/dbraw/zinc/23/96/67/332239667.db2.gz OLGGTIQTWZREJT-ZDUSSCGKSA-N 1 2 254.337 2.029 20 30 CEEDLO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC000491617569 332244252 /nfs/dbraw/zinc/24/42/52/332244252.db2.gz BOGFWBXLCWAZLA-DOMZBBRYSA-N 1 2 285.322 2.464 20 30 CEEDLO C#CC[N@@H+](CCC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491677355 332282179 /nfs/dbraw/zinc/28/21/79/332282179.db2.gz YHUYOZFTESFNRJ-INIZCTEOSA-N 1 2 297.464 2.469 20 30 CEEDLO C#CC[N@H+](CCC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491677355 332282180 /nfs/dbraw/zinc/28/21/80/332282180.db2.gz YHUYOZFTESFNRJ-INIZCTEOSA-N 1 2 297.464 2.469 20 30 CEEDLO C#C[C@H](CC)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000491694282 332290322 /nfs/dbraw/zinc/29/03/22/332290322.db2.gz FFVNUCPAPXQNBN-CQSZACIVSA-N 1 2 290.411 2.279 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000491728709 332311285 /nfs/dbraw/zinc/31/12/85/332311285.db2.gz BINKCIQNSHNRFL-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000491728709 332311286 /nfs/dbraw/zinc/31/12/86/332311286.db2.gz BINKCIQNSHNRFL-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000491754004 332329298 /nfs/dbraw/zinc/32/92/98/332329298.db2.gz QYCARLBMDNTDJI-JTQLQIEISA-N 1 2 273.361 2.188 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000491754004 332329299 /nfs/dbraw/zinc/32/92/99/332329299.db2.gz QYCARLBMDNTDJI-JTQLQIEISA-N 1 2 273.361 2.188 20 30 CEEDLO C#C[C@@H]([NH2+]CN1CCC(=O)CC1)c1ccc(Cl)cc1 ZINC000491773228 332339587 /nfs/dbraw/zinc/33/95/87/332339587.db2.gz VGRAZNLCTCJCKO-OAHLLOKOSA-N 1 2 276.767 2.226 20 30 CEEDLO C#CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000491792966 332353488 /nfs/dbraw/zinc/35/34/88/332353488.db2.gz IRBPHIUTKCVVSH-CQSZACIVSA-N 1 2 285.391 2.240 20 30 CEEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C2CC2)CC1 ZINC000491802540 332356698 /nfs/dbraw/zinc/35/66/98/332356698.db2.gz GOKKDEUIYOEWCD-UHFFFAOYSA-N 1 2 299.422 2.026 20 30 CEEDLO CC#CCCCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000185660594 333146071 /nfs/dbraw/zinc/14/60/71/333146071.db2.gz IIXNXCQESVFNRB-UHFFFAOYSA-N 1 2 261.369 2.349 20 30 CEEDLO C[N@@H+](CCC#N)CCOCC(F)(F)C(F)(F)F ZINC000189525546 333194262 /nfs/dbraw/zinc/19/42/62/333194262.db2.gz GVKAHZAJCMRMOL-UHFFFAOYSA-N 1 2 260.206 2.046 20 30 CEEDLO C[N@H+](CCC#N)CCOCC(F)(F)C(F)(F)F ZINC000189525546 333194263 /nfs/dbraw/zinc/19/42/63/333194263.db2.gz GVKAHZAJCMRMOL-UHFFFAOYSA-N 1 2 260.206 2.046 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000192227282 333233122 /nfs/dbraw/zinc/23/31/22/333233122.db2.gz ZETRLFMWSZNVFX-HNNXBMFYSA-N 1 2 258.365 2.209 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000192227282 333233123 /nfs/dbraw/zinc/23/31/23/333233123.db2.gz ZETRLFMWSZNVFX-HNNXBMFYSA-N 1 2 258.365 2.209 20 30 CEEDLO C=CCSCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000194630193 333274074 /nfs/dbraw/zinc/27/40/74/333274074.db2.gz TYJLNDGOFMSQEX-UHFFFAOYSA-N 1 2 294.424 2.102 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)CC#N ZINC000194660783 333275006 /nfs/dbraw/zinc/27/50/06/333275006.db2.gz PTFPMYPQXOROFU-LLVKDONJSA-N 1 2 270.336 2.017 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCCCCC1 ZINC000250045602 333301955 /nfs/dbraw/zinc/30/19/55/333301955.db2.gz VSRMNKYIIMEUIB-ZIAGYGMSSA-N 1 2 265.401 2.259 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCCCCC1 ZINC000250045602 333301957 /nfs/dbraw/zinc/30/19/57/333301957.db2.gz VSRMNKYIIMEUIB-ZIAGYGMSSA-N 1 2 265.401 2.259 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000542690138 333836575 /nfs/dbraw/zinc/83/65/75/333836575.db2.gz IBJZAELBQUMILT-LBPRGKRZSA-N 1 2 252.321 2.393 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000546681772 334045618 /nfs/dbraw/zinc/04/56/18/334045618.db2.gz IEETXEWUCZQALS-LLVKDONJSA-N 1 2 285.351 2.199 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000546681772 334045620 /nfs/dbraw/zinc/04/56/20/334045620.db2.gz IEETXEWUCZQALS-LLVKDONJSA-N 1 2 285.351 2.199 20 30 CEEDLO N#CCCC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000554398419 334428365 /nfs/dbraw/zinc/42/83/65/334428365.db2.gz RCVGRHJYBFYIPD-OAHLLOKOSA-N 1 2 282.347 2.434 20 30 CEEDLO C=CC[C@H](C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000157409501 334769656 /nfs/dbraw/zinc/76/96/56/334769656.db2.gz NYKGQYQRJWFQFB-JSGCOSHPSA-N 1 2 275.352 2.209 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc2ccccc2c1 ZINC000569296018 334865843 /nfs/dbraw/zinc/86/58/43/334865843.db2.gz VRPZZSIRBBBJMT-SFHVURJKSA-N 1 2 295.386 2.342 20 30 CEEDLO Cc1ccn2cc(C[NH2+]C[C@H](C#N)CCC#N)nc2c1 ZINC000576339838 335191156 /nfs/dbraw/zinc/19/11/56/335191156.db2.gz YKUZZGUYQCAJRP-ZDUSSCGKSA-N 1 2 267.336 2.176 20 30 CEEDLO Cc1ccc(Cl)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576469191 335208059 /nfs/dbraw/zinc/20/80/59/335208059.db2.gz NXDTVOUSERLIBN-AWEZNQCLSA-N 1 2 279.771 2.222 20 30 CEEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000336442414 533778312 /nfs/dbraw/zinc/77/83/12/533778312.db2.gz ZOUQPTDRZNQDET-UHFFFAOYSA-N 1 2 291.782 2.206 20 30 CEEDLO COc1cc(CNc2[nH+]c(C)nc3[nH]ccc32)ccc1C#N ZINC000357620238 533830898 /nfs/dbraw/zinc/83/08/98/533830898.db2.gz UPSYJBOKUUYPTB-UHFFFAOYSA-N 1 2 293.330 2.181 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C[C@@H](C)C#N)c1 ZINC000344237179 534241270 /nfs/dbraw/zinc/24/12/70/534241270.db2.gz OVBHTLKNVFEEMG-ZDUSSCGKSA-N 1 2 282.347 2.412 20 30 CEEDLO N#CC1(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329045148 534550594 /nfs/dbraw/zinc/55/05/94/534550594.db2.gz PNBMJAWQZYQRBF-LLVKDONJSA-N 1 2 258.325 2.040 20 30 CEEDLO N#CC1(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329045148 534550597 /nfs/dbraw/zinc/55/05/97/534550597.db2.gz PNBMJAWQZYQRBF-LLVKDONJSA-N 1 2 258.325 2.040 20 30 CEEDLO CN(Cc1[nH+]ccn1C)Cc1ccc(C#N)cc1F ZINC000062251945 523593035 /nfs/dbraw/zinc/59/30/35/523593035.db2.gz HCXFNVUBZRECMC-UHFFFAOYSA-N 1 2 258.300 2.063 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1cc(C#N)c2ccccc2n1 ZINC000068796393 523594976 /nfs/dbraw/zinc/59/49/76/523594976.db2.gz HXXCHAIYQLONMG-UHFFFAOYSA-N 1 2 277.331 2.476 20 30 CEEDLO [O-]C(NCC1(C2CC2)CCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330196009 534750879 /nfs/dbraw/zinc/75/08/79/534750879.db2.gz POBOXDDJRIVXED-CYBMUJFWSA-N 1 2 288.395 2.282 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1(C2CC2)CCC1 ZINC000330196009 534750882 /nfs/dbraw/zinc/75/08/82/534750882.db2.gz POBOXDDJRIVXED-CYBMUJFWSA-N 1 2 288.395 2.282 20 30 CEEDLO C=C(C)CN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000353701981 526490385 /nfs/dbraw/zinc/49/03/85/526490385.db2.gz PTTHXVUKQAQXRW-UHFFFAOYSA-N 1 2 258.325 2.052 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346840029 526573691 /nfs/dbraw/zinc/57/36/91/526573691.db2.gz UIVZKDJYWWBRQW-QGZVFWFLSA-N 1 2 299.349 2.202 20 30 CEEDLO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366533766 526738791 /nfs/dbraw/zinc/73/87/91/526738791.db2.gz UCQJSBPJOJDOFY-MSOLQXFVSA-N 1 2 293.370 2.381 20 30 CEEDLO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366533766 526738793 /nfs/dbraw/zinc/73/87/93/526738793.db2.gz UCQJSBPJOJDOFY-MSOLQXFVSA-N 1 2 293.370 2.381 20 30 CEEDLO C=CC[C@@H](C)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352746620 527028377 /nfs/dbraw/zinc/02/83/77/527028377.db2.gz AHIFCVQHGCDZOI-GFCCVEGCSA-N 1 2 285.351 2.413 20 30 CEEDLO C=CCCCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352754338 527223145 /nfs/dbraw/zinc/22/31/45/527223145.db2.gz UEOVTJRLPCTCRG-UHFFFAOYSA-N 1 2 285.351 2.414 20 30 CEEDLO CC(C)(C#N)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000355989924 527490732 /nfs/dbraw/zinc/49/07/32/527490732.db2.gz OPQAHOMUENVYIU-UHFFFAOYSA-N 1 2 282.347 2.183 20 30 CEEDLO C=CCN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355921436 527562870 /nfs/dbraw/zinc/56/28/70/527562870.db2.gz QPPWVGQIWHDQOV-UHFFFAOYSA-N 1 2 269.348 2.118 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000353575206 527594685 /nfs/dbraw/zinc/59/46/85/527594685.db2.gz YVYWGHIGYAWUTL-RNFRBKRXSA-N 1 2 266.288 2.359 20 30 CEEDLO CCOCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)no1 ZINC000353616384 529079544 /nfs/dbraw/zinc/07/95/44/529079544.db2.gz CCDRPXINVGYMCW-QJPTWQEYSA-N 1 2 278.356 2.339 20 30 CEEDLO FC(F)CNN=Cc1ccc(C=[NH+]NCC(F)F)cc1 ZINC000740618705 574472988 /nfs/dbraw/zinc/47/29/88/574472988.db2.gz XPJAEBZLFWPYCG-UHFFFAOYSA-N 1 2 290.264 2.064 20 30 CEEDLO C#Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)nc1 ZINC000728982583 574474323 /nfs/dbraw/zinc/47/43/23/574474323.db2.gz HTSBTFQGGAXIDD-OAHLLOKOSA-N 1 2 296.374 2.104 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000730060474 574499676 /nfs/dbraw/zinc/49/96/76/574499676.db2.gz XSJUVEOBRPFQRQ-NSHDSACASA-N 1 2 258.793 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000730060474 574499677 /nfs/dbraw/zinc/49/96/77/574499677.db2.gz XSJUVEOBRPFQRQ-NSHDSACASA-N 1 2 258.793 2.366 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000730096029 574501303 /nfs/dbraw/zinc/50/13/03/574501303.db2.gz JUCXYEMFJFLBLO-AWEZNQCLSA-N 1 2 283.331 2.172 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C)nc2c1 ZINC000730096029 574501306 /nfs/dbraw/zinc/50/13/06/574501306.db2.gz JUCXYEMFJFLBLO-AWEZNQCLSA-N 1 2 283.331 2.172 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000730095511 574501419 /nfs/dbraw/zinc/50/14/19/574501419.db2.gz INEBMTBXCQOXEU-ZDUSSCGKSA-N 1 2 294.301 2.324 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000730095511 574501420 /nfs/dbraw/zinc/50/14/20/574501420.db2.gz INEBMTBXCQOXEU-ZDUSSCGKSA-N 1 2 294.301 2.324 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cc1F ZINC000730096422 574501468 /nfs/dbraw/zinc/50/14/68/574501468.db2.gz OVPRAKNHFRQGIQ-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cc1F ZINC000730096422 574501469 /nfs/dbraw/zinc/50/14/69/574501469.db2.gz OVPRAKNHFRQGIQ-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000730105049 574501723 /nfs/dbraw/zinc/50/17/23/574501723.db2.gz AEXYOZCZXQZPEN-KRWDZBQOSA-N 1 2 297.402 2.323 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000730105049 574501725 /nfs/dbraw/zinc/50/17/25/574501725.db2.gz AEXYOZCZXQZPEN-KRWDZBQOSA-N 1 2 297.402 2.323 20 30 CEEDLO COc1ccc[nH+]c1N1CCN(c2ccc(C#N)cc2)CC1 ZINC000730108686 574501873 /nfs/dbraw/zinc/50/18/73/574501873.db2.gz IGMWGJYBPCQISZ-UHFFFAOYSA-N 1 2 294.358 2.288 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000730819342 574578938 /nfs/dbraw/zinc/57/89/38/574578938.db2.gz RWYCTFGOWSGKKD-NSHDSACASA-N 1 2 257.293 2.255 20 30 CEEDLO CCCCCCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000754845940 574609940 /nfs/dbraw/zinc/60/99/40/574609940.db2.gz BOEBDHKKZHPISN-HNNXBMFYSA-N 1 2 299.459 2.367 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000732060312 574611862 /nfs/dbraw/zinc/61/18/62/574611862.db2.gz SDLFGAGPURHGCW-HNNXBMFYSA-N 1 2 295.342 2.378 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000732060312 574611864 /nfs/dbraw/zinc/61/18/64/574611864.db2.gz SDLFGAGPURHGCW-HNNXBMFYSA-N 1 2 295.342 2.378 20 30 CEEDLO C=CC[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000734653111 574724076 /nfs/dbraw/zinc/72/40/76/574724076.db2.gz ZCXITWFMEURAMH-DZGCQCFKSA-N 1 2 299.378 2.283 20 30 CEEDLO C=CC[N@H+](Cc1ccno1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426715 574757765 /nfs/dbraw/zinc/75/77/65/574757765.db2.gz UVFFBMZPPQOTLG-UHFFFAOYSA-N 1 2 296.334 2.043 20 30 CEEDLO C=CC[N@@H+](Cc1ccno1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426715 574757766 /nfs/dbraw/zinc/75/77/66/574757766.db2.gz UVFFBMZPPQOTLG-UHFFFAOYSA-N 1 2 296.334 2.043 20 30 CEEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)C#N)n1 ZINC000736673821 574794472 /nfs/dbraw/zinc/79/44/72/574794472.db2.gz VEBBWOBTZFZFBT-SECBINFHSA-N 1 2 266.370 2.083 20 30 CEEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)C#N)n1 ZINC000736674260 574794491 /nfs/dbraw/zinc/79/44/91/574794491.db2.gz VEBBWOBTZFZFBT-VIFPVBQESA-N 1 2 266.370 2.083 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)Cc2csc3ccccc23)CC1 ZINC000744419234 575120928 /nfs/dbraw/zinc/12/09/28/575120928.db2.gz UUNLFOJEXPFNEH-UHFFFAOYSA-N 1 2 298.411 2.221 20 30 CEEDLO CC(C)OCC(N)=[NH+]OCc1cn2ccccc2c1C#N ZINC000747824226 575175526 /nfs/dbraw/zinc/17/55/26/575175526.db2.gz HPIUTDAXLFMOCE-UHFFFAOYSA-N 1 2 286.335 2.234 20 30 CEEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000749287114 575212318 /nfs/dbraw/zinc/21/23/18/575212318.db2.gz BCTCSTDYGQHPJP-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000749287114 575212322 /nfs/dbraw/zinc/21/23/22/575212322.db2.gz BCTCSTDYGQHPJP-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cnn(C)c3)n21 ZINC000748997154 575202307 /nfs/dbraw/zinc/20/23/07/575202307.db2.gz GNKBMQUOOAAPBS-SREVYHEPSA-N 1 2 266.304 2.272 20 30 CEEDLO C=CC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccncc1 ZINC000750880275 575277419 /nfs/dbraw/zinc/27/74/19/575277419.db2.gz RYZSZGMMUSAYEI-GOEBONIOSA-N 1 2 296.374 2.274 20 30 CEEDLO CC(C)CN(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000751374595 575287156 /nfs/dbraw/zinc/28/71/56/575287156.db2.gz NOUFDYSTUAXRGX-UHFFFAOYSA-N 1 2 297.362 2.279 20 30 CEEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccc(C#N)cn23)no1 ZINC000752875526 575315975 /nfs/dbraw/zinc/31/59/75/575315975.db2.gz HOJMLTXZDYPSED-ONEGZZNKSA-N 1 2 278.271 2.399 20 30 CEEDLO CC(C)[N@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824288733 608585744 /nfs/dbraw/zinc/58/57/44/608585744.db2.gz LSFBFTPYPAWYSW-UHFFFAOYSA-N 1 2 276.369 2.052 20 30 CEEDLO CC(C)[N@@H+](CCC#N)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824288733 608585746 /nfs/dbraw/zinc/58/57/46/608585746.db2.gz LSFBFTPYPAWYSW-UHFFFAOYSA-N 1 2 276.369 2.052 20 30 CEEDLO C=C(C)CC[NH+]1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000957525377 613262281 /nfs/dbraw/zinc/26/22/81/613262281.db2.gz SZTPQRXGWSPEIZ-UHFFFAOYSA-N 1 2 298.390 2.287 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(CCC)on2)C1 ZINC000957072716 613296139 /nfs/dbraw/zinc/29/61/39/613296139.db2.gz BLMSNRRIYYGKHW-UHFFFAOYSA-N 1 2 291.395 2.350 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3ccccn23)C1 ZINC000950682135 613297423 /nfs/dbraw/zinc/29/74/23/613297423.db2.gz ZJGBLKITHMJDCC-UHFFFAOYSA-N 1 2 298.390 2.057 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2occc2C)C1 ZINC000949658741 613297897 /nfs/dbraw/zinc/29/78/97/613297897.db2.gz YZTBCFAWZJMWCD-UHFFFAOYSA-N 1 2 262.353 2.310 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(Cl)cn2CC)CC1 ZINC000957675998 613320543 /nfs/dbraw/zinc/32/05/43/613320543.db2.gz NTGFZHKNQZVANV-UHFFFAOYSA-N 1 2 295.814 2.495 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)[nH]c2C)C1 ZINC000970497662 613371764 /nfs/dbraw/zinc/37/17/64/613371764.db2.gz UHSNJOXGKPEKLS-LLVKDONJSA-N 1 2 295.814 2.434 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000970305047 613372241 /nfs/dbraw/zinc/37/22/41/613372241.db2.gz WVYIBSDABBRZIK-WUHRBBMRSA-N 1 2 282.815 2.222 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(C)n2)C1 ZINC000969314274 613372362 /nfs/dbraw/zinc/37/23/62/613372362.db2.gz RNPWEURSXSXAIA-LBPRGKRZSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(F)cn2)C1 ZINC000969530526 613372420 /nfs/dbraw/zinc/37/24/20/613372420.db2.gz SRFSGKAXQKTTJH-JTQLQIEISA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000981798087 613373587 /nfs/dbraw/zinc/37/35/87/613373587.db2.gz GRBGZKIDTCLFEP-WDNDVIMCSA-N 1 2 282.815 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000981798087 613373588 /nfs/dbraw/zinc/37/35/88/613373588.db2.gz GRBGZKIDTCLFEP-WDNDVIMCSA-N 1 2 282.815 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972817778 613379588 /nfs/dbraw/zinc/37/95/88/613379588.db2.gz KNKDEQMIZLXKQF-LLVKDONJSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972817778 613379589 /nfs/dbraw/zinc/37/95/89/613379589.db2.gz KNKDEQMIZLXKQF-LLVKDONJSA-N 1 2 258.793 2.222 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2conc2C)CC1 ZINC000981751620 613431823 /nfs/dbraw/zinc/43/18/23/613431823.db2.gz VKVAXIQXLIYSIK-UHFFFAOYSA-N 1 2 291.395 2.230 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2conc2C)CC1 ZINC000981751620 613431825 /nfs/dbraw/zinc/43/18/25/613431825.db2.gz VKVAXIQXLIYSIK-UHFFFAOYSA-N 1 2 291.395 2.230 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000952344519 613563255 /nfs/dbraw/zinc/56/32/55/613563255.db2.gz WJWPQUGOJYNZQF-QGZVFWFLSA-N 1 2 296.414 2.274 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2coc3ccccc23)CC1 ZINC000952407587 613563927 /nfs/dbraw/zinc/56/39/27/613563927.db2.gz XMCGPLFXJKJKJN-UHFFFAOYSA-N 1 2 296.370 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC000951180625 613706853 /nfs/dbraw/zinc/70/68/53/613706853.db2.gz QJAVMTXTDXSENS-UHFFFAOYSA-N 1 2 288.366 2.188 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000949494113 613707198 /nfs/dbraw/zinc/70/71/98/613707198.db2.gz IFWWVJVYXCYFKB-UHFFFAOYSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000949732863 613709536 /nfs/dbraw/zinc/70/95/36/613709536.db2.gz ACDBYKCTOJOPLW-KGLIPLIRSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC000957744330 613710515 /nfs/dbraw/zinc/71/05/15/613710515.db2.gz QZXYDWHEXUYMLI-INIZCTEOSA-N 1 2 270.376 2.286 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000957795324 613710702 /nfs/dbraw/zinc/71/07/02/613710702.db2.gz MUWKYHXTLYPHPO-YMAMQOFZSA-N 1 2 262.397 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000956973115 613711767 /nfs/dbraw/zinc/71/17/67/613711767.db2.gz BBVBEOVQKKQRFY-HOCLYGCPSA-N 1 2 264.413 2.389 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000972490313 613722957 /nfs/dbraw/zinc/72/29/57/613722957.db2.gz UIYMHWWLJGAPJT-KRWDZBQOSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000972490313 613722958 /nfs/dbraw/zinc/72/29/58/613722958.db2.gz UIYMHWWLJGAPJT-KRWDZBQOSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)C(C)(C)C1 ZINC000977376106 613810775 /nfs/dbraw/zinc/81/07/75/613810775.db2.gz HCRRLZAMLYBLMK-CQSZACIVSA-N 1 2 298.390 2.189 20 30 CEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc3nc[nH]c32)C(C)(C)C1 ZINC000977376106 613810776 /nfs/dbraw/zinc/81/07/76/613810776.db2.gz HCRRLZAMLYBLMK-CQSZACIVSA-N 1 2 298.390 2.189 20 30 CEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCCn1cc[nH+]c1 ZINC000782369102 625588567 /nfs/dbraw/zinc/58/85/67/625588567.db2.gz KYHZFIVYGRXGLI-CYBMUJFWSA-N 1 2 299.330 2.156 20 30 CEEDLO C=CC[S@@](=O)(=NC(=O)C(=C)C[NH+](C)C)c1ccccc1 ZINC000891379080 623548539 /nfs/dbraw/zinc/54/85/39/623548539.db2.gz ADBDMOVNJONMCS-FQEVSTJZSA-N 1 2 292.404 2.344 20 30 CEEDLO CC[C@@H]([NH2+]C1CC(OC)C1)c1cccc(C#N)c1O ZINC000926155509 623629696 /nfs/dbraw/zinc/62/96/96/623629696.db2.gz KIYBKYOMCYLKOB-ORHYLEIMSA-N 1 2 260.337 2.482 20 30 CEEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933665836 623957810 /nfs/dbraw/zinc/95/78/10/623957810.db2.gz KNJVVAZCQFZWFR-QZTJIDSGSA-N 1 2 285.387 2.166 20 30 CEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933665836 623957815 /nfs/dbraw/zinc/95/78/15/623957815.db2.gz KNJVVAZCQFZWFR-QZTJIDSGSA-N 1 2 285.387 2.166 20 30 CEEDLO NC(Cc1cccnc1)=[NH+]OCCc1ccccc1 ZINC000092915362 624108518 /nfs/dbraw/zinc/10/85/18/624108518.db2.gz CYZYWCIVVCAOSS-UHFFFAOYSA-N 1 2 255.321 2.156 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000891975360 624219882 /nfs/dbraw/zinc/21/98/82/624219882.db2.gz ZWVMMSOYNVQXAS-AWEZNQCLSA-N 1 2 286.379 2.081 20 30 CEEDLO N#Cc1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000892101695 624317581 /nfs/dbraw/zinc/31/75/81/624317581.db2.gz BJMCBQVLVNRHOZ-SNVBAGLBSA-N 1 2 276.283 2.119 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000892101695 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RKUGTUJEWKOQJA-AWEZNQCLSA-N 1 2 289.379 2.077 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001024828534 625845944 /nfs/dbraw/zinc/84/59/44/625845944.db2.gz HJTUAVZJNDKPLV-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001024828534 625845945 /nfs/dbraw/zinc/84/59/45/625845945.db2.gz HJTUAVZJNDKPLV-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO CC(C)c1nnc(CO[NH+]=C(N)c2ccccc2)o1 ZINC000178287526 627731779 /nfs/dbraw/zinc/73/17/79/627731779.db2.gz IXYHAHHJHVCDCU-UHFFFAOYSA-N 1 2 260.297 2.030 20 30 CEEDLO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(O)cc2)n1C ZINC000821023181 634606632 /nfs/dbraw/zinc/60/66/32/634606632.db2.gz YWBSLTDNWQAFMJ-RMKNXTFCSA-N 1 2 271.320 2.088 20 30 CEEDLO COc1ccc2c(c1)C(=O)/C(=C\c1ccc(N)[nH+]c1)CO2 ZINC000821039175 634610901 /nfs/dbraw/zinc/61/09/01/634610901.db2.gz PSFGXLMGWLHPKP-WDZFZDKYSA-N 1 2 282.299 2.331 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000893265755 628208062 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CC[C@@H](CO)Nc1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000894160731 629177015 /nfs/dbraw/zinc/17/70/15/629177015.db2.gz UXPYKUSNJBTTDF-NSHDSACASA-N 1 2 277.372 2.011 20 30 CEEDLO CC[C@@H](CO)Nc1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000894160731 629177017 /nfs/dbraw/zinc/17/70/17/629177017.db2.gz UXPYKUSNJBTTDF-NSHDSACASA-N 1 2 277.372 2.011 20 30 CEEDLO Cc1cc(C)c(C(=O)N2CCC[C@H](C#N)C2)c(C)[nH+]1 ZINC000928233566 629340499 /nfs/dbraw/zinc/34/04/99/629340499.db2.gz YHWXMYFOWUOOBL-CYBMUJFWSA-N 1 2 257.337 2.383 20 30 CEEDLO c1cn(-c2ccc(CN=Nc3cncnc3)cc2)c[nH+]1 ZINC000794976433 629384545 /nfs/dbraw/zinc/38/45/45/629384545.db2.gz KRTBGDIMYGWSKG-UHFFFAOYSA-N 1 2 264.292 2.108 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795661331 629644794 /nfs/dbraw/zinc/64/47/94/629644794.db2.gz JYOQNENVRANRSZ-CYBMUJFWSA-N 1 2 258.321 2.084 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795661331 629644797 /nfs/dbraw/zinc/64/47/97/629644797.db2.gz JYOQNENVRANRSZ-CYBMUJFWSA-N 1 2 258.321 2.084 20 30 CEEDLO C#C[C@@H](CC)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000821567154 634753610 /nfs/dbraw/zinc/75/36/10/634753610.db2.gz GNHQCUSEBDPQOJ-ZDUSSCGKSA-N 1 2 289.379 2.260 20 30 CEEDLO N#C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000821624624 634765712 /nfs/dbraw/zinc/76/57/12/634765712.db2.gz QRVKBXBOWBGMCU-OAHLLOKOSA-N 1 2 281.315 2.390 20 30 CEEDLO C=CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060365169 629866442 /nfs/dbraw/zinc/86/64/42/629866442.db2.gz LXFCLSDMBUSNJV-UHFFFAOYSA-N 1 2 255.321 2.455 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2occc2Br)CC1 ZINC000895382258 630153039 /nfs/dbraw/zinc/15/30/39/630153039.db2.gz AZRQAWCEBLYPOM-UHFFFAOYSA-N 1 2 284.153 2.002 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)C(=O)OC ZINC000895754314 630331246 /nfs/dbraw/zinc/33/12/46/630331246.db2.gz OCERGBRHIQGOLY-YNEHKIRRSA-N 1 2 267.369 2.041 20 30 CEEDLO C#CC[N@H+](Cc1[nH]nc2ccccc21)C1CSC1 ZINC000895813741 630358680 /nfs/dbraw/zinc/35/86/80/630358680.db2.gz FXTXTTMFLNGTSX-UHFFFAOYSA-N 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278.377 2.251 20 30 CEEDLO N#C[C@H]1CCC[N@H+](Cc2ccccc2-n2cncn2)C1 ZINC000896505534 630585072 /nfs/dbraw/zinc/58/50/72/630585072.db2.gz ZUZKLVBNAACLBM-CYBMUJFWSA-N 1 2 267.336 2.003 20 30 CEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000896505534 630585074 /nfs/dbraw/zinc/58/50/74/630585074.db2.gz ZUZKLVBNAACLBM-CYBMUJFWSA-N 1 2 267.336 2.003 20 30 CEEDLO C#CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(C)C ZINC000928622880 630617845 /nfs/dbraw/zinc/61/78/45/630617845.db2.gz DBLVJGIYAURMDD-LLVKDONJSA-N 1 2 287.285 2.247 20 30 CEEDLO C#CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C(C)C ZINC000928625406 630656310 /nfs/dbraw/zinc/65/63/10/630656310.db2.gz XGOLWDBRUQZWQH-UHFFFAOYSA-N 1 2 295.386 2.344 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001007012016 630773545 /nfs/dbraw/zinc/77/35/45/630773545.db2.gz HKCZJMXCSXZDFL-NSHDSACASA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001007012016 630773549 /nfs/dbraw/zinc/77/35/49/630773549.db2.gz HKCZJMXCSXZDFL-NSHDSACASA-N 1 2 292.757 2.365 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000797952736 630786530 /nfs/dbraw/zinc/78/65/30/630786530.db2.gz YDGSFIKLBRSKFA-UHFFFAOYSA-N 1 2 284.319 2.481 20 30 CEEDLO CC#CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801178362 631230555 /nfs/dbraw/zinc/23/05/55/631230555.db2.gz MLJDGQWFSKKYCT-ZFWWWQNUSA-N 1 2 294.757 2.364 20 30 CEEDLO CC#CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801178362 631230556 /nfs/dbraw/zinc/23/05/56/631230556.db2.gz MLJDGQWFSKKYCT-ZFWWWQNUSA-N 1 2 294.757 2.364 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839957030 631398541 /nfs/dbraw/zinc/39/85/41/631398541.db2.gz BBSZJAQVTOTJME-CVEARBPZSA-N 1 2 283.375 2.206 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839957030 631398543 /nfs/dbraw/zinc/39/85/43/631398543.db2.gz BBSZJAQVTOTJME-CVEARBPZSA-N 1 2 283.375 2.206 20 30 CEEDLO C=CCC1(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CCC1 ZINC000802240873 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C[C@](C#N)(NC(=O)CNc1cccc[nH+]1)C1CCCCC1 ZINC000900723512 633821275 /nfs/dbraw/zinc/82/12/75/633821275.db2.gz RTRXCPCBIOORGR-MRXNPFEDSA-N 1 2 286.379 2.472 20 30 CEEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)c2c(n1)CCCC2 ZINC000901261656 634025742 /nfs/dbraw/zinc/02/57/42/634025742.db2.gz LUXXBKFEIGPQBP-UHFFFAOYSA-N 1 2 297.406 2.479 20 30 CEEDLO Cc1[nH]c(/C=C/C(=O)c2cc3n(n2)CCC3)[nH+]c1C ZINC000901561328 634180396 /nfs/dbraw/zinc/18/03/96/634180396.db2.gz RYERSOINZISFAL-AATRIKPKSA-N 1 2 256.309 2.065 20 30 CEEDLO C=CC[C@H]([NH2+]CCCOc1cccc(F)c1)C(=O)OC ZINC000901707380 634269323 /nfs/dbraw/zinc/26/93/23/634269323.db2.gz VZKBFLDEUNRVRN-AWEZNQCLSA-N 1 2 281.327 2.302 20 30 CEEDLO COc1ccncc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902999898 634931893 /nfs/dbraw/zinc/93/18/93/634931893.db2.gz RJZIOENIXYVSGJ-LLVKDONJSA-N 1 2 268.320 2.208 20 30 CEEDLO COC(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000824601761 635461026 /nfs/dbraw/zinc/46/10/26/635461026.db2.gz NIHWRVYKPXLQGE-UHFFFAOYSA-N 1 2 299.374 2.126 20 30 CEEDLO CCCCCCN(O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000904206661 635497083 /nfs/dbraw/zinc/49/70/83/635497083.db2.gz DLIJWKXSVQGPAL-GHMZBOCLSA-N 1 2 251.330 2.311 20 30 CEEDLO C=CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)COC ZINC000824849469 635511413 /nfs/dbraw/zinc/51/14/13/635511413.db2.gz KDGIMLPEHRJLBP-LLVKDONJSA-N 1 2 273.336 2.226 20 30 CEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000824867725 635516133 /nfs/dbraw/zinc/51/61/33/635516133.db2.gz VMIRMVFHLVQGCM-UHFFFAOYSA-N 1 2 290.338 2.413 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904262363 635534922 /nfs/dbraw/zinc/53/49/22/635534922.db2.gz FGAFHJSWBJHEAI-MNOVXSKESA-N 1 2 272.308 2.081 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1ccccc1O)C(=O)OCC ZINC000825118385 635572472 /nfs/dbraw/zinc/57/24/72/635572472.db2.gz SEUMGRRCOLHHJE-ZDUSSCGKSA-N 1 2 263.337 2.380 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000825987011 635741989 /nfs/dbraw/zinc/74/19/89/635741989.db2.gz QHCLZKDLVYYAMY-HUUCEWRRSA-N 1 2 279.343 2.168 20 30 CEEDLO C#C[C@@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826535402 635777828 /nfs/dbraw/zinc/77/78/28/635777828.db2.gz VXKNEUDMIWHBKY-CQSZACIVSA-N 1 2 266.348 2.113 20 30 CEEDLO C=CC[C@H]([NH2+]CC1(C)Cc2ccccc2C1)C(=O)OC ZINC000905762536 636449421 /nfs/dbraw/zinc/44/94/21/636449421.db2.gz NJMVTWRTSNXCOL-HNNXBMFYSA-N 1 2 273.376 2.499 20 30 CEEDLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc(C)c1C#N ZINC000906765107 636843122 /nfs/dbraw/zinc/84/31/22/636843122.db2.gz DBLAWRHYYBJVNH-GFCCVEGCSA-N 1 2 296.374 2.438 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000125985547 650290656 /nfs/dbraw/zinc/29/06/56/650290656.db2.gz GMDFZUMEGPUKAJ-UHFFFAOYSA-N 1 2 286.335 2.480 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000125985547 650290664 /nfs/dbraw/zinc/29/06/64/650290664.db2.gz GMDFZUMEGPUKAJ-UHFFFAOYSA-N 1 2 286.335 2.480 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000829774651 636926893 /nfs/dbraw/zinc/92/68/93/636926893.db2.gz RPMBKBVGANVTDY-NSHDSACASA-N 1 2 251.761 2.309 20 30 CEEDLO C#CC[C@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000829774651 636926895 /nfs/dbraw/zinc/92/68/95/636926895.db2.gz RPMBKBVGANVTDY-NSHDSACASA-N 1 2 251.761 2.309 20 30 CEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2noc(C)c2C(=O)OCC)C1 ZINC000829815900 636937737 /nfs/dbraw/zinc/93/77/37/636937737.db2.gz VPNHJQLUYDNFSR-CYBMUJFWSA-N 1 2 290.363 2.395 20 30 CEEDLO C#CC[C@@H]1CCC[N@H+](Cc2noc(C)c2C(=O)OCC)C1 ZINC000829815900 636937739 /nfs/dbraw/zinc/93/77/39/636937739.db2.gz VPNHJQLUYDNFSR-CYBMUJFWSA-N 1 2 290.363 2.395 20 30 CEEDLO C#CC1CC[NH+](CC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000830330212 637038072 /nfs/dbraw/zinc/03/80/72/637038072.db2.gz UQNZBRLQAOZTOD-UHFFFAOYSA-N 1 2 284.359 2.173 20 30 CEEDLO CC(C)C#CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000831685920 637409992 /nfs/dbraw/zinc/40/99/92/637409992.db2.gz HLSKXRYXPCUFMM-UHFFFAOYSA-N 1 2 267.332 2.148 20 30 CEEDLO Cc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1C#N ZINC000831798831 637438916 /nfs/dbraw/zinc/43/89/16/637438916.db2.gz UBKDPXJVPGVZPF-UHFFFAOYSA-N 1 2 282.347 2.160 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000910468153 638065654 /nfs/dbraw/zinc/06/56/54/638065654.db2.gz MDESDKJWFFMKHC-AWEZNQCLSA-N 1 2 269.348 2.256 20 30 CEEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CSC1 ZINC000912371886 638671589 /nfs/dbraw/zinc/67/15/89/638671589.db2.gz QPIRWJJKVFNPCD-UHFFFAOYSA-N 1 2 297.383 2.063 20 30 CEEDLO Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912583959 638734555 /nfs/dbraw/zinc/73/45/55/638734555.db2.gz HJOKNRQVZWTEDG-HNNXBMFYSA-N 1 2 294.358 2.175 20 30 CEEDLO N#C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc32)CC2CCC1CC2 ZINC000912585105 638735705 /nfs/dbraw/zinc/73/57/05/638735705.db2.gz XELCVKIWVWBZDF-BRNNPLJLSA-N 1 2 284.363 2.164 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000837458022 639237708 /nfs/dbraw/zinc/23/77/08/639237708.db2.gz CEZQMIOVJZOBDU-UHFFFAOYSA-N 1 2 259.353 2.165 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000837458022 639237713 /nfs/dbraw/zinc/23/77/13/639237713.db2.gz CEZQMIOVJZOBDU-UHFFFAOYSA-N 1 2 259.353 2.165 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2cc(C)no2)cc1 ZINC000060454989 639617488 /nfs/dbraw/zinc/61/74/88/639617488.db2.gz JNKZNZPMDQTCCG-UHFFFAOYSA-N 1 2 275.308 2.023 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCCOCC2CCC2)cc1 ZINC000842021103 639920931 /nfs/dbraw/zinc/92/09/31/639920931.db2.gz IYGKMVMWEFCBIS-UHFFFAOYSA-N 1 2 278.352 2.149 20 30 CEEDLO NC(=[NH+]OCCC[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000842648648 640133947 /nfs/dbraw/zinc/13/39/47/640133947.db2.gz KIQQBVRXXZWACM-LLVKDONJSA-N 1 2 266.316 2.279 20 30 CEEDLO C#CCC1(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000914197368 640270761 /nfs/dbraw/zinc/27/07/61/640270761.db2.gz HRNHSSLABNPOJX-AWEZNQCLSA-N 1 2 288.395 2.297 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccnc2)[C@H]1C ZINC000992969626 640387499 /nfs/dbraw/zinc/38/74/99/640387499.db2.gz VFVORUSCXQUZLU-TZMCWYRMSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2)[C@H]1C ZINC000992969626 640387503 /nfs/dbraw/zinc/38/75/03/640387503.db2.gz VFVORUSCXQUZLU-TZMCWYRMSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cscn2)[C@H]1C ZINC000993082840 640434994 /nfs/dbraw/zinc/43/49/94/640434994.db2.gz CDZUBBCIAHOSLF-GHMZBOCLSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cscn2)[C@H]1C ZINC000993082840 640434996 /nfs/dbraw/zinc/43/49/96/640434996.db2.gz CDZUBBCIAHOSLF-GHMZBOCLSA-N 1 2 299.827 2.478 20 30 CEEDLO C#CC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000843707851 640504268 /nfs/dbraw/zinc/50/42/68/640504268.db2.gz ISSMVOPYHOYDQK-UHFFFAOYSA-N 1 2 281.359 2.057 20 30 CEEDLO C#CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000843708992 640505410 /nfs/dbraw/zinc/50/54/10/640505410.db2.gz FTELZEVEDLQJIU-UHFFFAOYSA-N 1 2 279.343 2.358 20 30 CEEDLO C#CCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000844132054 640613064 /nfs/dbraw/zinc/61/30/64/640613064.db2.gz CWLLYCJAEFDVDT-ZDUSSCGKSA-N 1 2 295.342 2.096 20 30 CEEDLO C#CCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000844132051 640613724 /nfs/dbraw/zinc/61/37/24/640613724.db2.gz CWLLYCJAEFDVDT-CYBMUJFWSA-N 1 2 295.342 2.096 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccsn2)[C@H]1C ZINC000993477734 640648275 /nfs/dbraw/zinc/64/82/75/640648275.db2.gz JSZATLNDUYTETF-GHMZBOCLSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccsn2)[C@H]1C ZINC000993477734 640648281 /nfs/dbraw/zinc/64/82/81/640648281.db2.gz JSZATLNDUYTETF-GHMZBOCLSA-N 1 2 299.827 2.478 20 30 CEEDLO COc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C#N ZINC000844437090 640724560 /nfs/dbraw/zinc/72/45/60/640724560.db2.gz LJUSKUMNUCXRGY-GFCCVEGCSA-N 1 2 298.346 2.031 20 30 CEEDLO C#C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000844619024 640786034 /nfs/dbraw/zinc/78/60/34/640786034.db2.gz AEHXLDBQOLRPKC-UKRRQHHQSA-N 1 2 267.332 2.325 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2Cl)[C@@H]1C ZINC000994418553 640831285 /nfs/dbraw/zinc/83/12/85/640831285.db2.gz GLVBSQKIZJJQPD-UWVGGRQHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2Cl)[C@@H]1C ZINC000994418553 640831288 /nfs/dbraw/zinc/83/12/88/640831288.db2.gz GLVBSQKIZJJQPD-UWVGGRQHSA-N 1 2 297.811 2.012 20 30 CEEDLO Cc1nc(C#N)c(N=NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000917555978 640898836 /nfs/dbraw/zinc/89/88/36/640898836.db2.gz XTEKOKAJKWZIRC-UHFFFAOYSA-N 1 2 292.302 2.486 20 30 CEEDLO Cc1nc(N(C)C[C@H](O)c2cccc(C#N)c2)c(C)c(C)[nH+]1 ZINC000845608582 641015250 /nfs/dbraw/zinc/01/52/50/641015250.db2.gz MKGGSXGKBWKRIC-INIZCTEOSA-N 1 2 296.374 2.443 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000847018891 641525132 /nfs/dbraw/zinc/52/51/32/641525132.db2.gz NHCQBHKHQZEIHN-AWEZNQCLSA-N 1 2 266.348 2.113 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000847018891 641525138 /nfs/dbraw/zinc/52/51/38/641525138.db2.gz NHCQBHKHQZEIHN-AWEZNQCLSA-N 1 2 266.348 2.113 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000847022477 641529156 /nfs/dbraw/zinc/52/91/56/641529156.db2.gz HUXIWIKAGBTCLM-HNNXBMFYSA-N 1 2 295.390 2.124 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000847022477 641529159 /nfs/dbraw/zinc/52/91/59/641529159.db2.gz HUXIWIKAGBTCLM-HNNXBMFYSA-N 1 2 295.390 2.124 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc([C@H](C)OCC)no2)C1 ZINC000847025596 641532839 /nfs/dbraw/zinc/53/28/39/641532839.db2.gz NVUVXOCGHOJOGE-NWDGAFQWSA-N 1 2 263.341 2.012 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2nc([C@H](C)OCC)no2)C1 ZINC000847025596 641532840 /nfs/dbraw/zinc/53/28/40/641532840.db2.gz NVUVXOCGHOJOGE-NWDGAFQWSA-N 1 2 263.341 2.012 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(C)c(O)c(O)c1 ZINC000848416786 641984679 /nfs/dbraw/zinc/98/46/79/641984679.db2.gz YHJNTEWGMLAPBK-UHFFFAOYSA-N 1 2 288.351 2.007 20 30 CEEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)cnc1Cl ZINC000848417813 641985681 /nfs/dbraw/zinc/98/56/81/641985681.db2.gz FULAGAUZEAPPJN-UHFFFAOYSA-N 1 2 277.759 2.254 20 30 CEEDLO CCO[C@@H]1CC(=NNCCCn2cc[nH+]c2)C12CCC2 ZINC000848418355 641987396 /nfs/dbraw/zinc/98/73/96/641987396.db2.gz MIZMDUJRAFQYFW-CQSZACIVSA-N 1 2 276.384 2.198 20 30 CEEDLO C#C[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000848749754 642126894 /nfs/dbraw/zinc/12/68/94/642126894.db2.gz LCLWQLUSLIVMAI-NSHDSACASA-N 1 2 252.321 2.062 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848902459 642180821 /nfs/dbraw/zinc/18/08/21/642180821.db2.gz DOWYBKCLBLUVIK-XUIVZRPNSA-N 1 2 262.309 2.248 20 30 CEEDLO CO[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1C ZINC000877464803 650731776 /nfs/dbraw/zinc/73/17/76/650731776.db2.gz RNCBCWDRTGVZIM-GWCFXTLKSA-N 1 2 279.771 2.463 20 30 CEEDLO CO[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1C ZINC000877464803 650731778 /nfs/dbraw/zinc/73/17/78/650731778.db2.gz RNCBCWDRTGVZIM-GWCFXTLKSA-N 1 2 279.771 2.463 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(C)sn2)CC1 ZINC001002684511 642814636 /nfs/dbraw/zinc/81/46/36/642814636.db2.gz DVLRIAXKFPUPHS-UHFFFAOYSA-N 1 2 299.827 2.398 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccc(Cl)nn2)CCCC1 ZINC000877609476 650812370 /nfs/dbraw/zinc/81/23/70/650812370.db2.gz LCHVGKXVDVHBFW-UHFFFAOYSA-N 1 2 250.733 2.304 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccccn1 ZINC000851779619 643158582 /nfs/dbraw/zinc/15/85/82/643158582.db2.gz BHJNPNAMPHDDOU-CQSZACIVSA-N 1 2 261.369 2.377 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccccn1 ZINC000851779619 643158585 /nfs/dbraw/zinc/15/85/85/643158585.db2.gz BHJNPNAMPHDDOU-CQSZACIVSA-N 1 2 261.369 2.377 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852319205 643393081 /nfs/dbraw/zinc/39/30/81/643393081.db2.gz IBDGZRRHLSXSRK-INIZCTEOSA-N 1 2 295.390 2.452 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852319205 643393087 /nfs/dbraw/zinc/39/30/87/643393087.db2.gz IBDGZRRHLSXSRK-INIZCTEOSA-N 1 2 295.390 2.452 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cccc3c2OCC3)nn1 ZINC000922942317 643467325 /nfs/dbraw/zinc/46/73/25/643467325.db2.gz TZHIYOSYRCPQBT-UHFFFAOYSA-N 1 2 284.363 2.079 20 30 CEEDLO C=C(Cl)C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)OCC ZINC000877671546 650844021 /nfs/dbraw/zinc/84/40/21/650844021.db2.gz KMNDAYOKNBSSPE-DGCLKSJQSA-N 1 2 289.803 2.465 20 30 CEEDLO C=C[C@@H](C)ONC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923087111 643556416 /nfs/dbraw/zinc/55/64/16/643556416.db2.gz TZMFSWWMPIUUNQ-GFCCVEGCSA-N 1 2 290.367 2.174 20 30 CEEDLO C=CCCCCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923117179 643564923 /nfs/dbraw/zinc/56/49/23/643564923.db2.gz PEHMSIKSYNQGOH-OAHLLOKOSA-N 1 2 297.443 2.143 20 30 CEEDLO CCN(CC)c1ccnc(N=NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000853318517 643738112 /nfs/dbraw/zinc/73/81/12/643738112.db2.gz PTMIKZWFTLBTNP-UHFFFAOYSA-N 1 2 287.371 2.109 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)[C@H](C)CO ZINC000853364814 643755835 /nfs/dbraw/zinc/75/58/35/643755835.db2.gz MTHREDPSGAIVPB-OLZOCXBDSA-N 1 2 262.353 2.303 20 30 CEEDLO N#CC1(c2ccc(C=NNCCCn3cc[nH+]c3)cc2)CC1 ZINC000853372834 643758427 /nfs/dbraw/zinc/75/84/27/643758427.db2.gz ZVUOKQUDNKOWSV-UHFFFAOYSA-N 1 2 293.374 2.452 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cccnc3s2)C1 ZINC000923556401 643763468 /nfs/dbraw/zinc/76/34/68/643763468.db2.gz FRKAWWPODQRHGP-CYBMUJFWSA-N 1 2 299.399 2.124 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cccnc3s2)C1 ZINC000923556401 643763471 /nfs/dbraw/zinc/76/34/71/643763471.db2.gz FRKAWWPODQRHGP-CYBMUJFWSA-N 1 2 299.399 2.124 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCc1cn[nH]c1 ZINC000853638000 643841730 /nfs/dbraw/zinc/84/17/30/643841730.db2.gz XFMNPSXZBNOHNM-UHFFFAOYSA-N 1 2 270.336 2.252 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854445356 644059010 /nfs/dbraw/zinc/05/90/10/644059010.db2.gz NRSWYOJPZOQUNV-HZPDHXFCSA-N 1 2 293.370 2.186 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC000839168948 644177780 /nfs/dbraw/zinc/17/77/80/644177780.db2.gz OFPGOWIPWXYYCL-MXWKQRLJSA-N 1 2 277.286 2.262 20 30 CEEDLO Cn1c[nH+]cc1CN=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000755650884 644541391 /nfs/dbraw/zinc/54/13/91/644541391.db2.gz OHPNFRWDOROCDI-UHFFFAOYSA-N 1 2 279.687 2.428 20 30 CEEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c3c(C)cccn23)o1 ZINC000755660683 644542098 /nfs/dbraw/zinc/54/20/98/644542098.db2.gz IYDWIBYOSSZGIL-UHFFFAOYSA-N 1 2 280.291 2.257 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000877901622 650942302 /nfs/dbraw/zinc/94/23/02/650942302.db2.gz QAUCRQKCEBAICG-NXEZZACHSA-N 1 2 265.275 2.378 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000877901622 650942306 /nfs/dbraw/zinc/94/23/06/650942306.db2.gz QAUCRQKCEBAICG-NXEZZACHSA-N 1 2 265.275 2.378 20 30 CEEDLO Cn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)n1 ZINC000857048976 644801541 /nfs/dbraw/zinc/80/15/41/644801541.db2.gz DOCSLPFQMOIQBQ-JTQLQIEISA-N 1 2 252.749 2.199 20 30 CEEDLO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)n1 ZINC000857048976 644801544 /nfs/dbraw/zinc/80/15/44/644801544.db2.gz DOCSLPFQMOIQBQ-JTQLQIEISA-N 1 2 252.749 2.199 20 30 CEEDLO CCCCCCCCOCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888929 644998113 /nfs/dbraw/zinc/99/81/13/644998113.db2.gz GKZAOKOXJUKBMB-CQSZACIVSA-N 1 2 293.411 2.301 20 30 CEEDLO N#CC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878015970 650974585 /nfs/dbraw/zinc/97/45/85/650974585.db2.gz GINYDUFCXTUNRH-UHFFFAOYSA-N 1 2 284.319 2.178 20 30 CEEDLO CC(C)(C(=O)NCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000858101656 645061439 /nfs/dbraw/zinc/06/14/39/645061439.db2.gz VRYJMNOXDXHNJY-UHFFFAOYSA-N 1 2 296.374 2.239 20 30 CEEDLO CCCCCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000858111352 645064263 /nfs/dbraw/zinc/06/42/63/645064263.db2.gz CKWIOTFIGLJYNQ-LSDHHAIUSA-N 1 2 299.459 2.365 20 30 CEEDLO CCCCCCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000858113259 645066365 /nfs/dbraw/zinc/06/63/65/645066365.db2.gz FTDJOEDHGXZUOM-UHFFFAOYSA-N 1 2 266.389 2.232 20 30 CEEDLO CCCN(CCC)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762664328 645434834 /nfs/dbraw/zinc/43/48/34/645434834.db2.gz KDGYSCOOVOCRNT-UHFFFAOYSA-N 1 2 295.358 2.111 20 30 CEEDLO CSCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000763426597 645546073 /nfs/dbraw/zinc/54/60/73/645546073.db2.gz ZVYHSQVDNJSQMU-UHFFFAOYSA-N 1 2 289.198 2.449 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000766666015 645909120 /nfs/dbraw/zinc/90/91/20/645909120.db2.gz OBGITSRRABTTQV-MAUKXSAKSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000766666015 645909123 /nfs/dbraw/zinc/90/91/23/645909123.db2.gz OBGITSRRABTTQV-MAUKXSAKSA-N 1 2 284.403 2.379 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767045316 645949327 /nfs/dbraw/zinc/94/93/27/645949327.db2.gz PDPLXZPFTLWXDP-UHFFFAOYSA-N 1 2 290.432 2.442 20 30 CEEDLO N#CCc1cc[nH+]c(NCc2cnn(-c3ccccc3)n2)c1 ZINC000767292120 645974471 /nfs/dbraw/zinc/97/44/71/645974471.db2.gz RXNBLVUFIVCVTM-UHFFFAOYSA-N 1 2 290.330 2.340 20 30 CEEDLO C=C(C)CNC(=S)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000861655337 646239392 /nfs/dbraw/zinc/23/93/92/646239392.db2.gz JLZFOSNAISZNAJ-UHFFFAOYSA-N 1 2 290.436 2.222 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2cn(C)nc2Br)C1 ZINC000862402916 646441248 /nfs/dbraw/zinc/44/12/48/646441248.db2.gz SMVUWXSBZCKGBT-JTQLQIEISA-N 1 2 282.185 2.028 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000862402916 646441253 /nfs/dbraw/zinc/44/12/53/646441253.db2.gz SMVUWXSBZCKGBT-JTQLQIEISA-N 1 2 282.185 2.028 20 30 CEEDLO C#CC[C@H](COC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000862548772 646494453 /nfs/dbraw/zinc/49/44/53/646494453.db2.gz NPACAYPBOKJQHR-LLVKDONJSA-N 1 2 271.719 2.313 20 30 CEEDLO C#CC[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000862564337 646503200 /nfs/dbraw/zinc/50/32/00/646503200.db2.gz XOTPWLXYGFQPEN-OAHLLOKOSA-N 1 2 293.370 2.417 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000863126347 646648110 /nfs/dbraw/zinc/64/81/10/646648110.db2.gz IMWLDCTZZPPUGK-UHFFFAOYSA-N 1 2 256.300 2.284 20 30 CEEDLO CCCNC(=S)N[NH+]=C1CCCNc2ccccc21 ZINC000774341133 646837536 /nfs/dbraw/zinc/83/75/36/646837536.db2.gz JMJODUGMFCDVCA-UHFFFAOYSA-N 1 2 276.409 2.471 20 30 CEEDLO C[C@H](CC#N)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776088066 647021900 /nfs/dbraw/zinc/02/19/00/647021900.db2.gz DKPYQCWYKYIAKJ-LLVKDONJSA-N 1 2 255.277 2.331 20 30 CEEDLO C[C@@H](C#N)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776096484 647022230 /nfs/dbraw/zinc/02/22/30/647022230.db2.gz BDIQSDGQXXSTNW-NSHDSACASA-N 1 2 255.277 2.189 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000777959471 647192295 /nfs/dbraw/zinc/19/22/95/647192295.db2.gz KWOKTUAOUYXJTC-CYBMUJFWSA-N 1 2 266.385 2.263 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000777959471 647192298 /nfs/dbraw/zinc/19/22/98/647192298.db2.gz KWOKTUAOUYXJTC-CYBMUJFWSA-N 1 2 266.385 2.263 20 30 CEEDLO C/C=C\CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000865288635 647231983 /nfs/dbraw/zinc/23/19/83/647231983.db2.gz PVTICHDIAJEBEG-RUJWSPTPSA-N 1 2 296.374 2.222 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H](O)C(F)F ZINC000866037889 647581562 /nfs/dbraw/zinc/58/15/62/647581562.db2.gz RPAYXGYIBKQUCP-NSHDSACASA-N 1 2 284.306 2.302 20 30 CEEDLO N#CCC1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000782088363 647587923 /nfs/dbraw/zinc/58/79/23/647587923.db2.gz JDZZRNDTUPWWQE-UHFFFAOYSA-N 1 2 272.348 2.355 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866238523 647687049 /nfs/dbraw/zinc/68/70/49/647687049.db2.gz PJJABSBSZZZSQA-NEPJUHHUSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866250226 647695086 /nfs/dbraw/zinc/69/50/86/647695086.db2.gz WTEOYXIAFBVKQK-RYUDHWBXSA-N 1 2 282.347 2.336 20 30 CEEDLO C[C@@H]([NH2+]CCOCC1CC1)c1cccc(C#N)c1O ZINC000866262654 647703192 /nfs/dbraw/zinc/70/31/92/647703192.db2.gz DUOFMEYISKMQNS-LLVKDONJSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@H]([NH2+]CCC1CC(O)C1)c1cccc(C#N)c1O ZINC000866346757 647748568 /nfs/dbraw/zinc/74/85/68/647748568.db2.gz CMGLXSGXLLWUKF-ZBOXLXRLSA-N 1 2 260.337 2.075 20 30 CEEDLO C[C@H]([NH2+]CCC(C)(C)CO)c1cccc(C#N)c1O ZINC000866363896 647757052 /nfs/dbraw/zinc/75/70/52/647757052.db2.gz NDGGQLBEPCMUSV-NSHDSACASA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(C#N)c1O ZINC000866372894 647762165 /nfs/dbraw/zinc/76/21/65/647762165.db2.gz WIXDORAMQXSPMA-KYOSRNDESA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1O ZINC000866377769 647763926 /nfs/dbraw/zinc/76/39/26/647763926.db2.gz XSYOOQNOOYGVPQ-CMPLNLGQSA-N 1 2 295.333 2.254 20 30 CEEDLO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc(C#N)c1O ZINC000866388698 647769418 /nfs/dbraw/zinc/76/94/18/647769418.db2.gz MEQUTSVJTIRVLK-JOYOIKCWSA-N 1 2 282.290 2.339 20 30 CEEDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc(C#N)c1O ZINC000866390920 647770106 /nfs/dbraw/zinc/77/01/06/647770106.db2.gz WBXLIAWDVYMRBR-LEWSCRJBSA-N 1 2 272.348 2.218 20 30 CEEDLO FC(F)CNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783846255 647770717 /nfs/dbraw/zinc/77/07/17/647770717.db2.gz OWTHJELJZGCIAH-UHFFFAOYSA-N 1 2 256.281 2.122 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cn1cc2[nH]cccc-2c1=O ZINC000785507595 647933207 /nfs/dbraw/zinc/93/32/07/647933207.db2.gz OHAGLHBMSILBBF-UHFFFAOYSA-N 1 2 297.358 2.319 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cn1cc2[nH]cccc-2c1=O ZINC000785507595 647933210 /nfs/dbraw/zinc/93/32/10/647933210.db2.gz OHAGLHBMSILBBF-UHFFFAOYSA-N 1 2 297.358 2.319 20 30 CEEDLO C=CC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC000786985553 648063803 /nfs/dbraw/zinc/06/38/03/648063803.db2.gz WXDBBOCUQFXNJW-CABCVRRESA-N 1 2 296.374 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122276444 648237100 /nfs/dbraw/zinc/23/71/00/648237100.db2.gz JCUKGMGTPPAGST-SNVBAGLBSA-N 1 2 282.731 2.229 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122276444 648237104 /nfs/dbraw/zinc/23/71/04/648237104.db2.gz JCUKGMGTPPAGST-SNVBAGLBSA-N 1 2 282.731 2.229 20 30 CEEDLO Oc1ccc(Cl)c(F)c1C=NNc1cc[nH+]cc1 ZINC000790174849 648390145 /nfs/dbraw/zinc/39/01/45/648390145.db2.gz XFXPWMZXOLBKHT-UHFFFAOYSA-N 1 2 265.675 2.448 20 30 CEEDLO CC[C@H](C)N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000790184391 648391393 /nfs/dbraw/zinc/39/13/93/648391393.db2.gz VESSFUIBMBWERN-VIFPVBQESA-N 1 2 296.806 2.034 20 30 CEEDLO CC(C)C[N@H+](CCC#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000790291105 648402080 /nfs/dbraw/zinc/40/20/80/648402080.db2.gz SREJBDPEIVSTQJ-CQSZACIVSA-N 1 2 265.401 2.257 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000790291105 648402083 /nfs/dbraw/zinc/40/20/83/648402083.db2.gz SREJBDPEIVSTQJ-CQSZACIVSA-N 1 2 265.401 2.257 20 30 CEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791591238 648546816 /nfs/dbraw/zinc/54/68/16/648546816.db2.gz ZTNWSFUAUYCCBM-NSHDSACASA-N 1 2 297.314 2.046 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1F ZINC000792220923 648627770 /nfs/dbraw/zinc/62/77/70/648627770.db2.gz XMKYZBGSYAWCQL-HNNXBMFYSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1F ZINC000792220923 648627772 /nfs/dbraw/zinc/62/77/72/648627772.db2.gz XMKYZBGSYAWCQL-HNNXBMFYSA-N 1 2 290.338 2.425 20 30 CEEDLO C=CC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccncc1 ZINC000793517377 648768655 /nfs/dbraw/zinc/76/86/55/648768655.db2.gz GVBUVGPZGOOIDT-CQSZACIVSA-N 1 2 270.336 2.171 20 30 CEEDLO C=CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccncc1 ZINC000793517377 648768660 /nfs/dbraw/zinc/76/86/60/648768660.db2.gz GVBUVGPZGOOIDT-CQSZACIVSA-N 1 2 270.336 2.171 20 30 CEEDLO C[C@H]1CCCCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635896 648895835 /nfs/dbraw/zinc/89/58/35/648895835.db2.gz XRIRQJTYINXJEK-NSHDSACASA-N 1 2 279.413 2.239 20 30 CEEDLO C[C@H]1CCCCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635896 648895838 /nfs/dbraw/zinc/89/58/38/648895838.db2.gz XRIRQJTYINXJEK-NSHDSACASA-N 1 2 279.413 2.239 20 30 CEEDLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000871722833 649157277 /nfs/dbraw/zinc/15/72/77/649157277.db2.gz SCZOBNNZQISCKT-GXSJLCMTSA-N 1 2 268.744 2.402 20 30 CEEDLO CC(C)(C)c1cn(C[C@@H](O)COc2ccc(C#N)cc2)c[nH+]1 ZINC000871989797 649237888 /nfs/dbraw/zinc/23/78/88/649237888.db2.gz SPFZMSGBTIMNMX-CQSZACIVSA-N 1 2 299.374 2.492 20 30 CEEDLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000879326456 651286828 /nfs/dbraw/zinc/28/68/28/651286828.db2.gz RHUANTKMTVGWPZ-MWLCHTKSSA-N 1 2 251.355 2.014 20 30 CEEDLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000879326456 651286830 /nfs/dbraw/zinc/28/68/30/651286830.db2.gz RHUANTKMTVGWPZ-MWLCHTKSSA-N 1 2 251.355 2.014 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880314864 651423335 /nfs/dbraw/zinc/42/33/35/651423335.db2.gz TUNDRQRGOAJFRQ-RYUDHWBXSA-N 1 2 260.366 2.376 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880314864 651423336 /nfs/dbraw/zinc/42/33/36/651423336.db2.gz TUNDRQRGOAJFRQ-RYUDHWBXSA-N 1 2 260.366 2.376 20 30 CEEDLO C#CCC1(O)CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000880479638 651447728 /nfs/dbraw/zinc/44/77/28/651447728.db2.gz YZVYZDRYPNPYNZ-GFCCVEGCSA-N 1 2 277.368 2.104 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000880481176 651448234 /nfs/dbraw/zinc/44/82/34/651448234.db2.gz NKCCNOIAYKIWNT-UHFFFAOYSA-N 1 2 276.405 2.371 20 30 CEEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)cc1 ZINC000881615952 651828251 /nfs/dbraw/zinc/82/82/51/651828251.db2.gz KBFGNQGFJZAXPK-AWEZNQCLSA-N 1 2 285.391 2.053 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000883048707 652346554 /nfs/dbraw/zinc/34/65/54/652346554.db2.gz UJPQQSSOKXMCKB-ZDUSSCGKSA-N 1 2 289.379 2.346 20 30 CEEDLO C#C[C@@H](CC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883700943 652536712 /nfs/dbraw/zinc/53/67/12/652536712.db2.gz AGOLVSOUMOPIGK-JKSUJKDBSA-N 1 2 296.374 2.335 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1C ZINC000884048312 652659203 /nfs/dbraw/zinc/65/92/03/652659203.db2.gz GVJVUTNGHOKDDB-NSHDSACASA-N 1 2 296.754 2.034 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000884612391 652942440 /nfs/dbraw/zinc/94/24/40/652942440.db2.gz KLRZUWDYKKNGKM-GFCCVEGCSA-N 1 2 274.755 2.116 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000884612391 652942446 /nfs/dbraw/zinc/94/24/46/652942446.db2.gz KLRZUWDYKKNGKM-GFCCVEGCSA-N 1 2 274.755 2.116 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000884613263 652944046 /nfs/dbraw/zinc/94/40/46/652944046.db2.gz IIQCPCDBJUAKLI-SECBINFHSA-N 1 2 280.784 2.178 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000884613263 652944047 /nfs/dbraw/zinc/94/40/47/652944047.db2.gz IIQCPCDBJUAKLI-SECBINFHSA-N 1 2 280.784 2.178 20 30 CEEDLO Cc1cc(NCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1C#N ZINC001161689333 805634168 /nfs/dbraw/zinc/63/41/68/805634168.db2.gz NLRVKAQLCHJTMU-UHFFFAOYSA-N 1 2 285.307 2.474 20 30 CEEDLO N#Cc1ccccc1OC1C[NH+](C[C@H]2CCC=CO2)C1 ZINC001208886800 802429480 /nfs/dbraw/zinc/42/94/80/802429480.db2.gz HLZCJFFIFBVWFD-CQSZACIVSA-N 1 2 270.332 2.314 20 30 CEEDLO N#Cc1cc(F)cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123649 802512254 /nfs/dbraw/zinc/51/22/54/802512254.db2.gz FXFQTAFGZUBGPU-UHFFFAOYSA-N 1 2 271.299 2.130 20 30 CEEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038177581 802532266 /nfs/dbraw/zinc/53/22/66/802532266.db2.gz PTMBVEZYDWHANW-IRXDYDNUSA-N 1 2 296.414 2.275 20 30 CEEDLO CC1(C)C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038177581 802532272 /nfs/dbraw/zinc/53/22/72/802532272.db2.gz PTMBVEZYDWHANW-IRXDYDNUSA-N 1 2 296.414 2.275 20 30 CEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000343578276 802660958 /nfs/dbraw/zinc/66/09/58/802660958.db2.gz FBJDXZAYQUIYCV-JTQLQIEISA-N 1 2 296.367 2.184 20 30 CEEDLO C=CCCC(=O)N(CCN(C)c1cc[nH+]c(C)n1)C(C)C ZINC001125416523 802727845 /nfs/dbraw/zinc/72/78/45/802727845.db2.gz SCKARLLGMGZKDL-UHFFFAOYSA-N 1 2 290.411 2.424 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109202531 811839718 /nfs/dbraw/zinc/83/97/18/811839718.db2.gz GKDCKUHGOSHUPN-JSGCOSHPSA-N 1 2 290.411 2.328 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)cs1 ZINC000892216009 803121497 /nfs/dbraw/zinc/12/14/97/803121497.db2.gz NJRLTTRNHAYQJW-UHFFFAOYSA-N 1 2 278.377 2.001 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCOC3(CCOCC3)C2)cs1 ZINC000892216009 803121499 /nfs/dbraw/zinc/12/14/99/803121499.db2.gz NJRLTTRNHAYQJW-UHFFFAOYSA-N 1 2 278.377 2.001 20 30 CEEDLO N#Cc1c[nH]c2ncc(NCc3cc[nH+]c(N)c3)cc12 ZINC001167616353 803203194 /nfs/dbraw/zinc/20/31/94/803203194.db2.gz HLJOPHBUPMVAGS-UHFFFAOYSA-N 1 2 264.292 2.024 20 30 CEEDLO N#Cc1ccnnc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086813 803239784 /nfs/dbraw/zinc/23/97/84/803239784.db2.gz BJEQGSDESYOYRS-UHFFFAOYSA-N 1 2 262.276 2.482 20 30 CEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001111482377 803355774 /nfs/dbraw/zinc/35/57/74/803355774.db2.gz HMYAUXXMZOWVTO-MCIONIFRSA-N 1 2 298.814 2.053 20 30 CEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001111482377 803355782 /nfs/dbraw/zinc/35/57/82/803355782.db2.gz HMYAUXXMZOWVTO-MCIONIFRSA-N 1 2 298.814 2.053 20 30 CEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001267743607 803697935 /nfs/dbraw/zinc/69/79/35/803697935.db2.gz XWBUSSYGEUJFJM-CYBMUJFWSA-N 1 2 291.395 2.276 20 30 CEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001267743607 803697938 /nfs/dbraw/zinc/69/79/38/803697938.db2.gz XWBUSSYGEUJFJM-CYBMUJFWSA-N 1 2 291.395 2.276 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038701486 803977118 /nfs/dbraw/zinc/97/71/18/803977118.db2.gz AMOCPALHZSOYFB-HNNXBMFYSA-N 1 2 299.418 2.341 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038701486 803977122 /nfs/dbraw/zinc/97/71/22/803977122.db2.gz AMOCPALHZSOYFB-HNNXBMFYSA-N 1 2 299.418 2.341 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001268028758 804084781 /nfs/dbraw/zinc/08/47/81/804084781.db2.gz MVMCFFZURXHTHH-ISXOHVOVSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001268028758 804084793 /nfs/dbraw/zinc/08/47/93/804084793.db2.gz MVMCFFZURXHTHH-ISXOHVOVSA-N 1 2 294.439 2.206 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)cc1C#N ZINC001139727822 804517089 /nfs/dbraw/zinc/51/70/89/804517089.db2.gz ZZHNUVVNTRPJKO-UHFFFAOYSA-N 1 2 283.375 2.111 20 30 CEEDLO Cc1ccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)cc1C#N ZINC001139727822 804517096 /nfs/dbraw/zinc/51/70/96/804517096.db2.gz ZZHNUVVNTRPJKO-UHFFFAOYSA-N 1 2 283.375 2.111 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CO[C@@H]2CCCC[C@@H]2CC)C1 ZINC001268300014 804602851 /nfs/dbraw/zinc/60/28/51/804602851.db2.gz LYVVIRWNIKFVIP-GOEBONIOSA-N 1 2 294.439 2.348 20 30 CEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccns1 ZINC000716002467 815026724 /nfs/dbraw/zinc/02/67/24/815026724.db2.gz ZODRIDHNZWUEML-SSDOTTSWSA-N 1 2 250.352 2.322 20 30 CEEDLO O=C(CC1CC1)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001269189460 805074225 /nfs/dbraw/zinc/07/42/25/805074225.db2.gz VIISHWDEAIZZSU-QGZVFWFLSA-N 1 2 282.387 2.029 20 30 CEEDLO O=C(CC1CC1)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001269189460 805074232 /nfs/dbraw/zinc/07/42/32/805074232.db2.gz VIISHWDEAIZZSU-QGZVFWFLSA-N 1 2 282.387 2.029 20 30 CEEDLO CCCC(CCC)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001269278942 805110543 /nfs/dbraw/zinc/11/05/43/805110543.db2.gz SDFGHXWQRVTMKA-MRXNPFEDSA-N 1 2 294.439 2.043 20 30 CEEDLO CCCC(CCC)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001269278942 805110549 /nfs/dbraw/zinc/11/05/49/805110549.db2.gz SDFGHXWQRVTMKA-MRXNPFEDSA-N 1 2 294.439 2.043 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2sccc2C)C1 ZINC001030057952 807050966 /nfs/dbraw/zinc/05/09/66/807050966.db2.gz UPPKDDHGYBNPNA-UHFFFAOYSA-N 1 2 250.367 2.047 20 30 CEEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001269793877 805255877 /nfs/dbraw/zinc/25/58/77/805255877.db2.gz LNFTZJZCGACEFT-LSDHHAIUSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001269832025 805263429 /nfs/dbraw/zinc/26/34/29/805263429.db2.gz MZSJGQQAQQZQCY-HNNXBMFYSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001270666241 805512726 /nfs/dbraw/zinc/51/27/26/805512726.db2.gz SNRBDESSBCRUQX-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001270666241 805512728 /nfs/dbraw/zinc/51/27/28/805512728.db2.gz SNRBDESSBCRUQX-HNNXBMFYSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(F)c2C)C1 ZINC001030347146 807149512 /nfs/dbraw/zinc/14/95/12/807149512.db2.gz LQOCZFWWLAETBT-UHFFFAOYSA-N 1 2 262.328 2.124 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001030415473 807177871 /nfs/dbraw/zinc/17/78/71/807177871.db2.gz FQCYSMVDGQVVSW-KRWDZBQOSA-N 1 2 299.418 2.032 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(C(F)F)c2)C1 ZINC001030669119 807299121 /nfs/dbraw/zinc/29/91/21/807299121.db2.gz OCFSQDSHWDOKHV-UHFFFAOYSA-N 1 2 280.318 2.153 20 30 CEEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)[C@H]1C ZINC001089091939 807337053 /nfs/dbraw/zinc/33/70/53/807337053.db2.gz UOFZMGHNUHOAEE-NEPJUHHUSA-N 1 2 291.420 2.092 20 30 CEEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)[C@H]1C ZINC001089091939 807337062 /nfs/dbraw/zinc/33/70/62/807337062.db2.gz UOFZMGHNUHOAEE-NEPJUHHUSA-N 1 2 291.420 2.092 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001030739412 807353029 /nfs/dbraw/zinc/35/30/29/807353029.db2.gz ZALZPOAHBUCWAX-LBPRGKRZSA-N 1 2 272.339 2.188 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001030893543 807465511 /nfs/dbraw/zinc/46/55/11/807465511.db2.gz JHWQYCBBQZZIPE-UHFFFAOYSA-N 1 2 282.746 2.008 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001031168546 807714738 /nfs/dbraw/zinc/71/47/38/807714738.db2.gz WIUYLCQGNRICNK-UKRRQHHQSA-N 1 2 262.397 2.027 20 30 CEEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)cn1 ZINC001235328205 807817157 /nfs/dbraw/zinc/81/71/57/807817157.db2.gz YOIIMYAVMINWNF-LLVKDONJSA-N 1 2 263.316 2.355 20 30 CEEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)cn1 ZINC001235328205 807817166 /nfs/dbraw/zinc/81/71/66/807817166.db2.gz YOIIMYAVMINWNF-LLVKDONJSA-N 1 2 263.316 2.355 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001031289443 807869584 /nfs/dbraw/zinc/86/95/84/807869584.db2.gz FHHGCQCIXWHQOB-OAHLLOKOSA-N 1 2 284.403 2.483 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001031298790 807875653 /nfs/dbraw/zinc/87/56/53/807875653.db2.gz WLAGQCPAAWKWQM-UHFFFAOYSA-N 1 2 296.292 2.143 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001031357200 807928967 /nfs/dbraw/zinc/92/89/67/807928967.db2.gz GWTVUNHAYLOBPH-UHFFFAOYSA-N 1 2 272.392 2.222 20 30 CEEDLO C=C(C)CC[NH+]1CC(NC(=O)c2scnc2Cl)C1 ZINC001031396376 807944506 /nfs/dbraw/zinc/94/45/06/807944506.db2.gz KPTZYBIKPODXHJ-UHFFFAOYSA-N 1 2 285.800 2.177 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001031440861 807958947 /nfs/dbraw/zinc/95/89/47/807958947.db2.gz IHFRUDUUITWZJH-UHFFFAOYSA-N 1 2 284.403 2.403 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001031453391 807963874 /nfs/dbraw/zinc/96/38/74/807963874.db2.gz VWDICUWIANDZKK-UHFFFAOYSA-N 1 2 297.402 2.097 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001031454703 807964059 /nfs/dbraw/zinc/96/40/59/807964059.db2.gz AWBAVGGCNCZYFS-CYBMUJFWSA-N 1 2 262.397 2.027 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001031498708 807978061 /nfs/dbraw/zinc/97/80/61/807978061.db2.gz FYUHKMTYAUFLMZ-UHFFFAOYSA-N 1 2 296.370 2.107 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001031499345 807978582 /nfs/dbraw/zinc/97/85/82/807978582.db2.gz WCCILSKMIYSBLA-UHFFFAOYSA-N 1 2 276.424 2.417 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001031785381 808136255 /nfs/dbraw/zinc/13/62/55/808136255.db2.gz GIYJVRFJRXXLGE-MCIONIFRSA-N 1 2 282.815 2.223 20 30 CEEDLO N#Cc1ccc(OCCNc2cc[nH+]cc2F)cc1 ZINC001171485053 815178848 /nfs/dbraw/zinc/17/88/48/815178848.db2.gz AAMQTMBZCQPGQL-UHFFFAOYSA-N 1 2 257.268 2.005 20 30 CEEDLO C=C1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC001120039312 815190543 /nfs/dbraw/zinc/19/05/43/815190543.db2.gz DPYLDXMIPPKRHG-UHFFFAOYSA-N 1 2 270.336 2.196 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001032094949 808280165 /nfs/dbraw/zinc/28/01/65/808280165.db2.gz QABYEUTZOKMXDA-UKRRQHHQSA-N 1 2 284.831 2.469 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)ccc1Cl ZINC001238189168 808325906 /nfs/dbraw/zinc/32/59/06/808325906.db2.gz NHSHVEPYBCUTFQ-STQMWFEESA-N 1 2 268.719 2.116 20 30 CEEDLO N#Cc1cc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)ccc1Cl ZINC001238189168 808325912 /nfs/dbraw/zinc/32/59/12/808325912.db2.gz NHSHVEPYBCUTFQ-STQMWFEESA-N 1 2 268.719 2.116 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001107846276 808545422 /nfs/dbraw/zinc/54/54/22/808545422.db2.gz RPHKFHJMMYSSJE-QGZVFWFLSA-N 1 2 294.439 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001107846276 808545427 /nfs/dbraw/zinc/54/54/27/808545427.db2.gz RPHKFHJMMYSSJE-QGZVFWFLSA-N 1 2 294.439 2.062 20 30 CEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107968167 808671542 /nfs/dbraw/zinc/67/15/42/808671542.db2.gz AYCJTYDXARUZBW-QGZVFWFLSA-N 1 2 294.439 2.043 20 30 CEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001107968167 808671550 /nfs/dbraw/zinc/67/15/50/808671550.db2.gz AYCJTYDXARUZBW-QGZVFWFLSA-N 1 2 294.439 2.043 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969745 808684418 /nfs/dbraw/zinc/68/44/18/808684418.db2.gz UBGHXVYPHGIVMD-MRXNPFEDSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969745 808684421 /nfs/dbraw/zinc/68/44/21/808684421.db2.gz UBGHXVYPHGIVMD-MRXNPFEDSA-N 1 2 282.428 2.062 20 30 CEEDLO N#CCc1ccc[nH+]c1NCCOc1cccnc1 ZINC001168610417 808707694 /nfs/dbraw/zinc/70/76/94/808707694.db2.gz FNNVXTKMFVPKEE-UHFFFAOYSA-N 1 2 254.293 2.034 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)ccc(C)c1F ZINC001032603644 808726087 /nfs/dbraw/zinc/72/60/87/808726087.db2.gz IESIQZSNWAKQLD-RYUDHWBXSA-N 1 2 292.329 2.358 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)ccc(C)c1F ZINC001032603644 808726089 /nfs/dbraw/zinc/72/60/89/808726089.db2.gz IESIQZSNWAKQLD-RYUDHWBXSA-N 1 2 292.329 2.358 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032606135 808727682 /nfs/dbraw/zinc/72/76/82/808727682.db2.gz NJCBHRFWFNTIAL-BQFCYCMXSA-N 1 2 299.418 2.469 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032606135 808727688 /nfs/dbraw/zinc/72/76/88/808727688.db2.gz NJCBHRFWFNTIAL-BQFCYCMXSA-N 1 2 299.418 2.469 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccs1 ZINC001032622130 808737822 /nfs/dbraw/zinc/73/78/22/808737822.db2.gz HQBSYMLGWRZNIN-RDBSUJKOSA-N 1 2 288.416 2.160 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccs1 ZINC001032622130 808737828 /nfs/dbraw/zinc/73/78/28/808737828.db2.gz HQBSYMLGWRZNIN-RDBSUJKOSA-N 1 2 288.416 2.160 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncsc1C1CC1 ZINC001032625356 808740028 /nfs/dbraw/zinc/74/00/28/808740028.db2.gz MEPYZXSPTUGWDF-RYUDHWBXSA-N 1 2 289.404 2.105 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncsc1C1CC1 ZINC001032625356 808740031 /nfs/dbraw/zinc/74/00/31/808740031.db2.gz MEPYZXSPTUGWDF-RYUDHWBXSA-N 1 2 289.404 2.105 20 30 CEEDLO C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)cc1 ZINC001032644008 808770004 /nfs/dbraw/zinc/77/00/04/808770004.db2.gz SIHPMFXFVUIUBX-IRXDYDNUSA-N 1 2 280.371 2.252 20 30 CEEDLO C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)cc1 ZINC001032644008 808770007 /nfs/dbraw/zinc/77/00/07/808770007.db2.gz SIHPMFXFVUIUBX-IRXDYDNUSA-N 1 2 280.371 2.252 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1Cl ZINC001032645984 808774223 /nfs/dbraw/zinc/77/42/23/808774223.db2.gz RBKAWUPYMZVGKN-RYUDHWBXSA-N 1 2 292.741 2.011 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1Cl ZINC001032645984 808774225 /nfs/dbraw/zinc/77/42/25/808774225.db2.gz RBKAWUPYMZVGKN-RYUDHWBXSA-N 1 2 292.741 2.011 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccc3occc32)C1 ZINC001043423982 808973070 /nfs/dbraw/zinc/97/30/70/808973070.db2.gz NSYUENHDUQNJKH-UHFFFAOYSA-N 1 2 285.347 2.160 20 30 CEEDLO CCOC(=O)C1(C)CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001171946204 815257679 /nfs/dbraw/zinc/25/76/79/815257679.db2.gz GUQBHPJCIJMMOA-UHFFFAOYSA-N 1 2 294.395 2.161 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccco2)C1 ZINC001032869612 809100625 /nfs/dbraw/zinc/10/06/25/809100625.db2.gz IPDPXZCNOCOZGK-LLVKDONJSA-N 1 2 268.744 2.178 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccco2)C1 ZINC001032869612 809100627 /nfs/dbraw/zinc/10/06/27/809100627.db2.gz IPDPXZCNOCOZGK-LLVKDONJSA-N 1 2 268.744 2.178 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC2CCC2)C1 ZINC001032982377 809134699 /nfs/dbraw/zinc/13/46/99/809134699.db2.gz WHLAEIXQMDBKSD-ZDUSSCGKSA-N 1 2 270.804 2.462 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CCC2)C1 ZINC001032982377 809134702 /nfs/dbraw/zinc/13/47/02/809134702.db2.gz WHLAEIXQMDBKSD-ZDUSSCGKSA-N 1 2 270.804 2.462 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c1F ZINC001143165369 809213951 /nfs/dbraw/zinc/21/39/51/809213951.db2.gz ZCDQUUNLSHIQBC-STQMWFEESA-N 1 2 284.281 2.131 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1F ZINC001143165369 809213953 /nfs/dbraw/zinc/21/39/53/809213953.db2.gz ZCDQUUNLSHIQBC-STQMWFEESA-N 1 2 284.281 2.131 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033185227 809227449 /nfs/dbraw/zinc/22/74/49/809227449.db2.gz CIXAJLCONLLLQW-GHMZBOCLSA-N 1 2 292.757 2.317 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033185227 809227453 /nfs/dbraw/zinc/22/74/53/809227453.db2.gz CIXAJLCONLLLQW-GHMZBOCLSA-N 1 2 292.757 2.317 20 30 CEEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3occc3s2)C1 ZINC001033410606 809293458 /nfs/dbraw/zinc/29/34/58/809293458.db2.gz SAKIGQVXHGBQEO-LLVKDONJSA-N 1 2 288.372 2.274 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3occc3s2)C1 ZINC001033410606 809293464 /nfs/dbraw/zinc/29/34/64/809293464.db2.gz SAKIGQVXHGBQEO-LLVKDONJSA-N 1 2 288.372 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001033531003 809329180 /nfs/dbraw/zinc/32/91/80/809329180.db2.gz ULTBPOOJMOLEQF-GFCCVEGCSA-N 1 2 297.786 2.190 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001033531003 809329187 /nfs/dbraw/zinc/32/91/87/809329187.db2.gz ULTBPOOJMOLEQF-GFCCVEGCSA-N 1 2 297.786 2.190 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2c[nH]nc2C)C1 ZINC001033914633 809447273 /nfs/dbraw/zinc/44/72/73/809447273.db2.gz FWVBCFLEGCTTLH-LBPRGKRZSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2c[nH]nc2C)C1 ZINC001033914633 809447278 /nfs/dbraw/zinc/44/72/78/809447278.db2.gz FWVBCFLEGCTTLH-LBPRGKRZSA-N 1 2 296.802 2.007 20 30 CEEDLO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3[nH]cnc32)C1 ZINC001034001374 809474754 /nfs/dbraw/zinc/47/47/54/809474754.db2.gz VYUSSZMITAFIGL-ZDUSSCGKSA-N 1 2 298.390 2.285 20 30 CEEDLO 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LIWBXDUTORGBJJ-NSHDSACASA-N 1 2 264.394 2.180 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccncc2Cl)C1 ZINC001043962952 811417627 /nfs/dbraw/zinc/41/76/27/811417627.db2.gz BEOLYMIOBCWFHS-UHFFFAOYSA-N 1 2 279.771 2.067 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001044248092 811461318 /nfs/dbraw/zinc/46/13/18/811461318.db2.gz CUUXJPYVSBGISC-UHFFFAOYSA-N 1 2 299.418 2.011 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001044325005 811469826 /nfs/dbraw/zinc/46/98/26/811469826.db2.gz WTPQHCQBZJDTJM-QGZVFWFLSA-N 1 2 274.408 2.289 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001044348998 811474271 /nfs/dbraw/zinc/47/42/71/811474271.db2.gz FNLQYDZGFYIIOY-UHFFFAOYSA-N 1 2 276.355 2.488 20 30 CEEDLO C=CCC[NH+]1CC(N(C)C(=O)c2ccc(F)s2)C1 ZINC001044362464 811475546 /nfs/dbraw/zinc/47/55/46/811475546.db2.gz XYRYJAGNOJVNJJ-UHFFFAOYSA-N 1 2 268.357 2.220 20 30 CEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)C1 ZINC001095983208 811507815 /nfs/dbraw/zinc/50/78/15/811507815.db2.gz VLNNOHXPYFNVOG-AGIUHOORSA-N 1 2 266.360 2.034 20 30 CEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)C1 ZINC001095983208 811507819 /nfs/dbraw/zinc/50/78/19/811507819.db2.gz VLNNOHXPYFNVOG-AGIUHOORSA-N 1 2 266.360 2.034 20 30 CEEDLO C[C@H](CCCC#N)N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001172500878 815455728 /nfs/dbraw/zinc/45/57/28/815455728.db2.gz BRQWLXXUTVPWAQ-OAHLLOKOSA-N 1 2 286.423 2.469 20 30 CEEDLO CC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046089794 811676959 /nfs/dbraw/zinc/67/69/59/811676959.db2.gz JAJPRBDUOFEDQX-MRXNPFEDSA-N 1 2 290.794 2.292 20 30 CEEDLO CC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046089794 811676961 /nfs/dbraw/zinc/67/69/61/811676961.db2.gz JAJPRBDUOFEDQX-MRXNPFEDSA-N 1 2 290.794 2.292 20 30 CEEDLO C=CC[C@@H](Nc1cc(C)cn2cc[nH+]c12)C(=O)OC ZINC001169842090 811684690 /nfs/dbraw/zinc/68/46/90/811684690.db2.gz SIYHROVDNFCBEG-LLVKDONJSA-N 1 2 259.309 2.172 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C)n2)C1 ZINC001046156171 811696995 /nfs/dbraw/zinc/69/69/95/811696995.db2.gz UASKORZUXFDQNV-OAHLLOKOSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C)n2)C1 ZINC001046156171 811696996 /nfs/dbraw/zinc/69/69/96/811696996.db2.gz UASKORZUXFDQNV-OAHLLOKOSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccsn2)C1 ZINC001046408950 811751160 /nfs/dbraw/zinc/75/11/60/811751160.db2.gz OFDUESRLDVLLQG-LBPRGKRZSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccsn2)C1 ZINC001046408950 811751166 /nfs/dbraw/zinc/75/11/66/811751166.db2.gz OFDUESRLDVLLQG-LBPRGKRZSA-N 1 2 285.800 2.090 20 30 CEEDLO C=CCCC(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001108858945 811779240 /nfs/dbraw/zinc/77/92/40/811779240.db2.gz FFWMLVVKDVOZTQ-LLVKDONJSA-N 1 2 290.411 2.309 20 30 CEEDLO C=C(C)C(=O)OCCNc1[nH+]c(C)cc(C)c1C(=O)OC ZINC001157304315 812071776 /nfs/dbraw/zinc/07/17/76/812071776.db2.gz JKTPTJVUCQOUKL-UHFFFAOYSA-N 1 2 292.335 2.016 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCCCCCC)CC1 ZINC001112850680 812086300 /nfs/dbraw/zinc/08/63/00/812086300.db2.gz AQULCZRXWHMUTE-OAHLLOKOSA-N 1 2 282.428 2.302 20 30 CEEDLO C=C(C)CCC(=O)N1CC[NH+](Cc2cnccc2C)CC1 ZINC001112901660 812108868 /nfs/dbraw/zinc/10/88/68/812108868.db2.gz YUUUVSWCXDLIPO-UHFFFAOYSA-N 1 2 287.407 2.391 20 30 CEEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOCC(C)C)CC2)C1 ZINC001113323438 812219501 /nfs/dbraw/zinc/21/95/01/812219501.db2.gz PIFVRPZMCGMPAF-UHFFFAOYSA-N 1 2 294.439 2.160 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc[nH]n1 ZINC001157567899 812256016 /nfs/dbraw/zinc/25/60/16/812256016.db2.gz IEQBCWCWDWHEIY-GFCCVEGCSA-N 1 2 296.802 2.089 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc[nH]n1 ZINC001157567899 812256025 /nfs/dbraw/zinc/25/60/25/812256025.db2.gz IEQBCWCWDWHEIY-GFCCVEGCSA-N 1 2 296.802 2.089 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC001157567899 812256032 /nfs/dbraw/zinc/25/60/32/812256032.db2.gz IEQBCWCWDWHEIY-GFCCVEGCSA-N 1 2 296.802 2.089 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC001157567899 812256039 /nfs/dbraw/zinc/25/60/39/812256039.db2.gz IEQBCWCWDWHEIY-GFCCVEGCSA-N 1 2 296.802 2.089 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)COc2ccccc2)CC1 ZINC001113634724 812292183 /nfs/dbraw/zinc/29/21/83/812292183.db2.gz RUQIDRSKQCZYOX-HNNXBMFYSA-N 1 2 288.391 2.032 20 30 CEEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098195588 812368547 /nfs/dbraw/zinc/36/85/47/812368547.db2.gz ITWKFEZECNFVDM-WCQYABFASA-N 1 2 276.384 2.304 20 30 CEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098195587 812368805 /nfs/dbraw/zinc/36/88/05/812368805.db2.gz ITWKFEZECNFVDM-DGCLKSJQSA-N 1 2 276.384 2.304 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH]cc3C)cc2C1 ZINC001054291720 812558892 /nfs/dbraw/zinc/55/88/92/812558892.db2.gz DMIDKKKOTODSJU-UHFFFAOYSA-N 1 2 293.370 2.202 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]cc3C)cc2C1 ZINC001054291720 812558895 /nfs/dbraw/zinc/55/88/95/812558895.db2.gz DMIDKKKOTODSJU-UHFFFAOYSA-N 1 2 293.370 2.202 20 30 CEEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170507544 812591227 /nfs/dbraw/zinc/59/12/27/812591227.db2.gz CNTQLNZZPMYDHW-RDBSUJKOSA-N 1 2 297.395 2.062 20 30 CEEDLO N#CCc1cc[nH+]c(NCCn2nnc3ccccc32)c1 ZINC001158083390 812604912 /nfs/dbraw/zinc/60/49/12/812604912.db2.gz YZGQEHPDHCNORL-UHFFFAOYSA-N 1 2 278.319 2.004 20 30 CEEDLO CC[C@@H](CC#N)[NH+]1CC(CN(C)C(=O)OC(C)(C)C)C1 ZINC001255166145 812726848 /nfs/dbraw/zinc/72/68/48/812726848.db2.gz HDZQAHFCZPVXOM-ZDUSSCGKSA-N 1 2 281.400 2.477 20 30 CEEDLO CC[C@@H](CC#N)[N@H+](C)CCc1noc(C(C)C)n1 ZINC001255166149 812726977 /nfs/dbraw/zinc/72/69/77/812726977.db2.gz HEUMZUHVAZDPBS-NSHDSACASA-N 1 2 250.346 2.360 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+](C)CCc1noc(C(C)C)n1 ZINC001255166149 812726979 /nfs/dbraw/zinc/72/69/79/812726979.db2.gz HEUMZUHVAZDPBS-NSHDSACASA-N 1 2 250.346 2.360 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001051104064 812880148 /nfs/dbraw/zinc/88/01/48/812880148.db2.gz LQRCWXPUVKMMCW-GJZGRUSLSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001051104064 812880156 /nfs/dbraw/zinc/88/01/56/812880156.db2.gz LQRCWXPUVKMMCW-GJZGRUSLSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132653937 812914428 /nfs/dbraw/zinc/91/44/28/812914428.db2.gz VGMNBOUOKRTIDM-LBPRGKRZSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001133379246 813043362 /nfs/dbraw/zinc/04/33/62/813043362.db2.gz XGFYQEBVUOISKH-OAHLLOKOSA-N 1 2 294.399 2.001 20 30 CEEDLO CCCOC1CCC([NH2+][C@@H](CS)C(=O)OCC)CC1 ZINC001173087534 815579587 /nfs/dbraw/zinc/57/95/87/815579587.db2.gz OOUXSCAEZXSLAE-BPCQOVAHSA-N 1 2 289.441 2.175 20 30 CEEDLO C=C[C@@H]1C[C@@]1(Nc1ccn2cc[nH+]c2c1)C(=O)OCC ZINC001170916243 813637898 /nfs/dbraw/zinc/63/78/98/813637898.db2.gz GPGWEESSZZYEIV-ABAIWWIYSA-N 1 2 271.320 2.254 20 30 CEEDLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC001136309509 813666028 /nfs/dbraw/zinc/66/60/28/813666028.db2.gz ZCPLHOAJOBAWMK-OAHLLOKOSA-N 1 2 287.363 2.402 20 30 CEEDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC001136309509 813666035 /nfs/dbraw/zinc/66/60/35/813666035.db2.gz ZCPLHOAJOBAWMK-OAHLLOKOSA-N 1 2 287.363 2.402 20 30 CEEDLO C=C(Br)C[NH2+][C@H](CO)c1ccccc1OC ZINC000390563064 813797577 /nfs/dbraw/zinc/79/75/77/813797577.db2.gz SLKIZVYVCXJWBY-LLVKDONJSA-N 1 2 286.169 2.227 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cc(CC)c(O)c(CC)c2)CC1 ZINC001144150979 813969311 /nfs/dbraw/zinc/96/93/11/813969311.db2.gz LQEQLBGAMZDWST-UHFFFAOYSA-N 1 2 286.419 2.268 20 30 CEEDLO COC(=O)C1([NH2+][C@@H](C)Cc2cccc(C#N)c2)CCC1 ZINC001171179720 814060709 /nfs/dbraw/zinc/06/07/09/814060709.db2.gz XBHWSFBIHQUFCM-LBPRGKRZSA-N 1 2 272.348 2.175 20 30 CEEDLO COC(=O)[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C1CC1 ZINC001171181709 814065598 /nfs/dbraw/zinc/06/55/98/814065598.db2.gz OCAZCZMCQURQHN-IAQYHMDHSA-N 1 2 272.348 2.030 20 30 CEEDLO CC(C)NC(=S)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC001115965831 814762069 /nfs/dbraw/zinc/76/20/69/814762069.db2.gz GFMMCEAQQNZIPO-UHFFFAOYSA-N 1 2 282.388 2.098 20 30 CEEDLO CC(C)NC(=S)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC001116548221 814863080 /nfs/dbraw/zinc/86/30/80/814863080.db2.gz VCTSVKMTMBIZFB-UHFFFAOYSA-N 1 2 293.421 2.140 20 30 CEEDLO CCSC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001173303566 815658977 /nfs/dbraw/zinc/65/89/77/815658977.db2.gz YPPPJGGZIRQBLR-GXSJLCMTSA-N 1 2 257.424 2.402 20 30 CEEDLO CCSC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173303566 815658980 /nfs/dbraw/zinc/65/89/80/815658980.db2.gz YPPPJGGZIRQBLR-GXSJLCMTSA-N 1 2 257.424 2.402 20 30 CEEDLO CCSC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173303566 815658984 /nfs/dbraw/zinc/65/89/84/815658984.db2.gz YPPPJGGZIRQBLR-GXSJLCMTSA-N 1 2 257.424 2.402 20 30 CEEDLO CCSC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001173303566 815658970 /nfs/dbraw/zinc/65/89/70/815658970.db2.gz YPPPJGGZIRQBLR-GXSJLCMTSA-N 1 2 257.424 2.402 20 30 CEEDLO COC(=O)CCCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173453086 815734698 /nfs/dbraw/zinc/73/46/98/815734698.db2.gz XXHLKYTWMPHGHI-DGCLKSJQSA-N 1 2 297.420 2.382 20 30 CEEDLO COC(=O)CCCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001173453086 815734701 /nfs/dbraw/zinc/73/47/01/815734701.db2.gz XXHLKYTWMPHGHI-DGCLKSJQSA-N 1 2 297.420 2.382 20 30 CEEDLO CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095186050 815744282 /nfs/dbraw/zinc/74/42/82/815744282.db2.gz IQFVAERXWKTGGM-IKGGRYGDSA-N 1 2 297.402 2.436 20 30 CEEDLO CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095186050 815744284 /nfs/dbraw/zinc/74/42/84/815744284.db2.gz IQFVAERXWKTGGM-IKGGRYGDSA-N 1 2 297.402 2.436 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001138556510 815827777 /nfs/dbraw/zinc/82/77/77/815827777.db2.gz ZAHINFRDCZLXAV-CYBMUJFWSA-N 1 2 257.333 2.252 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001138556510 815827787 /nfs/dbraw/zinc/82/77/87/815827787.db2.gz ZAHINFRDCZLXAV-CYBMUJFWSA-N 1 2 257.333 2.252 20 30 CEEDLO C=CCc1cccc(C[NH+]2CC(C)(N(C)C)C2)c1O ZINC001138627864 815848204 /nfs/dbraw/zinc/84/82/04/815848204.db2.gz HEZNCBVJBXDHFQ-UHFFFAOYSA-N 1 2 260.381 2.257 20 30 CEEDLO CCCn1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001139039752 815948605 /nfs/dbraw/zinc/94/86/05/815948605.db2.gz WXUATYHQCRJYPL-ZDUSSCGKSA-N 1 2 277.393 2.067 20 30 CEEDLO CCCn1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001139039752 815948609 /nfs/dbraw/zinc/94/86/09/815948609.db2.gz WXUATYHQCRJYPL-ZDUSSCGKSA-N 1 2 277.393 2.067 20 30 CEEDLO Cn1c2ccccc2c(C[N@@H+]2CCC[C@@H](C#N)C2)cc1=O ZINC001139757650 816109457 /nfs/dbraw/zinc/10/94/57/816109457.db2.gz AXNOSUXWMFCXKW-ZDUSSCGKSA-N 1 2 281.359 2.274 20 30 CEEDLO Cn1c2ccccc2c(C[N@H+]2CCC[C@@H](C#N)C2)cc1=O ZINC001139757650 816109464 /nfs/dbraw/zinc/10/94/64/816109464.db2.gz AXNOSUXWMFCXKW-ZDUSSCGKSA-N 1 2 281.359 2.274 20 30 CEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(C)cn2)CC1 ZINC001139842311 816125028 /nfs/dbraw/zinc/12/50/28/816125028.db2.gz FJBKZZLRFVSAJM-UHFFFAOYSA-N 1 2 287.363 2.059 20 30 CEEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCO[C@H]4C[C@H]43)c2c1 ZINC001140117116 816194008 /nfs/dbraw/zinc/19/40/08/816194008.db2.gz LQOWTEDUBCQYAC-CABCVRRESA-N 1 2 253.305 2.013 20 30 CEEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCO[C@H]4C[C@H]43)c2c1 ZINC001140117116 816194011 /nfs/dbraw/zinc/19/40/11/816194011.db2.gz LQOWTEDUBCQYAC-CABCVRRESA-N 1 2 253.305 2.013 20 30 CEEDLO C#Cc1cc(Nc2ccc(C(=O)N(C)C)cc2F)cc[nH+]1 ZINC001176199259 816374273 /nfs/dbraw/zinc/37/42/73/816374273.db2.gz PTARBSRYDSAXGL-UHFFFAOYSA-N 1 2 283.306 2.069 20 30 CEEDLO N#Cc1c(N)sc(CN2CCn3c[nH+]cc3C2)c1Cl ZINC001141114338 816476450 /nfs/dbraw/zinc/47/64/50/816476450.db2.gz MNYJVHKRERRMKV-UHFFFAOYSA-N 1 2 293.783 2.068 20 30 CEEDLO N#Cc1cccc(C(F)(F)F)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176832049 816482211 /nfs/dbraw/zinc/48/22/11/816482211.db2.gz GEFKVLMNNHNUPZ-UHFFFAOYSA-N 1 2 294.236 2.481 20 30 CEEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC12CC2 ZINC001141167898 816494688 /nfs/dbraw/zinc/49/46/88/816494688.db2.gz DMNGIQDLWGEKRQ-AWEZNQCLSA-N 1 2 288.322 2.082 20 30 CEEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC12CC2 ZINC001141167898 816494696 /nfs/dbraw/zinc/49/46/96/816494696.db2.gz DMNGIQDLWGEKRQ-AWEZNQCLSA-N 1 2 288.322 2.082 20 30 CEEDLO C[C@H](NC(=O)CN(C)c1cccc[nH+]1)c1cccc(C#N)c1 ZINC001177413883 816558782 /nfs/dbraw/zinc/55/87/82/816558782.db2.gz JOYNMIUIAYNCFP-ZDUSSCGKSA-N 1 2 294.358 2.267 20 30 CEEDLO N#CCc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1F ZINC001178118261 816678760 /nfs/dbraw/zinc/67/87/60/816678760.db2.gz RNWXRPPJDXMVMR-GFCCVEGCSA-N 1 2 298.321 2.289 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000121240922 365538663 /nfs/dbraw/zinc/53/86/63/365538663.db2.gz QVOSOWMIVRGUGS-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000121240922 365538670 /nfs/dbraw/zinc/53/86/70/365538670.db2.gz QVOSOWMIVRGUGS-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000336262028 365540580 /nfs/dbraw/zinc/54/05/80/365540580.db2.gz MDEPSUQFTJQDET-CQSZACIVSA-N 1 2 269.348 2.444 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000121445669 365568830 /nfs/dbraw/zinc/56/88/30/365568830.db2.gz AROYELJVBIGEEE-UHFFFAOYSA-N 1 2 293.323 2.050 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000121445669 365568834 /nfs/dbraw/zinc/56/88/34/365568834.db2.gz AROYELJVBIGEEE-UHFFFAOYSA-N 1 2 293.323 2.050 20 30 CEEDLO C#CCSCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000121523998 365579629 /nfs/dbraw/zinc/57/96/29/365579629.db2.gz ANFLVIFZTUEJIT-LBPRGKRZSA-N 1 2 292.408 2.013 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000121629277 365595862 /nfs/dbraw/zinc/59/58/62/365595862.db2.gz GHKIZDNRBIQHST-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000121629277 365595872 /nfs/dbraw/zinc/59/58/72/365595872.db2.gz GHKIZDNRBIQHST-UHFFFAOYSA-N 1 2 272.348 2.322 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nnc2n1CCC2 ZINC000269404651 190491697 /nfs/dbraw/zinc/49/16/97/190491697.db2.gz HHXKYLYHEJNMGK-JTQLQIEISA-N 1 2 285.326 2.086 20 30 CEEDLO C=C[C@H](C)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000123208242 365635790 /nfs/dbraw/zinc/63/57/90/365635790.db2.gz WBJOQBSFLHRDGP-VIFPVBQESA-N 1 2 253.371 2.180 20 30 CEEDLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000125253747 187176438 /nfs/dbraw/zinc/17/64/38/187176438.db2.gz VFYBLUPSEZESHJ-LBPRGKRZSA-N 1 2 276.311 2.082 20 30 CEEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000125253747 187176439 /nfs/dbraw/zinc/17/64/39/187176439.db2.gz VFYBLUPSEZESHJ-LBPRGKRZSA-N 1 2 276.311 2.082 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)ccn12 ZINC000601802359 346901611 /nfs/dbraw/zinc/90/16/11/346901611.db2.gz SXSCDGVULWNDKC-KBPBESRZSA-N 1 2 282.347 2.407 20 30 CEEDLO O=C(NO)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000671996705 539197780 /nfs/dbraw/zinc/19/77/80/539197780.db2.gz WSQDTKZZZAXNIP-NSHDSACASA-N 1 2 299.168 2.091 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nncn1-c1ccccc1 ZINC000329359165 539237770 /nfs/dbraw/zinc/23/77/70/539237770.db2.gz GJXRHRLMORMLCG-JSGCOSHPSA-N 1 2 267.336 2.049 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)[C@H]1CCc2cccnc21 ZINC000329400641 539238625 /nfs/dbraw/zinc/23/86/25/539238625.db2.gz VWMJZXAMODPDIU-NSHDSACASA-N 1 2 256.309 2.002 20 30 CEEDLO C[C@@H]1C[NH+](Cc2nc(C#N)cs2)C[C@@H](C)S1 ZINC000336621152 365731512 /nfs/dbraw/zinc/73/15/12/365731512.db2.gz BGROITJVEPPXFF-RKDXNWHRSA-N 1 2 253.396 2.341 20 30 CEEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccn1 ZINC000126555658 187247371 /nfs/dbraw/zinc/24/73/71/187247371.db2.gz ZUNRVVCJTZAEQG-UHFFFAOYSA-N 1 2 294.358 2.414 20 30 CEEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccn1 ZINC000126555658 187247372 /nfs/dbraw/zinc/24/73/72/187247372.db2.gz ZUNRVVCJTZAEQG-UHFFFAOYSA-N 1 2 294.358 2.414 20 30 CEEDLO C=CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000029318980 343399321 /nfs/dbraw/zinc/39/93/21/343399321.db2.gz RDYYQJHCGICSGR-ZDUSSCGKSA-N 1 2 288.326 2.134 20 30 CEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)nc1 ZINC000037132996 343425511 /nfs/dbraw/zinc/42/55/11/343425511.db2.gz WSPOAZMEMLHNJM-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052239050 343559067 /nfs/dbraw/zinc/55/90/67/343559067.db2.gz QAXYYYWLPWIOHW-UHFFFAOYSA-N 1 2 250.367 2.082 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000064795226 343692891 /nfs/dbraw/zinc/69/28/91/343692891.db2.gz QWGDTZOQCXTLBB-HIFRSBDPSA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000064795226 343692892 /nfs/dbraw/zinc/69/28/92/343692892.db2.gz QWGDTZOQCXTLBB-HIFRSBDPSA-N 1 2 276.380 2.135 20 30 CEEDLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602008239 346957080 /nfs/dbraw/zinc/95/70/80/346957080.db2.gz SHZOJIDXYVRGDR-MNOVXSKESA-N 1 2 277.343 2.090 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459995 343736971 /nfs/dbraw/zinc/73/69/71/343736971.db2.gz VLWGYOOTQXEYGU-UHFFFAOYSA-N 1 2 276.771 2.218 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459995 343736973 /nfs/dbraw/zinc/73/69/73/343736973.db2.gz VLWGYOOTQXEYGU-UHFFFAOYSA-N 1 2 276.771 2.218 20 30 CEEDLO CC[N@H+](CCC#N)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000081039186 344036845 /nfs/dbraw/zinc/03/68/45/344036845.db2.gz SAQLUYHRPRCUIJ-UHFFFAOYSA-N 1 2 287.363 2.453 20 30 CEEDLO CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000081039186 344036847 /nfs/dbraw/zinc/03/68/47/344036847.db2.gz SAQLUYHRPRCUIJ-UHFFFAOYSA-N 1 2 287.363 2.453 20 30 CEEDLO CC(C)C[C@@H](C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602089391 346970980 /nfs/dbraw/zinc/97/09/80/346970980.db2.gz DYXMCMPMXVAMMF-LBPRGKRZSA-N 1 2 298.346 2.246 20 30 CEEDLO CCC[C@H](C#N)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602088213 346971313 /nfs/dbraw/zinc/97/13/13/346971313.db2.gz HZTCSEHMDQUBKZ-ZJUUUORDSA-N 1 2 288.273 2.185 20 30 CEEDLO CN(CC1CCCC1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330197335 529863275 /nfs/dbraw/zinc/86/32/75/529863275.db2.gz RRNMQMFDHHVIIO-CYBMUJFWSA-N 1 2 276.384 2.234 20 30 CEEDLO Cc1cn2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2[nH+]1 ZINC000602144673 346982332 /nfs/dbraw/zinc/98/23/32/346982332.db2.gz NQCJZKZNYKRVSX-UHFFFAOYSA-N 1 2 282.347 2.409 20 30 CEEDLO CC(C)C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)n1cc[nH+]c1 ZINC000602153178 346983112 /nfs/dbraw/zinc/98/31/12/346983112.db2.gz LHAOJCLTBCGORR-SWLSCSKDSA-N 1 2 274.368 2.279 20 30 CEEDLO CC(C)(CC#N)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602160018 346984873 /nfs/dbraw/zinc/98/48/73/346984873.db2.gz VCZNLRWYSQVLLN-UHFFFAOYSA-N 1 2 298.346 2.248 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000076848596 343900399 /nfs/dbraw/zinc/90/03/99/343900399.db2.gz PCERFGARLUDZCH-UHFFFAOYSA-N 1 2 286.375 2.082 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000076848596 343900402 /nfs/dbraw/zinc/90/04/02/343900402.db2.gz PCERFGARLUDZCH-UHFFFAOYSA-N 1 2 286.375 2.082 20 30 CEEDLO COc1cc(C#N)ccc1Oc1cc(-n2cc[nH+]c2)ncn1 ZINC000077165465 343908749 /nfs/dbraw/zinc/90/87/49/343908749.db2.gz KTRXJEMSULUXBL-UHFFFAOYSA-N 1 2 293.286 2.335 20 30 CEEDLO N#CCc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000089487273 344124186 /nfs/dbraw/zinc/12/41/86/344124186.db2.gz BUFBFEBFEPVISR-UHFFFAOYSA-N 1 2 253.261 2.106 20 30 CEEDLO C#CC[NH+]1CCN(c2cc(C(C)C)nc(C(C)C)n2)CC1 ZINC000090069992 344135744 /nfs/dbraw/zinc/13/57/44/344135744.db2.gz XSCVVXPOJWZDMR-UHFFFAOYSA-N 1 2 286.423 2.479 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CCC)cc1 ZINC000093771311 344229329 /nfs/dbraw/zinc/22/93/29/344229329.db2.gz WGFSZIPHUYYNFE-MRXNPFEDSA-N 1 2 288.391 2.352 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CCC)cc1 ZINC000093771311 344229330 /nfs/dbraw/zinc/22/93/30/344229330.db2.gz WGFSZIPHUYYNFE-MRXNPFEDSA-N 1 2 288.391 2.352 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102409022 344250735 /nfs/dbraw/zinc/25/07/35/344250735.db2.gz YUUHLDAEUVSZIX-UHFFFAOYSA-N 1 2 262.353 2.302 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102409022 344250737 /nfs/dbraw/zinc/25/07/37/344250737.db2.gz YUUHLDAEUVSZIX-UHFFFAOYSA-N 1 2 262.353 2.302 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000104414351 344254551 /nfs/dbraw/zinc/25/45/51/344254551.db2.gz JOKIQIWFSOOXTK-UHFFFAOYSA-N 1 2 276.384 2.452 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cncc(Br)c1 ZINC000124975685 344317284 /nfs/dbraw/zinc/31/72/84/344317284.db2.gz DPGTWVXPZIOQSL-QMMMGPOBSA-N 1 2 254.131 2.093 20 30 CEEDLO C[N@H+](Cc1ccsc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152930618 344428025 /nfs/dbraw/zinc/42/80/25/344428025.db2.gz VOWZMCGCQZLOLW-AWEZNQCLSA-N 1 2 285.372 2.278 20 30 CEEDLO C[N@@H+](Cc1ccsc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000152930618 344428027 /nfs/dbraw/zinc/42/80/27/344428027.db2.gz VOWZMCGCQZLOLW-AWEZNQCLSA-N 1 2 285.372 2.278 20 30 CEEDLO C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139868679 344395547 /nfs/dbraw/zinc/39/55/47/344395547.db2.gz BQOUKUCQCHIVNW-MRVPVSSYSA-N 1 2 257.253 2.363 20 30 CEEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000142033879 344402054 /nfs/dbraw/zinc/40/20/54/344402054.db2.gz BOEDUGNPHJXCFF-LBPRGKRZSA-N 1 2 289.383 2.027 20 30 CEEDLO N#CC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000146884210 344410864 /nfs/dbraw/zinc/41/08/64/344410864.db2.gz MAGJXNUUTHODLR-UHFFFAOYSA-N 1 2 294.358 2.307 20 30 CEEDLO Cc1cc(C#N)cc(NCCCCn2cc[nH+]c2)n1 ZINC000161030779 344463121 /nfs/dbraw/zinc/46/31/21/344463121.db2.gz FYWNKSIEKOMFDU-UHFFFAOYSA-N 1 2 255.325 2.351 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000051315812 362428366 /nfs/dbraw/zinc/42/83/66/362428366.db2.gz YZHYIPZDMUZDNP-UHFFFAOYSA-N 1 2 277.755 2.123 20 30 CEEDLO C[C@H](CCC#N)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000602522236 347065321 /nfs/dbraw/zinc/06/53/21/347065321.db2.gz SELJMVRSMXQUNL-CYBMUJFWSA-N 1 2 258.369 2.455 20 30 CEEDLO N#CCCCOc1cccnc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280379993 344674218 /nfs/dbraw/zinc/67/42/18/344674218.db2.gz WAODVAWZHKEMRE-UHFFFAOYSA-N 1 2 299.334 2.059 20 30 CEEDLO N#CCCCOc1cccnc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280379993 344674219 /nfs/dbraw/zinc/67/42/19/344674219.db2.gz WAODVAWZHKEMRE-UHFFFAOYSA-N 1 2 299.334 2.059 20 30 CEEDLO N#CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000258615768 344648965 /nfs/dbraw/zinc/64/89/65/344648965.db2.gz CNDWYJYEZPDQFH-LLVKDONJSA-N 1 2 257.341 2.181 20 30 CEEDLO N#CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000258615768 344648966 /nfs/dbraw/zinc/64/89/66/344648966.db2.gz CNDWYJYEZPDQFH-LLVKDONJSA-N 1 2 257.341 2.181 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Br)cn1 ZINC000308590214 344727886 /nfs/dbraw/zinc/72/78/86/344727886.db2.gz UXPFKEVXFJPPND-MRVPVSSYSA-N 1 2 254.131 2.236 20 30 CEEDLO C[C@H]1C[C@]1(C#N)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000351067082 344793428 /nfs/dbraw/zinc/79/34/28/344793428.db2.gz TVXSRKVHBJQQLU-ZUZCIYMTSA-N 1 2 279.303 2.109 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364719556 344811751 /nfs/dbraw/zinc/81/17/51/344811751.db2.gz BXIFOHXRYTXYMI-BBRMVZONSA-N 1 2 269.348 2.369 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000364719556 344811753 /nfs/dbraw/zinc/81/17/53/344811753.db2.gz BXIFOHXRYTXYMI-BBRMVZONSA-N 1 2 269.348 2.369 20 30 CEEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)sn1 ZINC000401075062 344865847 /nfs/dbraw/zinc/86/58/47/344865847.db2.gz KHSMBMWDNOWLKC-UHFFFAOYSA-N 1 2 251.355 2.277 20 30 CEEDLO CCn1ccnc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404097909 344877524 /nfs/dbraw/zinc/87/75/24/344877524.db2.gz CPTYARLBLASKBQ-UHFFFAOYSA-N 1 2 258.300 2.204 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000054182257 362517971 /nfs/dbraw/zinc/51/79/71/362517971.db2.gz NVBMMLVTYMYKEV-LBPRGKRZSA-N 1 2 278.352 2.494 20 30 CEEDLO N#CC1(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000590156554 345118731 /nfs/dbraw/zinc/11/87/31/345118731.db2.gz YYDBTDRNLQPVEU-UHFFFAOYSA-N 1 2 298.390 2.382 20 30 CEEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000589642233 345091557 /nfs/dbraw/zinc/09/15/57/345091557.db2.gz GFLRDNBICDMDHT-LBPRGKRZSA-N 1 2 295.346 2.041 20 30 CEEDLO Cc1ccc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc2n1 ZINC000589827812 345100144 /nfs/dbraw/zinc/10/01/44/345100144.db2.gz MQLZTWWDNCZIHT-KRWDZBQOSA-N 1 2 296.374 2.117 20 30 CEEDLO Cc1ccc(Cc2noc(CC3(C#N)CC3)n2)c[nH+]1 ZINC000590267186 345123418 /nfs/dbraw/zinc/12/34/18/345123418.db2.gz LAUBFFLHLAPDOY-UHFFFAOYSA-N 1 2 254.293 2.210 20 30 CEEDLO Cc1cn2c([nH+]1)CN(Cc1cccc(F)c1C#N)CC2 ZINC000589990734 345108421 /nfs/dbraw/zinc/10/84/21/345108421.db2.gz HSCWYFAGGONQFS-UHFFFAOYSA-N 1 2 270.311 2.218 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000590050735 345111600 /nfs/dbraw/zinc/11/16/00/345111600.db2.gz WHPSTJCBRQZTQA-UHFFFAOYSA-N 1 2 283.375 2.480 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000590050735 345111601 /nfs/dbraw/zinc/11/16/01/345111601.db2.gz WHPSTJCBRQZTQA-UHFFFAOYSA-N 1 2 283.375 2.480 20 30 CEEDLO C[C@H]1C[C@@H](Nc2nccc(C#N)c2Cl)c2[nH+]ccn21 ZINC000590723646 345168285 /nfs/dbraw/zinc/16/82/85/345168285.db2.gz PRMSLFBQKOZQNM-WCBMZHEXSA-N 1 2 273.727 2.343 20 30 CEEDLO N#CCc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000590884482 345194413 /nfs/dbraw/zinc/19/44/13/345194413.db2.gz PMALMYYDHCVEHA-CYBMUJFWSA-N 1 2 280.331 2.150 20 30 CEEDLO CC(C)(CC#N)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590949396 345203667 /nfs/dbraw/zinc/20/36/67/345203667.db2.gz UFHGDLDGKNSCFM-CYBMUJFWSA-N 1 2 289.383 2.169 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000590952834 345204526 /nfs/dbraw/zinc/20/45/26/345204526.db2.gz OILQAJKIFIKMJD-LBPRGKRZSA-N 1 2 289.335 2.061 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000590952834 345204528 /nfs/dbraw/zinc/20/45/28/345204528.db2.gz OILQAJKIFIKMJD-LBPRGKRZSA-N 1 2 289.335 2.061 20 30 CEEDLO N#Cc1cnccc1C[NH+]1CCC(C(F)F)CC1 ZINC000592075812 345320050 /nfs/dbraw/zinc/32/00/50/345320050.db2.gz PEZGIFSVFZQIFQ-UHFFFAOYSA-N 1 2 251.280 2.430 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000592146438 345329606 /nfs/dbraw/zinc/32/96/06/345329606.db2.gz HRKGULZBSYGNHH-NSHDSACASA-N 1 2 256.758 2.252 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000592146438 345329607 /nfs/dbraw/zinc/32/96/07/345329607.db2.gz HRKGULZBSYGNHH-NSHDSACASA-N 1 2 256.758 2.252 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000592153696 345331722 /nfs/dbraw/zinc/33/17/22/345331722.db2.gz NWTCNUIZWZMGPD-CYBMUJFWSA-N 1 2 268.719 2.330 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000592153696 345331724 /nfs/dbraw/zinc/33/17/24/345331724.db2.gz NWTCNUIZWZMGPD-CYBMUJFWSA-N 1 2 268.719 2.330 20 30 CEEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592154494 345331987 /nfs/dbraw/zinc/33/19/87/345331987.db2.gz RZZCSNJNXWVEFD-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592154494 345331989 /nfs/dbraw/zinc/33/19/89/345331989.db2.gz RZZCSNJNXWVEFD-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO Cc1cccc2[nH+]c(CCNC(=O)C3(C#N)CC(C)C3)cn21 ZINC000592937427 345415109 /nfs/dbraw/zinc/41/51/09/345415109.db2.gz BEQMDDZNMKQYRT-UHFFFAOYSA-N 1 2 296.374 2.241 20 30 CEEDLO Cn1nccc1[C@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000593108643 345441091 /nfs/dbraw/zinc/44/10/91/345441091.db2.gz DLVZBZSRINZXPS-CQSZACIVSA-N 1 2 276.384 2.123 20 30 CEEDLO Cn1nccc1[C@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000593108643 345441094 /nfs/dbraw/zinc/44/10/94/345441094.db2.gz DLVZBZSRINZXPS-CQSZACIVSA-N 1 2 276.384 2.123 20 30 CEEDLO CCn1cc[nH+]c1CN1Cc2cccc(C#N)c2C1 ZINC000593120968 345443743 /nfs/dbraw/zinc/44/37/43/345443743.db2.gz JTTHWKSHCAJXDU-UHFFFAOYSA-N 1 2 252.321 2.290 20 30 CEEDLO CC(C)N1CCC[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593120032 345443904 /nfs/dbraw/zinc/44/39/04/345443904.db2.gz MYZFVKCVWKYWKR-INIZCTEOSA-N 1 2 283.375 2.273 20 30 CEEDLO CC(C)N1CCC[C@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593120032 345443907 /nfs/dbraw/zinc/44/39/07/345443907.db2.gz MYZFVKCVWKYWKR-INIZCTEOSA-N 1 2 283.375 2.273 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H]1CCc2ccccc21 ZINC000593154379 345448118 /nfs/dbraw/zinc/44/81/18/345448118.db2.gz JFVZSCLHJUPRIS-RHSMWYFYSA-N 1 2 285.391 2.067 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000593977296 345559215 /nfs/dbraw/zinc/55/92/15/345559215.db2.gz XPSQOUAUTRLKNR-ZDUSSCGKSA-N 1 2 299.296 2.497 20 30 CEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593977296 345559216 /nfs/dbraw/zinc/55/92/16/345559216.db2.gz XPSQOUAUTRLKNR-ZDUSSCGKSA-N 1 2 299.296 2.497 20 30 CEEDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1 ZINC000594514664 345641665 /nfs/dbraw/zinc/64/16/65/345641665.db2.gz YVGYVQDKQROEAG-BXUZGUMPSA-N 1 2 297.362 2.379 20 30 CEEDLO N#CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000057878261 362599049 /nfs/dbraw/zinc/59/90/49/362599049.db2.gz QCCWZHVRVLZQRS-GOSISDBHSA-N 1 2 297.402 2.489 20 30 CEEDLO C[N@H+]1Cc2ccccc2[C@H](NCc2cccc(C#N)n2)C1 ZINC000602580452 347087119 /nfs/dbraw/zinc/08/71/19/347087119.db2.gz NWHZXVHNPNCRGC-QGZVFWFLSA-N 1 2 278.359 2.230 20 30 CEEDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2cccc(C#N)n2)C1 ZINC000602580452 347087123 /nfs/dbraw/zinc/08/71/23/347087123.db2.gz NWHZXVHNPNCRGC-QGZVFWFLSA-N 1 2 278.359 2.230 20 30 CEEDLO COc1cccc(OC)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000594713648 345676939 /nfs/dbraw/zinc/67/69/39/345676939.db2.gz USPFJGRKNNQMQI-GFCCVEGCSA-N 1 2 273.336 2.237 20 30 CEEDLO C[C@@H]1C[NH+](CCSc2ccncc2C#N)C[C@@H](C)O1 ZINC000594913761 345700027 /nfs/dbraw/zinc/70/00/27/345700027.db2.gz FDGJHTSFUDLKQG-VXGBXAGGSA-N 1 2 277.393 2.155 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCCc1ccccc1 ZINC000573694550 334958444 /nfs/dbraw/zinc/95/84/44/334958444.db2.gz FBVXNRMREMFQON-HNNXBMFYSA-N 1 2 273.380 2.017 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000595424426 345779056 /nfs/dbraw/zinc/77/90/56/345779056.db2.gz IIJVQEDDAAUFIS-TTZDDIAXSA-N 1 2 275.396 2.059 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000595424426 345779059 /nfs/dbraw/zinc/77/90/59/345779059.db2.gz IIJVQEDDAAUFIS-TTZDDIAXSA-N 1 2 275.396 2.059 20 30 CEEDLO N#Cc1ccc(CN2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000595492901 345795370 /nfs/dbraw/zinc/79/53/70/345795370.db2.gz YWVDEFKFNYZFOR-UHFFFAOYSA-N 1 2 272.739 2.424 20 30 CEEDLO C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000595537291 345805553 /nfs/dbraw/zinc/80/55/53/345805553.db2.gz AMQHRLVVKFLDJK-NSHDSACASA-N 1 2 283.335 2.184 20 30 CEEDLO C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000595537291 345805556 /nfs/dbraw/zinc/80/55/56/345805556.db2.gz AMQHRLVVKFLDJK-NSHDSACASA-N 1 2 283.335 2.184 20 30 CEEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cscn1 ZINC000595669419 345844060 /nfs/dbraw/zinc/84/40/60/345844060.db2.gz UPDFOEABMZAQGN-QMMMGPOBSA-N 1 2 292.389 2.366 20 30 CEEDLO CC#CCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595673559 345845137 /nfs/dbraw/zinc/84/51/37/345845137.db2.gz IJDJWNSQHHKKLL-HNNXBMFYSA-N 1 2 275.348 2.255 20 30 CEEDLO CC#CCC[N@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595673559 345845139 /nfs/dbraw/zinc/84/51/39/345845139.db2.gz IJDJWNSQHHKKLL-HNNXBMFYSA-N 1 2 275.348 2.255 20 30 CEEDLO C=CCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595673992 345845329 /nfs/dbraw/zinc/84/53/29/345845329.db2.gz HMIAFXZZOPOVLR-CQSZACIVSA-N 1 2 263.337 2.417 20 30 CEEDLO C=CCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595673992 345845332 /nfs/dbraw/zinc/84/53/32/345845332.db2.gz HMIAFXZZOPOVLR-CQSZACIVSA-N 1 2 263.337 2.417 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)c2[nH+]ccn21 ZINC000595641805 345835806 /nfs/dbraw/zinc/83/58/06/345835806.db2.gz DIIYLXDVSPXCHG-AGIUHOORSA-N 1 2 287.367 2.224 20 30 CEEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835324 345891249 /nfs/dbraw/zinc/89/12/49/345891249.db2.gz OIGRWSNXWTWGHK-HNNXBMFYSA-N 1 2 258.321 2.209 20 30 CEEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835324 345891253 /nfs/dbraw/zinc/89/12/53/345891253.db2.gz OIGRWSNXWTWGHK-HNNXBMFYSA-N 1 2 258.321 2.209 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595839917 345894805 /nfs/dbraw/zinc/89/48/05/345894805.db2.gz KFYRFKIDBSBFOM-INIZCTEOSA-N 1 2 282.347 2.113 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595839917 345894808 /nfs/dbraw/zinc/89/48/08/345894808.db2.gz KFYRFKIDBSBFOM-INIZCTEOSA-N 1 2 282.347 2.113 20 30 CEEDLO C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1[nH+]ccn1C ZINC000595844157 345896925 /nfs/dbraw/zinc/89/69/25/345896925.db2.gz AWMZTOUKZMYLCV-NSHDSACASA-N 1 2 295.346 2.078 20 30 CEEDLO CCN(Cc1[nH+]ccn1CC(F)(F)F)[C@@H](C)C#N ZINC000595813155 345883117 /nfs/dbraw/zinc/88/31/17/345883117.db2.gz LJKOZULSRWMJPT-VIFPVBQESA-N 1 2 260.263 2.179 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1cccc(C#N)c1 ZINC000595860099 345900413 /nfs/dbraw/zinc/90/04/13/345900413.db2.gz GVMPSQLQWNWXRH-UHFFFAOYSA-N 1 2 270.332 2.086 20 30 CEEDLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1cccc(C#N)c1 ZINC000595860099 345900418 /nfs/dbraw/zinc/90/04/18/345900418.db2.gz GVMPSQLQWNWXRH-UHFFFAOYSA-N 1 2 270.332 2.086 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595868465 345901753 /nfs/dbraw/zinc/90/17/53/345901753.db2.gz WULIXABEBMTQQM-IINYFYTJSA-N 1 2 279.290 2.031 20 30 CEEDLO CCCn1nccc1CNc1cc(CC#N)cc[nH+]1 ZINC000596023807 345924641 /nfs/dbraw/zinc/92/46/41/345924641.db2.gz LBAOABDGJFNQOY-UHFFFAOYSA-N 1 2 255.325 2.366 20 30 CEEDLO N#Cc1nc(NCCCNc2cccc[nH+]2)sc1Cl ZINC000596080703 345935351 /nfs/dbraw/zinc/93/53/51/345935351.db2.gz MGMSUILISNZRMR-UHFFFAOYSA-N 1 2 293.783 2.399 20 30 CEEDLO N#CC[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000596330699 346001729 /nfs/dbraw/zinc/00/17/29/346001729.db2.gz NDXLFRGQBIMCDV-CYBMUJFWSA-N 1 2 271.368 2.207 20 30 CEEDLO N#CC[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000596330699 346001730 /nfs/dbraw/zinc/00/17/30/346001730.db2.gz NDXLFRGQBIMCDV-CYBMUJFWSA-N 1 2 271.368 2.207 20 30 CEEDLO COc1cccc(OC)c1CNc1cc(C)[nH+]cc1C#N ZINC000596415832 346019151 /nfs/dbraw/zinc/01/91/51/346019151.db2.gz NLKFSWYOWIYGIP-UHFFFAOYSA-N 1 2 283.331 2.313 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000596586331 346060195 /nfs/dbraw/zinc/06/01/95/346060195.db2.gz XQDZDPKQKNYIOJ-OAHLLOKOSA-N 1 2 295.346 2.110 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000596586331 346060197 /nfs/dbraw/zinc/06/01/97/346060197.db2.gz XQDZDPKQKNYIOJ-OAHLLOKOSA-N 1 2 295.346 2.110 20 30 CEEDLO CO[C@@H](CNc1cc(C)[nH+]cc1C#N)C1CCCC1 ZINC000596529344 346046721 /nfs/dbraw/zinc/04/67/21/346046721.db2.gz RCTKIWJKYHFXDI-HNNXBMFYSA-N 1 2 259.353 2.301 20 30 CEEDLO Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000597080878 346125441 /nfs/dbraw/zinc/12/54/41/346125441.db2.gz VKDBBUKLAHVRCA-HNNXBMFYSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000597080878 346125442 /nfs/dbraw/zinc/12/54/42/346125442.db2.gz VKDBBUKLAHVRCA-HNNXBMFYSA-N 1 2 258.369 2.423 20 30 CEEDLO Cc1cn2ccc(NC(=O)N[C@@H](C)CC#N)cc2[nH+]1 ZINC000597126944 346131316 /nfs/dbraw/zinc/13/13/16/346131316.db2.gz DUHZLGAJQFIIGH-VIFPVBQESA-N 1 2 257.297 2.066 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597143715 346135173 /nfs/dbraw/zinc/13/51/73/346135173.db2.gz CFCCTKJMRUXWJK-ZDUSSCGKSA-N 1 2 288.395 2.303 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597143715 346135175 /nfs/dbraw/zinc/13/51/75/346135175.db2.gz CFCCTKJMRUXWJK-ZDUSSCGKSA-N 1 2 288.395 2.303 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000597323178 346171379 /nfs/dbraw/zinc/17/13/79/346171379.db2.gz FLCYHPXJGQOHIF-NILFDRSVSA-N 1 2 294.358 2.273 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000597341027 346173759 /nfs/dbraw/zinc/17/37/59/346173759.db2.gz CFQXBFGNTNVBCG-DZGCQCFKSA-N 1 2 286.379 2.034 20 30 CEEDLO CCN(C)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597231436 346155784 /nfs/dbraw/zinc/15/57/84/346155784.db2.gz NVXVDLRAEXTKEE-OAHLLOKOSA-N 1 2 258.369 2.273 20 30 CEEDLO CCN(C)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597231436 346155787 /nfs/dbraw/zinc/15/57/87/346155787.db2.gz NVXVDLRAEXTKEE-OAHLLOKOSA-N 1 2 258.369 2.273 20 30 CEEDLO COc1cc2c(cc1C[N@@H+]1CC[C@](C)(C#N)C1)OCO2 ZINC000597231642 346156182 /nfs/dbraw/zinc/15/61/82/346156182.db2.gz OCPJEFLIRVTWEV-OAHLLOKOSA-N 1 2 274.320 2.159 20 30 CEEDLO COc1cc2c(cc1C[N@H+]1CC[C@](C)(C#N)C1)OCO2 ZINC000597231642 346156184 /nfs/dbraw/zinc/15/61/84/346156184.db2.gz OCPJEFLIRVTWEV-OAHLLOKOSA-N 1 2 274.320 2.159 20 30 CEEDLO C=CCCSCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000597967085 346258916 /nfs/dbraw/zinc/25/89/16/346258916.db2.gz MRHDXZUGIXYXFG-UHFFFAOYSA-N 1 2 267.398 2.113 20 30 CEEDLO C=CCCSCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000597976604 346261711 /nfs/dbraw/zinc/26/17/11/346261711.db2.gz YAQPWDPPSUXGOP-UHFFFAOYSA-N 1 2 293.436 2.187 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N([C@@H](C)C#N)C1CC1 ZINC000598133043 346296761 /nfs/dbraw/zinc/29/67/61/346296761.db2.gz UOFDHWPWPSDYGO-NSHDSACASA-N 1 2 282.347 2.248 20 30 CEEDLO C[C@H](NC(=O)C1(C#N)CCCCC1)c1[nH+]ccn1C ZINC000598460133 346360313 /nfs/dbraw/zinc/36/03/13/346360313.db2.gz QMOIGVXEUWIYPC-NSHDSACASA-N 1 2 260.341 2.071 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000598591692 346379663 /nfs/dbraw/zinc/37/96/63/346379663.db2.gz AAJGUMVGEFUYTN-KBPBESRZSA-N 1 2 294.420 2.422 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000598591692 346379665 /nfs/dbraw/zinc/37/96/65/346379665.db2.gz AAJGUMVGEFUYTN-KBPBESRZSA-N 1 2 294.420 2.422 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000598622640 346386684 /nfs/dbraw/zinc/38/66/84/346386684.db2.gz KWCYLNZUYBBVHU-AWEZNQCLSA-N 1 2 269.348 2.175 20 30 CEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000598622640 346386688 /nfs/dbraw/zinc/38/66/88/346386688.db2.gz KWCYLNZUYBBVHU-AWEZNQCLSA-N 1 2 269.348 2.175 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)C[C@H](C)C#N)n2c1CCCC2 ZINC000598679186 346399431 /nfs/dbraw/zinc/39/94/31/346399431.db2.gz QLBPDMWBQDGWLD-GFCCVEGCSA-N 1 2 289.379 2.202 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)C[C@H](C)C#N)n2c1CCCC2 ZINC000598679186 346399434 /nfs/dbraw/zinc/39/94/34/346399434.db2.gz QLBPDMWBQDGWLD-GFCCVEGCSA-N 1 2 289.379 2.202 20 30 CEEDLO COc1ccc(F)c(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000598729477 346410936 /nfs/dbraw/zinc/41/09/36/346410936.db2.gz KCCNWKSHSBGUOC-LLVKDONJSA-N 1 2 261.300 2.367 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)cc1C#N ZINC000599382923 346510715 /nfs/dbraw/zinc/51/07/15/346510715.db2.gz VXWKBOXYKPPEAY-MRXNPFEDSA-N 1 2 285.391 2.213 20 30 CEEDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)cc1C#N ZINC000599382923 346510718 /nfs/dbraw/zinc/51/07/18/346510718.db2.gz VXWKBOXYKPPEAY-MRXNPFEDSA-N 1 2 285.391 2.213 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000599415617 346515503 /nfs/dbraw/zinc/51/55/03/346515503.db2.gz PSNRCLWRJDBAQX-IAGOWNOFSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000599415617 346515505 /nfs/dbraw/zinc/51/55/05/346515505.db2.gz PSNRCLWRJDBAQX-IAGOWNOFSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1C#N ZINC000599296913 346493081 /nfs/dbraw/zinc/49/30/81/346493081.db2.gz KGHLQLLHHUQRHV-JMERFSKESA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1C#N ZINC000599296913 346493082 /nfs/dbraw/zinc/49/30/82/346493082.db2.gz KGHLQLLHHUQRHV-JMERFSKESA-N 1 2 276.405 2.208 20 30 CEEDLO COCCc1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000602609003 347100160 /nfs/dbraw/zinc/10/01/60/347100160.db2.gz OYOOYKVQBWRUKK-CQSZACIVSA-N 1 2 279.409 2.458 20 30 CEEDLO COCCc1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000602609003 347100163 /nfs/dbraw/zinc/10/01/63/347100163.db2.gz OYOOYKVQBWRUKK-CQSZACIVSA-N 1 2 279.409 2.458 20 30 CEEDLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484584 295754558 /nfs/dbraw/zinc/75/45/58/295754558.db2.gz RDSLHUAESHTROA-MCIONIFRSA-N 1 2 295.402 2.207 20 30 CEEDLO Cc1cccn2cc(CNC(=O)C3(C#N)CC4(CC4)C3)[nH+]c12 ZINC000601126479 346761588 /nfs/dbraw/zinc/76/15/88/346761588.db2.gz REOAVVIVKHWIOD-UHFFFAOYSA-N 1 2 294.358 2.343 20 30 CEEDLO Cc1cc(C#N)cc(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000601126594 346761778 /nfs/dbraw/zinc/76/17/78/346761778.db2.gz VKVHSLDGEJCYLD-UHFFFAOYSA-N 1 2 267.336 2.369 20 30 CEEDLO Cc1cc(C#N)cc(N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000601126594 346761779 /nfs/dbraw/zinc/76/17/79/346761779.db2.gz VKVHSLDGEJCYLD-UHFFFAOYSA-N 1 2 267.336 2.369 20 30 CEEDLO COCCc1ncc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000601066480 346743062 /nfs/dbraw/zinc/74/30/62/346743062.db2.gz JVTPUDFEYQKOMW-UHFFFAOYSA-N 1 2 288.376 2.405 20 30 CEEDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C[C@H](C)CCC#N ZINC000602636567 347117077 /nfs/dbraw/zinc/11/70/77/347117077.db2.gz JNHZOEVNBQQGHB-HIFRSBDPSA-N 1 2 289.379 2.085 20 30 CEEDLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C)CCC#N ZINC000602636564 347117356 /nfs/dbraw/zinc/11/73/56/347117356.db2.gz JNHZOEVNBQQGHB-DZGCQCFKSA-N 1 2 289.379 2.085 20 30 CEEDLO CC(C)(C)[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602643914 347120269 /nfs/dbraw/zinc/12/02/69/347120269.db2.gz OSYUVFWLPPMAJW-CQSZACIVSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602643914 347120272 /nfs/dbraw/zinc/12/02/72/347120272.db2.gz OSYUVFWLPPMAJW-CQSZACIVSA-N 1 2 259.353 2.200 20 30 CEEDLO CCO[C@@H](C)c1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602783206 347196174 /nfs/dbraw/zinc/19/61/74/347196174.db2.gz NOPNCHWPWATEBK-NSHDSACASA-N 1 2 278.356 2.293 20 30 CEEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602783206 347196178 /nfs/dbraw/zinc/19/61/78/347196178.db2.gz NOPNCHWPWATEBK-NSHDSACASA-N 1 2 278.356 2.293 20 30 CEEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602860207 347228072 /nfs/dbraw/zinc/22/80/72/347228072.db2.gz BVVVTBCMHFVFTK-KGLIPLIRSA-N 1 2 273.380 2.234 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000602860983 347228828 /nfs/dbraw/zinc/22/88/28/347228828.db2.gz FBEGGJALTZTLJA-FDYHWXHSSA-N 1 2 251.374 2.056 20 30 CEEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602863759 347229725 /nfs/dbraw/zinc/22/97/25/347229725.db2.gz PNHDDZCKDIKLTN-QWRGUYRKSA-N 1 2 263.316 2.353 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)cc1F ZINC000602862927 347230335 /nfs/dbraw/zinc/23/03/35/347230335.db2.gz MYKPSBANJLLZMS-GHMZBOCLSA-N 1 2 263.316 2.353 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000602891565 347240255 /nfs/dbraw/zinc/24/02/55/347240255.db2.gz ITJCPSQWSLIBKE-RISCZKNCSA-N 1 2 297.362 2.294 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974076 347260523 /nfs/dbraw/zinc/26/05/23/347260523.db2.gz JSYMZTVTEINKLE-LJISPDSOSA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974076 347260525 /nfs/dbraw/zinc/26/05/25/347260525.db2.gz JSYMZTVTEINKLE-LJISPDSOSA-N 1 2 277.412 2.400 20 30 CEEDLO C=CCOc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000603813685 347388226 /nfs/dbraw/zinc/38/82/26/347388226.db2.gz ZRNMFSVQXPQBPC-UHFFFAOYSA-N 1 2 283.331 2.145 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609486539 347640147 /nfs/dbraw/zinc/64/01/47/347640147.db2.gz MBONCMSCJSEAMB-QGZVFWFLSA-N 1 2 282.391 2.224 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000609486498 347640294 /nfs/dbraw/zinc/64/02/94/347640294.db2.gz LJFVMRFXPBSSPC-INIZCTEOSA-N 1 2 275.371 2.491 20 30 CEEDLO N#Cc1ccccc1OCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618914 347646725 /nfs/dbraw/zinc/64/67/25/347646725.db2.gz CUIMFNUQPYQASX-UHFFFAOYSA-N 1 2 292.298 2.223 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000609626177 347647560 /nfs/dbraw/zinc/64/75/60/347647560.db2.gz CNDOVIDSFHWTCF-TZMCWYRMSA-N 1 2 257.337 2.074 20 30 CEEDLO N#CCC[N@H+](CC1CC1)C[C@@H]1COc2ccccc2O1 ZINC000610511692 347687173 /nfs/dbraw/zinc/68/71/73/347687173.db2.gz HAARDERAZWSYGP-CQSZACIVSA-N 1 2 272.348 2.452 20 30 CEEDLO N#CCC[N@@H+](CC1CC1)C[C@@H]1COc2ccccc2O1 ZINC000610511692 347687176 /nfs/dbraw/zinc/68/71/76/347687176.db2.gz HAARDERAZWSYGP-CQSZACIVSA-N 1 2 272.348 2.452 20 30 CEEDLO N#CC1(C[NH+]2CCN(c3ncnc4sccc43)CC2)CC1 ZINC000611430576 347778759 /nfs/dbraw/zinc/77/87/59/347778759.db2.gz IPACJLINOOBOSV-UHFFFAOYSA-N 1 2 299.403 2.117 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000610917452 347722085 /nfs/dbraw/zinc/72/20/85/347722085.db2.gz OCCRKKXYXLRDDM-SECBINFHSA-N 1 2 251.717 2.170 20 30 CEEDLO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1F ZINC000611502343 347785911 /nfs/dbraw/zinc/78/59/11/347785911.db2.gz RLXJPTAQXGQRTG-STQMWFEESA-N 1 2 281.375 2.009 20 30 CEEDLO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1F ZINC000611502343 347785913 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COc1cc(C[N@@H+](C)Cc2nc(C#N)cs2)ccc1O ZINC000356068833 394544115 /nfs/dbraw/zinc/54/41/15/394544115.db2.gz UNYATLKGLBAACT-UHFFFAOYSA-N 1 2 289.360 2.361 20 30 CEEDLO N#Cc1csc(C[NH+]2CCC(OCC3CC3)CC2)n1 ZINC000356133432 394547028 /nfs/dbraw/zinc/54/70/28/394547028.db2.gz XLFHNVDRXJGBPR-UHFFFAOYSA-N 1 2 277.393 2.406 20 30 CEEDLO CC1(CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328603190 394554104 /nfs/dbraw/zinc/55/41/04/394554104.db2.gz HOEAPJHOKBXKCL-LLVKDONJSA-N 1 2 262.357 2.064 20 30 CEEDLO Cc1nsc(C)c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328913754 394555868 /nfs/dbraw/zinc/55/58/68/394555868.db2.gz IJSKSPWUCRWFJB-SECBINFHSA-N 1 2 276.365 2.345 20 30 CEEDLO Cc1nsc(C)c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328913754 394555872 /nfs/dbraw/zinc/55/58/72/394555872.db2.gz IJSKSPWUCRWFJB-SECBINFHSA-N 1 2 276.365 2.345 20 30 CEEDLO Cc1ncc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)s1 ZINC000266225303 394661893 /nfs/dbraw/zinc/66/18/93/394661893.db2.gz SLSXFQUYDBILET-SECBINFHSA-N 1 2 271.386 2.301 20 30 CEEDLO C#CC[NH+](CC#C)Cc1cccc(OC)c1OC(F)F ZINC000093461458 394666298 /nfs/dbraw/zinc/66/62/98/394666298.db2.gz XKMPXHLWXVJGAK-UHFFFAOYSA-N 1 2 279.286 2.365 20 30 CEEDLO CC[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330296977 394600660 /nfs/dbraw/zinc/60/06/60/394600660.db2.gz KNXLQNSZEJMSQU-CHWSQXEVSA-N 1 2 276.384 2.376 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330296977 394600663 /nfs/dbraw/zinc/60/06/63/394600663.db2.gz KNXLQNSZEJMSQU-CHWSQXEVSA-N 1 2 276.384 2.376 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(C)CC1 ZINC000270354379 394731771 /nfs/dbraw/zinc/73/17/71/394731771.db2.gz QLFQQGMERHABLZ-OAHLLOKOSA-N 1 2 270.332 2.424 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(C)CC1 ZINC000270354379 394731773 /nfs/dbraw/zinc/73/17/73/394731773.db2.gz QLFQQGMERHABLZ-OAHLLOKOSA-N 1 2 270.332 2.424 20 30 CEEDLO C=CCOc1ccc(CNC(=O)c2c[nH+]c(C)[nH]2)cc1 ZINC000359100535 394740851 /nfs/dbraw/zinc/74/08/51/394740851.db2.gz 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/nfs/dbraw/zinc/79/39/95/394793995.db2.gz HASFGMQFWXQCMN-XNTDXEJSSA-N 1 2 265.309 2.163 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)OC ZINC000361113775 394816493 /nfs/dbraw/zinc/81/64/93/394816493.db2.gz NVFIYJKJKHHMKT-FQUUOJAGSA-N 1 2 269.385 2.145 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC(C)(C)OC1=O ZINC000123720955 394831295 /nfs/dbraw/zinc/83/12/95/394831295.db2.gz QWGVOBRWFZHOJU-UHFFFAOYSA-N 1 2 273.336 2.178 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC(C)(C)OC1=O ZINC000123720955 394831298 /nfs/dbraw/zinc/83/12/98/394831298.db2.gz QWGVOBRWFZHOJU-UHFFFAOYSA-N 1 2 273.336 2.178 20 30 CEEDLO CCC[N@H+](CC1(C#N)CC1)[C@@H](CC)C(=O)OCC ZINC000361988667 394840659 /nfs/dbraw/zinc/84/06/59/394840659.db2.gz VZOBQHYLJPRELN-LBPRGKRZSA-N 1 2 252.358 2.344 20 30 CEEDLO CCC[N@@H+](CC1(C#N)CC1)[C@@H](CC)C(=O)OCC ZINC000361988667 394840664 /nfs/dbraw/zinc/84/06/64/394840664.db2.gz VZOBQHYLJPRELN-LBPRGKRZSA-N 1 2 252.358 2.344 20 30 CEEDLO C=CCOCC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000362038671 394842117 /nfs/dbraw/zinc/84/21/17/394842117.db2.gz QKRACKALUMUXSC-UHFFFAOYSA-N 1 2 299.374 2.092 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000362172752 394847998 /nfs/dbraw/zinc/84/79/98/394847998.db2.gz GWIBSVADWOBRMS-CYBMUJFWSA-N 1 2 265.401 2.402 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000362172752 394848002 /nfs/dbraw/zinc/84/80/02/394848002.db2.gz GWIBSVADWOBRMS-CYBMUJFWSA-N 1 2 265.401 2.402 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(F)ccc(F)c3C2)C1=O ZINC000282106696 394909645 /nfs/dbraw/zinc/90/96/45/394909645.db2.gz WNOLODYCVCWLPS-OAHLLOKOSA-N 1 2 292.329 2.110 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(F)ccc(F)c3C2)C1=O ZINC000282106696 394909648 /nfs/dbraw/zinc/90/96/48/394909648.db2.gz WNOLODYCVCWLPS-OAHLLOKOSA-N 1 2 292.329 2.110 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000282106794 394909959 /nfs/dbraw/zinc/90/99/59/394909959.db2.gz WPJIFRPCZXVBFK-KRWDZBQOSA-N 1 2 295.386 2.313 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1=O ZINC000282106794 394909960 /nfs/dbraw/zinc/90/99/60/394909960.db2.gz WPJIFRPCZXVBFK-KRWDZBQOSA-N 1 2 295.386 2.313 20 30 CEEDLO C[C@H](C#N)CN(Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000338377404 394917583 /nfs/dbraw/zinc/91/75/83/394917583.db2.gz INOXOAZBYAWPKM-GFCCVEGCSA-N 1 2 254.337 2.458 20 30 CEEDLO CNC(=O)c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338361703 394917800 /nfs/dbraw/zinc/91/78/00/394917800.db2.gz SIVQIOYFVXRATP-LBPRGKRZSA-N 1 2 271.364 2.170 20 30 CEEDLO CNC(=O)c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338361703 394917806 /nfs/dbraw/zinc/91/78/06/394917806.db2.gz SIVQIOYFVXRATP-LBPRGKRZSA-N 1 2 271.364 2.170 20 30 CEEDLO C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000153437802 395007115 /nfs/dbraw/zinc/00/71/15/395007115.db2.gz ZQBCKQULKVGFON-AWEZNQCLSA-N 1 2 296.374 2.140 20 30 CEEDLO CCOC(=O)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135151619 394963383 /nfs/dbraw/zinc/96/33/83/394963383.db2.gz JNUAOULQBIIVAP-UHFFFAOYSA-N 1 2 274.364 2.483 20 30 CEEDLO CCOC(=O)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135151619 394963388 /nfs/dbraw/zinc/96/33/88/394963388.db2.gz JNUAOULQBIIVAP-UHFFFAOYSA-N 1 2 274.364 2.483 20 30 CEEDLO Cc1cc(NC[C@H](O)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425218882 395052502 /nfs/dbraw/zinc/05/25/02/395052502.db2.gz AFIWBYXMXXVVSA-HNNXBMFYSA-N 1 2 259.353 2.037 20 30 CEEDLO Cc1cc(NCCCC2CCOCC2)c(C#N)c[nH+]1 ZINC000425268414 395055563 /nfs/dbraw/zinc/05/55/63/395055563.db2.gz OQSXCJNTLMMWOT-UHFFFAOYSA-N 1 2 259.353 2.302 20 30 CEEDLO N#CCN(C(=O)c1ccc2[nH+]ccn2c1)C1CCCC1 ZINC000172455226 395102750 /nfs/dbraw/zinc/10/27/50/395102750.db2.gz SNOVNCTYDASAFX-UHFFFAOYSA-N 1 2 268.320 2.243 20 30 CEEDLO C=CCNC(=O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000346260526 395092674 /nfs/dbraw/zinc/09/26/74/395092674.db2.gz MIDFHLIYVNGUJW-UHFFFAOYSA-N 1 2 259.284 2.088 20 30 CEEDLO C#Cc1ccccc1CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000290299651 395098193 /nfs/dbraw/zinc/09/81/93/395098193.db2.gz DYFBFKGVCVTPOY-UHFFFAOYSA-N 1 2 293.370 2.271 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000376510068 395123492 /nfs/dbraw/zinc/12/34/92/395123492.db2.gz BPXIYNVYHYZWAZ-CVEARBPZSA-N 1 2 284.363 2.116 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000376510068 395123495 /nfs/dbraw/zinc/12/34/95/395123495.db2.gz BPXIYNVYHYZWAZ-CVEARBPZSA-N 1 2 284.363 2.116 20 30 CEEDLO N#CCCCC[S@@](=O)Cc1cn2ccccc2[nH+]1 ZINC000176544359 395139516 /nfs/dbraw/zinc/13/95/16/395139516.db2.gz IMBJXCQEKCNKOL-GOSISDBHSA-N 1 2 261.350 2.277 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC1(C#N)CCCCC1 ZINC000349244808 395162444 /nfs/dbraw/zinc/16/24/44/395162444.db2.gz ONLSLLNLRBWRSY-NWDGAFQWSA-N 1 2 290.367 2.056 20 30 CEEDLO CC1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000429598699 395158411 /nfs/dbraw/zinc/15/84/11/395158411.db2.gz QLDNBPKLWNQLNQ-UHFFFAOYSA-N 1 2 297.402 2.393 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000351716673 395230848 /nfs/dbraw/zinc/23/08/48/395230848.db2.gz 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ZINC000293158667 395222394 /nfs/dbraw/zinc/22/23/94/395222394.db2.gz ORQIQALUVYKEFE-UHFFFAOYSA-N 1 2 288.391 2.047 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(OCCC)cc1 ZINC000293158667 395222399 /nfs/dbraw/zinc/22/23/99/395222399.db2.gz ORQIQALUVYKEFE-UHFFFAOYSA-N 1 2 288.391 2.047 20 30 CEEDLO Cc1[nH]ncc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000527812939 395281847 /nfs/dbraw/zinc/28/18/47/395281847.db2.gz UXLMMEHAMAGMLY-UHFFFAOYSA-N 1 2 296.374 2.385 20 30 CEEDLO C/C(Cl)=C\C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000528347972 395289231 /nfs/dbraw/zinc/28/92/31/395289231.db2.gz BILPKZNECYXPBB-KGVSQERTSA-N 1 2 276.771 2.218 20 30 CEEDLO C=C(C)CN(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000353292530 395293138 /nfs/dbraw/zinc/29/31/38/395293138.db2.gz KHMGZQRLCFJHLN-UHFFFAOYSA-N 1 2 272.352 2.360 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000411316981 395327032 /nfs/dbraw/zinc/32/70/32/395327032.db2.gz NJWUYTKTEWJLSH-QWHCGFSZSA-N 1 2 294.420 2.382 20 30 CEEDLO CSc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000411316981 395327034 /nfs/dbraw/zinc/32/70/34/395327034.db2.gz NJWUYTKTEWJLSH-QWHCGFSZSA-N 1 2 294.420 2.382 20 30 CEEDLO CCC[C@@H](C#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410832865 395312134 /nfs/dbraw/zinc/31/21/34/395312134.db2.gz FDJRRWXETORVQT-LBPRGKRZSA-N 1 2 287.354 2.114 20 30 CEEDLO N#CC1(F)CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000352451901 395255449 /nfs/dbraw/zinc/25/54/49/395255449.db2.gz YYJAQIQEAGUQEK-UHFFFAOYSA-N 1 2 295.402 2.401 20 30 CEEDLO CN(Cc1cccs1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352491325 395260330 /nfs/dbraw/zinc/26/03/30/395260330.db2.gz PXVWEBXTBWAEIG-UHFFFAOYSA-N 1 2 295.383 2.034 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000355286479 395398392 /nfs/dbraw/zinc/39/83/92/395398392.db2.gz GABAXJNIZRKMGE-UHFFFAOYSA-N 1 2 262.272 2.458 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000411877315 395340295 /nfs/dbraw/zinc/34/02/95/395340295.db2.gz RYMVOEIVQVJAEG-COPLHBTASA-N 1 2 294.424 2.237 20 30 CEEDLO CC(C)[C@H]1C[N@H+](Cc2nc(C#N)cs2)CCCO1 ZINC000354791404 395341488 /nfs/dbraw/zinc/34/14/88/395341488.db2.gz OWHZRARHZWDQFB-GFCCVEGCSA-N 1 2 265.382 2.262 20 30 CEEDLO CC(C)[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CCCO1 ZINC000354791404 395341492 /nfs/dbraw/zinc/34/14/92/395341492.db2.gz OWHZRARHZWDQFB-GFCCVEGCSA-N 1 2 265.382 2.262 20 30 CEEDLO COc1cc2c(cc1C[N@H+](C)C[C@H](C)C#N)OCO2 ZINC000355383709 395430361 /nfs/dbraw/zinc/43/03/61/395430361.db2.gz MDHGDNMQSITBIL-SNVBAGLBSA-N 1 2 262.309 2.015 20 30 CEEDLO COc1cc2c(cc1C[N@@H+](C)C[C@H](C)C#N)OCO2 ZINC000355383709 395430363 /nfs/dbraw/zinc/43/03/63/395430363.db2.gz MDHGDNMQSITBIL-SNVBAGLBSA-N 1 2 262.309 2.015 20 30 CEEDLO CNc1ccc(C#N)cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000355386348 395431289 /nfs/dbraw/zinc/43/12/89/395431289.db2.gz ALJWHPLVYLQYEI-UHFFFAOYSA-N 1 2 291.314 2.500 20 30 CEEDLO COc1nccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000449238412 395545760 /nfs/dbraw/zinc/54/57/60/395545760.db2.gz GGYDERUHCWKIBL-SNVBAGLBSA-N 1 2 286.310 2.347 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000568607057 395563547 /nfs/dbraw/zinc/56/35/47/395563547.db2.gz IOGCYZFFWDPUKH-CQSZACIVSA-N 1 2 252.402 2.273 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000568607057 395563549 /nfs/dbraw/zinc/56/35/49/395563549.db2.gz IOGCYZFFWDPUKH-CQSZACIVSA-N 1 2 252.402 2.273 20 30 CEEDLO Cc1cccc2c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)coc21 ZINC000568986433 395571926 /nfs/dbraw/zinc/57/19/26/395571926.db2.gz CHCYZLVMUPEXSN-INIZCTEOSA-N 1 2 285.347 2.315 20 30 CEEDLO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]CCC#N)C1=O ZINC000570202208 395581409 /nfs/dbraw/zinc/58/14/09/395581409.db2.gz DLOKKKOUBCTIDW-DOMZBBRYSA-N 1 2 289.354 2.381 20 30 CEEDLO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]CCC#N)C1=O ZINC000570202217 395581455 /nfs/dbraw/zinc/58/14/55/395581455.db2.gz DLOKKKOUBCTIDW-WFASDCNBSA-N 1 2 289.354 2.381 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000451106122 395583518 /nfs/dbraw/zinc/58/35/18/395583518.db2.gz UYZZNLAIJHLVGE-LBPRGKRZSA-N 1 2 271.324 2.045 20 30 CEEDLO C[C@H](CC(=O)N(CC#N)C1CCCC1)n1cc[nH+]c1 ZINC000574045079 395625382 /nfs/dbraw/zinc/62/53/82/395625382.db2.gz NHPRRMDQQMPPNN-GFCCVEGCSA-N 1 2 260.341 2.129 20 30 CEEDLO N#Cc1ccccc1OCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333819 395626285 /nfs/dbraw/zinc/62/62/85/395626285.db2.gz KMZUXIYWTDLRKK-UHFFFAOYSA-N 1 2 296.330 2.109 20 30 CEEDLO Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ncc1C#N ZINC000457516765 395636269 /nfs/dbraw/zinc/63/62/69/395636269.db2.gz PXWBGTRJPYXMSZ-AWEZNQCLSA-N 1 2 295.346 2.352 20 30 CEEDLO Cc1nc(NCc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC000488122520 395668082 /nfs/dbraw/zinc/66/80/82/395668082.db2.gz GWIJUWLAKZPSCO-UHFFFAOYSA-N 1 2 289.342 2.481 20 30 CEEDLO C#CC[N@H+](Cc1ncc(C#N)cn1)C1CCCCC1 ZINC000491718759 395670505 /nfs/dbraw/zinc/67/05/05/395670505.db2.gz WCPBQXKYDNYSSU-UHFFFAOYSA-N 1 2 254.337 2.116 20 30 CEEDLO C#CC[N@@H+](Cc1ncc(C#N)cn1)C1CCCCC1 ZINC000491718759 395670506 /nfs/dbraw/zinc/67/05/06/395670506.db2.gz WCPBQXKYDNYSSU-UHFFFAOYSA-N 1 2 254.337 2.116 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000649281322 396111616 /nfs/dbraw/zinc/11/16/16/396111616.db2.gz IUEVOWMOSOGIFF-CABCVRRESA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000649281322 396111619 /nfs/dbraw/zinc/11/16/19/396111619.db2.gz IUEVOWMOSOGIFF-CABCVRRESA-N 1 2 265.328 2.136 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000649325612 396121522 /nfs/dbraw/zinc/12/15/22/396121522.db2.gz AUOWFSRRMNNYOM-MRXNPFEDSA-N 1 2 285.391 2.300 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000649325612 396121525 /nfs/dbraw/zinc/12/15/25/396121525.db2.gz AUOWFSRRMNNYOM-MRXNPFEDSA-N 1 2 285.391 2.300 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000491682364 400594441 /nfs/dbraw/zinc/59/44/41/400594441.db2.gz RRKVRUHGCFLVBV-JTQLQIEISA-N 1 2 259.284 2.329 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000491682364 400594444 /nfs/dbraw/zinc/59/44/44/400594444.db2.gz RRKVRUHGCFLVBV-JTQLQIEISA-N 1 2 259.284 2.329 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000491710827 400595357 /nfs/dbraw/zinc/59/53/57/400595357.db2.gz TWNWIISPGJCUKZ-SNVBAGLBSA-N 1 2 295.180 2.341 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000491710827 400595364 /nfs/dbraw/zinc/59/53/64/400595364.db2.gz TWNWIISPGJCUKZ-SNVBAGLBSA-N 1 2 295.180 2.341 20 30 CEEDLO C=CCCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651360043 401320424 /nfs/dbraw/zinc/32/04/24/401320424.db2.gz OQZFSVOKYYYHDF-UHFFFAOYSA-N 1 2 261.369 2.187 20 30 CEEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000190104760 153118708 /nfs/dbraw/zinc/11/87/08/153118708.db2.gz VIYVTJKEFBJYKG-HUUCEWRRSA-N 1 2 298.346 2.212 20 30 CEEDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000190104760 153118716 /nfs/dbraw/zinc/11/87/16/153118716.db2.gz VIYVTJKEFBJYKG-HUUCEWRRSA-N 1 2 298.346 2.212 20 30 CEEDLO Cc1nn(Cc2c[nH+]cn2Cc2ccccc2)cc1C#N ZINC000359364202 154990015 /nfs/dbraw/zinc/99/00/15/154990015.db2.gz DDIBCSFYBIYTHL-UHFFFAOYSA-N 1 2 277.331 2.356 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C#N)ccn1)CCC2 ZINC000376399923 157218040 /nfs/dbraw/zinc/21/80/40/157218040.db2.gz ZVXRMPDMGUVLMO-CYBMUJFWSA-N 1 2 267.336 2.448 20 30 CEEDLO C[C@@H]1CCN(c2cc(C#N)ccn2)C[C@H]1n1cc[nH+]c1 ZINC000376397046 157218668 /nfs/dbraw/zinc/21/86/68/157218668.db2.gz QLJYVRQTGGZOAE-TZMCWYRMSA-N 1 2 267.336 2.237 20 30 CEEDLO CC[C@@H]1CC[C@H](C)N1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329598183 287110924 /nfs/dbraw/zinc/11/09/24/287110924.db2.gz DAELIOKUXHCCHU-QJPTWQEYSA-N 1 2 276.384 2.444 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](CC)CN1C(C)=O ZINC000354118314 287200892 /nfs/dbraw/zinc/20/08/92/287200892.db2.gz VOSWSTVRDYYGOB-UONOGXRCSA-N 1 2 289.379 2.373 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](CC)CN1C(C)=O ZINC000354118314 287200896 /nfs/dbraw/zinc/20/08/96/287200896.db2.gz VOSWSTVRDYYGOB-UONOGXRCSA-N 1 2 289.379 2.373 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H]2CCc3ccc(O)cc32)nn1 ZINC000657693831 415049737 /nfs/dbraw/zinc/04/97/37/415049737.db2.gz SJUVFAOZOPOCDU-INIZCTEOSA-N 1 2 284.363 2.337 20 30 CEEDLO C=CCCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661092348 415091592 /nfs/dbraw/zinc/09/15/92/415091592.db2.gz UTXRTYQXWFVQCG-UHFFFAOYSA-N 1 2 288.395 2.447 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)nn1 ZINC000653593182 415045173 /nfs/dbraw/zinc/04/51/73/415045173.db2.gz MOGLIEBBWIXQLQ-ZDUSSCGKSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccccn2)nn1 ZINC000653593182 415045179 /nfs/dbraw/zinc/04/51/79/415045179.db2.gz MOGLIEBBWIXQLQ-ZDUSSCGKSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H](C)COC ZINC000661240643 415150862 /nfs/dbraw/zinc/15/08/62/415150862.db2.gz PNIPQMZSVVHHJE-ZDUSSCGKSA-N 1 2 264.369 2.422 20 30 CEEDLO C=CC[N@H+](Cc1csc(COC)n1)[C@H](C)COC ZINC000661244875 415154028 /nfs/dbraw/zinc/15/40/28/415154028.db2.gz ZJJJTYVDJAAVJO-LLVKDONJSA-N 1 2 270.398 2.312 20 30 CEEDLO C=CC[N@@H+](Cc1csc(COC)n1)[C@H](C)COC ZINC000661244875 415154037 /nfs/dbraw/zinc/15/40/37/415154037.db2.gz ZJJJTYVDJAAVJO-LLVKDONJSA-N 1 2 270.398 2.312 20 30 CEEDLO C=CC[N@H+](Cc1ccn(C(C)C)n1)[C@H](C)COC ZINC000661244867 415155474 /nfs/dbraw/zinc/15/54/74/415155474.db2.gz YZBHWCVYXKPJCK-CYBMUJFWSA-N 1 2 251.374 2.487 20 30 CEEDLO C=CC[N@@H+](Cc1ccn(C(C)C)n1)[C@H](C)COC ZINC000661244867 415155475 /nfs/dbraw/zinc/15/54/75/415155475.db2.gz YZBHWCVYXKPJCK-CYBMUJFWSA-N 1 2 251.374 2.487 20 30 CEEDLO C=CCC1(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000664713923 415457424 /nfs/dbraw/zinc/45/74/24/415457424.db2.gz BMYWMMYEFYBLJU-CYBMUJFWSA-N 1 2 288.395 2.386 20 30 CEEDLO N#Cc1csc(C[NH+]2CCC3(CCCC3=O)CC2)n1 ZINC000661962353 415543959 /nfs/dbraw/zinc/54/39/59/415543959.db2.gz UFPUSTJJPQAGDF-UHFFFAOYSA-N 1 2 275.377 2.350 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664986942 415547452 /nfs/dbraw/zinc/54/74/52/415547452.db2.gz XFFHLXXBSAWPFA-OLZOCXBDSA-N 1 2 271.320 2.422 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc[nH+]c(C)c1OC ZINC000656182751 415621182 /nfs/dbraw/zinc/62/11/82/415621182.db2.gz MQUMKPMMGHVXMJ-NEPJUHHUSA-N 1 2 263.341 2.187 20 30 CEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000656538302 415749164 /nfs/dbraw/zinc/74/91/64/415749164.db2.gz UZAKACJGOVDCRZ-UONOGXRCSA-N 1 2 276.384 2.317 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000077250762 177239743 /nfs/dbraw/zinc/23/97/43/177239743.db2.gz JBCQWNMWUKAMJV-OLZOCXBDSA-N 1 2 290.363 2.055 20 30 CEEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000077250762 177239745 /nfs/dbraw/zinc/23/97/45/177239745.db2.gz JBCQWNMWUKAMJV-OLZOCXBDSA-N 1 2 290.363 2.055 20 30 CEEDLO N#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(F)cc1 ZINC000344769665 225160886 /nfs/dbraw/zinc/16/08/86/225160886.db2.gz HKCDYXXMDRVDAU-CQSZACIVSA-N 1 2 294.289 2.468 20 30 CEEDLO C[C@H](C[C@H]1CCCO1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000329254083 227383802 /nfs/dbraw/zinc/38/38/02/227383802.db2.gz WQWXCCNHLGNCES-ZYHUDNBSSA-N 1 2 251.330 2.256 20 30 CEEDLO C[C@H](C[C@H]1CCCO1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000329254083 227383809 /nfs/dbraw/zinc/38/38/09/227383809.db2.gz WQWXCCNHLGNCES-ZYHUDNBSSA-N 1 2 251.330 2.256 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C#N)C1CC1 ZINC000171725132 335075920 /nfs/dbraw/zinc/07/59/20/335075920.db2.gz LLXWGUOQYHDMGQ-ZDUSSCGKSA-N 1 2 282.347 2.017 20 30 CEEDLO Cc1n[nH]c(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000329086854 227288343 /nfs/dbraw/zinc/28/83/43/227288343.db2.gz HBDDMHTYNOGEJH-CYBMUJFWSA-N 1 2 291.399 2.019 20 30 CEEDLO Cc1n[nH]c(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000329086854 227288347 /nfs/dbraw/zinc/28/83/47/227288347.db2.gz HBDDMHTYNOGEJH-CYBMUJFWSA-N 1 2 291.399 2.019 20 30 CEEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331638005 228115996 /nfs/dbraw/zinc/11/59/96/228115996.db2.gz JPGQEFLFEOWIPM-VHDGCEQUSA-N 1 2 283.375 2.246 20 30 CEEDLO N#C[C@@]1(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC12CCCC2 ZINC000333563951 228204936 /nfs/dbraw/zinc/20/49/36/228204936.db2.gz OMOPWIVVVGRYDE-CXAGYDPISA-N 1 2 298.390 2.351 20 30 CEEDLO C#CCCOc1ccc(C[NH+]2CC(OCC)C2)cc1 ZINC000297435349 260126500 /nfs/dbraw/zinc/12/65/00/260126500.db2.gz NPQDFYWAJPWNEZ-UHFFFAOYSA-N 1 2 259.349 2.309 20 30 CEEDLO C#C[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)C ZINC000297973972 260139833 /nfs/dbraw/zinc/13/98/33/260139833.db2.gz MCQJTGSLVMHHHQ-OLZOCXBDSA-N 1 2 274.368 2.304 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC1CC1 ZINC000298316792 260150059 /nfs/dbraw/zinc/15/00/59/260150059.db2.gz YXJSEDUERSDXTL-LBPRGKRZSA-N 1 2 276.355 2.481 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC1CC1 ZINC000298316792 260150060 /nfs/dbraw/zinc/15/00/60/260150060.db2.gz YXJSEDUERSDXTL-LBPRGKRZSA-N 1 2 276.355 2.481 20 30 CEEDLO Cc1ccsc1CNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514642 260333834 /nfs/dbraw/zinc/33/38/34/260333834.db2.gz BFILHKJZKUEGPL-UHFFFAOYSA-N 1 2 291.420 2.298 20 30 CEEDLO Cc1ccsc1CNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514642 260333835 /nfs/dbraw/zinc/33/38/35/260333835.db2.gz BFILHKJZKUEGPL-UHFFFAOYSA-N 1 2 291.420 2.298 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC000248877402 261207458 /nfs/dbraw/zinc/20/74/58/261207458.db2.gz OFTSIHFATOFJFF-SQNIBIBYSA-N 1 2 285.387 2.306 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC#Cc3ccccc3)[C@H]2C1 ZINC000248877402 261207459 /nfs/dbraw/zinc/20/74/59/261207459.db2.gz OFTSIHFATOFJFF-SQNIBIBYSA-N 1 2 285.387 2.306 20 30 CEEDLO C#CC[N@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000490851023 261226222 /nfs/dbraw/zinc/22/62/22/261226222.db2.gz DYXMVTCPOGOGNH-ZDUSSCGKSA-N 1 2 258.365 2.121 20 30 CEEDLO C#CC[N@@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000490851023 261226223 /nfs/dbraw/zinc/22/62/23/261226223.db2.gz DYXMVTCPOGOGNH-ZDUSSCGKSA-N 1 2 258.365 2.121 20 30 CEEDLO C=C(Br)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302916349 261355901 /nfs/dbraw/zinc/35/59/01/261355901.db2.gz WFJJTUORHUZWLU-UHFFFAOYSA-N 1 2 283.173 2.397 20 30 CEEDLO C=C(Br)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302916349 261355903 /nfs/dbraw/zinc/35/59/03/261355903.db2.gz WFJJTUORHUZWLU-UHFFFAOYSA-N 1 2 283.173 2.397 20 30 CEEDLO C[C@H]1C[C@@H](C=[NH+]n2ccnn2)CCN1C(=O)OC(C)(C)C ZINC000497256784 262125878 /nfs/dbraw/zinc/12/58/78/262125878.db2.gz IRSYTPQGIDDWNZ-RYUDHWBXSA-N 1 2 293.371 2.148 20 30 CEEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCSCC#N ZINC000162447309 262330397 /nfs/dbraw/zinc/33/03/97/262330397.db2.gz QCASYPZWDSFQKK-CQSZACIVSA-N 1 2 279.409 2.045 20 30 CEEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCCSCC#N ZINC000162447309 262330398 /nfs/dbraw/zinc/33/03/98/262330398.db2.gz QCASYPZWDSFQKK-CQSZACIVSA-N 1 2 279.409 2.045 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336826121 262398001 /nfs/dbraw/zinc/39/80/01/262398001.db2.gz HZHZZMOKXGKBLA-QWRGUYRKSA-N 1 2 291.317 2.021 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336826121 262398003 /nfs/dbraw/zinc/39/80/03/262398003.db2.gz HZHZZMOKXGKBLA-QWRGUYRKSA-N 1 2 291.317 2.021 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000273359936 263016114 /nfs/dbraw/zinc/01/61/14/263016114.db2.gz CVJQVWJARGODAL-UONOGXRCSA-N 1 2 294.399 2.359 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000273824782 263019478 /nfs/dbraw/zinc/01/94/78/263019478.db2.gz DOFJEIVOJRHGCT-SNVBAGLBSA-N 1 2 263.370 2.190 20 30 CEEDLO Oc1cccc(/C=[NH+]/CCc2cn3c(n2)SCC3)c1O ZINC000274365980 263023605 /nfs/dbraw/zinc/02/36/05/263023605.db2.gz YLZSPDNEWZPLIW-OVCLIPMQSA-N 1 2 289.360 2.062 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278571847 263049080 /nfs/dbraw/zinc/04/90/80/263049080.db2.gz JIWPRGNMMIOEEY-CABCVRRESA-N 1 2 288.395 2.101 20 30 CEEDLO NC(=[NH+]OCc1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000284371006 263086650 /nfs/dbraw/zinc/08/66/50/263086650.db2.gz LMOZHPUZYVJXCW-JTQLQIEISA-N 1 2 272.707 2.447 20 30 CEEDLO C=C(C)COCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340304340 263107547 /nfs/dbraw/zinc/10/75/47/263107547.db2.gz DCMJSUXQPUIZLT-CQSZACIVSA-N 1 2 290.342 2.216 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(OC)c1O ZINC000289157721 263107968 /nfs/dbraw/zinc/10/79/68/263107968.db2.gz QSQNGYZPYMGXCB-JTQLQIEISA-N 1 2 264.325 2.001 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(OC)c1O ZINC000289157721 263107969 /nfs/dbraw/zinc/10/79/69/263107969.db2.gz QSQNGYZPYMGXCB-JTQLQIEISA-N 1 2 264.325 2.001 20 30 CEEDLO Cc1sccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000294873165 263168630 /nfs/dbraw/zinc/16/86/30/263168630.db2.gz KHRDXEONDLYATF-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO CN1C(=O)C[C@@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000298584288 263222625 /nfs/dbraw/zinc/22/26/25/263222625.db2.gz RFIRQHQYDAMNPZ-OCCSQVGLSA-N 1 2 277.755 2.115 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000299153255 263232126 /nfs/dbraw/zinc/23/21/26/263232126.db2.gz GRKRGXNGFSIKRX-JOYOIKCWSA-N 1 2 254.280 2.090 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000299153255 263232127 /nfs/dbraw/zinc/23/21/27/263232127.db2.gz GRKRGXNGFSIKRX-JOYOIKCWSA-N 1 2 254.280 2.090 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000119863736 263278619 /nfs/dbraw/zinc/27/86/19/263278619.db2.gz GQLWFTRSBDUPGP-UHFFFAOYSA-N 1 2 275.396 2.328 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000119863736 263278621 /nfs/dbraw/zinc/27/86/21/263278621.db2.gz GQLWFTRSBDUPGP-UHFFFAOYSA-N 1 2 275.396 2.328 20 30 CEEDLO C=CC[C@@H](CO)CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000340894262 263312807 /nfs/dbraw/zinc/31/28/07/263312807.db2.gz LYZSEYVGFARQAP-CQSZACIVSA-N 1 2 298.390 2.174 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000341921095 263365972 /nfs/dbraw/zinc/36/59/72/263365972.db2.gz SGGKBSDBGVBZHT-JTQLQIEISA-N 1 2 296.358 2.001 20 30 CEEDLO CCc1nc(C[NH+]2CCC(C#N)(COC)CC2)cs1 ZINC000342001239 263375272 /nfs/dbraw/zinc/37/52/72/263375272.db2.gz WEOQKZJRPHDSIF-UHFFFAOYSA-N 1 2 279.409 2.458 20 30 CEEDLO C#C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000874859629 649856872 /nfs/dbraw/zinc/85/68/72/649856872.db2.gz YHWMBKIEGHTIJL-MGPQQGTHSA-N 1 2 259.353 2.142 20 30 CEEDLO C=C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000330716137 264022226 /nfs/dbraw/zinc/02/22/26/264022226.db2.gz YSABPPUZQOEMOP-UHFFFAOYSA-N 1 2 289.335 2.494 20 30 CEEDLO Cc1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330802136 264041925 /nfs/dbraw/zinc/04/19/25/264041925.db2.gz AOAUFFXEUVGYSN-OCCSQVGLSA-N 1 2 257.337 2.215 20 30 CEEDLO CCc1nc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)sc1C ZINC000330850300 264067866 /nfs/dbraw/zinc/06/78/66/264067866.db2.gz QEDPNHAHKZMFLI-PWSUYJOCSA-N 1 2 292.408 2.234 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330851040 264067996 /nfs/dbraw/zinc/06/79/96/264067996.db2.gz QIBJSUBJPVQHIE-JSGCOSHPSA-N 1 2 255.321 2.349 20 30 CEEDLO CC(C)(C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330971530 264092577 /nfs/dbraw/zinc/09/25/77/264092577.db2.gz HBXKROXYBYBXPF-UHFFFAOYSA-N 1 2 278.278 2.248 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H](CO)CCC(C)(C)C)c[nH+]1 ZINC000331070124 264112802 /nfs/dbraw/zinc/11/28/02/264112802.db2.gz IADSLAFXSCQNKZ-SNVBAGLBSA-N 1 2 253.346 2.210 20 30 CEEDLO C#CC(C)(C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000280224185 264448573 /nfs/dbraw/zinc/44/85/73/264448573.db2.gz SADZIQYISOLIBZ-UHFFFAOYSA-N 1 2 291.301 2.151 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000280622001 264456253 /nfs/dbraw/zinc/45/62/53/264456253.db2.gz GWNBRYVFTLKGHM-TZMCWYRMSA-N 1 2 275.352 2.493 20 30 CEEDLO C#CCCN1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000281934404 264500466 /nfs/dbraw/zinc/50/04/66/264500466.db2.gz IHVASAGDNVFGFK-UHFFFAOYSA-N 1 2 279.387 2.376 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000356610292 266148178 /nfs/dbraw/zinc/14/81/78/266148178.db2.gz OODNKLMIDYSMEE-ZDUSSCGKSA-N 1 2 273.380 2.482 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357127315 266252533 /nfs/dbraw/zinc/25/25/33/266252533.db2.gz LXYUZLXLTMIKDJ-RYUDHWBXSA-N 1 2 263.341 2.054 20 30 CEEDLO CCOCCOCC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000190285001 266281614 /nfs/dbraw/zinc/28/16/14/266281614.db2.gz HXXBHDCNKYQUSX-UHFFFAOYSA-N 1 2 280.343 2.182 20 30 CEEDLO CCOCCOCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000190285001 266281619 /nfs/dbraw/zinc/28/16/19/266281619.db2.gz HXXBHDCNKYQUSX-UHFFFAOYSA-N 1 2 280.343 2.182 20 30 CEEDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C#N)c(C)c1 ZINC000488311288 267070675 /nfs/dbraw/zinc/07/06/75/267070675.db2.gz IPMMXERDIPWALW-UHFFFAOYSA-N 1 2 269.352 2.017 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C#N)c(C)c1 ZINC000488311288 267070679 /nfs/dbraw/zinc/07/06/79/267070679.db2.gz IPMMXERDIPWALW-UHFFFAOYSA-N 1 2 269.352 2.017 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368129047 267146389 /nfs/dbraw/zinc/14/63/89/267146389.db2.gz MKLJHZGQFHKBNU-KGLIPLIRSA-N 1 2 286.379 2.106 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368232029 267154162 /nfs/dbraw/zinc/15/41/62/267154162.db2.gz YXTQRTDKBZCWGR-NSHDSACASA-N 1 2 274.368 2.276 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000368232029 267154164 /nfs/dbraw/zinc/15/41/64/267154164.db2.gz YXTQRTDKBZCWGR-NSHDSACASA-N 1 2 274.368 2.276 20 30 CEEDLO CCO[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)C12CCC2 ZINC000425225881 267157183 /nfs/dbraw/zinc/15/71/83/267157183.db2.gz GPPKQGCWFZEXTJ-CABCVRRESA-N 1 2 271.364 2.443 20 30 CEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000284022844 267195667 /nfs/dbraw/zinc/19/56/67/267195667.db2.gz IENSLLIOQZNLQH-GWCFXTLKSA-N 1 2 259.309 2.087 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCc2ccc(C#N)cc21 ZINC000493358050 267256403 /nfs/dbraw/zinc/25/64/03/267256403.db2.gz VDOKYYTWCULTIF-AATRIKPKSA-N 1 2 292.342 2.377 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000492451598 267256460 /nfs/dbraw/zinc/25/64/60/267256460.db2.gz ZKZDRJMKZAAYBG-HJWRWDBZSA-N 1 2 294.358 2.446 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)ncc1C#N ZINC000425266600 267257725 /nfs/dbraw/zinc/25/77/25/267257725.db2.gz IKGQAHJTVCMVGC-NSHDSACASA-N 1 2 255.325 2.073 20 30 CEEDLO CN(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000515495844 267294345 /nfs/dbraw/zinc/29/43/45/267294345.db2.gz JMKWZRKSMVOMBR-UHFFFAOYSA-N 1 2 287.392 2.108 20 30 CEEDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000515495844 267294347 /nfs/dbraw/zinc/29/43/47/267294347.db2.gz JMKWZRKSMVOMBR-UHFFFAOYSA-N 1 2 287.392 2.108 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCC#N)C2 ZINC000370390017 267315714 /nfs/dbraw/zinc/31/57/14/267315714.db2.gz UIMFCVKGEOKAHV-NSHDSACASA-N 1 2 274.368 2.058 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCC#N)CC2 ZINC000370390017 267315715 /nfs/dbraw/zinc/31/57/15/267315715.db2.gz UIMFCVKGEOKAHV-NSHDSACASA-N 1 2 274.368 2.058 20 30 CEEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H](CO)c1ccccc1 ZINC000449451439 267323953 /nfs/dbraw/zinc/32/39/53/267323953.db2.gz IUHOEYPYBZNWKH-ZDUSSCGKSA-N 1 2 273.361 2.180 20 30 CEEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H](CO)c1ccccc1 ZINC000449451439 267323956 /nfs/dbraw/zinc/32/39/56/267323956.db2.gz IUHOEYPYBZNWKH-ZDUSSCGKSA-N 1 2 273.361 2.180 20 30 CEEDLO COCc1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425532747 267517777 /nfs/dbraw/zinc/51/77/77/267517777.db2.gz KBFQMEAEIQJDEE-NSHDSACASA-N 1 2 286.335 2.281 20 30 CEEDLO COCc1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425532747 267517779 /nfs/dbraw/zinc/51/77/79/267517779.db2.gz KBFQMEAEIQJDEE-NSHDSACASA-N 1 2 286.335 2.281 20 30 CEEDLO C=CCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374364772 267784458 /nfs/dbraw/zinc/78/44/58/267784458.db2.gz MNRHCZKUZPDRPT-AWEZNQCLSA-N 1 2 262.328 2.265 20 30 CEEDLO Cc1cc(N(C)CCCNC(=O)C2CCC2)c(C#N)c[nH+]1 ZINC000425255413 268005161 /nfs/dbraw/zinc/00/51/61/268005161.db2.gz GBTGYAFZEVRTRB-UHFFFAOYSA-N 1 2 286.379 2.004 20 30 CEEDLO CCn1ncnc1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000377072111 268045083 /nfs/dbraw/zinc/04/50/83/268045083.db2.gz HTONCJOHAOAZNT-UHFFFAOYSA-N 1 2 281.363 2.012 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)c(C)n1)CCC2 ZINC000488089484 268069581 /nfs/dbraw/zinc/06/95/81/268069581.db2.gz OKYSLIGLHLXQOG-AWEZNQCLSA-N 1 2 281.363 2.178 20 30 CEEDLO Cc1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425537649 268098061 /nfs/dbraw/zinc/09/80/61/268098061.db2.gz QNMZEOAQWBVVLF-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425537649 268098065 /nfs/dbraw/zinc/09/80/65/268098065.db2.gz QNMZEOAQWBVVLF-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000190835027 270270890 /nfs/dbraw/zinc/27/08/90/270270890.db2.gz NBNZXJPXXZMVON-LBPRGKRZSA-N 1 2 272.348 2.474 20 30 CEEDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000190835027 270270891 /nfs/dbraw/zinc/27/08/91/270270891.db2.gz NBNZXJPXXZMVON-LBPRGKRZSA-N 1 2 272.348 2.474 20 30 CEEDLO C[C@H](NCc1c[nH+]c2ccc(C#N)cn12)C(F)(F)F ZINC000425347927 271160357 /nfs/dbraw/zinc/16/03/57/271160357.db2.gz DGVIGAHHFNXGEF-QMMMGPOBSA-N 1 2 268.242 2.246 20 30 CEEDLO C[C@@H]1OCC[C@]1(C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329527125 278063683 /nfs/dbraw/zinc/06/36/83/278063683.db2.gz RVZHHQYGZDLBLU-HZMBPMFUSA-N 1 2 274.324 2.037 20 30 CEEDLO Clc1ccc(C#CC[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185196383 279291757 /nfs/dbraw/zinc/29/17/57/279291757.db2.gz KDZHKLCUGTYDRN-INIZCTEOSA-N 1 2 291.778 2.183 20 30 CEEDLO Clc1ccc(C#CC[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185196383 279291758 /nfs/dbraw/zinc/29/17/58/279291758.db2.gz KDZHKLCUGTYDRN-INIZCTEOSA-N 1 2 291.778 2.183 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000352464876 279477653 /nfs/dbraw/zinc/47/76/53/279477653.db2.gz YKCWEWIWCYCZQL-UHFFFAOYSA-N 1 2 258.300 2.162 20 30 CEEDLO N#Cc1ccc(Br)c(C[N@@H+](CCO)C2CC2)c1 ZINC000191775717 280175224 /nfs/dbraw/zinc/17/52/24/280175224.db2.gz YUKURGOXKVEDHL-UHFFFAOYSA-N 1 2 295.180 2.277 20 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N#Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)nc1 ZINC000571056811 314070885 /nfs/dbraw/zinc/07/08/85/314070885.db2.gz DIWFOYKQCRSJDJ-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)nc1 ZINC000571056811 314070888 /nfs/dbraw/zinc/07/08/88/314070888.db2.gz DIWFOYKQCRSJDJ-CQSZACIVSA-N 1 2 287.754 2.250 20 30 CEEDLO C[C@@H](CC(=O)N(C)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000573925283 314183899 /nfs/dbraw/zinc/18/38/99/314183899.db2.gz UKNIKCDTXNPRSP-LBPRGKRZSA-N 1 2 268.320 2.369 20 30 CEEDLO CO[C@@]1(C)C[C@@H](Nc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000575797299 314221654 /nfs/dbraw/zinc/22/16/54/314221654.db2.gz CDLOOKASOJSINX-HIFRSBDPSA-N 1 2 259.353 2.299 20 30 CEEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000184990713 327835772 /nfs/dbraw/zinc/83/57/72/327835772.db2.gz BKQHIWCAAHXHMA-SMDDNHRTSA-N 1 2 294.424 2.157 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185038070 327836246 /nfs/dbraw/zinc/83/62/46/327836246.db2.gz 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ZINC000339759752 328055054 /nfs/dbraw/zinc/05/50/54/328055054.db2.gz NOHBEPPPXVBSMQ-CYBMUJFWSA-N 1 2 288.416 2.469 20 30 CEEDLO C[C@@H](CC(=O)N[C@H](C#N)C1CCCCC1)n1cc[nH+]c1 ZINC000571170272 328090380 /nfs/dbraw/zinc/09/03/80/328090380.db2.gz YYOMMCYXKXJPBH-GXTWGEPZSA-N 1 2 274.368 2.423 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413430856 328145235 /nfs/dbraw/zinc/14/52/35/328145235.db2.gz HDMBTHZHSFPTEH-CQSZACIVSA-N 1 2 297.443 2.141 20 30 CEEDLO CNC(=O)C1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000273221176 328204741 /nfs/dbraw/zinc/20/47/41/328204741.db2.gz PJFXHGKTZVDALB-LICLKQGHSA-N 1 2 260.337 2.116 20 30 CEEDLO N#CC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000277571140 328221674 /nfs/dbraw/zinc/22/16/74/328221674.db2.gz BLCTYQDCFLOVRJ-UHFFFAOYSA-N 1 2 267.336 2.003 20 30 CEEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(OC)c1O ZINC000289032171 328253946 /nfs/dbraw/zinc/25/39/46/328253946.db2.gz AYZADRFEMKUCSH-JTQLQIEISA-N 1 2 264.325 2.143 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(OC)c1O ZINC000289032171 328253948 /nfs/dbraw/zinc/25/39/48/328253948.db2.gz AYZADRFEMKUCSH-JTQLQIEISA-N 1 2 264.325 2.143 20 30 CEEDLO N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000295649804 328286547 /nfs/dbraw/zinc/28/65/47/328286547.db2.gz ZHKWFSGADRQGNY-JSGCOSHPSA-N 1 2 295.346 2.079 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000580401716 322315040 /nfs/dbraw/zinc/31/50/40/322315040.db2.gz FSKBEIPKUKOIFE-ZDUSSCGKSA-N 1 2 295.346 2.200 20 30 CEEDLO CC(C)[N@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000535072661 328383991 /nfs/dbraw/zinc/38/39/91/328383991.db2.gz FTVVDGDSRQWRIX-UHFFFAOYSA-N 1 2 273.384 2.201 20 30 CEEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(N2CCCC2)nc1 ZINC000535072661 328383992 /nfs/dbraw/zinc/38/39/92/328383992.db2.gz FTVVDGDSRQWRIX-UHFFFAOYSA-N 1 2 273.384 2.201 20 30 CEEDLO Cc1cccn2cc(CC(=O)N[C@@](C)(C#N)C(C)C)[nH+]c12 ZINC000558696189 327114538 /nfs/dbraw/zinc/11/45/38/327114538.db2.gz ITGGRKWTCOTUTB-INIZCTEOSA-N 1 2 284.363 2.240 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000569589581 327201502 /nfs/dbraw/zinc/20/15/02/327201502.db2.gz NSKCQOGLLHTDHK-LBPRGKRZSA-N 1 2 289.404 2.407 20 30 CEEDLO Cc1ccc(C[NH2+]CCC#N)c(O[C@H]2CCOC2)c1 ZINC000569595438 327207945 /nfs/dbraw/zinc/20/79/45/327207945.db2.gz QFFJNODCMYHLOC-AWEZNQCLSA-N 1 2 260.337 2.166 20 30 CEEDLO C[C@H](CC(=O)NCC1CCC(C#N)CC1)n1cc[nH+]c1 ZINC000566305188 327296779 /nfs/dbraw/zinc/29/67/79/327296779.db2.gz UURALJAKCMAETP-IYXRBSQSSA-N 1 2 274.368 2.280 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000560318276 327298658 /nfs/dbraw/zinc/29/86/58/327298658.db2.gz LTZVRZFFOYLMSL-CABCVRRESA-N 1 2 284.363 2.091 20 30 CEEDLO C=CC[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000427461078 327380507 /nfs/dbraw/zinc/38/05/07/327380507.db2.gz XAGLRXIXYBSNNH-CQSZACIVSA-N 1 2 255.321 2.386 20 30 CEEDLO C=CC[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000427461078 327380510 /nfs/dbraw/zinc/38/05/10/327380510.db2.gz XAGLRXIXYBSNNH-CQSZACIVSA-N 1 2 255.321 2.386 20 30 CEEDLO Cc1cc(C)c(CNC(=O)C2(C#N)CC(C)C2)c[nH+]1 ZINC000397063673 329321950 /nfs/dbraw/zinc/32/19/50/329321950.db2.gz ZJTDEZILTRENNX-UHFFFAOYSA-N 1 2 257.337 2.255 20 30 CEEDLO CC(C)Cc1ccc(C[NH+]2CC(O)(CC#N)C2)cc1 ZINC000191913966 329422093 /nfs/dbraw/zinc/42/20/93/329422093.db2.gz LJQZTCYAMUACIQ-UHFFFAOYSA-N 1 2 258.365 2.345 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc2ccccc21 ZINC000583756230 329474439 /nfs/dbraw/zinc/47/44/39/329474439.db2.gz UXCGHEGNRFGPQT-OAHLLOKOSA-N 1 2 271.320 2.006 20 30 CEEDLO N#CCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425235497 329645800 /nfs/dbraw/zinc/64/58/00/329645800.db2.gz DJOQQYKOWNNXHV-AWEZNQCLSA-N 1 2 282.347 2.352 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)nn1 ZINC000520794871 329774629 /nfs/dbraw/zinc/77/46/29/329774629.db2.gz YLPYEABWIAQVIH-UHFFFAOYSA-N 1 2 298.390 2.467 20 30 CEEDLO CC[N@H+](CCC#N)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528397510 330253819 /nfs/dbraw/zinc/25/38/19/330253819.db2.gz CXBZMDOXYFLCKM-AWEZNQCLSA-N 1 2 263.385 2.156 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528397510 330253822 /nfs/dbraw/zinc/25/38/22/330253822.db2.gz CXBZMDOXYFLCKM-AWEZNQCLSA-N 1 2 263.385 2.156 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(CC=C)nn1 ZINC000424173029 330313600 /nfs/dbraw/zinc/31/36/00/330313600.db2.gz OTOYAFGJDHHXKC-UHFFFAOYSA-N 1 2 284.363 2.319 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccc(OCC)c(F)c2)nn1 ZINC000424174357 330314318 /nfs/dbraw/zinc/31/43/18/330314318.db2.gz RSJMXWKSSQMUKQ-UHFFFAOYSA-N 1 2 290.342 2.292 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(OC)cc2F)nn1 ZINC000424292400 330335132 /nfs/dbraw/zinc/33/51/32/330335132.db2.gz GWFICNBYLNOQNF-LLVKDONJSA-N 1 2 290.342 2.463 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC#N ZINC000120114230 330384578 /nfs/dbraw/zinc/38/45/78/330384578.db2.gz LGSQCFAWDMSRHK-NWDGAFQWSA-N 1 2 267.373 2.183 20 30 CEEDLO C=CC[N@@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000121161416 330398280 /nfs/dbraw/zinc/39/82/80/330398280.db2.gz QVCACRWGWYMAJP-UHFFFAOYSA-N 1 2 267.394 2.487 20 30 CEEDLO C=CC[N@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000121161416 330398281 /nfs/dbraw/zinc/39/82/81/330398281.db2.gz QVCACRWGWYMAJP-UHFFFAOYSA-N 1 2 267.394 2.487 20 30 CEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000449877108 330953055 /nfs/dbraw/zinc/95/30/55/330953055.db2.gz ONGNNYQULBGZPQ-WBMJQRKESA-N 1 2 280.331 2.038 20 30 CEEDLO C=C(C)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000163135046 330987614 /nfs/dbraw/zinc/98/76/14/330987614.db2.gz CDXHJRPDDHQKEN-UHFFFAOYSA-N 1 2 270.336 2.248 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000450809476 331000644 /nfs/dbraw/zinc/00/06/44/331000644.db2.gz WYUKFCRKCPRPNJ-OLZOCXBDSA-N 1 2 261.369 2.476 20 30 CEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000450955371 331008622 /nfs/dbraw/zinc/00/86/22/331008622.db2.gz CRDZKCXIRNEPLE-QLFBSQMISA-N 1 2 278.396 2.196 20 30 CEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000450955371 331008623 /nfs/dbraw/zinc/00/86/23/331008623.db2.gz CRDZKCXIRNEPLE-QLFBSQMISA-N 1 2 278.396 2.196 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000451239754 331021547 /nfs/dbraw/zinc/02/15/47/331021547.db2.gz GGZGARUTAUPTSD-HNNXBMFYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CCCC1 ZINC000451239754 331021548 /nfs/dbraw/zinc/02/15/48/331021548.db2.gz GGZGARUTAUPTSD-HNNXBMFYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456400155 331192230 /nfs/dbraw/zinc/19/22/30/331192230.db2.gz DHMNZVZLRQRFMM-LALPHHSUSA-N 1 2 277.368 2.234 20 30 CEEDLO C=CCCCCCN(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459183552 331271521 /nfs/dbraw/zinc/27/15/21/331271521.db2.gz RDFRHXRRLOQHHV-UHFFFAOYSA-N 1 2 278.400 2.350 20 30 CEEDLO CCOc1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459457746 331282332 /nfs/dbraw/zinc/28/23/32/331282332.db2.gz DIFNTFNJMWWPDZ-OLZOCXBDSA-N 1 2 287.363 2.306 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490740909 332111573 /nfs/dbraw/zinc/11/15/73/332111573.db2.gz RMTZMWTVAYPKLV-NWDGAFQWSA-N 1 2 273.380 2.118 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490740909 332111575 /nfs/dbraw/zinc/11/15/75/332111575.db2.gz RMTZMWTVAYPKLV-NWDGAFQWSA-N 1 2 273.380 2.118 20 30 CEEDLO C#CCN(C(=O)NCCCCn1cc[nH+]c1)C1CCCC1 ZINC000490831359 332118496 /nfs/dbraw/zinc/11/84/96/332118496.db2.gz SSWJGNZWEBAGFI-UHFFFAOYSA-N 1 2 288.395 2.251 20 30 CEEDLO C#CCN(C)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000491350004 332194983 /nfs/dbraw/zinc/19/49/83/332194983.db2.gz LNFGZIYJXSWCPT-UHFFFAOYSA-N 1 2 281.359 2.395 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000491351862 332195316 /nfs/dbraw/zinc/19/53/16/332195316.db2.gz VZUSMCIPLBDIQG-UHFFFAOYSA-N 1 2 282.796 2.115 20 30 CEEDLO C#CC[N@H+](CC(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000491351862 332195318 /nfs/dbraw/zinc/19/53/18/332195318.db2.gz VZUSMCIPLBDIQG-UHFFFAOYSA-N 1 2 282.796 2.115 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000491393437 332203184 /nfs/dbraw/zinc/20/31/84/332203184.db2.gz HQTSTSMOPDGTFV-UHFFFAOYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000491393437 332203185 /nfs/dbraw/zinc/20/31/85/332203185.db2.gz HQTSTSMOPDGTFV-UHFFFAOYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000491395037 332203978 /nfs/dbraw/zinc/20/39/78/332203978.db2.gz QIERKOVWOLQBBO-LSDHHAIUSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000491395037 332203979 /nfs/dbraw/zinc/20/39/79/332203979.db2.gz QIERKOVWOLQBBO-LSDHHAIUSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000491441958 332212576 /nfs/dbraw/zinc/21/25/76/332212576.db2.gz YNUYIQHFDZNQNO-ZDUSSCGKSA-N 1 2 281.302 2.165 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000491441958 332212577 /nfs/dbraw/zinc/21/25/77/332212577.db2.gz YNUYIQHFDZNQNO-ZDUSSCGKSA-N 1 2 281.302 2.165 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491634148 332255575 /nfs/dbraw/zinc/25/55/75/332255575.db2.gz QLHBHCLRMUCSHV-ZDUSSCGKSA-N 1 2 284.363 2.244 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000491675062 332280931 /nfs/dbraw/zinc/28/09/31/332280931.db2.gz YNLGVSBNVMQNPF-GDBMZVCRSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000491675062 332280932 /nfs/dbraw/zinc/28/09/32/332280932.db2.gz YNLGVSBNVMQNPF-GDBMZVCRSA-N 1 2 270.376 2.222 20 30 CEEDLO C#CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000491775049 332341032 /nfs/dbraw/zinc/34/10/32/332341032.db2.gz UZJAFGHJCJNGCS-UHFFFAOYSA-N 1 2 270.292 2.069 20 30 CEEDLO C#CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000491775049 332341033 /nfs/dbraw/zinc/34/10/33/332341033.db2.gz UZJAFGHJCJNGCS-UHFFFAOYSA-N 1 2 270.292 2.069 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491786915 332349721 /nfs/dbraw/zinc/34/97/21/332349721.db2.gz USBLINFLUWUIDS-NWDGAFQWSA-N 1 2 262.357 2.065 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCCC ZINC000491792772 332353128 /nfs/dbraw/zinc/35/31/28/332353128.db2.gz HNNFNMFGPAQCOE-CQSZACIVSA-N 1 2 258.365 2.037 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCCC ZINC000491792772 332353129 /nfs/dbraw/zinc/35/31/29/332353129.db2.gz HNNFNMFGPAQCOE-CQSZACIVSA-N 1 2 258.365 2.037 20 30 CEEDLO C#CCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491886082 332373503 /nfs/dbraw/zinc/37/35/03/332373503.db2.gz NGNJPMCPUQMEBH-RMKNXTFCSA-N 1 2 265.316 2.025 20 30 CEEDLO C[C@H]1CC(NC(=O)C=Cc2ccc(-n3cc[nH+]c3)cc2)=NO1 ZINC000492388242 332395242 /nfs/dbraw/zinc/39/52/42/332395242.db2.gz BZSNFDMGOZNIDS-NTYUQYKDSA-N 1 2 296.330 2.124 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(CCC#N)CC2)s1 ZINC000568862658 334843720 /nfs/dbraw/zinc/84/37/20/334843720.db2.gz RTEWMIMFUHNNLU-UHFFFAOYSA-N 1 2 250.371 2.362 20 30 CEEDLO CC[N@H+](CCC#N)[C@H]1CCc2ccccc2NC1=O ZINC000233443688 333352408 /nfs/dbraw/zinc/35/24/08/333352408.db2.gz AKJGHCZXAXAJLM-AWEZNQCLSA-N 1 2 257.337 2.175 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H]1CCc2ccccc2NC1=O ZINC000233443688 333352409 /nfs/dbraw/zinc/35/24/09/333352409.db2.gz AKJGHCZXAXAJLM-AWEZNQCLSA-N 1 2 257.337 2.175 20 30 CEEDLO COC[C@H](C)C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000576071575 335149306 /nfs/dbraw/zinc/14/93/06/335149306.db2.gz KZVFIPMGTAHUKM-QLFBSQMISA-N 1 2 266.385 2.196 20 30 CEEDLO COC[C@H](C)C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000576071575 335149308 /nfs/dbraw/zinc/14/93/08/335149308.db2.gz KZVFIPMGTAHUKM-QLFBSQMISA-N 1 2 266.385 2.196 20 30 CEEDLO Cc1csc(NC(=O)C[NH+]2CCC(CC#N)CC2)n1 ZINC000541022997 333759738 /nfs/dbraw/zinc/75/97/38/333759738.db2.gz KNOATXOZRLWHRU-UHFFFAOYSA-N 1 2 278.381 2.016 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCCC1(C)C ZINC000576230451 335174779 /nfs/dbraw/zinc/17/47/79/335174779.db2.gz AMAGWHJIGGAILF-WFASDCNBSA-N 1 2 265.401 2.163 20 30 CEEDLO C=CCN(Cc1ccccc1F)C(=O)Cc1c[nH+]cn1C ZINC000547863528 334128170 /nfs/dbraw/zinc/12/81/70/334128170.db2.gz OFTHAFGWUMVWJG-UHFFFAOYSA-N 1 2 287.338 2.317 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611792 334199452 /nfs/dbraw/zinc/19/94/52/334199452.db2.gz GPTIHNZWAHXJHB-MRVWCRGKSA-N 1 2 267.336 2.176 20 30 CEEDLO COc1ccc(OC)c(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000552810098 334345689 /nfs/dbraw/zinc/34/56/89/334345689.db2.gz LCCWQJUHPLOHNT-GFCCVEGCSA-N 1 2 273.336 2.237 20 30 CEEDLO CCOC(=O)CC(C)(C)CC[NH+]1CC(C)(C#N)C1 ZINC000568168752 334799488 /nfs/dbraw/zinc/79/94/88/334799488.db2.gz QLYNMLCFXUVGBX-UHFFFAOYSA-N 1 2 252.358 2.201 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576289900 335184609 /nfs/dbraw/zinc/18/46/09/335184609.db2.gz SLBMDVXBXPSOMG-GHMZBOCLSA-N 1 2 290.323 2.204 20 30 CEEDLO C=CCCCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000578451970 335636409 /nfs/dbraw/zinc/63/64/09/335636409.db2.gz VJOCFZWFOWBMDP-UHFFFAOYSA-N 1 2 297.443 2.143 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1ccccc1C#N ZINC000183040122 520160657 /nfs/dbraw/zinc/16/06/57/520160657.db2.gz JCTOMKABOSQERH-UHFFFAOYSA-N 1 2 259.353 2.036 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1ccccc1C#N ZINC000183040122 520160662 /nfs/dbraw/zinc/16/06/62/520160662.db2.gz JCTOMKABOSQERH-UHFFFAOYSA-N 1 2 259.353 2.036 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000354586142 534271941 /nfs/dbraw/zinc/27/19/41/534271941.db2.gz OGBYEQWLNNIAJG-GOEBONIOSA-N 1 2 296.374 2.475 20 30 CEEDLO C[C@H](C#N)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352791233 534281758 /nfs/dbraw/zinc/28/17/58/534281758.db2.gz YNQSTXLWJAISCV-DGCLKSJQSA-N 1 2 268.320 2.117 20 30 CEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000184997623 518763338 /nfs/dbraw/zinc/76/33/38/518763338.db2.gz SHVKLZVCBPFTMN-GFCCVEGCSA-N 1 2 279.409 2.303 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000183036288 520160211 /nfs/dbraw/zinc/16/02/11/520160211.db2.gz IVEXRILZFWONSU-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000183036288 520160218 /nfs/dbraw/zinc/16/02/18/520160218.db2.gz IVEXRILZFWONSU-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO O=C(CCC1CCOCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330264357 534766079 /nfs/dbraw/zinc/76/60/79/534766079.db2.gz XVDIDVVZTKFRFY-ZDUSSCGKSA-N 1 2 277.368 2.361 20 30 CEEDLO C=CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000344617785 526994731 /nfs/dbraw/zinc/99/47/31/526994731.db2.gz HSRZCTSBHBHZBD-GFCCVEGCSA-N 1 2 294.424 2.090 20 30 CEEDLO C=CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000111238366 527583354 /nfs/dbraw/zinc/58/33/54/527583354.db2.gz OVDFURGOZSCRRZ-UHFFFAOYSA-N 1 2 269.728 2.207 20 30 CEEDLO C=CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000111238366 527583362 /nfs/dbraw/zinc/58/33/62/527583362.db2.gz OVDFURGOZSCRRZ-UHFFFAOYSA-N 1 2 269.728 2.207 20 30 CEEDLO CC1(C#N)CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000332098485 528840536 /nfs/dbraw/zinc/84/05/36/528840536.db2.gz XYJDKKAQGIZHHD-UHFFFAOYSA-N 1 2 272.308 2.455 20 30 CEEDLO CCOCc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)no1 ZINC000353616385 529079228 /nfs/dbraw/zinc/07/92/28/529079228.db2.gz CCDRPXINVGYMCW-SDDRHHMPSA-N 1 2 278.356 2.339 20 30 CEEDLO CCc1nc(C2([NH2+]Cc3cc(C#N)n(C)c3)CCCC2)no1 ZINC000190917700 536128323 /nfs/dbraw/zinc/12/83/23/536128323.db2.gz NECJTAXETUDYKK-UHFFFAOYSA-N 1 2 299.378 2.401 20 30 CEEDLO CCOc1ccc(/C=[NH+]/C[C@H](C)C(=O)OC)c(O)c1 ZINC000726119431 574423870 /nfs/dbraw/zinc/42/38/70/574423870.db2.gz YQYPPVVYSCQIDI-CNOAHFENSA-N 1 2 265.309 2.019 20 30 CEEDLO Cc1c(C=[NH+]NC2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000727651717 574453955 /nfs/dbraw/zinc/45/39/55/574453955.db2.gz MZQXBHBIPXNDDL-UHFFFAOYSA-N 1 2 298.390 2.351 20 30 CEEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N(C)C)c(F)c2)n1 ZINC000727649982 574454030 /nfs/dbraw/zinc/45/40/30/574454030.db2.gz FCKFYSLFIFPSJG-UHFFFAOYSA-N 1 2 289.314 2.142 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000730097234 574501314 /nfs/dbraw/zinc/50/13/14/574501314.db2.gz JGWKIDSPCKUYLP-NSHDSACASA-N 1 2 282.796 2.115 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000730097234 574501315 /nfs/dbraw/zinc/50/13/15/574501315.db2.gz JGWKIDSPCKUYLP-NSHDSACASA-N 1 2 282.796 2.115 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000753585780 574511781 /nfs/dbraw/zinc/51/17/81/574511781.db2.gz AZNFCZGMLJZILS-OAHLLOKOSA-N 1 2 254.337 2.460 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000753585780 574511782 /nfs/dbraw/zinc/51/17/82/574511782.db2.gz AZNFCZGMLJZILS-OAHLLOKOSA-N 1 2 254.337 2.460 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000730278553 574513439 /nfs/dbraw/zinc/51/34/39/574513439.db2.gz OSMWVDKNKUZQMP-CJNGLKHVSA-N 1 2 268.360 2.234 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000730278553 574513440 /nfs/dbraw/zinc/51/34/40/574513440.db2.gz OSMWVDKNKUZQMP-CJNGLKHVSA-N 1 2 268.360 2.234 20 30 CEEDLO COC[C@H](C#N)OC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000751602752 575293455 /nfs/dbraw/zinc/29/34/55/575293455.db2.gz DMDFYMDPEJEGMK-STQMWFEESA-N 1 2 296.754 2.024 20 30 CEEDLO CO[C@@H](C)C(N)=[NH+]OCc1ccc(C#N)cc1OC(F)F ZINC000754296064 574578318 /nfs/dbraw/zinc/57/83/18/574578318.db2.gz IOFCZFLXRRVECC-QMMMGPOBSA-N 1 2 299.277 2.193 20 30 CEEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1ccc(F)cn1 ZINC000731319580 574593774 /nfs/dbraw/zinc/59/37/74/574593774.db2.gz SBCIZLSSJMQRTP-UHFFFAOYSA-N 1 2 295.343 2.198 20 30 CEEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1cc(C)ccn1 ZINC000755904386 574784976 /nfs/dbraw/zinc/78/49/76/574784976.db2.gz BOVBFVMHMDIERP-UHFFFAOYSA-N 1 2 291.380 2.367 20 30 CEEDLO Clc1ccc2[nH+]cc(CN=Nc3cnccn3)n2c1 ZINC000737429474 574833848 /nfs/dbraw/zinc/83/38/48/574833848.db2.gz VIJBJGPULCRFGW-UHFFFAOYSA-N 1 2 272.699 2.224 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]\C[C@H](C)C(C)C)c1O ZINC000739427347 574918207 /nfs/dbraw/zinc/91/82/07/574918207.db2.gz UAJZTGORYGIRCP-VNCYPQDWSA-N 1 2 250.342 2.299 20 30 CEEDLO Cc1nc(NCc2ccc(OCC#N)cc2)cc[nH+]1 ZINC000742400793 575020050 /nfs/dbraw/zinc/02/00/50/575020050.db2.gz FUFXMJFSVURZAV-UHFFFAOYSA-N 1 2 254.293 2.300 20 30 CEEDLO CCC[C@@H]1CC(=O)N(C[N@H+](CCC#N)CC(C)C)C1 ZINC000743357422 575050289 /nfs/dbraw/zinc/05/02/89/575050289.db2.gz WIPMCZQELNLLKI-CQSZACIVSA-N 1 2 265.401 2.464 20 30 CEEDLO CCC[C@@H]1CC(=O)N(C[N@@H+](CCC#N)CC(C)C)C1 ZINC000743357422 575050290 /nfs/dbraw/zinc/05/02/90/575050290.db2.gz WIPMCZQELNLLKI-CQSZACIVSA-N 1 2 265.401 2.464 20 30 CEEDLO Cc1cccc(F)c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000743484904 575105208 /nfs/dbraw/zinc/10/52/08/575105208.db2.gz TYCIUXLKASMIDR-INIZCTEOSA-N 1 2 297.333 2.322 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748082223 575178137 /nfs/dbraw/zinc/17/81/37/575178137.db2.gz HELHCGVQPZLJNP-NSHDSACASA-N 1 2 267.402 2.075 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748082223 575178138 /nfs/dbraw/zinc/17/81/38/575178138.db2.gz HELHCGVQPZLJNP-NSHDSACASA-N 1 2 267.402 2.075 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)c2ccc(CC)cc2)CC1 ZINC000749993581 575243323 /nfs/dbraw/zinc/24/33/23/575243323.db2.gz JUQPYLKIBSTIPG-UHFFFAOYSA-N 1 2 298.430 2.304 20 30 CEEDLO Nc1ccc(CCC(=O)OCC#Cc2ccc(F)cc2)c[nH+]1 ZINC000751460113 575289542 /nfs/dbraw/zinc/28/95/42/575289542.db2.gz YATPHQPNAYYWJV-UHFFFAOYSA-N 1 2 298.317 2.330 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@@H]1SCC)C(=O)OC ZINC000878596173 651137613 /nfs/dbraw/zinc/13/76/13/651137613.db2.gz AFULBUNSSRHFNA-SRVKXCTJSA-N 1 2 257.399 2.368 20 30 CEEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387425 613215463 /nfs/dbraw/zinc/21/54/63/613215463.db2.gz ZRHWVHRFSDCGIK-PWSUYJOCSA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387425 613215464 /nfs/dbraw/zinc/21/54/64/613215464.db2.gz ZRHWVHRFSDCGIK-PWSUYJOCSA-N 1 2 296.823 2.475 20 30 CEEDLO C=C(C)CC[NH+]1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000952377253 613261716 /nfs/dbraw/zinc/26/17/16/613261716.db2.gz UWAGLTXVPXPHMX-UHFFFAOYSA-N 1 2 298.390 2.287 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]c(C)cc2C)C1 ZINC000969972475 613371574 /nfs/dbraw/zinc/37/15/74/613371574.db2.gz HZHQNZRTSVYWPR-GFCCVEGCSA-N 1 2 295.814 2.434 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2oc(C)nc2C)C1 ZINC000969439458 613371972 /nfs/dbraw/zinc/37/19/72/613371972.db2.gz AJIDSUZBNVGHAO-SECBINFHSA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)C)C1 ZINC000965243480 613375395 /nfs/dbraw/zinc/37/53/95/613375395.db2.gz GHFMJAHQRVQKAQ-PWSUYJOCSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)C)C1 ZINC000965243480 613375396 /nfs/dbraw/zinc/37/53/96/613375396.db2.gz GHFMJAHQRVQKAQ-PWSUYJOCSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC2)C1 ZINC000964609631 613375494 /nfs/dbraw/zinc/37/54/94/613375494.db2.gz ZSUDBWJAPRTZKA-MFKMUULPSA-N 1 2 270.804 2.366 20 30 CEEDLO 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286.335 2.480 20 30 CEEDLO O=C1C=COC2(CC[NH+](Cc3nc4ccccc4[nH]3)CC2)C1 ZINC000933644374 623943230 /nfs/dbraw/zinc/94/32/30/623943230.db2.gz ODJLFYCXEPRMPW-UHFFFAOYSA-N 1 2 297.358 2.401 20 30 CEEDLO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269899 624377880 /nfs/dbraw/zinc/37/78/80/624377880.db2.gz BYRSMSVBWFJKJD-LLVKDONJSA-N 1 2 263.341 2.294 20 30 CEEDLO C=C(CC)C[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269899 624377882 /nfs/dbraw/zinc/37/78/82/624377882.db2.gz BYRSMSVBWFJKJD-LLVKDONJSA-N 1 2 263.341 2.294 20 30 CEEDLO COc1cnc([C@@H]2CCC[N@@H+]2CCC(C)(C)C#N)[nH]c1=O ZINC000934280189 624383892 /nfs/dbraw/zinc/38/38/92/624383892.db2.gz UBAOGRWURHPQDF-NSHDSACASA-N 1 2 290.367 2.268 20 30 CEEDLO COc1cnc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)[nH]c1=O ZINC000934280189 624383899 /nfs/dbraw/zinc/38/38/99/624383899.db2.gz UBAOGRWURHPQDF-NSHDSACASA-N 1 2 290.367 2.268 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(COC(C)C)no1 ZINC000934462416 624510161 /nfs/dbraw/zinc/51/01/61/624510161.db2.gz QIYGBNAHWPTWRC-NSHDSACASA-N 1 2 251.330 2.145 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(COC(C)C)no1 ZINC000934462416 624510165 /nfs/dbraw/zinc/51/01/65/624510165.db2.gz QIYGBNAHWPTWRC-NSHDSACASA-N 1 2 251.330 2.145 20 30 CEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC000934517890 624556473 /nfs/dbraw/zinc/55/64/73/624556473.db2.gz BXHIPPYBFZASSW-LBPRGKRZSA-N 1 2 283.331 2.430 20 30 CEEDLO CCn1c[nH+]cc1CN=Nc1nccnc1C1CCC1 ZINC000841638699 625218123 /nfs/dbraw/zinc/21/81/23/625218123.db2.gz XBQXETKMCOBTPT-UHFFFAOYSA-N 1 2 270.340 2.407 20 30 CEEDLO Cc1cc(NC2CCN(CC#N)CC2)nc(C2CCC2)[nH+]1 ZINC000892403779 625238879 /nfs/dbraw/zinc/23/88/79/625238879.db2.gz RIDOBDVQARLLRL-UHFFFAOYSA-N 1 2 285.395 2.452 20 30 CEEDLO CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(C#N)c1O ZINC000926692516 625743929 /nfs/dbraw/zinc/74/39/29/625743929.db2.gz NJLXLPUUFZBGCW-BXUZGUMPSA-N 1 2 274.364 2.466 20 30 CEEDLO COc1ccc2c(c1)C(=O)/C(=C/c1ccc(N)[nH+]c1)CO2 ZINC000821039172 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C#CC[N@H+](CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O)C(C)C ZINC000902382110 634626226 /nfs/dbraw/zinc/62/62/26/634626226.db2.gz BOEDSWNNMHWYIO-INIZCTEOSA-N 1 2 298.386 2.139 20 30 CEEDLO C#CC[N@@H+](CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O)C(C)C ZINC000902382110 634626229 /nfs/dbraw/zinc/62/62/29/634626229.db2.gz BOEDSWNNMHWYIO-INIZCTEOSA-N 1 2 298.386 2.139 20 30 CEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccccn1 ZINC000123574142 628386352 /nfs/dbraw/zinc/38/63/52/628386352.db2.gz QBCLNURTKOVINQ-JSGCOSHPSA-N 1 2 257.337 2.132 20 30 CEEDLO CC[N@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccccn1 ZINC000123574142 628386354 /nfs/dbraw/zinc/38/63/54/628386354.db2.gz QBCLNURTKOVINQ-JSGCOSHPSA-N 1 2 257.337 2.132 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001009924062 628724365 /nfs/dbraw/zinc/72/43/65/628724365.db2.gz CYZHWJIYQFSQAN-OAHLLOKOSA-N 1 2 295.342 2.156 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001009924062 628724370 /nfs/dbraw/zinc/72/43/70/628724370.db2.gz CYZHWJIYQFSQAN-OAHLLOKOSA-N 1 2 295.342 2.156 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893545648 628725516 /nfs/dbraw/zinc/72/55/16/628725516.db2.gz VOGZMTSHJDZXLA-MRVPVSSYSA-N 1 2 253.689 2.497 20 30 CEEDLO C[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980656573 628795434 /nfs/dbraw/zinc/79/54/34/628795434.db2.gz KWWBDLHULQDYIM-WMZOPIPTSA-N 1 2 296.414 2.228 20 30 CEEDLO C[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980656573 628795439 /nfs/dbraw/zinc/79/54/39/628795439.db2.gz KWWBDLHULQDYIM-WMZOPIPTSA-N 1 2 296.414 2.228 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000893697514 628931412 /nfs/dbraw/zinc/93/14/12/628931412.db2.gz UIEFZIBXBJEMMW-AWEZNQCLSA-N 1 2 282.347 2.032 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000795861734 629695643 /nfs/dbraw/zinc/69/56/43/629695643.db2.gz PHGQBTKXEUKWIF-OAHLLOKOSA-N 1 2 275.352 2.263 20 30 CEEDLO CCNc1cc(CNc2cc(C)ncc2C#N)cc[nH+]1 ZINC000894871830 629707887 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Cn1cnc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc21 ZINC000896506936 630585490 /nfs/dbraw/zinc/58/54/90/630585490.db2.gz WTYPEXOHOGHWQH-CYBMUJFWSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1cnc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc21 ZINC000896506936 630585492 /nfs/dbraw/zinc/58/54/92/630585492.db2.gz WTYPEXOHOGHWQH-CYBMUJFWSA-N 1 2 254.337 2.309 20 30 CEEDLO Cc1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[nH+]c1C ZINC000896910288 630791719 /nfs/dbraw/zinc/79/17/19/630791719.db2.gz OUSSSIOBBFYQOT-LSDHHAIUSA-N 1 2 294.358 2.318 20 30 CEEDLO N#CCOc1cccc(OC(=O)CCCn2cc[nH+]c2)c1 ZINC000841342790 630942435 /nfs/dbraw/zinc/94/24/35/630942435.db2.gz OEHINPSNVVQYJC-UHFFFAOYSA-N 1 2 285.303 2.171 20 30 CEEDLO CC#CC[N@@H+](C)Cc1cc(F)c(OC)cc1OC ZINC000897169569 630972472 /nfs/dbraw/zinc/97/24/72/630972472.db2.gz PYVFFPJTGRJCNS-UHFFFAOYSA-N 1 2 251.301 2.298 20 30 CEEDLO CC#CC[N@H+](C)Cc1cc(F)c(OC)cc1OC ZINC000897169569 630972473 /nfs/dbraw/zinc/97/24/73/630972473.db2.gz PYVFFPJTGRJCNS-UHFFFAOYSA-N 1 2 251.301 2.298 20 30 CEEDLO O=C1C=C([NH2+]Nc2cccc(F)c2)[C@H]2CCCCN12 ZINC000799478224 631030948 /nfs/dbraw/zinc/03/09/48/631030948.db2.gz XHNIAUHYWOVVRV-CYBMUJFWSA-N 1 2 261.300 2.378 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2nccnc2Cl)cn1C ZINC000800812286 631146092 /nfs/dbraw/zinc/14/60/92/631146092.db2.gz ASVXJJMMGFGYML-UHFFFAOYSA-N 1 2 264.720 2.008 20 30 CEEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000801921696 631355124 /nfs/dbraw/zinc/35/51/24/631355124.db2.gz KDDXMOASSIJYIU-LBPRGKRZSA-N 1 2 295.333 2.015 20 30 CEEDLO Cc1nc(C2([NH2+]CCO[C@H](C)C#N)CCCCC2)no1 ZINC000801930920 631359481 /nfs/dbraw/zinc/35/94/81/631359481.db2.gz ZPFVPNBJFXXWTN-LLVKDONJSA-N 1 2 278.356 2.056 20 30 CEEDLO COCC#CC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000611194769 631626742 /nfs/dbraw/zinc/62/67/42/631626742.db2.gz LTAMVSGJEZCXGF-CVEARBPZSA-N 1 2 293.407 2.080 20 30 CEEDLO COCC#CC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000611194769 631626745 /nfs/dbraw/zinc/62/67/45/631626745.db2.gz LTAMVSGJEZCXGF-CVEARBPZSA-N 1 2 293.407 2.080 20 30 CEEDLO C=CC[N@H+](CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1)C1CC1 ZINC000840041334 631666861 /nfs/dbraw/zinc/66/68/61/631666861.db2.gz ICEOBAFIGKFEHY-CABCVRRESA-N 1 2 260.381 2.241 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1)C1CC1 ZINC000840041334 631666866 /nfs/dbraw/zinc/66/68/66/631666866.db2.gz ICEOBAFIGKFEHY-CABCVRRESA-N 1 2 260.381 2.241 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000806361282 631736039 /nfs/dbraw/zinc/73/60/39/631736039.db2.gz MLZJVDMBHRATDI-LBPRGKRZSA-N 1 2 274.368 2.379 20 30 CEEDLO C#C[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000807274498 631828088 /nfs/dbraw/zinc/82/80/88/631828088.db2.gz SNHBNOOJWHXLOD-LBPRGKRZSA-N 1 2 278.783 2.300 20 30 CEEDLO C#C[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000807274498 631828090 /nfs/dbraw/zinc/82/80/90/631828090.db2.gz SNHBNOOJWHXLOD-LBPRGKRZSA-N 1 2 278.783 2.300 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)NCC(C)(C)CCC#N)c[nH+]1 ZINC000897771570 631900858 /nfs/dbraw/zinc/90/08/58/631900858.db2.gz VJYIZGNOBQIQHZ-UHFFFAOYSA-N 1 2 276.384 2.373 20 30 CEEDLO C=C1CCC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000897729758 631905372 /nfs/dbraw/zinc/90/53/72/631905372.db2.gz FKAKYZXCVHYPCA-CYBMUJFWSA-N 1 2 259.353 2.061 20 30 CEEDLO C=CCOc1cccc(C[NH+]2CC(N3CCCC3=O)C2)c1 ZINC000897790121 631917341 /nfs/dbraw/zinc/91/73/41/631917341.db2.gz NXIKDYRLZCSPCZ-UHFFFAOYSA-N 1 2 286.375 2.058 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]CCC#N)cc1Cl ZINC000825722371 635702919 /nfs/dbraw/zinc/70/29/19/635702919.db2.gz ZUNHBZVZXWKXMM-UHFFFAOYSA-N 1 2 252.701 2.130 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000898194677 632109271 /nfs/dbraw/zinc/10/92/71/632109271.db2.gz MVCMEJKXFSJUGZ-GJZGRUSLSA-N 1 2 265.328 2.156 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000898194677 632109274 /nfs/dbraw/zinc/10/92/74/632109274.db2.gz MVCMEJKXFSJUGZ-GJZGRUSLSA-N 1 2 265.328 2.156 20 30 CEEDLO C#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000812747661 632572932 /nfs/dbraw/zinc/57/29/32/632572932.db2.gz AXMKDKJYLNDECH-OAHLLOKOSA-N 1 2 285.322 2.293 20 30 CEEDLO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccc(N)nc1 ZINC000814900255 632919860 /nfs/dbraw/zinc/91/98/60/632919860.db2.gz KOVNTGBZZAQEQD-UHFFFAOYSA-N 1 2 266.308 2.376 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815147945 632972844 /nfs/dbraw/zinc/97/28/44/632972844.db2.gz IBKPPKUIBRJDDH-CMPLNLGQSA-N 1 2 294.317 2.347 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815147945 632972847 /nfs/dbraw/zinc/97/28/47/632972847.db2.gz IBKPPKUIBRJDDH-CMPLNLGQSA-N 1 2 294.317 2.347 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)Nc2cccc(OCC#N)c2)c[nH+]1 ZINC000900236758 633604573 /nfs/dbraw/zinc/60/45/73/633604573.db2.gz AHJOEYQRISTDIG-UHFFFAOYSA-N 1 2 298.346 2.468 20 30 CEEDLO C=CCN1C(=O)/C(=C/c2[nH]c(C)c(C)[nH+]2)SC1=S ZINC000901417747 634101078 /nfs/dbraw/zinc/10/10/78/634101078.db2.gz NKZWSIZADMEMKC-TWGQIWQCSA-N 1 2 279.390 2.414 20 30 CEEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2c(cnn2C)C1=O ZINC000901455866 634130356 /nfs/dbraw/zinc/13/03/56/634130356.db2.gz AAMIBXWXCRBTSR-IZZDOVSWSA-N 1 2 270.336 2.410 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)[O-] ZINC000901689853 634250719 /nfs/dbraw/zinc/25/07/19/634250719.db2.gz HGVWVHBXZZWOFW-CYBMUJFWSA-N 1 2 291.376 2.443 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cn(C)nn1 ZINC000902983298 634918780 /nfs/dbraw/zinc/91/87/80/634918780.db2.gz WHQYIRNGKHEVRS-VIFPVBQESA-N 1 2 275.743 2.191 20 30 CEEDLO CO[C@@]1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCSC1 ZINC000903315853 635063556 /nfs/dbraw/zinc/06/35/56/635063556.db2.gz KLXJBMLPQKWJTA-IAQYHMDHSA-N 1 2 292.404 2.437 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000824290342 635397878 /nfs/dbraw/zinc/39/78/78/635397878.db2.gz KELTYQNVAVRQTO-LSDHHAIUSA-N 1 2 273.380 2.342 20 30 CEEDLO O=C([C@H]1CCc2[nH+]ccn2C1)N(O)Cc1ccc(F)cc1 ZINC000904175199 635494114 /nfs/dbraw/zinc/49/41/14/635494114.db2.gz 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/nfs/dbraw/zinc/40/92/62/636409262.db2.gz JNFPMHIGNPVIBD-HNNXBMFYSA-N 1 2 285.391 2.292 20 30 CEEDLO C=CC[C@H]([NH2+]CCc1ccnc2ccccc12)C(=O)OC ZINC000905781796 636438686 /nfs/dbraw/zinc/43/86/86/636438686.db2.gz ZJJMLLFLUOQORW-INIZCTEOSA-N 1 2 284.359 2.485 20 30 CEEDLO C=CC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C(=O)OC ZINC000905758954 636444811 /nfs/dbraw/zinc/44/48/11/636444811.db2.gz FZEAOQJPFKZTFB-OCCSQVGLSA-N 1 2 275.348 2.260 20 30 CEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000829815976 636937910 /nfs/dbraw/zinc/93/79/10/636937910.db2.gz XBCYXESPHDYNQN-SECBINFHSA-N 1 2 255.268 2.243 20 30 CEEDLO C#CC[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000829815976 636937914 /nfs/dbraw/zinc/93/79/14/636937914.db2.gz XBCYXESPHDYNQN-SECBINFHSA-N 1 2 255.268 2.243 20 30 CEEDLO COC(=O)c1[nH]c(C[N@H+](CCC#N)CC(C)C)cc1C ZINC000876529701 650306403 /nfs/dbraw/zinc/30/64/03/650306403.db2.gz KTTJFOGJYIFRLM-UHFFFAOYSA-N 1 2 277.368 2.481 20 30 CEEDLO COC(=O)c1[nH]c(C[N@@H+](CCC#N)CC(C)C)cc1C ZINC000876529701 650306407 /nfs/dbraw/zinc/30/64/07/650306407.db2.gz KTTJFOGJYIFRLM-UHFFFAOYSA-N 1 2 277.368 2.481 20 30 CEEDLO C#CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000831874632 637452581 /nfs/dbraw/zinc/45/25/81/637452581.db2.gz YXCPUVFKKXEFSH-HNNXBMFYSA-N 1 2 274.339 2.054 20 30 CEEDLO CC(C)[N@H+](CCC#N)Cc1cnc2c(cnn2C)c1 ZINC000876611397 650358988 /nfs/dbraw/zinc/35/89/88/650358988.db2.gz ZLOXRGLYHAAJDT-UHFFFAOYSA-N 1 2 257.341 2.092 20 30 CEEDLO CC(C)[N@@H+](CCC#N)Cc1cnc2c(cnn2C)c1 ZINC000876611397 650358992 /nfs/dbraw/zinc/35/89/92/650358992.db2.gz ZLOXRGLYHAAJDT-UHFFFAOYSA-N 1 2 257.341 2.092 20 30 CEEDLO CC[C@@H](C#N)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910779848 638149655 /nfs/dbraw/zinc/14/96/55/638149655.db2.gz ZAGNENGGHXCSDL-HNNXBMFYSA-N 1 2 283.375 2.023 20 30 CEEDLO CC[C@@H](C#N)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910779848 638149665 /nfs/dbraw/zinc/14/96/65/638149665.db2.gz ZAGNENGGHXCSDL-HNNXBMFYSA-N 1 2 283.375 2.023 20 30 CEEDLO N#C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC2CCC1CC2 ZINC000911573230 638321277 /nfs/dbraw/zinc/32/12/77/638321277.db2.gz ZKJBKDGGKOABOY-QKRUXVEJSA-N 1 2 298.390 2.034 20 30 CEEDLO N#Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)ccn1 ZINC000911972634 638505004 /nfs/dbraw/zinc/50/50/04/638505004.db2.gz XGSHUVQTAINIFK-UHFFFAOYSA-N 1 2 253.309 2.060 20 30 CEEDLO C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000912079749 638551516 /nfs/dbraw/zinc/55/15/16/638551516.db2.gz RCXWUXSARNVJLU-ZIAGYGMSSA-N 1 2 276.384 2.412 20 30 CEEDLO C=CCC1(NC(=O)CNc2cccc[nH+]2)CCCC1 ZINC000912520284 638719033 /nfs/dbraw/zinc/71/90/33/638719033.db2.gz FCMWNVGIOWPTAA-UHFFFAOYSA-N 1 2 259.353 2.499 20 30 CEEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C(C)=O)c2ccccc2)CC1 ZINC000837522336 639264727 /nfs/dbraw/zinc/26/47/27/639264727.db2.gz UNFZATXCBWSEIA-QGZVFWFLSA-N 1 2 299.370 2.205 20 30 CEEDLO COc1ccc(C(N)=[NH+]OC[C@@H](CC(C)C)OC)cc1 ZINC000842020807 639920905 /nfs/dbraw/zinc/92/09/05/639920905.db2.gz FXWMNSWLPFHJSU-CQSZACIVSA-N 1 2 280.368 2.393 20 30 CEEDLO C#CCC1(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000914197369 640271132 /nfs/dbraw/zinc/27/11/32/640271132.db2.gz HRNHSSLABNPOJX-CQSZACIVSA-N 1 2 288.395 2.297 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccnc2)[C@@H]1C ZINC000992969622 640387006 /nfs/dbraw/zinc/38/70/06/640387006.db2.gz VFVORUSCXQUZLU-JSGCOSHPSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccnc2)[C@@H]1C ZINC000992969622 640387011 /nfs/dbraw/zinc/38/70/11/640387011.db2.gz VFVORUSCXQUZLU-JSGCOSHPSA-N 1 2 293.798 2.417 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000929830345 640415848 /nfs/dbraw/zinc/41/58/48/640415848.db2.gz DHBBXHCZCNDVPA-TZMCWYRMSA-N 1 2 287.363 2.142 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000929830345 640415851 /nfs/dbraw/zinc/41/58/51/640415851.db2.gz DHBBXHCZCNDVPA-TZMCWYRMSA-N 1 2 287.363 2.142 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843425837 640425398 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CCOc1ccc(/C=[NH+]\C[C@@H](C)COC)c(O)c1 ZINC000920864267 641205416 /nfs/dbraw/zinc/20/54/16/641205416.db2.gz PWZQCKICYIORBM-PDICVPPASA-N 1 2 251.326 2.492 20 30 CEEDLO N#CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000170879555 641432724 /nfs/dbraw/zinc/43/27/24/641432724.db2.gz PCGHNGKZBACURP-UHFFFAOYSA-N 1 2 297.362 2.365 20 30 CEEDLO COc1ccc2c(c1)CC(=NNCCCn1cc[nH+]c1)CC2 ZINC000848417568 641985781 /nfs/dbraw/zinc/98/57/81/641985781.db2.gz BLZDTDGUAPXICM-UHFFFAOYSA-N 1 2 298.390 2.416 20 30 CEEDLO CO[C@@]1(C)CC(=NNCCCn2cc[nH+]c2)C1(C)C ZINC000848418171 641987062 /nfs/dbraw/zinc/98/70/62/641987062.db2.gz JIRLVSASGDGWCH-AWEZNQCLSA-N 1 2 264.373 2.054 20 30 CEEDLO C#C[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000848749139 642125762 /nfs/dbraw/zinc/12/57/62/642125762.db2.gz DAVFKEXPFOLISJ-LBPRGKRZSA-N 1 2 256.353 2.148 20 30 CEEDLO C#C[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000848749139 642125769 /nfs/dbraw/zinc/12/57/69/642125769.db2.gz DAVFKEXPFOLISJ-LBPRGKRZSA-N 1 2 256.353 2.148 20 30 CEEDLO COC(=O)/C=C\c1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000848918139 642191695 /nfs/dbraw/zinc/19/16/95/642191695.db2.gz QJAPTKFGQAOHOI-WAYWQWQTSA-N 1 2 274.320 2.249 20 30 CEEDLO CO[C@@H](C)C[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877522162 650764748 /nfs/dbraw/zinc/76/47/48/650764748.db2.gz BKQWHXNBZHXUJV-VIFPVBQESA-N 1 2 253.733 2.073 20 30 CEEDLO CO[C@@H](C)C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877522162 650764752 /nfs/dbraw/zinc/76/47/52/650764752.db2.gz BKQWHXNBZHXUJV-VIFPVBQESA-N 1 2 253.733 2.073 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CC23CC3)CC1 ZINC001001201918 642700956 /nfs/dbraw/zinc/70/09/56/642700956.db2.gz NRUZQOAYQZWRDC-CYBMUJFWSA-N 1 2 280.799 2.287 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC23CC3)CC1 ZINC001001201918 642700958 /nfs/dbraw/zinc/70/09/58/642700958.db2.gz NRUZQOAYQZWRDC-CYBMUJFWSA-N 1 2 280.799 2.287 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC001002243075 642766824 /nfs/dbraw/zinc/76/68/24/642766824.db2.gz PKEAMVUDLZHHOF-UHFFFAOYSA-N 1 2 268.744 2.226 20 30 CEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](C)CCC#N ZINC000877624982 650819811 /nfs/dbraw/zinc/81/98/11/650819811.db2.gz KDAOLUIONVEEHI-ZDUSSCGKSA-N 1 2 264.369 2.203 20 30 CEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](C)CCC#N ZINC000877624982 650819814 /nfs/dbraw/zinc/81/98/14/650819814.db2.gz KDAOLUIONVEEHI-ZDUSSCGKSA-N 1 2 264.369 2.203 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328785 643397150 /nfs/dbraw/zinc/39/71/50/643397150.db2.gz MWIAHGPMGRAZLP-DOTOQJQBSA-N 1 2 285.391 2.266 20 30 CEEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328785 643397154 /nfs/dbraw/zinc/39/71/54/643397154.db2.gz MWIAHGPMGRAZLP-DOTOQJQBSA-N 1 2 285.391 2.266 20 30 CEEDLO CCC(=O)CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000852342858 643399959 /nfs/dbraw/zinc/39/99/59/643399959.db2.gz MOYXVCWWAMTJFQ-UHFFFAOYSA-N 1 2 277.393 2.111 20 30 CEEDLO C=C(Cl)C[C@H]([NH2+]CC[C@@H]1CCOC1)C(=O)OCC ZINC000877672231 650844839 /nfs/dbraw/zinc/84/48/39/650844839.db2.gz 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/nfs/dbraw/zinc/78/03/17/643780317.db2.gz DHIWZKIWUFUWNC-AWEZNQCLSA-N 1 2 274.364 2.470 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@@H](O)C1(C)C ZINC000853486296 643785772 /nfs/dbraw/zinc/78/57/72/643785772.db2.gz UGMJDOYXMRJDPZ-UONOGXRCSA-N 1 2 274.364 2.445 20 30 CEEDLO C=CC[N@@H+](CN1C[C@H](CCC)CC1=O)[C@H](C)COC ZINC000853535294 643805152 /nfs/dbraw/zinc/80/51/52/643805152.db2.gz SIPOPPOKKVZHGX-ZIAGYGMSSA-N 1 2 268.401 2.115 20 30 CEEDLO C=CC[N@H+](CN1C[C@H](CCC)CC1=O)[C@H](C)COC ZINC000853535294 643805156 /nfs/dbraw/zinc/80/51/56/643805156.db2.gz SIPOPPOKKVZHGX-ZIAGYGMSSA-N 1 2 268.401 2.115 20 30 CEEDLO NC(=[NH+]OCc1cc(C2CC2)no1)c1ccc2c(c1)CCO2 ZINC000853679716 643860766 /nfs/dbraw/zinc/86/07/66/643860766.db2.gz JMAWSAVSUZNBHR-UHFFFAOYSA-N 1 2 299.330 2.324 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1)C(=O)OC ZINC000839167506 644176693 /nfs/dbraw/zinc/17/66/93/644176693.db2.gz FRUGJLGWUNLCHE-WWGRRREGSA-N 1 2 289.375 2.342 20 30 CEEDLO NC(CCO)=[NH+]OCc1coc(-c2cccc(Cl)c2)n1 ZINC000136073447 644357922 /nfs/dbraw/zinc/35/79/22/644357922.db2.gz AOKVNSWBQNHGNC-UHFFFAOYSA-N 1 2 295.726 2.166 20 30 CEEDLO Cc1nc(NCc2cccc(C(=O)O[C@@H](C)C#N)c2)cc[nH+]1 ZINC000754951454 644453207 /nfs/dbraw/zinc/45/32/07/644453207.db2.gz NEVGEUOMTHLGAH-NSHDSACASA-N 1 2 296.330 2.466 20 30 CEEDLO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000756645020 644677593 /nfs/dbraw/zinc/67/75/93/644677593.db2.gz MMQNHRDRHHYVIK-LBPRGKRZSA-N 1 2 293.436 2.317 20 30 CEEDLO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000756645020 644677596 /nfs/dbraw/zinc/67/75/96/644677596.db2.gz MMQNHRDRHHYVIK-LBPRGKRZSA-N 1 2 293.436 2.317 20 30 CEEDLO C#CCn1cc(CNc2nc(C)[nH+]c3c2CCCC3)cn1 ZINC000856747294 644709963 /nfs/dbraw/zinc/70/99/63/644709963.db2.gz MKQSCKHEFIMQRS-UHFFFAOYSA-N 1 2 281.363 2.106 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C ZINC000839601389 644752706 /nfs/dbraw/zinc/75/27/06/644752706.db2.gz LVALKUIALBJENT-HNNXBMFYSA-N 1 2 272.392 2.283 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C ZINC000839601389 644752722 /nfs/dbraw/zinc/75/27/22/644752722.db2.gz LVALKUIALBJENT-HNNXBMFYSA-N 1 2 272.392 2.283 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCC(C)C ZINC000839601390 644752749 /nfs/dbraw/zinc/75/27/49/644752749.db2.gz LVALKUIALBJENT-OAHLLOKOSA-N 1 2 272.392 2.283 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCC(C)C ZINC000839601390 644752754 /nfs/dbraw/zinc/75/27/54/644752754.db2.gz LVALKUIALBJENT-OAHLLOKOSA-N 1 2 272.392 2.283 20 30 CEEDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000839669065 644767270 /nfs/dbraw/zinc/76/72/70/644767270.db2.gz LHRQYWVKCWOUKY-GDBMZVCRSA-N 1 2 288.391 2.420 20 30 CEEDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000839669065 644767272 /nfs/dbraw/zinc/76/72/72/644767272.db2.gz LHRQYWVKCWOUKY-GDBMZVCRSA-N 1 2 288.391 2.420 20 30 CEEDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)[nH]1 ZINC000839660643 644767398 /nfs/dbraw/zinc/76/73/98/644767398.db2.gz WVEZOWJCFSTOKG-CQSZACIVSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)[nH]1 ZINC000839660643 644767400 /nfs/dbraw/zinc/76/74/00/644767400.db2.gz WVEZOWJCFSTOKG-CQSZACIVSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC000839660643 644767404 /nfs/dbraw/zinc/76/74/04/644767404.db2.gz WVEZOWJCFSTOKG-CQSZACIVSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n1 ZINC000839660643 644767405 /nfs/dbraw/zinc/76/74/05/644767405.db2.gz WVEZOWJCFSTOKG-CQSZACIVSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)n[nH]1 ZINC000839660643 644767408 /nfs/dbraw/zinc/76/74/08/644767408.db2.gz WVEZOWJCFSTOKG-CQSZACIVSA-N 1 2 297.362 2.005 20 30 CEEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)n[nH]1 ZINC000839660643 644767409 /nfs/dbraw/zinc/76/74/09/644767409.db2.gz WVEZOWJCFSTOKG-CQSZACIVSA-N 1 2 297.362 2.005 20 30 CEEDLO C#CCC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCCCC1 ZINC000857979118 645032089 /nfs/dbraw/zinc/03/20/89/645032089.db2.gz NDEKGJYGCPBALV-ZDUSSCGKSA-N 1 2 271.364 2.418 20 30 CEEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000761117599 645244780 /nfs/dbraw/zinc/24/47/80/645244780.db2.gz JMBGPVSOBAVIGC-CQSZACIVSA-N 1 2 283.379 2.401 20 30 CEEDLO C#CC[C@@H](COC)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000858861456 645275617 /nfs/dbraw/zinc/27/56/17/645275617.db2.gz YTEUIBRBKZCQOK-NSHDSACASA-N 1 2 270.336 2.122 20 30 CEEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000761866904 645328036 /nfs/dbraw/zinc/32/80/36/645328036.db2.gz MYTSMEIYTHOQFY-UHFFFAOYSA-N 1 2 299.378 2.093 20 30 CEEDLO C#CCCOC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000859131636 645379988 /nfs/dbraw/zinc/37/99/88/645379988.db2.gz OQYRDVFJBSKMFH-UHFFFAOYSA-N 1 2 277.368 2.317 20 30 CEEDLO C=C(Cl)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000764537468 645655106 /nfs/dbraw/zinc/65/51/06/645655106.db2.gz IGJSEXRNQLAEIT-UHFFFAOYSA-N 1 2 289.766 2.343 20 30 CEEDLO Cc1ccc(C#N)c(N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000766423404 645884263 /nfs/dbraw/zinc/88/42/63/645884263.db2.gz SHBDPKRLBCZTNM-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO Cc1ccc(C#N)c(N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000766423404 645884267 /nfs/dbraw/zinc/88/42/67/645884267.db2.gz SHBDPKRLBCZTNM-UHFFFAOYSA-N 1 2 294.349 2.427 20 30 CEEDLO C=CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766620917 645905707 /nfs/dbraw/zinc/90/57/07/645905707.db2.gz ZEGASTAKVYBDNB-UHFFFAOYSA-N 1 2 283.375 2.064 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767875663 646049638 /nfs/dbraw/zinc/04/96/38/646049638.db2.gz XBZGDRCSTPXPSK-KGLIPLIRSA-N 1 2 288.395 2.111 20 30 CEEDLO C[C@H](C#N)COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768813603 646168065 /nfs/dbraw/zinc/16/80/65/646168065.db2.gz ULQUDNAIYHCVFH-UKRRQHHQSA-N 1 2 272.348 2.354 20 30 CEEDLO C[C@H](C#N)COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768813603 646168066 /nfs/dbraw/zinc/16/80/66/646168066.db2.gz ULQUDNAIYHCVFH-UKRRQHHQSA-N 1 2 272.348 2.354 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000769962938 646340866 /nfs/dbraw/zinc/34/08/66/646340866.db2.gz LQBZBMPTSMNZGR-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000769962938 646340868 /nfs/dbraw/zinc/34/08/68/646340868.db2.gz LQBZBMPTSMNZGR-LBPRGKRZSA-N 1 2 255.321 2.499 20 30 CEEDLO C(=Nn1cnnc1-c1ccccc1)c1cccc2[nH+]ccn21 ZINC000771099137 646490682 /nfs/dbraw/zinc/49/06/82/646490682.db2.gz WZMKCJWPIITCEV-UHFFFAOYSA-N 1 2 288.314 2.475 20 30 CEEDLO Clc1cncc(N=NCc2cccc3[nH+]ccn32)n1 ZINC000771099681 646491127 /nfs/dbraw/zinc/49/11/27/646491127.db2.gz YUFZREBXXTWJCK-UHFFFAOYSA-N 1 2 272.699 2.224 20 30 CEEDLO C=CC[N@@H+](Cn1nc(C(=O)OC)c(Cl)c1C)C1CC1 ZINC000771640593 646540721 /nfs/dbraw/zinc/54/07/21/646540721.db2.gz OZTZKFBFIXAFLF-UHFFFAOYSA-N 1 2 283.759 2.239 20 30 CEEDLO C=CC[N@H+](Cn1nc(C(=O)OC)c(Cl)c1C)C1CC1 ZINC000771640593 646540726 /nfs/dbraw/zinc/54/07/26/646540726.db2.gz OZTZKFBFIXAFLF-UHFFFAOYSA-N 1 2 283.759 2.239 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000772419985 646628382 /nfs/dbraw/zinc/62/83/82/646628382.db2.gz ALQGKKJVWKPPSZ-HNNXBMFYSA-N 1 2 294.358 2.113 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000772419985 646628384 /nfs/dbraw/zinc/62/83/84/646628384.db2.gz ALQGKKJVWKPPSZ-HNNXBMFYSA-N 1 2 294.358 2.113 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CCC(C)(C)O)c(O)c1 ZINC000773904437 646786650 /nfs/dbraw/zinc/78/66/50/646786650.db2.gz FYAAYWAYYKLBMY-XNTDXEJSSA-N 1 2 251.326 2.371 20 30 CEEDLO N#CC1(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000775857345 646999833 /nfs/dbraw/zinc/99/98/33/646999833.db2.gz WNBFIRXCEKFMAF-OAHLLOKOSA-N 1 2 284.359 2.498 20 30 CEEDLO N#CC1(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000775857345 646999834 /nfs/dbraw/zinc/99/98/34/646999834.db2.gz WNBFIRXCEKFMAF-OAHLLOKOSA-N 1 2 284.359 2.498 20 30 CEEDLO C[C@H](C#N)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776096482 647022593 /nfs/dbraw/zinc/02/25/93/647022593.db2.gz BDIQSDGQXXSTNW-LLVKDONJSA-N 1 2 255.277 2.189 20 30 CEEDLO CC#CC[NH2+]Cc1cn(-c2ccc3sc(C)nc3c2)nn1 ZINC000864654980 647077860 /nfs/dbraw/zinc/07/78/60/647077860.db2.gz ZXYUJTVACIRXLG-UHFFFAOYSA-N 1 2 297.387 2.298 20 30 CEEDLO CCCNc1cc(NCCNc2ncccc2C#N)nc[nH+]1 ZINC000865465057 647306919 /nfs/dbraw/zinc/30/69/19/647306919.db2.gz SXFJBFUNCIOUFL-UHFFFAOYSA-N 1 2 297.366 2.089 20 30 CEEDLO CCCNc1cc(NCCNc2ncccc2C#N)[nH+]cn1 ZINC000865465057 647306923 /nfs/dbraw/zinc/30/69/23/647306923.db2.gz SXFJBFUNCIOUFL-UHFFFAOYSA-N 1 2 297.366 2.089 20 30 CEEDLO C#CCCCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000780653172 647455761 /nfs/dbraw/zinc/45/57/61/647455761.db2.gz BJRKUECJYVWMBU-UHFFFAOYSA-N 1 2 261.369 2.315 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NCCC)[nH+]cn1 ZINC000865856776 647506391 /nfs/dbraw/zinc/50/63/91/647506391.db2.gz TUEYZLBZLGLFKZ-NEPJUHHUSA-N 1 2 262.357 2.444 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NCCC)nc[nH+]1 ZINC000865856776 647506394 /nfs/dbraw/zinc/50/63/94/647506394.db2.gz TUEYZLBZLGLFKZ-NEPJUHHUSA-N 1 2 262.357 2.444 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1c(C)cc(OC)nc1C ZINC000781913368 647570992 /nfs/dbraw/zinc/57/09/92/647570992.db2.gz SOIFOWFZJMKKJB-UHFFFAOYSA-N 1 2 256.349 2.166 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1c(C)cc(OC)nc1C ZINC000781913368 647570995 /nfs/dbraw/zinc/57/09/95/647570995.db2.gz SOIFOWFZJMKKJB-UHFFFAOYSA-N 1 2 256.349 2.166 20 30 CEEDLO N#Cc1ccccc1/C=C\C(=O)OCCCn1cc[nH+]c1 ZINC000782629577 647646269 /nfs/dbraw/zinc/64/62/69/647646269.db2.gz TXTWLRUKVJCJGX-SREVYHEPSA-N 1 2 281.315 2.401 20 30 CEEDLO C=CCNC(=S)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782891183 647662349 /nfs/dbraw/zinc/66/23/49/647662349.db2.gz RGZZBLFDNJYAAC-UHFFFAOYSA-N 1 2 292.452 2.436 20 30 CEEDLO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc(C#N)c1O ZINC000866254697 647698344 /nfs/dbraw/zinc/69/83/44/647698344.db2.gz WDBZUBZZHARSGD-LBPRGKRZSA-N 1 2 284.363 2.281 20 30 CEEDLO C[C@H]([NH2+]CCCCCCO)c1cccc(C#N)c1O ZINC000866313705 647732704 /nfs/dbraw/zinc/73/27/04/647732704.db2.gz GRAHKFFYMMZSPP-LBPRGKRZSA-N 1 2 262.353 2.467 20 30 CEEDLO C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866313438 647733020 /nfs/dbraw/zinc/73/30/20/647733020.db2.gz ASLABUUIIQEQNZ-NEPJUHHUSA-N 1 2 260.337 2.099 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc(C#N)c1O ZINC000866363718 647756729 /nfs/dbraw/zinc/75/67/29/647756729.db2.gz MXTRSMMXQFVBEK-NWDGAFQWSA-N 1 2 262.353 2.323 20 30 CEEDLO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866372496 647762019 /nfs/dbraw/zinc/76/20/19/647762019.db2.gz RFRXRGYWWXFGRK-NEPJUHHUSA-N 1 2 284.363 2.279 20 30 CEEDLO Cc1ccc(N=NCc2cc(-n3cc[nH+]c3)cs2)nn1 ZINC000783842593 647770069 /nfs/dbraw/zinc/77/00/69/647770069.db2.gz UVGLUESYMMRUCG-UHFFFAOYSA-N 1 2 284.348 2.478 20 30 CEEDLO CCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866394049 647771292 /nfs/dbraw/zinc/77/12/92/647771292.db2.gz SLUJGSKENAFVNM-JSGCOSHPSA-N 1 2 273.380 2.399 20 30 CEEDLO C=C(C)[C@@H](CC(=O)OCCCn1cc[nH+]c1)OCC ZINC000784380892 647843626 /nfs/dbraw/zinc/84/36/26/647843626.db2.gz PDLWVJNVGAKDRQ-CYBMUJFWSA-N 1 2 266.341 2.188 20 30 CEEDLO C=CCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000786438013 648011276 /nfs/dbraw/zinc/01/12/76/648011276.db2.gz SXTLWWXHYKUINS-AWEZNQCLSA-N 1 2 258.321 2.280 20 30 CEEDLO C=CCC[N@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000786438013 648011277 /nfs/dbraw/zinc/01/12/77/648011277.db2.gz SXTLWWXHYKUINS-AWEZNQCLSA-N 1 2 258.321 2.280 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122276245 648237232 /nfs/dbraw/zinc/23/72/32/648237232.db2.gz JCUKGMGTPPAGST-JTQLQIEISA-N 1 2 282.731 2.229 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122276245 648237236 /nfs/dbraw/zinc/23/72/36/648237236.db2.gz JCUKGMGTPPAGST-JTQLQIEISA-N 1 2 282.731 2.229 20 30 CEEDLO CCOCc1cc(C=NNc2[nH+]ccn2C)ccc1OC ZINC000790301005 648403476 /nfs/dbraw/zinc/40/34/76/648403476.db2.gz CZKCLECVMZRSNQ-UHFFFAOYSA-N 1 2 288.351 2.411 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000791216498 648489658 /nfs/dbraw/zinc/48/96/58/648489658.db2.gz CMJURQVWOIMPAS-UHFFFAOYSA-N 1 2 287.294 2.132 20 30 CEEDLO C[C@@H]([N@H+](C)Cn1nc(CC#N)n(C)c1=S)C(C)(C)C ZINC000794616768 648894009 /nfs/dbraw/zinc/89/40/09/648894009.db2.gz KRHDDOMECCWRRO-SNVBAGLBSA-N 1 2 281.429 2.341 20 30 CEEDLO C[C@@H]([N@@H+](C)Cn1nc(CC#N)n(C)c1=S)C(C)(C)C ZINC000794616768 648894011 /nfs/dbraw/zinc/89/40/11/648894011.db2.gz KRHDDOMECCWRRO-SNVBAGLBSA-N 1 2 281.429 2.341 20 30 CEEDLO CCC1(C)CC[NH+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794627657 648895225 /nfs/dbraw/zinc/89/52/25/648895225.db2.gz VKBCRCUPOCCWCL-UHFFFAOYSA-N 1 2 293.440 2.487 20 30 CEEDLO Cn1c(CC#N)nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794688668 648903704 /nfs/dbraw/zinc/90/37/04/648903704.db2.gz ZTYDRZCERDZZPK-LLVKDONJSA-N 1 2 293.440 2.485 20 30 CEEDLO Cn1c(CC#N)nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794688668 648903706 /nfs/dbraw/zinc/90/37/06/648903706.db2.gz ZTYDRZCERDZZPK-LLVKDONJSA-N 1 2 293.440 2.485 20 30 CEEDLO Cc1nccc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000794714695 648906131 /nfs/dbraw/zinc/90/61/31/648906131.db2.gz GEAJCLWHJMKPKM-UHFFFAOYSA-N 1 2 274.299 2.070 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C(=O)OC)[nH]c1C ZINC000878523590 651120445 /nfs/dbraw/zinc/12/04/45/651120445.db2.gz FXVVUPSEUYDNNN-LBPRGKRZSA-N 1 2 290.363 2.333 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C(=O)OC)[nH]c1C ZINC000878523590 651120446 /nfs/dbraw/zinc/12/04/46/651120446.db2.gz FXVVUPSEUYDNNN-LBPRGKRZSA-N 1 2 290.363 2.333 20 30 CEEDLO COc1ccc(F)cc1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774603 651183517 /nfs/dbraw/zinc/18/35/17/651183517.db2.gz CDOHYPVMKWUJFK-BETUJISGSA-N 1 2 291.370 2.252 20 30 CEEDLO COc1ccc(F)cc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878774603 651183518 /nfs/dbraw/zinc/18/35/18/651183518.db2.gz CDOHYPVMKWUJFK-BETUJISGSA-N 1 2 291.370 2.252 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)CC2CCCC2)c1=S ZINC000127419644 651213122 /nfs/dbraw/zinc/21/31/22/651213122.db2.gz DRJJEMLWRWNHOD-UHFFFAOYSA-N 1 2 267.402 2.075 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000127419644 651213124 /nfs/dbraw/zinc/21/31/24/651213124.db2.gz DRJJEMLWRWNHOD-UHFFFAOYSA-N 1 2 267.402 2.075 20 30 CEEDLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326442 651286760 /nfs/dbraw/zinc/28/67/60/651286760.db2.gz RHLPLVQIIHKDTC-YPMHNXCESA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326442 651286762 /nfs/dbraw/zinc/28/67/62/651286762.db2.gz RHLPLVQIIHKDTC-YPMHNXCESA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@H]1CC[C@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326438 651286806 /nfs/dbraw/zinc/28/68/06/651286806.db2.gz RHLPLVQIIHKDTC-AAEUAGOBSA-N 1 2 289.335 2.466 20 30 CEEDLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000879326438 651286809 /nfs/dbraw/zinc/28/68/09/651286809.db2.gz RHLPLVQIIHKDTC-AAEUAGOBSA-N 1 2 289.335 2.466 20 30 CEEDLO C[N@H+](CCc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000879433863 651303171 /nfs/dbraw/zinc/30/31/71/651303171.db2.gz IACDTRLNNUEWIG-UHFFFAOYSA-N 1 2 274.364 2.374 20 30 CEEDLO C[N@@H+](CCc1cccc(C#N)c1)CC(=O)OC(C)(C)C ZINC000879433863 651303173 /nfs/dbraw/zinc/30/31/73/651303173.db2.gz IACDTRLNNUEWIG-UHFFFAOYSA-N 1 2 274.364 2.374 20 30 CEEDLO CCCn1ncnc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432748 651303282 /nfs/dbraw/zinc/30/32/82/651303282.db2.gz FVKGCSNFKCMYAX-UHFFFAOYSA-N 1 2 283.379 2.234 20 30 CEEDLO CCCn1ncnc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432748 651303283 /nfs/dbraw/zinc/30/32/83/651303283.db2.gz FVKGCSNFKCMYAX-UHFFFAOYSA-N 1 2 283.379 2.234 20 30 CEEDLO Cc1nnc(C[N@H+](C)CCc2cccc(C#N)c2)n1C1CC1 ZINC000879433233 651303413 /nfs/dbraw/zinc/30/34/13/651303413.db2.gz QKPZGUVGACRRLG-UHFFFAOYSA-N 1 2 295.390 2.468 20 30 CEEDLO Cc1nnc(C[N@@H+](C)CCc2cccc(C#N)c2)n1C1CC1 ZINC000879433233 651303415 /nfs/dbraw/zinc/30/34/15/651303415.db2.gz QKPZGUVGACRRLG-UHFFFAOYSA-N 1 2 295.390 2.468 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879767971 651349289 /nfs/dbraw/zinc/34/92/89/651349289.db2.gz RSIOKMXOTDTRNA-LBPRGKRZSA-N 1 2 290.794 2.144 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879767971 651349291 /nfs/dbraw/zinc/34/92/91/651349291.db2.gz RSIOKMXOTDTRNA-LBPRGKRZSA-N 1 2 290.794 2.144 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188379 651398202 /nfs/dbraw/zinc/39/82/02/651398202.db2.gz BXLWYPKXOHXRFH-ROUUACIJSA-N 1 2 290.370 2.416 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188379 651398204 /nfs/dbraw/zinc/39/82/04/651398204.db2.gz BXLWYPKXOHXRFH-ROUUACIJSA-N 1 2 290.370 2.416 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268729 651413132 /nfs/dbraw/zinc/41/31/32/651413132.db2.gz RERADPZHAFYBFY-UHFFFAOYSA-N 1 2 265.666 2.470 20 30 CEEDLO C=C(Cl)C[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268729 651413133 /nfs/dbraw/zinc/41/31/33/651413133.db2.gz RERADPZHAFYBFY-UHFFFAOYSA-N 1 2 265.666 2.470 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](c3nccs3)C2)n1 ZINC000880320866 651424607 /nfs/dbraw/zinc/42/46/07/651424607.db2.gz IFMLXMLOIZLMHF-SECBINFHSA-N 1 2 276.390 2.461 20 30 CEEDLO N#Cc1csc(C[N@H+]2CC[C@@H](c3nccs3)C2)n1 ZINC000880320866 651424611 /nfs/dbraw/zinc/42/46/11/651424611.db2.gz IFMLXMLOIZLMHF-SECBINFHSA-N 1 2 276.390 2.461 20 30 CEEDLO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000883319011 652431706 /nfs/dbraw/zinc/43/17/06/652431706.db2.gz LSRRFERWWYPQQN-WZRBSPASSA-N 1 2 260.337 2.339 20 30 CEEDLO Cn1c[nH+]cc1CNc1ccc(F)cc1OCC#N ZINC000134214299 652794169 /nfs/dbraw/zinc/79/41/69/652794169.db2.gz NYYIQXNXFQCUHT-UHFFFAOYSA-N 1 2 260.272 2.074 20 30 CEEDLO COc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1C#N ZINC000135137209 652936645 /nfs/dbraw/zinc/93/66/45/652936645.db2.gz GPVVYOOOPRGNET-UHFFFAOYSA-N 1 2 297.362 2.065 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(CC)c(CC)o2)CC1 ZINC000135231666 652953777 /nfs/dbraw/zinc/95/37/77/652953777.db2.gz JYCBZJQFVOWEAP-UHFFFAOYSA-N 1 2 288.391 2.186 20 30 CEEDLO C=CC[NH+]1CCN(c2nc(Cl)ccc2OCC)CC1 ZINC001165031375 721867796 /nfs/dbraw/zinc/86/77/96/721867796.db2.gz GLJKZLMDUVHIND-UHFFFAOYSA-N 1 2 281.787 2.442 20 30 CEEDLO C=C(C)C(=O)OCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168070331 806047735 /nfs/dbraw/zinc/04/77/35/806047735.db2.gz AFAQEPDMCSEYKB-UHFFFAOYSA-N 1 2 271.320 2.168 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098243832 806478045 /nfs/dbraw/zinc/47/80/45/806478045.db2.gz GTDHFJRAJKJHPQ-ABAIWWIYSA-N 1 2 276.384 2.304 20 30 CEEDLO C=C(C)CC[NH+]1CC(NC(=O)c2scnc2CC)C1 ZINC001030407468 807171212 /nfs/dbraw/zinc/17/12/12/807171212.db2.gz GTGVHKRAHQOVBY-UHFFFAOYSA-N 1 2 279.409 2.086 20 30 CEEDLO C=CCCC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084129 802339167 /nfs/dbraw/zinc/33/91/67/802339167.db2.gz LIFNZVYIKBWCKT-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208084129 802339179 /nfs/dbraw/zinc/33/91/79/802339179.db2.gz LIFNZVYIKBWCKT-QWRGUYRKSA-N 1 2 296.308 2.434 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001039036769 802390409 /nfs/dbraw/zinc/39/04/09/802390409.db2.gz VNXJFBSRBVSRMW-OAHLLOKOSA-N 1 2 298.386 2.055 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC2CCC2)cc1 ZINC001039036769 802390419 /nfs/dbraw/zinc/39/04/19/802390419.db2.gz VNXJFBSRBVSRMW-OAHLLOKOSA-N 1 2 298.386 2.055 20 30 CEEDLO CCc1noc([C@@H]2CCCN(c3cc(CC#N)cc[nH+]3)C2)n1 ZINC001167144116 802533890 /nfs/dbraw/zinc/53/38/90/802533890.db2.gz SMLSMSMJPKDVCB-CYBMUJFWSA-N 1 2 297.362 2.477 20 30 CEEDLO C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)c2ncnn21 ZINC000922236766 809072941 /nfs/dbraw/zinc/07/29/41/809072941.db2.gz FJCRXFJMWPJXDZ-LDYMZIIASA-N 1 2 259.338 2.007 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001207026096 802699429 /nfs/dbraw/zinc/69/94/29/802699429.db2.gz DIJQXINVHGEGKP-AWEZNQCLSA-N 1 2 293.342 2.097 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001207026096 802699431 /nfs/dbraw/zinc/69/94/31/802699431.db2.gz DIJQXINVHGEGKP-AWEZNQCLSA-N 1 2 293.342 2.097 20 30 CEEDLO N#CCc1ccc[nH+]c1NCc1ccc(O)c(O)c1 ZINC001169994123 811867251 /nfs/dbraw/zinc/86/72/51/811867251.db2.gz ZQQBYGNKXPMRPI-UHFFFAOYSA-N 1 2 255.277 2.171 20 30 CEEDLO N#Cc1c[nH]c2cc(NCc3cc[nH+]c(N)c3)cnc12 ZINC001167616752 803203161 /nfs/dbraw/zinc/20/31/61/803203161.db2.gz PDMCAMUKMUZBPA-UHFFFAOYSA-N 1 2 264.292 2.024 20 30 CEEDLO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001267266298 803312588 /nfs/dbraw/zinc/31/25/88/803312588.db2.gz CLKJVPGGUSQULK-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001267266298 803312594 /nfs/dbraw/zinc/31/25/94/803312594.db2.gz CLKJVPGGUSQULK-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001267266298 803312597 /nfs/dbraw/zinc/31/25/97/803312597.db2.gz CLKJVPGGUSQULK-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001267266298 803312601 /nfs/dbraw/zinc/31/26/01/803312601.db2.gz CLKJVPGGUSQULK-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C[N@@H+]1CC[C@H]1CNc1ccc(C#N)cc1Br ZINC000712593845 814754977 /nfs/dbraw/zinc/75/49/77/814754977.db2.gz FAXSEWLQXSRAGM-JTQLQIEISA-N 1 2 280.169 2.437 20 30 CEEDLO C[N@H+]1CC[C@H]1CNc1ccc(C#N)cc1Br ZINC000712593845 814754982 /nfs/dbraw/zinc/75/49/82/814754982.db2.gz FAXSEWLQXSRAGM-JTQLQIEISA-N 1 2 280.169 2.437 20 30 CEEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)o1 ZINC001267527973 803529321 /nfs/dbraw/zinc/52/93/21/803529321.db2.gz QAAMIKAWSDNLSW-OKILXGFUSA-N 1 2 289.379 2.124 20 30 CEEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)o1 ZINC001267527973 803529325 /nfs/dbraw/zinc/52/93/25/803529325.db2.gz QAAMIKAWSDNLSW-OKILXGFUSA-N 1 2 289.379 2.124 20 30 CEEDLO C=CCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001267781987 803731142 /nfs/dbraw/zinc/73/11/42/803731142.db2.gz PNXXNHQRONEEKV-CQSZACIVSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001267781987 803731147 /nfs/dbraw/zinc/73/11/47/803731147.db2.gz PNXXNHQRONEEKV-CQSZACIVSA-N 1 2 291.395 2.372 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001093560943 814972458 /nfs/dbraw/zinc/97/24/58/814972458.db2.gz SGSHXILXJQAAOB-OAHLLOKOSA-N 1 2 298.402 2.002 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001093560942 814972822 /nfs/dbraw/zinc/97/28/22/814972822.db2.gz SGSHXILXJQAAOB-HNNXBMFYSA-N 1 2 298.402 2.002 20 30 CEEDLO C=C[C@H](C(=O)NCCNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001093664732 814993910 /nfs/dbraw/zinc/99/39/10/814993910.db2.gz MUAISZPLOUFISP-HNNXBMFYSA-N 1 2 296.374 2.283 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cscn1 ZINC001027781401 804254745 /nfs/dbraw/zinc/25/47/45/804254745.db2.gz HMGJAXHJEHWLRV-SNVBAGLBSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cscn1 ZINC001027781401 804254752 /nfs/dbraw/zinc/25/47/52/804254752.db2.gz HMGJAXHJEHWLRV-SNVBAGLBSA-N 1 2 285.800 2.090 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001027830861 804280898 /nfs/dbraw/zinc/28/08/98/804280898.db2.gz IHANLKDGMMOEDX-NEPJUHHUSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001027830861 804280904 /nfs/dbraw/zinc/28/09/04/804280904.db2.gz IHANLKDGMMOEDX-NEPJUHHUSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001027960245 804363785 /nfs/dbraw/zinc/36/37/85/804363785.db2.gz WJOHFZIYHFPSNA-MNOVXSKESA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001027960245 804363792 /nfs/dbraw/zinc/36/37/92/804363792.db2.gz WJOHFZIYHFPSNA-MNOVXSKESA-N 1 2 292.757 2.365 20 30 CEEDLO C=CCCC(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001268256882 804580671 /nfs/dbraw/zinc/58/06/71/804580671.db2.gz HBWJHCMOIRVVKX-UHFFFAOYSA-N 1 2 284.403 2.442 20 30 CEEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001269269353 805106214 /nfs/dbraw/zinc/10/62/14/805106214.db2.gz YVBPBSNVBVSVFK-HIFRSBDPSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001269269353 805106219 /nfs/dbraw/zinc/10/62/19/805106219.db2.gz YVBPBSNVBVSVFK-HIFRSBDPSA-N 1 2 291.395 2.310 20 30 CEEDLO C=CC(C)(C)CC(=O)NCC1([NH2+]Cc2nocc2C)CC1 ZINC001269419567 805158405 /nfs/dbraw/zinc/15/84/05/805158405.db2.gz FXUKRIXVHOLATP-UHFFFAOYSA-N 1 2 291.395 2.324 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3ccccc32)C1 ZINC001030632526 807269207 /nfs/dbraw/zinc/26/92/07/807269207.db2.gz UJLKIMIWZSYMES-UHFFFAOYSA-N 1 2 281.359 2.225 20 30 CEEDLO COC(=O)N1CCC[N@H+](Cc2ccc(C)cc2C#N)CC1 ZINC001232963167 807346777 /nfs/dbraw/zinc/34/67/77/807346777.db2.gz BZKFKIXCVGYXIO-UHFFFAOYSA-N 1 2 287.363 2.141 20 30 CEEDLO COC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2C#N)CC1 ZINC001232963167 807346784 /nfs/dbraw/zinc/34/67/84/807346784.db2.gz BZKFKIXCVGYXIO-UHFFFAOYSA-N 1 2 287.363 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3ccccc3n2C)C1 ZINC001030863327 807440229 /nfs/dbraw/zinc/44/02/29/807440229.db2.gz LAWDKXJEANZAGB-UHFFFAOYSA-N 1 2 283.375 2.168 20 30 CEEDLO C=CC[NH+]1CC(NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001030889241 807460978 /nfs/dbraw/zinc/46/09/78/807460978.db2.gz SFRLHZLPVUYIEP-UHFFFAOYSA-N 1 2 272.392 2.141 20 30 CEEDLO C=Cc1ccc(C(=O)NC2C[NH+](CC(=C)C)C2)cc1 ZINC001030994420 807571814 /nfs/dbraw/zinc/57/18/14/807571814.db2.gz DLJVQFXBYHREAX-UHFFFAOYSA-N 1 2 256.349 2.320 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001031053134 807622137 /nfs/dbraw/zinc/62/21/37/807622137.db2.gz XGUPWTNTYAHACM-GUYCJALGSA-N 1 2 276.424 2.273 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001031138023 807682531 /nfs/dbraw/zinc/68/25/31/807682531.db2.gz BOEVHWCOOQKURC-UHFFFAOYSA-N 1 2 299.418 2.277 20 30 CEEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)cn1 ZINC001235328212 807816877 /nfs/dbraw/zinc/81/68/77/807816877.db2.gz YOIIMYAVMINWNF-NSHDSACASA-N 1 2 263.316 2.355 20 30 CEEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)cn1 ZINC001235328212 807816886 /nfs/dbraw/zinc/81/68/86/807816886.db2.gz YOIIMYAVMINWNF-NSHDSACASA-N 1 2 263.316 2.355 20 30 CEEDLO C[N@@H+](Cc1ccccc1CC#N)Cc1ncccn1 ZINC001235511080 807838473 /nfs/dbraw/zinc/83/84/73/807838473.db2.gz GITLGYGYPUHQQG-UHFFFAOYSA-N 1 2 252.321 2.175 20 30 CEEDLO C[N@H+](Cc1ccccc1CC#N)Cc1ncccn1 ZINC001235511080 807838481 /nfs/dbraw/zinc/83/84/81/807838481.db2.gz GITLGYGYPUHQQG-UHFFFAOYSA-N 1 2 252.321 2.175 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001031472148 807970837 /nfs/dbraw/zinc/97/08/37/807970837.db2.gz OYOIWDOVKPXAGF-ZIAGYGMSSA-N 1 2 262.397 2.027 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C23CCC(CC2)C3)C1 ZINC001031773270 808128973 /nfs/dbraw/zinc/12/89/73/808128973.db2.gz RSEKXBMNPKGEBT-UHFFFAOYSA-N 1 2 282.815 2.367 20 30 CEEDLO C#CCN1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237141656 808196819 /nfs/dbraw/zinc/19/68/19/808196819.db2.gz ZFFSPJRQHLGLBV-UHFFFAOYSA-N 1 2 298.308 2.162 20 30 CEEDLO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc(C(F)F)no1 ZINC001120059202 815193356 /nfs/dbraw/zinc/19/33/56/815193356.db2.gz HNRRKNIZBLZYJQ-SSDOTTSWSA-N 1 2 258.272 2.425 20 30 CEEDLO C#Cc1cc(NC2=CCCN(C(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC001205228798 808640340 /nfs/dbraw/zinc/64/03/40/808640340.db2.gz FICXGZHRRGYDBY-UHFFFAOYSA-N 1 2 299.374 2.421 20 30 CEEDLO N#Cc1cc(O)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212364831 808664445 /nfs/dbraw/zinc/66/44/45/808664445.db2.gz VCZKQKPIZOQDIY-UHFFFAOYSA-N 1 2 296.330 2.239 20 30 CEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1 ZINC001032562655 808702748 /nfs/dbraw/zinc/70/27/48/808702748.db2.gz AVRZJRLDNVOMDX-HOTGVXAUSA-N 1 2 299.418 2.387 20 30 CEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1 ZINC001032562655 808702753 /nfs/dbraw/zinc/70/27/53/808702753.db2.gz AVRZJRLDNVOMDX-HOTGVXAUSA-N 1 2 299.418 2.387 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(F)F)c1 ZINC001032588831 808716260 /nfs/dbraw/zinc/71/62/60/808716260.db2.gz APSSDRVMVZWKHV-QWRGUYRKSA-N 1 2 282.290 2.302 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(F)F)c1 ZINC001032588831 808716266 /nfs/dbraw/zinc/71/62/66/808716266.db2.gz APSSDRVMVZWKHV-QWRGUYRKSA-N 1 2 282.290 2.302 20 30 CEEDLO C=CC[C@@](C)([NH2+][C@H]1Cc2cccc(F)c2C1)C(=O)OC ZINC001171789574 815237123 /nfs/dbraw/zinc/23/71/23/815237123.db2.gz ACQQKMIPNFBDJY-BLLLJJGKSA-N 1 2 277.339 2.390 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001272893251 808845815 /nfs/dbraw/zinc/84/58/15/808845815.db2.gz KIWYNSFFVHQTKR-HZPDHXFCSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001272893251 808845823 /nfs/dbraw/zinc/84/58/23/808845823.db2.gz KIWYNSFFVHQTKR-HZPDHXFCSA-N 1 2 296.455 2.452 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001032772463 808855523 /nfs/dbraw/zinc/85/55/23/808855523.db2.gz PKBCLZOOCLHZFC-GJZGRUSLSA-N 1 2 293.370 2.090 20 30 CEEDLO 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CNEDHRUVVLGIHH-UHFFFAOYSA-N 1 2 295.386 2.420 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001043381206 811370018 /nfs/dbraw/zinc/37/00/18/811370018.db2.gz RLMUHXKSRHHLFT-OAHLLOKOSA-N 1 2 294.439 2.300 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC001043566943 811385594 /nfs/dbraw/zinc/38/55/94/811385594.db2.gz XQRZOYUERSUIGP-QWHCGFSZSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001043843611 811411536 /nfs/dbraw/zinc/41/15/36/811411536.db2.gz NGEZZZUBQFADMT-NSHDSACASA-N 1 2 264.394 2.180 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCO[C@H](CC)C2)C1 ZINC001044154613 811447033 /nfs/dbraw/zinc/44/70/33/811447033.db2.gz YFDVRVLNUKNQBF-GDBMZVCRSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncccc2Cl)C1 ZINC001044210514 811454549 /nfs/dbraw/zinc/45/45/49/811454549.db2.gz OOLYNDXWHIVQKL-UHFFFAOYSA-N 1 2 279.771 2.067 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(F)cccc2Cl)C1 ZINC001044223991 811457851 /nfs/dbraw/zinc/45/78/51/811457851.db2.gz IQTZEGWFXIPTPS-UHFFFAOYSA-N 1 2 296.773 2.350 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001044227540 811459162 /nfs/dbraw/zinc/45/91/62/811459162.db2.gz NPRFVESYRQCGGY-UHFFFAOYSA-N 1 2 258.365 2.246 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001044318643 811468057 /nfs/dbraw/zinc/46/80/57/811468057.db2.gz LVPGHFHNRCYOEK-LLVKDONJSA-N 1 2 294.345 2.397 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001044310699 811469106 /nfs/dbraw/zinc/46/91/06/811469106.db2.gz BBOYCVZOSVIQJH-UHFFFAOYSA-N 1 2 288.366 2.222 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001044349735 811474221 /nfs/dbraw/zinc/47/42/21/811474221.db2.gz GBVJBXJJEWPPGT-UHFFFAOYSA-N 1 2 285.347 2.078 20 30 CEEDLO C[C@@H](CCCC#N)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001172492140 815451416 /nfs/dbraw/zinc/45/14/16/815451416.db2.gz IXFUNYRHCYGHOM-VIFPVBQESA-N 1 2 287.289 2.195 20 30 CEEDLO C[C@@H](CCCC#N)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001172492140 815451419 /nfs/dbraw/zinc/45/14/19/815451419.db2.gz IXFUNYRHCYGHOM-VIFPVBQESA-N 1 2 287.289 2.195 20 30 CEEDLO C=CCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001122950810 815457988 /nfs/dbraw/zinc/45/79/88/815457988.db2.gz ORFYKZWHBKPABN-YPMHNXCESA-N 1 2 274.368 2.153 20 30 CEEDLO N#CCc1ccc(NC[C@@H](CO)Cc2ccccc2)[nH+]c1 ZINC001169895530 811702984 /nfs/dbraw/zinc/70/29/84/811702984.db2.gz COPUHDBFMSIZCM-INIZCTEOSA-N 1 2 281.359 2.411 20 30 CEEDLO C=CCCCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109223801 811847220 /nfs/dbraw/zinc/84/72/20/811847220.db2.gz KQOAICCETMGEEX-LBPRGKRZSA-N 1 2 276.384 2.082 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(F)F ZINC001049273790 812103709 /nfs/dbraw/zinc/10/37/09/812103709.db2.gz IWDGWXJEUXEEHK-GHMZBOCLSA-N 1 2 292.757 2.459 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(F)F ZINC001049273790 812103716 /nfs/dbraw/zinc/10/37/16/812103716.db2.gz IWDGWXJEUXEEHK-GHMZBOCLSA-N 1 2 292.757 2.459 20 30 CEEDLO C=CC[C@@](C)([NH2+][C@@H](C)CCC(=O)OC(C)C)C(=O)OC ZINC001172748538 815502353 /nfs/dbraw/zinc/50/23/53/815502353.db2.gz DZWGBHAATUOAFZ-SWLSCSKDSA-N 1 2 285.384 2.204 20 30 CEEDLO C=CCCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001112995909 812137089 /nfs/dbraw/zinc/13/70/89/812137089.db2.gz IIMSBRMQHHGVOZ-WDEREUQCSA-N 1 2 262.357 2.056 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC001113197791 812183545 /nfs/dbraw/zinc/18/35/45/812183545.db2.gz ANBKZDJVWLJDEX-UHFFFAOYSA-N 1 2 296.455 2.406 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](Cc2cnccc2C)CC1 ZINC001113279846 812204255 /nfs/dbraw/zinc/20/42/55/812204255.db2.gz JSJKZOXCDGAUKI-UHFFFAOYSA-N 1 2 287.407 2.391 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001113307694 812212932 /nfs/dbraw/zinc/21/29/32/812212932.db2.gz MOCAGFPJWJBNLS-DOTOQJQBSA-N 1 2 294.439 2.160 20 30 CEEDLO C=CCCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097244687 812347551 /nfs/dbraw/zinc/34/75/51/812347551.db2.gz MUJFRIIFHUQPNL-BETUJISGSA-N 1 2 274.368 2.200 20 30 CEEDLO C=CCCC(=O)N1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001097364921 812359578 /nfs/dbraw/zinc/35/95/78/812359578.db2.gz ZTOLHTSATXTLLA-AWEZNQCLSA-N 1 2 288.395 2.402 20 30 CEEDLO COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001172785697 815522147 /nfs/dbraw/zinc/52/21/47/815522147.db2.gz ZPYAXBUFLCDMAH-AVGNSLFASA-N 1 2 250.342 2.096 20 30 CEEDLO C=C(C)[C@H](CC(=O)OCc1c[nH+]cn1CC)OCC ZINC001123472245 815522177 /nfs/dbraw/zinc/52/21/77/815522177.db2.gz GDJUBBBRHDLZAE-ZDUSSCGKSA-N 1 2 266.341 2.318 20 30 CEEDLO COC(=O)[C@H]1CCC[C@H]([N@H+]2CCC[C@H]2C#N)CC1 ZINC001172785697 815522149 /nfs/dbraw/zinc/52/21/49/815522149.db2.gz ZPYAXBUFLCDMAH-AVGNSLFASA-N 1 2 250.342 2.096 20 30 CEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@](C)(C=C)CC)CCO2 ZINC001053411280 812502266 /nfs/dbraw/zinc/50/22/66/812502266.db2.gz INLWFJURBPCPLW-INIZCTEOSA-N 1 2 292.423 2.078 20 30 CEEDLO Cc1nsc(N(C)C(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001129711217 812507449 /nfs/dbraw/zinc/50/74/49/812507449.db2.gz KKPGQTYEQLUDIJ-UHFFFAOYSA-N 1 2 297.343 2.248 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccoc3)cc2C1 ZINC001054256166 812555488 /nfs/dbraw/zinc/55/54/88/812555488.db2.gz PUMNIYMNUGTNOC-UHFFFAOYSA-N 1 2 280.327 2.158 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccoc3)cc2C1 ZINC001054256166 812555490 /nfs/dbraw/zinc/55/54/90/812555490.db2.gz PUMNIYMNUGTNOC-UHFFFAOYSA-N 1 2 280.327 2.158 20 30 CEEDLO Cc1c(CN2CC[C@@H]3SC(=O)C=C3C2)[nH+]c2ccccn12 ZINC001137269568 812563202 /nfs/dbraw/zinc/56/32/02/812563202.db2.gz SANADCNMSKYBPB-AWEZNQCLSA-N 1 2 299.399 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CSC)CC[C@H]1C ZINC001131779316 812726953 /nfs/dbraw/zinc/72/69/53/812726953.db2.gz CNMKFDFVQNOVSV-MNOVXSKESA-N 1 2 276.833 2.071 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CSC)CC[C@H]1C ZINC001131779316 812726957 /nfs/dbraw/zinc/72/69/57/812726957.db2.gz CNMKFDFVQNOVSV-MNOVXSKESA-N 1 2 276.833 2.071 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001056750375 812746756 /nfs/dbraw/zinc/74/67/56/812746756.db2.gz DKEGCWOXEXNYFO-CYBMUJFWSA-N 1 2 288.395 2.400 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001056766598 812747403 /nfs/dbraw/zinc/74/74/03/812747403.db2.gz AYBMITPLYDDSKI-CJNGLKHVSA-N 1 2 288.395 2.400 20 30 CEEDLO CCN(C)c1cc(C)[nH+]c(NC=CC(=O)C(F)(F)F)n1 ZINC001158556998 812795572 /nfs/dbraw/zinc/79/55/72/812795572.db2.gz QDFYXECCCPPBHV-AATRIKPKSA-N 1 2 288.273 2.298 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(C)c1 ZINC001051165845 812884343 /nfs/dbraw/zinc/88/43/43/812884343.db2.gz LPZQCPXMOALSSP-CQSZACIVSA-N 1 2 294.420 2.063 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(C)c1 ZINC001051165845 812884351 /nfs/dbraw/zinc/88/43/51/812884351.db2.gz LPZQCPXMOALSSP-CQSZACIVSA-N 1 2 294.420 2.063 20 30 CEEDLO C=CCC(CC=C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098068835 813146687 /nfs/dbraw/zinc/14/66/87/813146687.db2.gz AHTTXVDCXCFARJ-LBPRGKRZSA-N 1 2 288.395 2.470 20 30 CEEDLO C=CCCCNc1ccc(CN2C(=O)CCC2=O)c[nH+]1 ZINC001159262253 813325655 /nfs/dbraw/zinc/32/56/55/813325655.db2.gz KHPHQKIQWVAXSZ-UHFFFAOYSA-N 1 2 273.336 2.109 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)CC[C@@H]1C ZINC001071343332 813371681 /nfs/dbraw/zinc/37/16/81/813371681.db2.gz WVKSILBCJCCIRK-RYUDHWBXSA-N 1 2 281.787 2.350 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)CC[C@@H]1C ZINC001071343332 813371687 /nfs/dbraw/zinc/37/16/87/813371687.db2.gz WVKSILBCJCCIRK-RYUDHWBXSA-N 1 2 281.787 2.350 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cscn2)CC[C@@H]1C ZINC001071377802 813381779 /nfs/dbraw/zinc/38/17/79/813381779.db2.gz GKHRNSPKHCSIHW-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cscn2)CC[C@@H]1C ZINC001071377802 813381784 /nfs/dbraw/zinc/38/17/84/813381784.db2.gz GKHRNSPKHCSIHW-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO Cc1nnc(C[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000399283469 813708099 /nfs/dbraw/zinc/70/80/99/813708099.db2.gz YEYBANYHAJGEPN-UHFFFAOYSA-N 1 2 258.350 2.202 20 30 CEEDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2C#N)CC[C@H]1O ZINC001143716186 813863709 /nfs/dbraw/zinc/86/37/09/813863709.db2.gz GKKIUIBFCOHQFS-IINYFYTJSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@H]1O ZINC001143716186 813863715 /nfs/dbraw/zinc/86/37/15/813863715.db2.gz GKKIUIBFCOHQFS-IINYFYTJSA-N 1 2 264.756 2.414 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(C)C ZINC001171178292 814059648 /nfs/dbraw/zinc/05/96/48/814059648.db2.gz FCKLRXGKVCAFGU-DOMZBBRYSA-N 1 2 274.364 2.276 20 30 CEEDLO CCOC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171180953 814068472 /nfs/dbraw/zinc/06/84/72/814068472.db2.gz FENIAMGWKCRHJR-NEPJUHHUSA-N 1 2 260.337 2.030 20 30 CEEDLO C=CCCC(=O)N(CC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102781347 814427325 /nfs/dbraw/zinc/42/73/25/814427325.db2.gz HNURXFARIJXPLJ-CQSZACIVSA-N 1 2 288.395 2.178 20 30 CEEDLO 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2.275 20 30 CEEDLO O=C1C=C2C[N@@H+]([C@H]3CCc4ncsc4C3)CC[C@H]2S1 ZINC001173131402 815592911 /nfs/dbraw/zinc/59/29/11/815592911.db2.gz GVNFYCQYRBILOW-CMPLNLGQSA-N 1 2 292.429 2.275 20 30 CEEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC(Oc2ccccc2)CC1 ZINC001173199905 815618506 /nfs/dbraw/zinc/61/85/06/815618506.db2.gz KKGFKAFBCCTJHC-ISXOHVOVSA-N 1 2 285.391 2.174 20 30 CEEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC001124651783 815625890 /nfs/dbraw/zinc/62/58/90/815625890.db2.gz ZLVBDGMYRADSNV-LBPRGKRZSA-N 1 2 294.399 2.145 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cccc(F)c3O)CC[C@@H]2S1 ZINC001138123697 815731507 /nfs/dbraw/zinc/73/15/07/815731507.db2.gz HWCUKGNYHSHKIH-LBPRGKRZSA-N 1 2 279.336 2.305 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cccc(F)c3O)CC[C@@H]2S1 ZINC001138123697 815731512 /nfs/dbraw/zinc/73/15/12/815731512.db2.gz HWCUKGNYHSHKIH-LBPRGKRZSA-N 1 2 279.336 2.305 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=COCCC1)C2 ZINC001095226034 815751880 /nfs/dbraw/zinc/75/18/80/815751880.db2.gz 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345318333 /nfs/dbraw/zinc/31/83/33/345318333.db2.gz GKWDVCUIJLXDFD-SFHVURJKSA-N 1 2 293.370 2.435 20 30 CEEDLO N#Cc1cccc2c1CCN2C(=O)CCCn1cc[nH+]c1 ZINC000591520728 345262507 /nfs/dbraw/zinc/26/25/07/345262507.db2.gz BCENFRIZZZHXTF-UHFFFAOYSA-N 1 2 280.331 2.124 20 30 CEEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1C1CC1 ZINC000591774865 345280046 /nfs/dbraw/zinc/28/00/46/345280046.db2.gz DNLHNKUJFATAGL-MRXNPFEDSA-N 1 2 287.407 2.491 20 30 CEEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1C1CC1 ZINC000591774865 345280051 /nfs/dbraw/zinc/28/00/51/345280051.db2.gz DNLHNKUJFATAGL-MRXNPFEDSA-N 1 2 287.407 2.491 20 30 CEEDLO N#CC[C@]1(O)CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000591976833 345309574 /nfs/dbraw/zinc/30/95/74/345309574.db2.gz XGLIBCNHLAPVNB-HNNXBMFYSA-N 1 2 271.295 2.229 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cccc(C#N)n1 ZINC000592262823 345341160 /nfs/dbraw/zinc/34/11/60/345341160.db2.gz DBLVWPHBBPJNSL-JTQLQIEISA-N 1 2 284.323 2.052 20 30 CEEDLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592147252 345329543 /nfs/dbraw/zinc/32/95/43/345329543.db2.gz KKPWLQRGVNAOSA-AWEZNQCLSA-N 1 2 279.409 2.291 20 30 CEEDLO CC(C)(C)c1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592147252 345329544 /nfs/dbraw/zinc/32/95/44/345329544.db2.gz KKPWLQRGVNAOSA-AWEZNQCLSA-N 1 2 279.409 2.291 20 30 CEEDLO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(Cl)c1 ZINC000592150812 345330357 /nfs/dbraw/zinc/33/03/57/345330357.db2.gz HBNCSGPMVDZLCL-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(Cl)c1 ZINC000592150812 345330359 /nfs/dbraw/zinc/33/03/59/345330359.db2.gz HBNCSGPMVDZLCL-AWEZNQCLSA-N 1 2 280.755 2.199 20 30 CEEDLO CCC(CC)n1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592150429 345330516 /nfs/dbraw/zinc/33/05/16/345330516.db2.gz CIGLFUKOXDCKHS-OAHLLOKOSA-N 1 2 276.384 2.095 20 30 CEEDLO CCC(CC)n1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592150429 345330517 /nfs/dbraw/zinc/33/05/17/345330517.db2.gz CIGLFUKOXDCKHS-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/51/45/71/345514571.db2.gz QUNQSIFSZBZMAR-MJBXVCDLSA-N 1 2 267.369 2.065 20 30 CEEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C[NH+]1CC(C)(C)C1 ZINC000594373679 345618340 /nfs/dbraw/zinc/61/83/40/345618340.db2.gz XGESSPVPVTVNJF-UHFFFAOYSA-N 1 2 297.362 2.023 20 30 CEEDLO CC1(C)C[NH+](CC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594403786 345621737 /nfs/dbraw/zinc/62/17/37/345621737.db2.gz ONWNBQMZRXCDCH-UHFFFAOYSA-N 1 2 297.402 2.395 20 30 CEEDLO Cc1cnn(C)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594616042 345662774 /nfs/dbraw/zinc/66/27/74/345662774.db2.gz WOVZTAPNTSNUCG-UHFFFAOYSA-N 1 2 252.321 2.116 20 30 CEEDLO Cc1cnn(C)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594616042 345662775 /nfs/dbraw/zinc/66/27/75/345662775.db2.gz WOVZTAPNTSNUCG-UHFFFAOYSA-N 1 2 252.321 2.116 20 30 CEEDLO Cc1c[nH+]c(CCNc2cnc(C#N)cn2)c(C)c1 ZINC000594597689 345655549 /nfs/dbraw/zinc/65/55/49/345655549.db2.gz YGANPGRQSWKUIC-UHFFFAOYSA-N 1 2 253.309 2.015 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000059489111 362649510 /nfs/dbraw/zinc/64/95/10/362649510.db2.gz HRIONFDZJZKDLR-UHFFFAOYSA-N 1 2 287.363 2.258 20 30 CEEDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)c2ncnn21 ZINC000594956540 345715684 /nfs/dbraw/zinc/71/56/84/345715684.db2.gz KAYSNDLYBZEQLQ-KCJUWKMLSA-N 1 2 259.338 2.007 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000595564499 345814678 /nfs/dbraw/zinc/81/46/78/345814678.db2.gz ZTOJOMCCYOHRCG-CQSZACIVSA-N 1 2 273.361 2.147 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000595564499 345814679 /nfs/dbraw/zinc/81/46/79/345814679.db2.gz ZTOJOMCCYOHRCG-CQSZACIVSA-N 1 2 273.361 2.147 20 30 CEEDLO COc1cccc(C[NH+]2CCN(CCC#N)CC2)c1Cl ZINC000595391028 345773098 /nfs/dbraw/zinc/77/30/98/345773098.db2.gz CDGXEBAQYRNJAA-UHFFFAOYSA-N 1 2 293.798 2.380 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@](C)(C#N)C3)cn21 ZINC000595514283 345801465 /nfs/dbraw/zinc/80/14/65/345801465.db2.gz CNNCYZVVKIGKFZ-INIZCTEOSA-N 1 2 297.362 2.088 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ncns2)CC1 ZINC000595517631 345802119 /nfs/dbraw/zinc/80/21/19/345802119.db2.gz XCAGZKCXNDHHIP-LBPRGKRZSA-N 1 2 299.403 2.293 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000595669328 345844273 /nfs/dbraw/zinc/84/42/73/345844273.db2.gz UTMBFJLCTFBTHP-UHFFFAOYSA-N 1 2 287.363 2.261 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000595669328 345844276 /nfs/dbraw/zinc/84/42/76/345844276.db2.gz UTMBFJLCTFBTHP-UHFFFAOYSA-N 1 2 287.363 2.261 20 30 CEEDLO COC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(OC)c1 ZINC000595683733 345847965 /nfs/dbraw/zinc/84/79/65/345847965.db2.gz JUCKVMYNPOVDIP-AWEZNQCLSA-N 1 2 260.337 2.276 20 30 CEEDLO C[C@H](C#N)N(C[C@H](C)C[N@H+]([C@@H](C)C#N)C1CC1)C1CC1 ZINC000595712033 345857638 /nfs/dbraw/zinc/85/76/38/345857638.db2.gz FNYSBXYPSKPBSV-BTTYYORXSA-N 1 2 274.412 2.375 20 30 CEEDLO C[C@H](C#N)N(C[C@H](C)C[N@@H+]([C@@H](C)C#N)C1CC1)C1CC1 ZINC000595712033 345857640 /nfs/dbraw/zinc/85/76/40/345857640.db2.gz FNYSBXYPSKPBSV-BTTYYORXSA-N 1 2 274.412 2.375 20 30 CEEDLO C[C@H](CN([C@@H](C)C#N)C1CC1)C[N@H+]([C@H](C)C#N)C1CC1 ZINC000595712033 345857642 /nfs/dbraw/zinc/85/76/42/345857642.db2.gz FNYSBXYPSKPBSV-BTTYYORXSA-N 1 2 274.412 2.375 20 30 CEEDLO C[C@H](CN([C@@H](C)C#N)C1CC1)C[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595712033 345857644 /nfs/dbraw/zinc/85/76/44/345857644.db2.gz FNYSBXYPSKPBSV-BTTYYORXSA-N 1 2 274.412 2.375 20 30 CEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595614698 345828237 /nfs/dbraw/zinc/82/82/37/345828237.db2.gz MPZMGQWINOTREM-RYUDHWBXSA-N 1 2 278.356 2.293 20 30 CEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595614698 345828239 /nfs/dbraw/zinc/82/82/39/345828239.db2.gz MPZMGQWINOTREM-RYUDHWBXSA-N 1 2 278.356 2.293 20 30 CEEDLO Cc1cccn2cc(CN3CC[C@@](C)(C#N)C3)[nH+]c12 ZINC000595832606 345889530 /nfs/dbraw/zinc/88/95/30/345889530.db2.gz CICMFRFNZAWBSV-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834017 345890025 /nfs/dbraw/zinc/89/00/25/345890025.db2.gz JKLHACBHDYKURY-IUODEOHRSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834017 345890026 /nfs/dbraw/zinc/89/00/26/345890026.db2.gz JKLHACBHDYKURY-IUODEOHRSA-N 1 2 263.385 2.059 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833291 345890576 /nfs/dbraw/zinc/89/05/76/345890576.db2.gz BXDZEGDQRZJADW-UMVBOHGHSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833291 345890580 /nfs/dbraw/zinc/89/05/80/345890580.db2.gz BXDZEGDQRZJADW-UMVBOHGHSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000595839166 345893562 /nfs/dbraw/zinc/89/35/62/345893562.db2.gz CJKMNLLYEDBEPK-DOTOQJQBSA-N 1 2 283.375 2.242 20 30 CEEDLO C[C@]1(C#N)CC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000595839166 345893565 /nfs/dbraw/zinc/89/35/65/345893565.db2.gz CJKMNLLYEDBEPK-DOTOQJQBSA-N 1 2 283.375 2.242 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000595839576 345894472 /nfs/dbraw/zinc/89/44/72/345894472.db2.gz JQVWOLGQISRBKJ-OAHLLOKOSA-N 1 2 255.321 2.173 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000595839576 345894474 /nfs/dbraw/zinc/89/44/74/345894474.db2.gz JQVWOLGQISRBKJ-OAHLLOKOSA-N 1 2 255.321 2.173 20 30 CEEDLO COc1ccccc1OCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839841 345894537 /nfs/dbraw/zinc/89/45/37/345894537.db2.gz MIRGSLCKPQZAML-OAHLLOKOSA-N 1 2 260.337 2.310 20 30 CEEDLO COc1ccccc1OCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839841 345894540 /nfs/dbraw/zinc/89/45/40/345894540.db2.gz MIRGSLCKPQZAML-OAHLLOKOSA-N 1 2 260.337 2.310 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000595839978 345894560 /nfs/dbraw/zinc/89/45/60/345894560.db2.gz NEADLYLNOXRUPK-HNNXBMFYSA-N 1 2 258.321 2.193 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000595839978 345894561 /nfs/dbraw/zinc/89/45/61/345894561.db2.gz NEADLYLNOXRUPK-HNNXBMFYSA-N 1 2 258.321 2.193 20 30 CEEDLO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595843716 345896447 /nfs/dbraw/zinc/89/64/47/345896447.db2.gz MSICSPYIIVAQLA-CZUORRHYSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)(C)CN1CCC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1=O ZINC000595843716 345896449 /nfs/dbraw/zinc/89/64/49/345896449.db2.gz MSICSPYIIVAQLA-CZUORRHYSA-N 1 2 277.412 2.259 20 30 CEEDLO N#CCCOCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595759830 345869642 /nfs/dbraw/zinc/86/96/42/345869642.db2.gz ONOWRNNXQOSYSQ-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CCCOCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595759830 345869645 /nfs/dbraw/zinc/86/96/45/345869645.db2.gz ONOWRNNXQOSYSQ-OAHLLOKOSA-N 1 2 278.327 2.129 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779697 345874346 /nfs/dbraw/zinc/87/43/46/345874346.db2.gz GFRXRAVHROUIMX-NEPJUHHUSA-N 1 2 289.335 2.466 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779697 345874349 /nfs/dbraw/zinc/87/43/49/345874349.db2.gz GFRXRAVHROUIMX-NEPJUHHUSA-N 1 2 289.335 2.466 20 30 CEEDLO Cc1c(-c2cc(C[N@@H+]3CC[C@](C)(C#N)C3)on2)cnn1C ZINC000595844542 345896911 /nfs/dbraw/zinc/89/69/11/345896911.db2.gz UPRQZQQHRHWJCQ-OAHLLOKOSA-N 1 2 285.351 2.119 20 30 CEEDLO Cc1c(-c2cc(C[N@H+]3CC[C@](C)(C#N)C3)on2)cnn1C ZINC000595844542 345896914 /nfs/dbraw/zinc/89/69/14/345896914.db2.gz UPRQZQQHRHWJCQ-OAHLLOKOSA-N 1 2 285.351 2.119 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)s1 ZINC000595902013 345909925 /nfs/dbraw/zinc/90/99/25/345909925.db2.gz DUZHOYHJWCOTIZ-UHFFFAOYSA-N 1 2 297.383 2.277 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)s1 ZINC000595902013 345909926 /nfs/dbraw/zinc/90/99/26/345909926.db2.gz DUZHOYHJWCOTIZ-UHFFFAOYSA-N 1 2 297.383 2.277 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@](C)(C(F)F)O1 ZINC000595921880 345913809 /nfs/dbraw/zinc/91/38/09/345913809.db2.gz YZASNLYMFFMDDD-QMTHXVAHSA-N 1 2 281.306 2.198 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@](C)(C(F)F)O1 ZINC000595921880 345913810 /nfs/dbraw/zinc/91/38/10/345913810.db2.gz YZASNLYMFFMDDD-QMTHXVAHSA-N 1 2 281.306 2.198 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc(C#N)c(Cl)s1 ZINC000596258221 345982883 /nfs/dbraw/zinc/98/28/83/345982883.db2.gz XYUQAJHKBGKCDR-SSDOTTSWSA-N 1 2 281.772 2.480 20 30 CEEDLO Cc1cc(NC[C@@H](C)c2ccccn2)c(C#N)c[nH+]1 ZINC000596313994 345997186 /nfs/dbraw/zinc/99/71/86/345997186.db2.gz XIAFPVRVWQPQNI-LLVKDONJSA-N 1 2 252.321 2.294 20 30 CEEDLO CC(C)c1nc(N2CCC[C@H](CC#N)C2)nc(N(C)C)[nH+]1 ZINC000596330219 346001191 /nfs/dbraw/zinc/00/11/91/346001191.db2.gz RCKWDIFRUSFELE-GFCCVEGCSA-N 1 2 288.399 2.191 20 30 CEEDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC000596330219 346001192 /nfs/dbraw/zinc/00/11/92/346001192.db2.gz RCKWDIFRUSFELE-GFCCVEGCSA-N 1 2 288.399 2.191 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596744518 346083170 /nfs/dbraw/zinc/08/31/70/346083170.db2.gz IGDSQZTZIBMJBT-AWEZNQCLSA-N 1 2 294.358 2.045 20 30 CEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596744518 346083171 /nfs/dbraw/zinc/08/31/71/346083171.db2.gz IGDSQZTZIBMJBT-AWEZNQCLSA-N 1 2 294.358 2.045 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)s1 ZINC000596592457 346062038 /nfs/dbraw/zinc/06/20/38/346062038.db2.gz GEIQGQHUETZOSW-UHFFFAOYSA-N 1 2 258.350 2.291 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)s1 ZINC000596592457 346062040 /nfs/dbraw/zinc/06/20/40/346062040.db2.gz GEIQGQHUETZOSW-UHFFFAOYSA-N 1 2 258.350 2.291 20 30 CEEDLO N#CC1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCC1 ZINC000596948551 346108820 /nfs/dbraw/zinc/10/88/20/346108820.db2.gz JXVSWYPDMGCFPV-CQSZACIVSA-N 1 2 294.358 2.494 20 30 CEEDLO Cc1cn2ccc(NC(=O)NCC3(CC#N)CC3)cc2[nH+]1 ZINC000597130520 346132813 /nfs/dbraw/zinc/13/28/13/346132813.db2.gz RPTCXUOGGHWPHC-UHFFFAOYSA-N 1 2 283.335 2.458 20 30 CEEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000597258540 346164076 /nfs/dbraw/zinc/16/40/76/346164076.db2.gz PGAODLHPCBFVMW-VPWBDBDCSA-N 1 2 286.379 2.112 20 30 CEEDLO CCOc1c(OC)cc(C[NH+]2CC(CC#N)C2)cc1OC ZINC000597194673 346146378 /nfs/dbraw/zinc/14/63/78/346146378.db2.gz WWXUNTMEADNQEM-UHFFFAOYSA-N 1 2 290.363 2.448 20 30 CEEDLO COc1cc(F)c(C[NH+]2CC(CC#N)C2)cc1OC ZINC000597203552 346148195 /nfs/dbraw/zinc/14/81/95/346148195.db2.gz KOEYTWPBHDLETJ-UHFFFAOYSA-N 1 2 264.300 2.188 20 30 CEEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc(OC)c1OC ZINC000597230139 346155838 /nfs/dbraw/zinc/15/58/38/346155838.db2.gz PWIQPXYEUGIRDI-MRXNPFEDSA-N 1 2 290.363 2.448 20 30 CEEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc(OC)c1OC ZINC000597230139 346155841 /nfs/dbraw/zinc/15/58/41/346155841.db2.gz PWIQPXYEUGIRDI-MRXNPFEDSA-N 1 2 290.363 2.448 20 30 CEEDLO Cn1ncc(C2CCC2)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231376 346156228 /nfs/dbraw/zinc/15/62/28/346156228.db2.gz MDUKAGICMMBHFO-HNNXBMFYSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231376 346156230 /nfs/dbraw/zinc/15/62/30/346156230.db2.gz MDUKAGICMMBHFO-HNNXBMFYSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2sc1=O ZINC000597232744 346156694 /nfs/dbraw/zinc/15/66/94/346156694.db2.gz WQPSSVRCMGQONT-OAHLLOKOSA-N 1 2 287.388 2.336 20 30 CEEDLO Cn1c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc2sc1=O ZINC000597232744 346156698 /nfs/dbraw/zinc/15/66/98/346156698.db2.gz WQPSSVRCMGQONT-OAHLLOKOSA-N 1 2 287.388 2.336 20 30 CEEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C#N ZINC000597567235 346202349 /nfs/dbraw/zinc/20/23/49/346202349.db2.gz CEKLIJQZHJEFCA-BXUZGUMPSA-N 1 2 286.379 2.055 20 30 CEEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C#N ZINC000597567235 346202352 /nfs/dbraw/zinc/20/23/52/346202352.db2.gz CEKLIJQZHJEFCA-BXUZGUMPSA-N 1 2 286.379 2.055 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000597569266 346203195 /nfs/dbraw/zinc/20/31/95/346203195.db2.gz TZLWAULLMQLENN-BZPMIXESSA-N 1 2 286.379 2.064 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597957468 346258323 /nfs/dbraw/zinc/25/83/23/346258323.db2.gz XNTSEOVKTJPMSE-UHFFFAOYSA-N 1 2 282.347 2.184 20 30 CEEDLO Cc1[nH]c[nH+]c1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597957468 346258326 /nfs/dbraw/zinc/25/83/26/346258326.db2.gz XNTSEOVKTJPMSE-UHFFFAOYSA-N 1 2 282.347 2.184 20 30 CEEDLO CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)[C@H](C)C#N ZINC000598352686 346334964 /nfs/dbraw/zinc/33/49/64/346334964.db2.gz LOAQJUHZIQNDJX-LLVKDONJSA-N 1 2 270.336 2.105 20 30 CEEDLO N#CC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000598310169 346323836 /nfs/dbraw/zinc/32/38/36/346323836.db2.gz JICPPTPNVDVGKW-ZDUSSCGKSA-N 1 2 286.379 2.036 20 30 CEEDLO C[C@@]1(C#N)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000598413983 346351005 /nfs/dbraw/zinc/35/10/05/346351005.db2.gz ZIUPGKLOVOEYBU-KRWDZBQOSA-N 1 2 294.358 2.307 20 30 CEEDLO Cn1ccnc1[C@H]1[N@H+](C[C@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598622124 346386173 /nfs/dbraw/zinc/38/61/73/346386173.db2.gz ZNNWWKHJRXLODP-CHWSQXEVSA-N 1 2 290.411 2.104 20 30 CEEDLO Cn1ccnc1[C@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598622124 346386176 /nfs/dbraw/zinc/38/61/76/346386176.db2.gz ZNNWWKHJRXLODP-CHWSQXEVSA-N 1 2 290.411 2.104 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000351723493 219187339 /nfs/dbraw/zinc/18/73/39/219187339.db2.gz PEXANLKWXAQMQY-UHFFFAOYSA-N 1 2 290.326 2.444 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C(F)F)ccc1F ZINC000598837841 346425731 /nfs/dbraw/zinc/42/57/31/346425731.db2.gz YRTQTUCLRNPWFI-AWEZNQCLSA-N 1 2 299.296 2.337 20 30 CEEDLO Cc1cc(NCc2c(C(F)(F)F)cnn2C)c(C#N)c[nH+]1 ZINC000599123178 346463223 /nfs/dbraw/zinc/46/32/23/346463223.db2.gz AXYBJJBBDWLWHV-UHFFFAOYSA-N 1 2 295.268 2.048 20 30 CEEDLO N#CCc1cccc2c1CCN(c1nc[nH+]c(N)c1Cl)C2 ZINC000599195128 346477593 /nfs/dbraw/zinc/47/75/93/346477593.db2.gz OIPZKAUVWJIODH-UHFFFAOYSA-N 1 2 299.765 2.341 20 30 CEEDLO COC(=O)CCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000599385021 346511693 /nfs/dbraw/zinc/51/16/93/346511693.db2.gz GQBJRAWSGQQKCL-GFCCVEGCSA-N 1 2 252.358 2.344 20 30 CEEDLO COC(=O)CCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000599385021 346511694 /nfs/dbraw/zinc/51/16/94/346511694.db2.gz GQBJRAWSGQQKCL-GFCCVEGCSA-N 1 2 252.358 2.344 20 30 CEEDLO COc1cncc(C[N@H+](CCC#N)CC(C)(C)C)n1 ZINC000599296928 346492954 /nfs/dbraw/zinc/49/29/54/346492954.db2.gz GZAZDWUCJQBZMI-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO COc1cncc(C[N@@H+](CCC#N)CC(C)(C)C)n1 ZINC000599296928 346492956 /nfs/dbraw/zinc/49/29/56/346492956.db2.gz GZAZDWUCJQBZMI-UHFFFAOYSA-N 1 2 262.357 2.247 20 30 CEEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675749 346561726 /nfs/dbraw/zinc/56/17/26/346561726.db2.gz NQJVTPUYCGHDMD-AWEZNQCLSA-N 1 2 299.418 2.271 20 30 CEEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675749 346561729 /nfs/dbraw/zinc/56/17/29/346561729.db2.gz NQJVTPUYCGHDMD-AWEZNQCLSA-N 1 2 299.418 2.271 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000599475613 346525580 /nfs/dbraw/zinc/52/55/80/346525580.db2.gz UORXHLSYMZMLEI-ZBFHGGJFSA-N 1 2 275.396 2.156 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000599475613 346525584 /nfs/dbraw/zinc/52/55/84/346525584.db2.gz UORXHLSYMZMLEI-ZBFHGGJFSA-N 1 2 275.396 2.156 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602609654 347100521 /nfs/dbraw/zinc/10/05/21/347100521.db2.gz FDCKOBKLFJQYLB-NSHDSACASA-N 1 2 292.383 2.157 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1ccncc1Br ZINC000602613490 347103056 /nfs/dbraw/zinc/10/30/56/347103056.db2.gz KNXZZZWQKHNOIA-UHFFFAOYSA-N 1 2 268.158 2.483 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccncc2C#N)[C@@H](C)C1 ZINC000599689473 346567295 /nfs/dbraw/zinc/56/72/95/346567295.db2.gz FVSNIIOWYLRBJY-DABQJJPHSA-N 1 2 287.363 2.115 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccncc2C#N)[C@@H](C)C1 ZINC000599689473 346567299 /nfs/dbraw/zinc/56/72/99/346567299.db2.gz FVSNIIOWYLRBJY-DABQJJPHSA-N 1 2 287.363 2.115 20 30 CEEDLO C=CCC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600592710 346658226 /nfs/dbraw/zinc/65/82/26/346658226.db2.gz FTCQOOFVKXAACC-CQSZACIVSA-N 1 2 265.328 2.466 20 30 CEEDLO Cn1cc[nH+]c1[C@H]1N(Cc2cccc(C#N)n2)CC1(C)C ZINC000602680509 347140817 /nfs/dbraw/zinc/14/08/17/347140817.db2.gz UMXWELJVUUWTFO-CQSZACIVSA-N 1 2 281.363 2.270 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000602698866 347154795 /nfs/dbraw/zinc/15/47/95/347154795.db2.gz AGAYFQKJGQEFHI-ZDUSSCGKSA-N 1 2 297.337 2.174 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000602698866 347154799 /nfs/dbraw/zinc/15/47/99/347154799.db2.gz AGAYFQKJGQEFHI-ZDUSSCGKSA-N 1 2 297.337 2.174 20 30 CEEDLO COc1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000602704486 347159319 /nfs/dbraw/zinc/15/93/19/347159319.db2.gz GCLIUTXAGUCADE-SNVBAGLBSA-N 1 2 251.355 2.277 20 30 CEEDLO COc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000602704486 347159321 /nfs/dbraw/zinc/15/93/21/347159321.db2.gz GCLIUTXAGUCADE-SNVBAGLBSA-N 1 2 251.355 2.277 20 30 CEEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1(CC#N)CC1 ZINC000602779268 347195116 /nfs/dbraw/zinc/19/51/16/347195116.db2.gz LNXNWGJZRMEIMY-UHFFFAOYSA-N 1 2 292.404 2.216 20 30 CEEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1(CC#N)CC1 ZINC000602779268 347195118 /nfs/dbraw/zinc/19/51/18/347195118.db2.gz LNXNWGJZRMEIMY-UHFFFAOYSA-N 1 2 292.404 2.216 20 30 CEEDLO COC(=O)C1([NH2+]CC2(CC#N)CC2)CCCCC1 ZINC000602782413 347196305 /nfs/dbraw/zinc/19/63/05/347196305.db2.gz PXBBUNWLFXBAOJ-UHFFFAOYSA-N 1 2 250.342 2.146 20 30 CEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000602791795 347200091 /nfs/dbraw/zinc/20/00/91/347200091.db2.gz FAFNYRHIVVLCDZ-HNNXBMFYSA-N 1 2 284.359 2.453 20 30 CEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602791795 347200093 /nfs/dbraw/zinc/20/00/93/347200093.db2.gz FAFNYRHIVVLCDZ-HNNXBMFYSA-N 1 2 284.359 2.453 20 30 CEEDLO CC(C)OC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)C(C)C ZINC000602840754 347220729 /nfs/dbraw/zinc/22/07/29/347220729.db2.gz KVLRXEVVAYCGFG-LBPRGKRZSA-N 1 2 252.358 2.246 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@H](C)N1CC#N ZINC000602849783 347224198 /nfs/dbraw/zinc/22/41/98/347224198.db2.gz NSWMOJXICNGJNI-TXEJJXNPSA-N 1 2 278.787 2.153 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cncc(Cl)c2)C[C@H](C)N1CC#N ZINC000602849783 347224203 /nfs/dbraw/zinc/22/42/03/347224203.db2.gz NSWMOJXICNGJNI-TXEJJXNPSA-N 1 2 278.787 2.153 20 30 CEEDLO CCCCN(CCCC)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602862083 347228800 /nfs/dbraw/zinc/22/88/00/347228800.db2.gz IWBIFMBTDCPJRS-ZDUSSCGKSA-N 1 2 253.390 2.307 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602861615 347228930 /nfs/dbraw/zinc/22/89/30/347228930.db2.gz GQZNLSVQQOPNKK-FRRDWIJNSA-N 1 2 251.374 2.058 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000602869934 347232096 /nfs/dbraw/zinc/23/20/96/347232096.db2.gz QVYAXHKBECMMRM-MRVPVSSYSA-N 1 2 269.707 2.309 20 30 CEEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[C@H](OC)C1 ZINC000602871868 347232899 /nfs/dbraw/zinc/23/28/99/347232899.db2.gz SPHHJRGGRAZALE-HZSPNIEDSA-N 1 2 294.395 2.017 20 30 CEEDLO Cc1cnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)nc1 ZINC000602905806 347243492 /nfs/dbraw/zinc/24/34/92/347243492.db2.gz DEIPSISFLZBYSF-UHFFFAOYSA-N 1 2 293.374 2.431 20 30 CEEDLO CCOC(=O)[C@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911417 347244714 /nfs/dbraw/zinc/24/47/14/347244714.db2.gz ZNLROJYQUUGVAW-LBPRGKRZSA-N 1 2 287.363 2.084 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974661 347261151 /nfs/dbraw/zinc/26/11/51/347261151.db2.gz RPRPBFRJTPXQMM-HZPDHXFCSA-N 1 2 285.391 2.269 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974661 347261154 /nfs/dbraw/zinc/26/11/54/347261154.db2.gz RPRPBFRJTPXQMM-HZPDHXFCSA-N 1 2 285.391 2.269 20 30 CEEDLO C[N@H+](CC(=O)NCc1ccccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602974959 347261259 /nfs/dbraw/zinc/26/12/59/347261259.db2.gz WGNCHXMYUFUVJH-IUODEOHRSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)NCc1ccccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602974959 347261262 /nfs/dbraw/zinc/26/12/62/347261262.db2.gz WGNCHXMYUFUVJH-IUODEOHRSA-N 1 2 289.354 2.066 20 30 CEEDLO COC(=O)c1oc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000602976877 347262042 /nfs/dbraw/zinc/26/20/42/347262042.db2.gz UVFLNOFASSQXDG-DGCLKSJQSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1oc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000602976877 347262045 /nfs/dbraw/zinc/26/20/45/347262045.db2.gz UVFLNOFASSQXDG-DGCLKSJQSA-N 1 2 276.336 2.499 20 30 CEEDLO C[N@H+](CC[S@](=O)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602976209 347262061 /nfs/dbraw/zinc/26/20/61/347262061.db2.gz MPOHJMVSNAUEFY-OHNRDTAOSA-N 1 2 276.405 2.418 20 30 CEEDLO C[N@@H+](CC[S@](=O)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602976209 347262063 /nfs/dbraw/zinc/26/20/63/347262063.db2.gz MPOHJMVSNAUEFY-OHNRDTAOSA-N 1 2 276.405 2.418 20 30 CEEDLO CC(C)N1CCC[C@H]([N@H+](C)[C@H]2CCC[C@@H]2C#N)C1=O ZINC000602977895 347263179 /nfs/dbraw/zinc/26/31/79/347263179.db2.gz INIIIBOBAJDAOJ-RDBSUJKOSA-N 1 2 263.385 2.010 20 30 CEEDLO CC(C)N1CCC[C@H]([N@@H+](C)[C@H]2CCC[C@@H]2C#N)C1=O ZINC000602977895 347263181 /nfs/dbraw/zinc/26/31/81/347263181.db2.gz INIIIBOBAJDAOJ-RDBSUJKOSA-N 1 2 263.385 2.010 20 30 CEEDLO COCc1cc(C#N)ccc1N[C@H](C)Cn1cc[nH+]c1 ZINC000603273757 347326477 /nfs/dbraw/zinc/32/64/77/347326477.db2.gz HYSDAEYQTUSLHK-GFCCVEGCSA-N 1 2 270.336 2.402 20 30 CEEDLO Cn1c[nH+]c(Cn2cc(CC3(C#N)CCCCC3)nn2)c1 ZINC000603221922 347313059 /nfs/dbraw/zinc/31/30/59/347313059.db2.gz IEJZIMWXFYGVSK-UHFFFAOYSA-N 1 2 284.367 2.076 20 30 CEEDLO N#C[C@H](c1ccccc1)n1cc(C[NH+]2CCCCC2)nn1 ZINC000603222516 347313901 /nfs/dbraw/zinc/31/39/01/347313901.db2.gz VBRBALLTSMKNGB-MRXNPFEDSA-N 1 2 281.363 2.377 20 30 CEEDLO COCc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)no1 ZINC000603433252 347369598 /nfs/dbraw/zinc/36/95/98/347369598.db2.gz WEGGRVSVVCPIPS-MRXNPFEDSA-N 1 2 283.331 2.470 20 30 CEEDLO CC[N@@H+](Cc1cc(C(=O)OC)oc1C)C[C@H](C)C#N ZINC000604512188 347418764 /nfs/dbraw/zinc/41/87/64/347418764.db2.gz IHBRILICSUZTSP-SNVBAGLBSA-N 1 2 264.325 2.356 20 30 CEEDLO CC[N@H+](Cc1cc(C(=O)OC)oc1C)C[C@H](C)C#N ZINC000604512188 347418768 /nfs/dbraw/zinc/41/87/68/347418768.db2.gz IHBRILICSUZTSP-SNVBAGLBSA-N 1 2 264.325 2.356 20 30 CEEDLO CC(C)[N@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1 ZINC000336828466 365890228 /nfs/dbraw/zinc/89/02/28/365890228.db2.gz WLPYZFFPBGYPKD-UHFFFAOYSA-N 1 2 269.352 2.097 20 30 CEEDLO CC(C)[N@@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1 ZINC000336828466 365890236 /nfs/dbraw/zinc/89/02/36/365890236.db2.gz WLPYZFFPBGYPKD-UHFFFAOYSA-N 1 2 269.352 2.097 20 30 CEEDLO CN(C(=O)CCCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000609217150 347630471 /nfs/dbraw/zinc/63/04/71/347630471.db2.gz XJHOGTWSDLLWSN-UHFFFAOYSA-N 1 2 286.310 2.337 20 30 CEEDLO Cc1nc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)sc1C ZINC000610787288 347714364 /nfs/dbraw/zinc/71/43/64/347714364.db2.gz IMGAOHQGISSXJS-AWEZNQCLSA-N 1 2 292.452 2.426 20 30 CEEDLO N#Cc1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccn1 ZINC000610993845 347729368 /nfs/dbraw/zinc/72/93/68/347729368.db2.gz DURRIUHTALJBSP-ZDUSSCGKSA-N 1 2 299.296 2.088 20 30 CEEDLO N#CCCN1CC[NH+]([C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000611174194 347747972 /nfs/dbraw/zinc/74/79/72/347747972.db2.gz XRKHUSPDAZJBRX-MRXNPFEDSA-N 1 2 291.345 2.483 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611180372 347749143 /nfs/dbraw/zinc/74/91/43/347749143.db2.gz WXMXDUIJJPCWIO-JTQLQIEISA-N 1 2 297.305 2.294 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c(C#N)c1C ZINC000611180372 347749145 /nfs/dbraw/zinc/74/91/45/347749145.db2.gz WXMXDUIJJPCWIO-JTQLQIEISA-N 1 2 297.305 2.294 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000129992326 365914293 /nfs/dbraw/zinc/91/42/93/365914293.db2.gz UXUFXYDZMHEWSY-NSHDSACASA-N 1 2 278.327 2.469 20 30 CEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000129992326 365914299 /nfs/dbraw/zinc/91/42/99/365914299.db2.gz UXUFXYDZMHEWSY-NSHDSACASA-N 1 2 278.327 2.469 20 30 CEEDLO 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/nfs/dbraw/zinc/85/29/44/347852944.db2.gz KEQVEZMMZPBINN-WBVHZDCISA-N 1 2 285.391 2.442 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)s2)c1 ZINC000612347238 347872297 /nfs/dbraw/zinc/87/22/97/347872297.db2.gz WIGDDLHCVRQJMS-UHFFFAOYSA-N 1 2 272.333 2.333 20 30 CEEDLO C=C[C@H](O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000614263054 348170076 /nfs/dbraw/zinc/17/00/76/348170076.db2.gz JEIGYSAVHSXUFK-INIZCTEOSA-N 1 2 299.374 2.055 20 30 CEEDLO Cc1cncc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000615444892 348328481 /nfs/dbraw/zinc/32/84/81/348328481.db2.gz KZONNWSLLSAXSQ-INIZCTEOSA-N 1 2 272.396 2.056 20 30 CEEDLO Cc1cccc2[nH+]c(CN3CC[C@](F)(C#N)C3)cn21 ZINC000615645281 348365897 /nfs/dbraw/zinc/36/58/97/348365897.db2.gz NHHGSWSKCXBKKK-AWEZNQCLSA-N 1 2 258.300 2.080 20 30 CEEDLO N#Cc1csc(CNc2ccc(-n3cncn3)c[nH+]2)c1 ZINC000616204826 348459343 /nfs/dbraw/zinc/45/93/43/348459343.db2.gz GQTNMNCPQGKVFT-UHFFFAOYSA-N 1 2 282.332 2.208 20 30 CEEDLO C=C[C@H]([NH2+]CCCn1ccc2ccccc21)C(=O)OC 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MFVVFMYFEPNMMP-CYBMUJFWSA-N 1 2 282.351 2.296 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000335120922 364505640 /nfs/dbraw/zinc/50/56/40/364505640.db2.gz XZAKFUZUZHMRQP-LBPRGKRZSA-N 1 2 289.404 2.243 20 30 CEEDLO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCC#N)C1 ZINC000158599104 366858833 /nfs/dbraw/zinc/85/88/33/366858833.db2.gz MJEZCCLNPAIMOJ-GJZGRUSLSA-N 1 2 272.348 2.179 20 30 CEEDLO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CCC#N)C1 ZINC000158599104 366858836 /nfs/dbraw/zinc/85/88/36/366858836.db2.gz MJEZCCLNPAIMOJ-GJZGRUSLSA-N 1 2 272.348 2.179 20 30 CEEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000335351077 364689949 /nfs/dbraw/zinc/68/99/49/364689949.db2.gz XTCBTQMMKZRKKN-GFCCVEGCSA-N 1 2 291.782 2.144 20 30 CEEDLO N#Cc1ccccc1N1CCC[C@@H]([NH2+]Cc2ccn[nH]2)C1 ZINC000109078308 364717852 /nfs/dbraw/zinc/71/78/52/364717852.db2.gz XPCRQIZLIMYEDX-OAHLLOKOSA-N 1 2 281.363 2.040 20 30 CEEDLO CCOC(=O)C(C)(C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000112356385 364799075 /nfs/dbraw/zinc/79/90/75/364799075.db2.gz AUEOCBGVXOQRHH-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO CCOC(=O)C(C)(C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000112356385 364799082 /nfs/dbraw/zinc/79/90/82/364799082.db2.gz AUEOCBGVXOQRHH-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO Cc1cc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)ccc1C#N ZINC000335732593 364902412 /nfs/dbraw/zinc/90/24/12/364902412.db2.gz INWUNXAKWBBGNQ-YJYMSZOUSA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)ccc1C#N ZINC000335732593 364902414 /nfs/dbraw/zinc/90/24/14/364902414.db2.gz INWUNXAKWBBGNQ-YJYMSZOUSA-N 1 2 276.405 2.210 20 30 CEEDLO C#CC[N@@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCc2ccccc21 ZINC000114207304 364930210 /nfs/dbraw/zinc/93/02/10/364930210.db2.gz MGIDGGAAKHXIKN-MRXNPFEDSA-N 1 2 295.338 2.468 20 30 CEEDLO C#CC[N@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCc2ccccc21 ZINC000114207304 364930215 /nfs/dbraw/zinc/93/02/15/364930215.db2.gz MGIDGGAAKHXIKN-MRXNPFEDSA-N 1 2 295.338 2.468 20 30 CEEDLO C#CCC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000275504665 193061697 /nfs/dbraw/zinc/06/16/97/193061697.db2.gz VXPPJCRQPDDYPE-GFCCVEGCSA-N 1 2 263.362 2.045 20 30 CEEDLO C#CCC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000275504665 193061700 /nfs/dbraw/zinc/06/17/00/193061700.db2.gz VXPPJCRQPDDYPE-GFCCVEGCSA-N 1 2 263.362 2.045 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(C#N)cc1 ZINC000275756996 193121045 /nfs/dbraw/zinc/12/10/45/193121045.db2.gz RIMBBBJNHFIPML-MNOVXSKESA-N 1 2 255.325 2.099 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1c(Cl)cnn1C ZINC000275671345 193101804 /nfs/dbraw/zinc/10/18/04/193101804.db2.gz YZPBVDSFXCGDIU-UHFFFAOYSA-N 1 2 289.766 2.375 20 30 CEEDLO COc1ccc2[nH+]c(N3CC[C@@](O)(CC#N)C3)ccc2c1 ZINC000591976392 367200956 /nfs/dbraw/zinc/20/09/56/367200956.db2.gz NNZIVJDGTLMWMG-INIZCTEOSA-N 1 2 283.331 2.098 20 30 CEEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(CC#N)cc2)no1 ZINC000342713497 367496607 /nfs/dbraw/zinc/49/66/07/367496607.db2.gz BAONWUXTMFLJJW-UHFFFAOYSA-N 1 2 270.336 2.469 20 30 CEEDLO Cn1cc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)cn1 ZINC000171541422 367562039 /nfs/dbraw/zinc/56/20/39/367562039.db2.gz ZUUFFOMNDAHHCM-NSCUHMNNSA-N 1 2 284.241 2.075 20 30 CEEDLO COC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccco1 ZINC000342767664 367523578 /nfs/dbraw/zinc/52/35/78/367523578.db2.gz DZPWNNXCESJCDP-CQSZACIVSA-N 1 2 296.330 2.276 20 30 CEEDLO COc1ccc2c(c1OC)CC[N@@H+](CC1(C#N)CC1)C2 ZINC000343579033 367896295 /nfs/dbraw/zinc/89/62/95/367896295.db2.gz GKTBFAVSTIPYMW-UHFFFAOYSA-N 1 2 272.348 2.366 20 30 CEEDLO COc1ccc2c(c1OC)CC[N@H+](CC1(C#N)CC1)C2 ZINC000343579033 367896297 /nfs/dbraw/zinc/89/62/97/367896297.db2.gz GKTBFAVSTIPYMW-UHFFFAOYSA-N 1 2 272.348 2.366 20 30 CEEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(F)c(F)c2)n1 ZINC000174130589 367988167 /nfs/dbraw/zinc/98/81/67/367988167.db2.gz FDJGGDGYPHVGHI-UHFFFAOYSA-N 1 2 296.277 2.137 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000343766720 367994052 /nfs/dbraw/zinc/99/40/52/367994052.db2.gz KLQODMRSIRZZHH-HIFRSBDPSA-N 1 2 280.412 2.101 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000343766720 367994057 /nfs/dbraw/zinc/99/40/57/367994057.db2.gz KLQODMRSIRZZHH-HIFRSBDPSA-N 1 2 280.412 2.101 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633152429 368080131 /nfs/dbraw/zinc/08/01/31/368080131.db2.gz CWPTVNQGDRSLNC-NSHDSACASA-N 1 2 250.346 2.296 20 30 CEEDLO COCc1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000182103112 368525509 /nfs/dbraw/zinc/52/55/09/368525509.db2.gz KRSRQTJWKQBMCN-UHFFFAOYSA-N 1 2 298.346 2.252 20 30 CEEDLO COCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000182103112 368525516 /nfs/dbraw/zinc/52/55/16/368525516.db2.gz KRSRQTJWKQBMCN-UHFFFAOYSA-N 1 2 298.346 2.252 20 30 CEEDLO COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(C)o1 ZINC000184654507 368709008 /nfs/dbraw/zinc/70/90/08/368709008.db2.gz YVWFFLANSYXDLY-QWHCGFSZSA-N 1 2 261.325 2.309 20 30 CEEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000348057179 368878443 /nfs/dbraw/zinc/87/84/43/368878443.db2.gz SOTKLRBZMKHHQD-GFCCVEGCSA-N 1 2 268.382 2.109 20 30 CEEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000348057179 368878452 /nfs/dbraw/zinc/87/84/52/368878452.db2.gz SOTKLRBZMKHHQD-GFCCVEGCSA-N 1 2 268.382 2.109 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(CC#N)c1 ZINC000348257403 368971509 /nfs/dbraw/zinc/97/15/09/368971509.db2.gz PXGSGHDNQRLXJQ-UHFFFAOYSA-N 1 2 281.315 2.086 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000574337408 335012006 /nfs/dbraw/zinc/01/20/06/335012006.db2.gz RFNOZCRSKGRRNE-GFCCVEGCSA-N 1 2 286.335 2.124 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000574337408 335012007 /nfs/dbraw/zinc/01/20/07/335012007.db2.gz RFNOZCRSKGRRNE-GFCCVEGCSA-N 1 2 286.335 2.124 20 30 CEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccon1 ZINC000349236729 369273842 /nfs/dbraw/zinc/27/38/42/369273842.db2.gz HNGKVPQGRIGEGN-JTQLQIEISA-N 1 2 257.293 2.406 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1F ZINC000246391955 370954888 /nfs/dbraw/zinc/95/48/88/370954888.db2.gz AXARHFHRBMXXAR-HZPDHXFCSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1F ZINC000246391955 370954898 /nfs/dbraw/zinc/95/48/98/370954898.db2.gz AXARHFHRBMXXAR-HZPDHXFCSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCOCCC[N@H+]1CCCC[C@@H]1c1nc(COC)n[nH]1 ZINC000351957294 369657895 /nfs/dbraw/zinc/65/78/95/369657895.db2.gz JPJDXRAUBBYFKX-CYBMUJFWSA-N 1 2 294.399 2.071 20 30 CEEDLO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1nc(COC)n[nH]1 ZINC000351957294 369657896 /nfs/dbraw/zinc/65/78/96/369657896.db2.gz JPJDXRAUBBYFKX-CYBMUJFWSA-N 1 2 294.399 2.071 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)OC)c1ccccc1C ZINC000191140759 369683751 /nfs/dbraw/zinc/68/37/51/369683751.db2.gz LMLWWTSMWMWFKE-OAHLLOKOSA-N 1 2 277.364 2.344 20 30 CEEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)OC)c1ccccc1C ZINC000191140759 369683755 /nfs/dbraw/zinc/68/37/55/369683755.db2.gz LMLWWTSMWMWFKE-OAHLLOKOSA-N 1 2 277.364 2.344 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ncnn1C ZINC000276546969 193375853 /nfs/dbraw/zinc/37/58/53/193375853.db2.gz DTRFNRNJNRTUHL-UWVGGRQHSA-N 1 2 273.315 2.238 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1SCC=C ZINC000192235208 369782748 /nfs/dbraw/zinc/78/27/48/369782748.db2.gz UAZHMNZQBBKTAR-UHFFFAOYSA-N 1 2 274.389 2.468 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1SCC=C ZINC000192235208 369782752 /nfs/dbraw/zinc/78/27/52/369782752.db2.gz UAZHMNZQBBKTAR-UHFFFAOYSA-N 1 2 274.389 2.468 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000192238111 369783861 /nfs/dbraw/zinc/78/38/61/369783861.db2.gz AMYPKQNCKFPMGA-HNNXBMFYSA-N 1 2 258.365 2.161 20 30 CEEDLO C#CC[N@H+](C)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000192238111 369783864 /nfs/dbraw/zinc/78/38/64/369783864.db2.gz AMYPKQNCKFPMGA-HNNXBMFYSA-N 1 2 258.365 2.161 20 30 CEEDLO Cc1nc(C)c(C[NH2+]Cc2nc(C#N)cs2)s1 ZINC000352793989 369880824 /nfs/dbraw/zinc/88/08/24/369880824.db2.gz GWWAWHXASZTLJS-UHFFFAOYSA-N 1 2 264.379 2.378 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1nnn(C)n1)c1ccccc1 ZINC000194286862 370021378 /nfs/dbraw/zinc/02/13/78/370021378.db2.gz HQZVFJKBQFQYTG-ZDUSSCGKSA-N 1 2 257.341 2.007 20 30 CEEDLO CC(C)[C@H]1CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000353034013 369994082 /nfs/dbraw/zinc/99/40/82/369994082.db2.gz ZJTWAMWMLZTVKP-OAHLLOKOSA-N 1 2 292.404 2.062 20 30 CEEDLO CC(C)[C@H]1CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000353034013 369994084 /nfs/dbraw/zinc/99/40/84/369994084.db2.gz ZJTWAMWMLZTVKP-OAHLLOKOSA-N 1 2 292.404 2.062 20 30 CEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)CC(C)(C)C#N ZINC000354016827 370179828 /nfs/dbraw/zinc/17/98/28/370179828.db2.gz DFQRQOGYBYFLTH-UHFFFAOYSA-N 1 2 274.290 2.427 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000246931967 371033447 /nfs/dbraw/zinc/03/34/47/371033447.db2.gz TUKAKALQSDSYBF-WWGRRREGSA-N 1 2 286.379 2.034 20 30 CEEDLO C=C(C)COc1cc(C[NH+]2CC(C)(O)C2)ccc1OC ZINC000639254534 371153786 /nfs/dbraw/zinc/15/37/86/371153786.db2.gz YQFMDFDPJYNKJO-UHFFFAOYSA-N 1 2 277.364 2.217 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000331629057 204026726 /nfs/dbraw/zinc/02/67/26/204026726.db2.gz LCYOZOYZIPHPIQ-CYBMUJFWSA-N 1 2 298.433 2.019 20 30 CEEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000331629057 204026731 /nfs/dbraw/zinc/02/67/31/204026731.db2.gz LCYOZOYZIPHPIQ-CYBMUJFWSA-N 1 2 298.433 2.019 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000249376554 371316877 /nfs/dbraw/zinc/31/68/77/371316877.db2.gz KRWGRRCBPMACLU-OLZOCXBDSA-N 1 2 257.341 2.033 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000249376554 371316882 /nfs/dbraw/zinc/31/68/82/371316882.db2.gz KRWGRRCBPMACLU-OLZOCXBDSA-N 1 2 257.341 2.033 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@@]2(CCOC2)O1 ZINC000361512234 371888374 /nfs/dbraw/zinc/88/83/74/371888374.db2.gz XTPSBLQOYXIVPO-MLGOLLRUSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@@]2(CCOC2)O1 ZINC000361512234 371888381 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/nfs/dbraw/zinc/32/97/66/260329766.db2.gz PTQGXGQOENVCBA-UHFFFAOYSA-N 1 2 285.391 2.237 20 30 CEEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000448792583 261129591 /nfs/dbraw/zinc/12/95/91/261129591.db2.gz DDWHJOMDXZKGKD-MEDUHNTESA-N 1 2 298.321 2.177 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCC#N)C1 ZINC000490918734 261247008 /nfs/dbraw/zinc/24/70/08/261247008.db2.gz YTGZWLMUKHFLPY-GFCCVEGCSA-N 1 2 267.373 2.137 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000490918734 261247009 /nfs/dbraw/zinc/24/70/09/261247009.db2.gz YTGZWLMUKHFLPY-GFCCVEGCSA-N 1 2 267.373 2.137 20 30 CEEDLO CCOC(=O)[C@H](C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000175900045 261628899 /nfs/dbraw/zinc/62/88/99/261628899.db2.gz GLVRFFYPQBZFPC-KXUVPBGPSA-N 1 2 265.309 2.019 20 30 CEEDLO CCn1cc[nH+]c1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000364016998 262102771 /nfs/dbraw/zinc/10/27/71/262102771.db2.gz ZBTUVPOWNNKJEZ-GOEBONIOSA-N 1 2 288.395 2.330 20 30 CEEDLO C=CCN(CC=C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364497439 262252592 /nfs/dbraw/zinc/25/25/92/262252592.db2.gz WPOVLOARYIEKDT-UHFFFAOYSA-N 1 2 297.362 2.151 20 30 CEEDLO C=C(Cl)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000364636046 262255826 /nfs/dbraw/zinc/25/58/26/262255826.db2.gz CNOXJXUSKDZHQX-UHFFFAOYSA-N 1 2 294.786 2.056 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCOCC1 ZINC000330273939 262388716 /nfs/dbraw/zinc/38/87/16/262388716.db2.gz ZYPUGDYPBASJNB-VXGBXAGGSA-N 1 2 251.330 2.045 20 30 CEEDLO C=CCCC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000356150133 262550559 /nfs/dbraw/zinc/55/05/59/262550559.db2.gz IDDOXQHIRHCSPJ-ZDUSSCGKSA-N 1 2 261.369 2.382 20 30 CEEDLO CN(C)C(=O)[C@H]1CCC[C@@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265140122 262902119 /nfs/dbraw/zinc/90/21/19/262902119.db2.gz NFHRAHLLNLJOFP-VUPILBDBSA-N 1 2 290.363 2.164 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000266916986 262921705 /nfs/dbraw/zinc/92/17/05/262921705.db2.gz KUCDYBVKXNAJNA-CQSZACIVSA-N 1 2 273.380 2.269 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000266916986 262921707 /nfs/dbraw/zinc/92/17/07/262921707.db2.gz KUCDYBVKXNAJNA-CQSZACIVSA-N 1 2 273.380 2.269 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000269614803 262972761 /nfs/dbraw/zinc/97/27/61/262972761.db2.gz NPWTXWMZFGQAPY-AWEZNQCLSA-N 1 2 297.362 2.264 20 30 CEEDLO CC1(C#N)CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000272537976 263006326 /nfs/dbraw/zinc/00/63/26/263006326.db2.gz OLIJMQVBESYKOX-UHFFFAOYSA-N 1 2 295.346 2.033 20 30 CEEDLO COc1c(O)c(C[N@H+](C)[C@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000278279500 263046411 /nfs/dbraw/zinc/04/64/11/263046411.db2.gz SUJDQPABJPLZCX-SECBINFHSA-N 1 2 279.296 2.043 20 30 CEEDLO COc1c(O)c(C[N@@H+](C)[C@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000278279500 263046412 /nfs/dbraw/zinc/04/64/12/263046412.db2.gz SUJDQPABJPLZCX-SECBINFHSA-N 1 2 279.296 2.043 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC000279428222 263055380 /nfs/dbraw/zinc/05/53/80/263055380.db2.gz MCADEOGWZYOQSF-UHFFFAOYSA-N 1 2 262.357 2.131 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCC#N)CC(C)(C)C ZINC000279476551 263055609 /nfs/dbraw/zinc/05/56/09/263055609.db2.gz QHEGEONRMQYXKI-UHFFFAOYSA-N 1 2 262.357 2.049 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CC#N)CC1 ZINC000279891732 263058060 /nfs/dbraw/zinc/05/80/60/263058060.db2.gz YODSQAUBTDKWGR-UHFFFAOYSA-N 1 2 282.347 2.422 20 30 CEEDLO N#CCC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000281889929 263072776 /nfs/dbraw/zinc/07/27/76/263072776.db2.gz AVFFUIIYCHLEQK-UHFFFAOYSA-N 1 2 255.365 2.427 20 30 CEEDLO C#CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1 ZINC000283997745 263085199 /nfs/dbraw/zinc/08/51/99/263085199.db2.gz MHHAGLNCWCJEQO-UHFFFAOYSA-N 1 2 285.347 2.415 20 30 CEEDLO COc1cccc(C(N)=[NH+]OCCCCCF)c1 ZINC000284376077 263086728 /nfs/dbraw/zinc/08/67/28/263086728.db2.gz LTYRBSBUNWXSNE-UHFFFAOYSA-N 1 2 254.305 2.472 20 30 CEEDLO NC(=[NH+]OCc1cccc(OC(F)F)c1)[C@@H]1CCCO1 ZINC000284519566 263087107 /nfs/dbraw/zinc/08/71/07/263087107.db2.gz UMTHFAXYCICIEK-NSHDSACASA-N 1 2 286.278 2.256 20 30 CEEDLO CCc1cccc(OCCO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284565247 263087475 /nfs/dbraw/zinc/08/74/75/263087475.db2.gz WPSWNZSDAJUGJD-AWEZNQCLSA-N 1 2 278.352 2.096 20 30 CEEDLO CC[C@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000285444777 263092891 /nfs/dbraw/zinc/09/28/91/263092891.db2.gz MIQPFHSIWUBSMP-CQSZACIVSA-N 1 2 269.308 2.146 20 30 CEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1 ZINC000292107548 263128472 /nfs/dbraw/zinc/12/84/72/263128472.db2.gz GXOGFXCVMVHWSW-UHFFFAOYSA-N 1 2 257.337 2.417 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1 ZINC000292107548 263128473 /nfs/dbraw/zinc/12/84/73/263128473.db2.gz GXOGFXCVMVHWSW-UHFFFAOYSA-N 1 2 257.337 2.417 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C ZINC000292274762 263130301 /nfs/dbraw/zinc/13/03/01/263130301.db2.gz SKAMIHIDLAMGMS-HNNXBMFYSA-N 1 2 274.364 2.136 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1C ZINC000292274762 263130302 /nfs/dbraw/zinc/13/03/02/263130302.db2.gz SKAMIHIDLAMGMS-HNNXBMFYSA-N 1 2 274.364 2.136 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccnc1 ZINC000292712324 263133968 /nfs/dbraw/zinc/13/39/68/263133968.db2.gz DJCCASWQMSYIAL-UHFFFAOYSA-N 1 2 281.363 2.384 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1cn(C)nc1-c1cccnc1 ZINC000292712324 263133969 /nfs/dbraw/zinc/13/39/69/263133969.db2.gz DJCCASWQMSYIAL-UHFFFAOYSA-N 1 2 281.363 2.384 20 30 CEEDLO N#CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000293010987 263137057 /nfs/dbraw/zinc/13/70/57/263137057.db2.gz HKNNHCWIISFCCE-MRXNPFEDSA-N 1 2 276.355 2.497 20 30 CEEDLO N#CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000293010987 263137058 /nfs/dbraw/zinc/13/70/58/263137058.db2.gz HKNNHCWIISFCCE-MRXNPFEDSA-N 1 2 276.355 2.497 20 30 CEEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000293445133 263140483 /nfs/dbraw/zinc/14/04/83/263140483.db2.gz KFPGHLTUKOPNPU-ZIAGYGMSSA-N 1 2 259.353 2.089 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000293576515 263143409 /nfs/dbraw/zinc/14/34/09/263143409.db2.gz SWWVAZSGGYXDJW-OCCSQVGLSA-N 1 2 289.404 2.198 20 30 CEEDLO N#CCc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000298460805 263220029 /nfs/dbraw/zinc/22/00/29/263220029.db2.gz MSTDARHEBAUWKB-UHFFFAOYSA-N 1 2 283.335 2.161 20 30 CEEDLO N#CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000299283208 263237568 /nfs/dbraw/zinc/23/75/68/263237568.db2.gz DCOCFRILQOBWMB-UHFFFAOYSA-N 1 2 280.331 2.060 20 30 CEEDLO N#CC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000299637141 263250333 /nfs/dbraw/zinc/25/03/33/263250333.db2.gz HVACSUBDWCBVSJ-UHFFFAOYSA-N 1 2 272.352 2.200 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000042977728 263290439 /nfs/dbraw/zinc/29/04/39/263290439.db2.gz HBWADBJTEQURKU-UHFFFAOYSA-N 1 2 276.355 2.458 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000042977728 263290441 /nfs/dbraw/zinc/29/04/41/263290441.db2.gz HBWADBJTEQURKU-UHFFFAOYSA-N 1 2 276.355 2.458 20 30 CEEDLO COCC1(C#N)CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000341993662 263372755 /nfs/dbraw/zinc/37/27/55/263372755.db2.gz PZIZSYJTXKPDHZ-GFCCVEGCSA-N 1 2 263.341 2.296 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000341984568 263380608 /nfs/dbraw/zinc/38/06/08/263380608.db2.gz WGXPZRRFRSLGFR-UHFFFAOYSA-N 1 2 284.363 2.086 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2ncc(C)s2)CC1 ZINC000341987213 263381178 /nfs/dbraw/zinc/38/11/78/263381178.db2.gz ITBKBWUYDCYDMI-UHFFFAOYSA-N 1 2 265.382 2.204 20 30 CEEDLO Cc1nc(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cs1 ZINC000328941839 263895067 /nfs/dbraw/zinc/89/50/67/263895067.db2.gz LFHKBVASZIQBKT-LLVKDONJSA-N 1 2 290.392 2.410 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CCCC#N)C2 ZINC000330886882 264063357 /nfs/dbraw/zinc/06/33/57/264063357.db2.gz GWAGQOCYKLZPCB-LBPRGKRZSA-N 1 2 288.395 2.305 20 30 CEEDLO COC(=O)c1sccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331320608 264188955 /nfs/dbraw/zinc/18/89/55/264188955.db2.gz DZOZSQKYKHQMOQ-KOLCDFICSA-N 1 2 264.350 2.317 20 30 CEEDLO Cc1cc(C)c(NC(=O)NC[C@H](O)C(F)(F)F)c(C)[nH+]1 ZINC000331330387 264192179 /nfs/dbraw/zinc/19/21/79/264192179.db2.gz OILLSNRHMYPPMQ-VIFPVBQESA-N 1 2 291.273 2.256 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)CC[S@](C)=O)c(C)[nH+]1 ZINC000331301011 264199563 /nfs/dbraw/zinc/19/95/63/264199563.db2.gz DYRMZGWGROGXFZ-SBKAZYGRSA-N 1 2 297.424 2.490 20 30 CEEDLO CC[N@H+](C[C@@H]1COc2ccccc2O1)CC1(C#N)CC1 ZINC000343253844 264218206 /nfs/dbraw/zinc/21/82/06/264218206.db2.gz BDNHBARYBWRIBI-CYBMUJFWSA-N 1 2 272.348 2.452 20 30 CEEDLO CC[N@@H+](C[C@@H]1COc2ccccc2O1)CC1(C#N)CC1 ZINC000343253844 264218207 /nfs/dbraw/zinc/21/82/07/264218207.db2.gz BDNHBARYBWRIBI-CYBMUJFWSA-N 1 2 272.348 2.452 20 30 CEEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC1(C#N)CC1 ZINC000343257336 264223789 /nfs/dbraw/zinc/22/37/89/264223789.db2.gz FHBMHDKDLMKIDG-UHFFFAOYSA-N 1 2 289.354 2.068 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC1(C#N)CC1 ZINC000343257336 264223791 /nfs/dbraw/zinc/22/37/91/264223791.db2.gz FHBMHDKDLMKIDG-UHFFFAOYSA-N 1 2 289.354 2.068 20 30 CEEDLO C#CCCOc1ccc(C(=O)NCc2[nH+]ccn2CC)cc1 ZINC000295521795 265029364 /nfs/dbraw/zinc/02/93/64/265029364.db2.gz IOCFDYFVYXKJOL-UHFFFAOYSA-N 1 2 297.358 2.235 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCn2cncc2C1 ZINC000356270704 266084386 /nfs/dbraw/zinc/08/43/86/266084386.db2.gz CGRQDRBKKXGPDV-UHFFFAOYSA-N 1 2 269.348 2.464 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCn2cncc2C1 ZINC000356270704 266084389 /nfs/dbraw/zinc/08/43/89/266084389.db2.gz CGRQDRBKKXGPDV-UHFFFAOYSA-N 1 2 269.348 2.464 20 30 CEEDLO C=CCCC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)CC1 ZINC000356738350 266167122 /nfs/dbraw/zinc/16/71/22/266167122.db2.gz HWMDEJQNPNTKGS-CABCVRRESA-N 1 2 292.423 2.054 20 30 CEEDLO COCc1cnc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000356950317 266216905 /nfs/dbraw/zinc/21/69/05/266216905.db2.gz VRRSIJQYEPAOMN-UHFFFAOYSA-N 1 2 265.382 2.415 20 30 CEEDLO C=CCOC[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(=O)OC ZINC000361108536 266785098 /nfs/dbraw/zinc/78/50/98/266785098.db2.gz CMLGELJUBBQFNV-BZPMIXESSA-N 1 2 269.385 2.145 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000368031811 267139140 /nfs/dbraw/zinc/13/91/40/267139140.db2.gz VXCLQQXGPNCXQF-AWEZNQCLSA-N 1 2 253.305 2.388 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000368031811 267139142 /nfs/dbraw/zinc/13/91/42/267139142.db2.gz VXCLQQXGPNCXQF-AWEZNQCLSA-N 1 2 253.305 2.388 20 30 CEEDLO C=CC[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000116854983 267184392 /nfs/dbraw/zinc/18/43/92/267184392.db2.gz MPYOBXRNVZCOQL-AWEZNQCLSA-N 1 2 288.391 2.213 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000369029540 267217647 /nfs/dbraw/zinc/21/76/47/267217647.db2.gz YBEFKWDZKHNNTJ-UHFFFAOYSA-N 1 2 283.375 2.137 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000369029540 267217650 /nfs/dbraw/zinc/21/76/50/267217650.db2.gz YBEFKWDZKHNNTJ-UHFFFAOYSA-N 1 2 283.375 2.137 20 30 CEEDLO CC[S@](=O)[C@H]1CCC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224574 267243541 /nfs/dbraw/zinc/24/35/41/267243541.db2.gz DWRYGNCOJSBSEF-YRVVQQKDSA-N 1 2 291.420 2.175 20 30 CEEDLO CCCCCCCN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000369592271 267253118 /nfs/dbraw/zinc/25/31/18/267253118.db2.gz QSGUVAQIJCJPLB-UHFFFAOYSA-N 1 2 295.471 2.373 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1cccc(C#N)c1 ZINC000454328035 267256913 /nfs/dbraw/zinc/25/69/13/267256913.db2.gz SKUGZUWILXLGBW-GFCCVEGCSA-N 1 2 297.362 2.335 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc(C#N)c1 ZINC000492299117 267257685 /nfs/dbraw/zinc/25/76/85/267257685.db2.gz LZRHLIVVSMLFPT-SREVYHEPSA-N 1 2 266.304 2.427 20 30 CEEDLO CCn1ncc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000527923548 267263644 /nfs/dbraw/zinc/26/36/44/267263644.db2.gz KXNWOVVAKOXIIR-JTQLQIEISA-N 1 2 273.315 2.160 20 30 CEEDLO CNc1[nH+]cnc2c1cnn2Cc1ccc(C#N)cc1Cl ZINC000435793323 267355230 /nfs/dbraw/zinc/35/52/30/267355230.db2.gz ZWGWMNVBHDINOM-UHFFFAOYSA-N 1 2 298.737 2.441 20 30 CEEDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)[C@H]1C(C)C ZINC000425269266 267387894 /nfs/dbraw/zinc/38/78/94/267387894.db2.gz QLDRLHSOQMGDEM-ZFWWWQNUSA-N 1 2 287.363 2.286 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000375743123 267897641 /nfs/dbraw/zinc/89/76/41/267897641.db2.gz NJCMYWJYXGHONC-NEPJUHHUSA-N 1 2 289.301 2.209 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000375743123 267897645 /nfs/dbraw/zinc/89/76/45/267897645.db2.gz NJCMYWJYXGHONC-NEPJUHHUSA-N 1 2 289.301 2.209 20 30 CEEDLO N#Cc1ccc(NCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452336383 268248672 /nfs/dbraw/zinc/24/86/72/268248672.db2.gz VKXVRBKPDBPGJJ-UHFFFAOYSA-N 1 2 295.346 2.142 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000459391335 268291087 /nfs/dbraw/zinc/29/10/87/268291087.db2.gz PPNZJSAMIATOAW-AAEUAGOBSA-N 1 2 257.293 2.451 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000459391335 268291089 /nfs/dbraw/zinc/29/10/89/268291089.db2.gz PPNZJSAMIATOAW-AAEUAGOBSA-N 1 2 257.293 2.451 20 30 CEEDLO CCOC1(C)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000430095242 271358309 /nfs/dbraw/zinc/35/83/09/271358309.db2.gz MKOWQJHNNXJAFR-UHFFFAOYSA-N 1 2 265.382 2.406 20 30 CEEDLO CC(C)c1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nn1C ZINC000330314216 276043094 /nfs/dbraw/zinc/04/30/94/276043094.db2.gz PBJVZBOWGZTKLC-NSHDSACASA-N 1 2 287.367 2.060 20 30 CEEDLO CC[NH+]1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000291005882 276203895 /nfs/dbraw/zinc/20/38/95/276203895.db2.gz UGELYHQCBBPRIM-UHFFFAOYSA-N 1 2 264.760 2.057 20 30 CEEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1cnccc1C#N)C2 ZINC000269956490 278076258 /nfs/dbraw/zinc/07/62/58/278076258.db2.gz KKKCDWNBIZYYOR-UHFFFAOYSA-N 1 2 281.363 2.373 20 30 CEEDLO CC1(C)CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330283756 278250545 /nfs/dbraw/zinc/25/05/45/278250545.db2.gz WNAJLFRPEUJVIV-GFCCVEGCSA-N 1 2 276.384 2.234 20 30 CEEDLO C[C@H]1CCN(C(=O)C#Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000122862348 278355588 /nfs/dbraw/zinc/35/55/88/278355588.db2.gz DFSJXMFFFKDHSA-DOTOQJQBSA-N 1 2 293.370 2.344 20 30 CEEDLO N#Cc1cc(Cl)ccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000105569422 279503008 /nfs/dbraw/zinc/50/30/08/279503008.db2.gz KIMWIWOPADXJKF-AWEZNQCLSA-N 1 2 291.782 2.123 20 30 CEEDLO CCc1[nH]nc(NCc2c[nH+]c3ccc(C#N)cn23)c1C ZINC000134017942 280011392 /nfs/dbraw/zinc/01/13/92/280011392.db2.gz DTUTVYMMYQJZDH-UHFFFAOYSA-N 1 2 280.335 2.412 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCOC2)O1 ZINC000280250742 288209798 /nfs/dbraw/zinc/20/97/98/288209798.db2.gz BMZIKPHMIBLBGK-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@]2(CCOC2)O1 ZINC000280250742 288209800 /nfs/dbraw/zinc/20/98/00/288209800.db2.gz BMZIKPHMIBLBGK-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cnccc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000546654025 298355727 /nfs/dbraw/zinc/35/57/27/298355727.db2.gz JVRFKDOMDIQYHW-UHFFFAOYSA-N 1 2 293.374 2.373 20 30 CEEDLO Cc1ccnc(N2CCC[C@H]2c2[nH]cc[nH+]2)c1C#N ZINC000364635653 302271797 /nfs/dbraw/zinc/27/17/97/302271797.db2.gz UKCGVYXVRNCVEU-LBPRGKRZSA-N 1 2 253.309 2.326 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135569672 303192336 /nfs/dbraw/zinc/19/23/36/303192336.db2.gz VUSDGNLJDXJUGD-LSDHHAIUSA-N 1 2 292.379 2.404 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135569672 303192338 /nfs/dbraw/zinc/19/23/38/303192338.db2.gz VUSDGNLJDXJUGD-LSDHHAIUSA-N 1 2 292.379 2.404 20 30 CEEDLO N#CCCC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000580069494 327690758 /nfs/dbraw/zinc/69/07/58/327690758.db2.gz HMQKXVWSPSXOAY-UHFFFAOYSA-N 1 2 260.341 2.463 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccc(N)n1 ZINC000565666158 313831891 /nfs/dbraw/zinc/83/18/91/313831891.db2.gz QPYJKWOPRKHLAB-WDEREUQCSA-N 1 2 267.336 2.173 20 30 CEEDLO COC(C)(C)C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000573451743 314158441 /nfs/dbraw/zinc/15/84/41/314158441.db2.gz FWFQRFSMSAUNAU-UHFFFAOYSA-N 1 2 277.324 2.323 20 30 CEEDLO COC(C)(C)C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000573451743 314158442 /nfs/dbraw/zinc/15/84/42/314158442.db2.gz FWFQRFSMSAUNAU-UHFFFAOYSA-N 1 2 277.324 2.323 20 30 CEEDLO Cc1ccc(CCNc2ncc3c(c2C#N)CCC3)c[nH+]1 ZINC000576746783 314307143 /nfs/dbraw/zinc/30/71/43/314307143.db2.gz OALMAGJZYCBCRT-UHFFFAOYSA-N 1 2 278.359 2.222 20 30 CEEDLO Cc1cc(NC2CCN(c3nccs3)CC2)c(C#N)c[nH+]1 ZINC000577843487 314419269 /nfs/dbraw/zinc/41/92/69/314419269.db2.gz WBFDLUCQTKNHNW-UHFFFAOYSA-N 1 2 299.403 2.221 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364951031 327892103 /nfs/dbraw/zinc/89/21/03/327892103.db2.gz POUUEUJCUYYIIC-STQMWFEESA-N 1 2 261.369 2.307 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000339225756 328002383 /nfs/dbraw/zinc/00/23/83/328002383.db2.gz IFJPCVQGPICQRV-AWEZNQCLSA-N 1 2 282.347 2.107 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)C1 ZINC000563591710 328075355 /nfs/dbraw/zinc/07/53/55/328075355.db2.gz WDIGKOCFLBIJHR-IUODEOHRSA-N 1 2 299.353 2.247 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCSc1ccccc1 ZINC000571526466 328131895 /nfs/dbraw/zinc/13/18/95/328131895.db2.gz GEDPDJRXKSPQLI-HNNXBMFYSA-N 1 2 291.420 2.129 20 30 CEEDLO N#CCCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264010883 328156789 /nfs/dbraw/zinc/15/67/89/328156789.db2.gz BGPPLPKTSXPODP-UHFFFAOYSA-N 1 2 282.347 2.355 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC1CCCC1 ZINC000173540700 329148809 /nfs/dbraw/zinc/14/88/09/329148809.db2.gz RLUQYVKSDDLYKB-UHFFFAOYSA-N 1 2 265.401 2.307 20 30 CEEDLO Cc1cc[nH+]c(C)c1NC(=O)Nc1ccn(CCC#N)n1 ZINC000287689740 328251925 /nfs/dbraw/zinc/25/19/25/328251925.db2.gz YUHQWNMUNNVAFJ-UHFFFAOYSA-N 1 2 284.323 2.453 20 30 CEEDLO CNC(=O)COc1ccc([NH2+]CCC(C)(C)C#N)c(C)c1 ZINC000288761796 328253478 /nfs/dbraw/zinc/25/34/78/328253478.db2.gz SJMYWRBJORFBND-UHFFFAOYSA-N 1 2 289.379 2.472 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000582973317 329297030 /nfs/dbraw/zinc/29/70/30/329297030.db2.gz VLVKYEHVGSXYLC-NWDGAFQWSA-N 1 2 275.352 2.304 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000581653397 322413542 /nfs/dbraw/zinc/41/35/42/322413542.db2.gz MNRIFFHYOBFVFM-VBNZEHGJSA-N 1 2 294.358 2.063 20 30 CEEDLO CN(CC[N@H+](C)C[C@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000091765151 327177486 /nfs/dbraw/zinc/17/74/86/327177486.db2.gz AIZAYIAOWBARER-ZDUSSCGKSA-N 1 2 294.399 2.229 20 30 CEEDLO CN(CC[N@@H+](C)C[C@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000091765151 327177488 /nfs/dbraw/zinc/17/74/88/327177488.db2.gz AIZAYIAOWBARER-ZDUSSCGKSA-N 1 2 294.399 2.229 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569579719 327201052 /nfs/dbraw/zinc/20/10/52/327201052.db2.gz UWTIDWJTAAVEMX-STQMWFEESA-N 1 2 261.369 2.307 20 30 CEEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(Cl)s1 ZINC000555482958 327243794 /nfs/dbraw/zinc/24/37/94/327243794.db2.gz PBDUSQWYMNFHMK-TVQRCGJNSA-N 1 2 299.827 2.465 20 30 CEEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCCCC1 ZINC000560086126 327283196 /nfs/dbraw/zinc/28/31/96/327283196.db2.gz SMHKFYVZZNDIBH-HNNXBMFYSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCCCC1 ZINC000560086126 327283197 /nfs/dbraw/zinc/28/31/97/327283197.db2.gz SMHKFYVZZNDIBH-HNNXBMFYSA-N 1 2 294.439 2.350 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000574769474 327376629 /nfs/dbraw/zinc/37/66/29/327376629.db2.gz YMBITOCSGORIBQ-ONGXEEELSA-N 1 2 280.759 2.344 20 30 CEEDLO CC(C)c1cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000582423535 328986160 /nfs/dbraw/zinc/98/61/60/328986160.db2.gz BVMDUIIBOQCIKX-KRWDZBQOSA-N 1 2 287.407 2.313 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC1CCCC1 ZINC000173540700 329148808 /nfs/dbraw/zinc/14/88/08/329148808.db2.gz RLUQYVKSDDLYKB-UHFFFAOYSA-N 1 2 265.401 2.307 20 30 CEEDLO C=CC1CC[NH+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000175220546 329166581 /nfs/dbraw/zinc/16/65/81/329166581.db2.gz HIYBJGHRONGQGG-JTQLQIEISA-N 1 2 251.330 2.175 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000278734193 330122471 /nfs/dbraw/zinc/12/24/71/330122471.db2.gz UMKVFXDMLVGDBB-QGZVFWFLSA-N 1 2 290.407 2.346 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000278734193 330122473 /nfs/dbraw/zinc/12/24/73/330122473.db2.gz UMKVFXDMLVGDBB-QGZVFWFLSA-N 1 2 290.407 2.346 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191142213 330128419 /nfs/dbraw/zinc/12/84/19/330128419.db2.gz MRPZJRGWMXMFPO-CYBMUJFWSA-N 1 2 297.420 2.286 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000191142213 330128421 /nfs/dbraw/zinc/12/84/21/330128421.db2.gz MRPZJRGWMXMFPO-CYBMUJFWSA-N 1 2 297.420 2.286 20 30 CEEDLO Cn1c[nH+]cc1CCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000527254711 330241817 /nfs/dbraw/zinc/24/18/17/330241817.db2.gz PYVHXGXKQRAYBG-HNNXBMFYSA-N 1 2 296.374 2.166 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000514792169 330465469 /nfs/dbraw/zinc/46/54/69/330465469.db2.gz IDCKTVJKIFSMFJ-RDJZCZTQSA-N 1 2 298.390 2.034 20 30 CEEDLO N#CCCC[S@](=O)Cc1[nH+]ccn1-c1ccccc1 ZINC000434630009 330642077 /nfs/dbraw/zinc/64/20/77/330642077.db2.gz RYCBCKLHODRWBQ-IBGZPJMESA-N 1 2 273.361 2.425 20 30 CEEDLO C=C(CC)CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000450917533 331007119 /nfs/dbraw/zinc/00/71/19/331007119.db2.gz XXDVQMOOTKUOBY-CYBMUJFWSA-N 1 2 276.384 2.063 20 30 CEEDLO C=C(CC)CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000450917533 331007120 /nfs/dbraw/zinc/00/71/20/331007120.db2.gz XXDVQMOOTKUOBY-CYBMUJFWSA-N 1 2 276.384 2.063 20 30 CEEDLO C=CC1CC[NH+]([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000163398545 331032505 /nfs/dbraw/zinc/03/25/05/331032505.db2.gz VJRYZYGKUKCATM-AWEZNQCLSA-N 1 2 260.337 2.194 20 30 CEEDLO C=CCOCCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452337231 331062752 /nfs/dbraw/zinc/06/27/52/331062752.db2.gz ZBDMOPNJUCDTRD-UHFFFAOYSA-N 1 2 263.341 2.141 20 30 CEEDLO C=C(C)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000454555654 331148863 /nfs/dbraw/zinc/14/88/63/331148863.db2.gz UXVLRLYYBCCSPX-UHFFFAOYSA-N 1 2 264.373 2.305 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457308693 331218588 /nfs/dbraw/zinc/21/85/88/331218588.db2.gz HMCLIMFJMQPFBQ-VXGBXAGGSA-N 1 2 295.408 2.124 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459323989 331276182 /nfs/dbraw/zinc/27/61/82/331276182.db2.gz JWUPRFHRTLVUBC-LBPRGKRZSA-N 1 2 282.347 2.441 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459323989 331276183 /nfs/dbraw/zinc/27/61/83/331276183.db2.gz JWUPRFHRTLVUBC-LBPRGKRZSA-N 1 2 282.347 2.441 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1 ZINC000459379490 331279299 /nfs/dbraw/zinc/27/92/99/331279299.db2.gz SEKRELRXXDCCNI-SNVBAGLBSA-N 1 2 272.352 2.184 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1 ZINC000459379490 331279300 /nfs/dbraw/zinc/27/93/00/331279300.db2.gz SEKRELRXXDCCNI-SNVBAGLBSA-N 1 2 272.352 2.184 20 30 CEEDLO CCc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000459457199 331282411 /nfs/dbraw/zinc/28/24/11/331282411.db2.gz CVHMCEFZVHFOPM-ZFWWWQNUSA-N 1 2 271.364 2.469 20 30 CEEDLO COc1c(C)cnc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1C ZINC000459472439 331283543 /nfs/dbraw/zinc/28/35/43/331283543.db2.gz WXLNKGBLUIYJGC-OLZOCXBDSA-N 1 2 259.353 2.489 20 30 CEEDLO COc1c(C)c[nH+]c(CN[C@H]2CCC[C@@H]2C#N)c1C ZINC000459472439 331283544 /nfs/dbraw/zinc/28/35/44/331283544.db2.gz WXLNKGBLUIYJGC-OLZOCXBDSA-N 1 2 259.353 2.489 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000478664563 331711484 /nfs/dbraw/zinc/71/14/84/331711484.db2.gz WXXNBESUBGLWHX-AWEZNQCLSA-N 1 2 287.354 2.018 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1C(C)C)C(=O)OC ZINC000482448991 331832818 /nfs/dbraw/zinc/83/28/18/331832818.db2.gz HEZXALXUGHADIT-IHRRRGAJSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)C)C(=O)OC ZINC000482448992 331832995 /nfs/dbraw/zinc/83/29/95/331832995.db2.gz HEZXALXUGHADIT-MCIONIFRSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000489056463 332039785 /nfs/dbraw/zinc/03/97/85/332039785.db2.gz YHTVZEMYHPNZEN-CYBMUJFWSA-N 1 2 284.363 2.178 20 30 CEEDLO COCC[N@H+](Cc1scnc1C)CC1(C#N)CC1 ZINC000489479834 332055398 /nfs/dbraw/zinc/05/53/98/332055398.db2.gz YGNRMUVRMAJVHA-UHFFFAOYSA-N 1 2 265.382 2.204 20 30 CEEDLO COCC[N@@H+](Cc1scnc1C)CC1(C#N)CC1 ZINC000489479834 332055400 /nfs/dbraw/zinc/05/54/00/332055400.db2.gz YGNRMUVRMAJVHA-UHFFFAOYSA-N 1 2 265.382 2.204 20 30 CEEDLO C=CCn1cccc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000490071664 332080188 /nfs/dbraw/zinc/08/01/88/332080188.db2.gz JPUJUXNXTNEZLV-UHFFFAOYSA-N 1 2 270.336 2.387 20 30 CEEDLO C#CC(C)(C)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490714822 332107728 /nfs/dbraw/zinc/10/77/28/332107728.db2.gz RGXMOZLOMSFUQH-NSHDSACASA-N 1 2 273.380 2.166 20 30 CEEDLO C#CC(C)(C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490714822 332107729 /nfs/dbraw/zinc/10/77/29/332107729.db2.gz RGXMOZLOMSFUQH-NSHDSACASA-N 1 2 273.380 2.166 20 30 CEEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000490740726 332111231 /nfs/dbraw/zinc/11/12/31/332111231.db2.gz NJUHHTPJUOLRMJ-JTQLQIEISA-N 1 2 266.291 2.247 20 30 CEEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000490740726 332111232 /nfs/dbraw/zinc/11/12/32/332111232.db2.gz NJUHHTPJUOLRMJ-JTQLQIEISA-N 1 2 266.291 2.247 20 30 CEEDLO C#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCC1 ZINC000490925396 332129925 /nfs/dbraw/zinc/12/99/25/332129925.db2.gz VQYGYMHFAKCRJW-UHFFFAOYSA-N 1 2 294.358 2.285 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000491372157 332199049 /nfs/dbraw/zinc/19/90/49/332199049.db2.gz ICMCXIRPNKVSEH-AWEZNQCLSA-N 1 2 253.349 2.385 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000491372157 332199051 /nfs/dbraw/zinc/19/90/51/332199051.db2.gz ICMCXIRPNKVSEH-AWEZNQCLSA-N 1 2 253.349 2.385 20 30 CEEDLO C#C[C@H](C)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000491372157 332199052 /nfs/dbraw/zinc/19/90/52/332199052.db2.gz ICMCXIRPNKVSEH-AWEZNQCLSA-N 1 2 253.349 2.385 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000491466133 332217367 /nfs/dbraw/zinc/21/73/67/332217367.db2.gz ZLWKHJRISCLRNP-UHFFFAOYSA-N 1 2 251.351 2.378 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1ccsc1C(=O)OC ZINC000491466133 332217369 /nfs/dbraw/zinc/21/73/69/332217369.db2.gz ZLWKHJRISCLRNP-UHFFFAOYSA-N 1 2 251.351 2.378 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)C1CC1 ZINC000491616052 332243170 /nfs/dbraw/zinc/24/31/70/332243170.db2.gz IABDERQDZWFWDD-OAHLLOKOSA-N 1 2 284.403 2.140 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)C1CC1 ZINC000491616052 332243171 /nfs/dbraw/zinc/24/31/71/332243171.db2.gz IABDERQDZWFWDD-OAHLLOKOSA-N 1 2 284.403 2.140 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000491616902 332243932 /nfs/dbraw/zinc/24/39/32/332243932.db2.gz AKOIRTCZNIMSGG-UKRRQHHQSA-N 1 2 297.333 2.075 20 30 CEEDLO C#CCN(C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000491623715 332248212 /nfs/dbraw/zinc/24/82/12/332248212.db2.gz HQBJBIYEIBJNGC-UHFFFAOYSA-N 1 2 273.380 2.178 20 30 CEEDLO C#CCN(C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000491623715 332248213 /nfs/dbraw/zinc/24/82/13/332248213.db2.gz HQBJBIYEIBJNGC-UHFFFAOYSA-N 1 2 273.380 2.178 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)C1CCCC1 ZINC000491706368 332299358 /nfs/dbraw/zinc/29/93/58/332299358.db2.gz LTIBRSNOGLELCJ-UHFFFAOYSA-N 1 2 281.377 2.061 20 30 CEEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)C1CCCC1 ZINC000491706368 332299359 /nfs/dbraw/zinc/29/93/59/332299359.db2.gz LTIBRSNOGLELCJ-UHFFFAOYSA-N 1 2 281.377 2.061 20 30 CEEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C(C)(C)C ZINC000491727878 332310748 /nfs/dbraw/zinc/31/07/48/332310748.db2.gz LYMTWQOKOTXFDI-CHWSQXEVSA-N 1 2 288.395 2.218 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCC ZINC000491792771 332353134 /nfs/dbraw/zinc/35/31/34/332353134.db2.gz HNNFNMFGPAQCOE-AWEZNQCLSA-N 1 2 258.365 2.037 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCC ZINC000491792771 332353136 /nfs/dbraw/zinc/35/31/36/332353136.db2.gz HNNFNMFGPAQCOE-AWEZNQCLSA-N 1 2 258.365 2.037 20 30 CEEDLO C[C@](C#N)(NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000492861531 332416596 /nfs/dbraw/zinc/41/65/96/332416596.db2.gz JTNMCTPGMRHVGT-ZPIQOJFGSA-N 1 2 272.352 2.402 20 30 CEEDLO Cn1ccnc1COc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000177191160 333054745 /nfs/dbraw/zinc/05/47/45/333054745.db2.gz LRTHUWQDFAXXLI-UHFFFAOYSA-N 1 2 284.363 2.345 20 30 CEEDLO Cn1ccnc1COc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000177191160 333054747 /nfs/dbraw/zinc/05/47/47/333054747.db2.gz LRTHUWQDFAXXLI-UHFFFAOYSA-N 1 2 284.363 2.345 20 30 CEEDLO C#CC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190346640 333205724 /nfs/dbraw/zinc/20/57/24/333205724.db2.gz JMHGKILRJBPAMN-UHFFFAOYSA-N 1 2 261.275 2.216 20 30 CEEDLO C#CC[N@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190346640 333205726 /nfs/dbraw/zinc/20/57/26/333205726.db2.gz JMHGKILRJBPAMN-UHFFFAOYSA-N 1 2 261.275 2.216 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2C[C@H]1C ZINC000576050958 335146165 /nfs/dbraw/zinc/14/61/65/335146165.db2.gz XJOYLMPXDQGRHS-OCCSQVGLSA-N 1 2 271.364 2.246 20 30 CEEDLO CCn1cc[nH+]c1CN(CCC#N)Cc1ccccn1 ZINC000081159290 334179622 /nfs/dbraw/zinc/17/96/22/334179622.db2.gz GBSMFYHCLMYWJA-UHFFFAOYSA-N 1 2 269.352 2.214 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000565607323 334579381 /nfs/dbraw/zinc/57/93/81/334579381.db2.gz OAFSLYPMXCRZJD-CYBMUJFWSA-N 1 2 273.336 2.110 20 30 CEEDLO Cc1cn2cc(NC(=O)NCC3(CC#N)CC3)ccc2[nH+]1 ZINC000567328765 334703962 /nfs/dbraw/zinc/70/39/62/334703962.db2.gz DQRMYYYLNPHFOR-UHFFFAOYSA-N 1 2 283.335 2.458 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000343518381 335206559 /nfs/dbraw/zinc/20/65/59/335206559.db2.gz BOPSZYADCJVWAL-UHFFFAOYSA-N 1 2 272.348 2.280 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000343518381 335206561 /nfs/dbraw/zinc/20/65/61/335206561.db2.gz BOPSZYADCJVWAL-UHFFFAOYSA-N 1 2 272.348 2.280 20 30 CEEDLO CC1=C(C)C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000577283434 335335240 /nfs/dbraw/zinc/33/52/40/335335240.db2.gz XFQFYUBXTUTOOU-HIFRSBDPSA-N 1 2 263.385 2.083 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)Cc1ccccc1C ZINC000577384619 335346145 /nfs/dbraw/zinc/34/61/45/335346145.db2.gz DYDFALSNWGMYTG-GDBMZVCRSA-N 1 2 287.407 2.324 20 30 CEEDLO Cc1ccc(Cc2noc([C@@]3(C#N)C[C@@H]3C)n2)c[nH+]1 ZINC000351072659 335563539 /nfs/dbraw/zinc/56/35/39/335563539.db2.gz DVJJHRIWDHWGBZ-LKFCYVNXSA-N 1 2 254.293 2.165 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)C1(C#N)CCC1 ZINC000194134802 336003325 /nfs/dbraw/zinc/00/33/25/336003325.db2.gz IQMOLOYAGLWMFD-UHFFFAOYSA-N 1 2 282.347 2.249 20 30 CEEDLO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000594717223 501025172 /nfs/dbraw/zinc/02/51/72/501025172.db2.gz JLLCGUPMHSLBCC-LBPRGKRZSA-N 1 2 271.368 2.221 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000193032483 533985354 /nfs/dbraw/zinc/98/53/54/533985354.db2.gz GAYXPJHYTLIRGL-SDDRHHMPSA-N 1 2 252.358 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000336014078 526455878 /nfs/dbraw/zinc/45/58/78/526455878.db2.gz XHKZKISUKZTVQC-UHFFFAOYSA-N 1 2 276.361 2.438 20 30 CEEDLO C=CCOCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000354762566 526719969 /nfs/dbraw/zinc/71/99/69/526719969.db2.gz OFSUQOADOCRCMA-UHFFFAOYSA-N 1 2 257.293 2.218 20 30 CEEDLO C=CCC(C)(C)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000348003102 526987646 /nfs/dbraw/zinc/98/76/46/526987646.db2.gz COELDPJJFRUJLR-ZDUSSCGKSA-N 1 2 290.411 2.217 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000352535117 527014492 /nfs/dbraw/zinc/01/44/92/527014492.db2.gz MUGVFNWVAUMODF-OAHLLOKOSA-N 1 2 294.439 2.206 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000352535117 527014496 /nfs/dbraw/zinc/01/44/96/527014496.db2.gz MUGVFNWVAUMODF-OAHLLOKOSA-N 1 2 294.439 2.206 20 30 CEEDLO C=C[C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000354839224 527413304 /nfs/dbraw/zinc/41/33/04/527413304.db2.gz GMIIUDJESMBHLT-GFCCVEGCSA-N 1 2 255.321 2.236 20 30 CEEDLO CCN(CCC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000354919481 528367897 /nfs/dbraw/zinc/36/78/97/528367897.db2.gz MVFZOHBHFNTHMW-UHFFFAOYSA-N 1 2 296.374 2.236 20 30 CEEDLO CC1(C)C(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000329984971 528871668 /nfs/dbraw/zinc/87/16/68/528871668.db2.gz CSRAQJUVDQNLLG-LLVKDONJSA-N 1 2 290.411 2.384 20 30 CEEDLO CC1(C)C(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000329984971 528871675 /nfs/dbraw/zinc/87/16/75/528871675.db2.gz CSRAQJUVDQNLLG-LLVKDONJSA-N 1 2 290.411 2.384 20 30 CEEDLO N#Cc1nccnc1NCc1ccc[nH+]c1N1CCCCC1 ZINC000726593470 574427809 /nfs/dbraw/zinc/42/78/09/574427809.db2.gz WYJOBYPJWPLCOK-UHFFFAOYSA-N 1 2 294.362 2.346 20 30 CEEDLO CCCCCCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000726986241 574442702 /nfs/dbraw/zinc/44/27/02/574442702.db2.gz ZTFGSCCLIGNJQI-INIZCTEOSA-N 1 2 297.487 2.489 20 30 CEEDLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000020887411 649893102 /nfs/dbraw/zinc/89/31/02/649893102.db2.gz KMGVNZAFONEEDV-TZMCWYRMSA-N 1 2 289.379 2.018 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000729936173 574496571 /nfs/dbraw/zinc/49/65/71/574496571.db2.gz KFHQHVBBOVYEJS-UHFFFAOYSA-N 1 2 297.362 2.068 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cc(C(=O)OC)oc1CC ZINC000750051210 575245284 /nfs/dbraw/zinc/24/52/84/575245284.db2.gz OTFGLEBYBKZECB-UHFFFAOYSA-N 1 2 273.332 2.087 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cc(C(=O)OC)oc1CC ZINC000750051210 575245285 /nfs/dbraw/zinc/24/52/85/575245285.db2.gz OTFGLEBYBKZECB-UHFFFAOYSA-N 1 2 273.332 2.087 20 30 CEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cnn(-c2ccccc2)c1 ZINC000731159928 574590634 /nfs/dbraw/zinc/59/06/34/574590634.db2.gz YSMNCIDQMLJAAJ-VOTSOKGWSA-N 1 2 264.288 2.492 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000732064165 574611122 /nfs/dbraw/zinc/61/11/22/574611122.db2.gz ZVSODUYQYYLXAK-HNNXBMFYSA-N 1 2 296.374 2.092 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000732064165 574611123 /nfs/dbraw/zinc/61/11/23/574611123.db2.gz ZVSODUYQYYLXAK-HNNXBMFYSA-N 1 2 296.374 2.092 20 30 CEEDLO CCCCCCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000732149059 574613664 /nfs/dbraw/zinc/61/36/64/574613664.db2.gz BZYCQMLRPYQIEJ-HNNXBMFYSA-N 1 2 283.460 2.099 20 30 CEEDLO CCCCCCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000732149059 574613665 /nfs/dbraw/zinc/61/36/65/574613665.db2.gz BZYCQMLRPYQIEJ-HNNXBMFYSA-N 1 2 283.460 2.099 20 30 CEEDLO CCCCCCCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000732150055 574613693 /nfs/dbraw/zinc/61/36/93/574613693.db2.gz VPKQSSLBHXOMSY-INIZCTEOSA-N 1 2 297.487 2.489 20 30 CEEDLO CCCCCCCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000732150055 574613694 /nfs/dbraw/zinc/61/36/94/574613694.db2.gz VPKQSSLBHXOMSY-INIZCTEOSA-N 1 2 297.487 2.489 20 30 CEEDLO Cc1cccn2cc(COC(=O)c3ccc(C#N)nc3)[nH+]c12 ZINC000734600056 574722775 /nfs/dbraw/zinc/72/27/75/574722775.db2.gz UYDXCSHESWISIC-UHFFFAOYSA-N 1 2 292.298 2.266 20 30 CEEDLO CCCCCNC(=O)C[N@H+](CCC#N)CC(C)C ZINC000755670009 574746358 /nfs/dbraw/zinc/74/63/58/574746358.db2.gz JYNYTCYKSYVJAO-UHFFFAOYSA-N 1 2 253.390 2.164 20 30 CEEDLO CCCCCNC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000755670009 574746361 /nfs/dbraw/zinc/74/63/61/574746361.db2.gz JYNYTCYKSYVJAO-UHFFFAOYSA-N 1 2 253.390 2.164 20 30 CEEDLO C=C(Cl)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000736240721 574779256 /nfs/dbraw/zinc/77/92/56/574779256.db2.gz PQOPVDKQNGOZOP-UHFFFAOYSA-N 1 2 294.782 2.001 20 30 CEEDLO CCc1noc([C@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000736296291 574781237 /nfs/dbraw/zinc/78/12/37/574781237.db2.gz BVJMVUSBHVAJIB-QMMMGPOBSA-N 1 2 278.287 2.169 20 30 CEEDLO C=CCCC[N@@H+](C)Cn1nnn(C2CCOCC2)c1=S ZINC000736583418 574792869 /nfs/dbraw/zinc/79/28/69/574792869.db2.gz LPRCOTKTCYWZAE-UHFFFAOYSA-N 1 2 297.428 2.016 20 30 CEEDLO C=CCCC[N@H+](C)Cn1nnn(C2CCOCC2)c1=S ZINC000736583418 574792870 /nfs/dbraw/zinc/79/28/70/574792870.db2.gz LPRCOTKTCYWZAE-UHFFFAOYSA-N 1 2 297.428 2.016 20 30 CEEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000739905167 574935965 /nfs/dbraw/zinc/93/59/65/574935965.db2.gz VTHXHKHXXZRLMF-CQSZACIVSA-N 1 2 258.321 2.258 20 30 CEEDLO CC(C)[C@H](C(=O)OCCCCC#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000741028052 574975419 /nfs/dbraw/zinc/97/54/19/574975419.db2.gz WWWUVTMODDYPIH-RBSFLKMASA-N 1 2 296.411 2.357 20 30 CEEDLO C#CCCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000745902675 575145541 /nfs/dbraw/zinc/14/55/41/575145541.db2.gz TXSDNXZMBWQLLE-UHFFFAOYSA-N 1 2 296.374 2.359 20 30 CEEDLO O=C(C#Cc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000747381266 575169910 /nfs/dbraw/zinc/16/99/10/575169910.db2.gz FVVPUEBLTDGKNT-INIZCTEOSA-N 1 2 279.343 2.098 20 30 CEEDLO Cn1c[nH+]cc1COC(=O)/C=C\c1ccccc1C#N ZINC000747780089 575174925 /nfs/dbraw/zinc/17/49/25/575174925.db2.gz BMQMKPVDDVXBEB-SREVYHEPSA-N 1 2 267.288 2.048 20 30 CEEDLO Cc1cccn2cc(COC(=O)c3cc(C#N)c[nH]3)[nH+]c12 ZINC000748226945 575180656 /nfs/dbraw/zinc/18/06/56/575180656.db2.gz YENFXNIPRLFOKA-UHFFFAOYSA-N 1 2 280.287 2.200 20 30 CEEDLO Cn1ccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000749859425 575237666 /nfs/dbraw/zinc/23/76/66/575237666.db2.gz QIZXWSXGMRHBOO-UHFFFAOYSA-N 1 2 250.305 2.441 20 30 CEEDLO COC1CCC(C/[NH+]=C\c2c(CO)cnc(C)c2O)CC1 ZINC000749930747 575240362 /nfs/dbraw/zinc/24/03/62/575240362.db2.gz MXLVKWDEQOWIEJ-MFOYZWKCSA-N 1 2 292.379 2.212 20 30 CEEDLO CCCCCCCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000750057659 575245529 /nfs/dbraw/zinc/24/55/29/575245529.db2.gz SDJYXMPPVUVLSC-UHFFFAOYSA-N 1 2 292.427 2.429 20 30 CEEDLO CCCCCCCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000750057659 575245532 /nfs/dbraw/zinc/24/55/32/575245532.db2.gz SDJYXMPPVUVLSC-UHFFFAOYSA-N 1 2 292.427 2.429 20 30 CEEDLO CCCCCCCC(=O)NCCc1c[nH+]cn1C ZINC000753677885 575335186 /nfs/dbraw/zinc/33/51/86/575335186.db2.gz ATXWWPAQPAMQAP-UHFFFAOYSA-N 1 2 251.374 2.439 20 30 CEEDLO C=CCCCCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875581430 649922382 /nfs/dbraw/zinc/92/23/82/649922382.db2.gz MMMNOCPJZCSYGG-CYBMUJFWSA-N 1 2 276.384 2.244 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000981147674 613157964 /nfs/dbraw/zinc/15/79/64/613157964.db2.gz XYOUZNINYKYIQN-UONOGXRCSA-N 1 2 286.375 2.184 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000981147674 613157966 /nfs/dbraw/zinc/15/79/66/613157966.db2.gz XYOUZNINYKYIQN-UONOGXRCSA-N 1 2 286.375 2.184 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1 ZINC000948890208 613279811 /nfs/dbraw/zinc/27/98/11/613279811.db2.gz ODHVRLFXHUGITF-QGZVFWFLSA-N 1 2 294.354 2.242 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccoc1 ZINC000948890208 613279812 /nfs/dbraw/zinc/27/98/12/613279812.db2.gz ODHVRLFXHUGITF-QGZVFWFLSA-N 1 2 294.354 2.242 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC000950446987 613295446 /nfs/dbraw/zinc/29/54/46/613295446.db2.gz DZCWFSVXPYIEEQ-HUUCEWRRSA-N 1 2 280.412 2.053 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC000951006244 613295928 /nfs/dbraw/zinc/29/59/28/613295928.db2.gz JRUMSAZAYQBGKV-UHFFFAOYSA-N 1 2 289.379 2.274 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3occc3[nH]2)C1 ZINC000950443003 613296438 /nfs/dbraw/zinc/29/64/38/613296438.db2.gz HOZJUJHZDGRICZ-UHFFFAOYSA-N 1 2 287.363 2.483 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC000950598182 613297271 /nfs/dbraw/zinc/29/72/71/613297271.db2.gz APBTWLUKGSXRBI-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000957404504 613315530 /nfs/dbraw/zinc/31/55/30/613315530.db2.gz XMPZCBSUGYVBOV-UHFFFAOYSA-N 1 2 278.318 2.295 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000957537049 613318605 /nfs/dbraw/zinc/31/86/05/613318605.db2.gz YMSUJMNNJCZQKA-HNNXBMFYSA-N 1 2 288.391 2.174 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc(OC)c2F)CC1 ZINC000952376945 613321093 /nfs/dbraw/zinc/32/10/93/613321093.db2.gz DOYYFAXVCRUSNY-UHFFFAOYSA-N 1 2 292.354 2.168 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc[nH]c2CC)C1 ZINC000969609023 613372489 /nfs/dbraw/zinc/37/24/89/613372489.db2.gz OPDJHKWDCMNQGR-NSHDSACASA-N 1 2 295.814 2.380 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CC(F)(F)C2)CC1 ZINC000980948259 613373043 /nfs/dbraw/zinc/37/30/43/613373043.db2.gz YDFHYSBLUPFLRS-UHFFFAOYSA-N 1 2 292.757 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CC(F)(F)C2)CC1 ZINC000980948259 613373044 /nfs/dbraw/zinc/37/30/44/613373044.db2.gz YDFHYSBLUPFLRS-UHFFFAOYSA-N 1 2 292.757 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000980595623 613373076 /nfs/dbraw/zinc/37/30/76/613373076.db2.gz PCPIKLCKFDHRHE-UHFFFAOYSA-N 1 2 256.777 2.073 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000980595623 613373077 /nfs/dbraw/zinc/37/30/77/613373077.db2.gz PCPIKLCKFDHRHE-UHFFFAOYSA-N 1 2 256.777 2.073 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC000981746995 613373922 /nfs/dbraw/zinc/37/39/22/613373922.db2.gz UQWLOVJVSJTCCR-JTQLQIEISA-N 1 2 298.736 2.472 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC000981746995 613373923 /nfs/dbraw/zinc/37/39/23/613373923.db2.gz UQWLOVJVSJTCCR-JTQLQIEISA-N 1 2 298.736 2.472 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccn2C)C1 ZINC000965222729 613377484 /nfs/dbraw/zinc/37/74/84/613377484.db2.gz UPJRDLPYHGMUCJ-AAEUAGOBSA-N 1 2 295.814 2.218 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccn2C)C1 ZINC000965222729 613377485 /nfs/dbraw/zinc/37/74/85/613377485.db2.gz UPJRDLPYHGMUCJ-AAEUAGOBSA-N 1 2 295.814 2.218 20 30 CEEDLO C=CCC[NH+]1CCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC000957414290 613511649 /nfs/dbraw/zinc/51/16/49/613511649.db2.gz XWAPQBCOZXEARI-UHFFFAOYSA-N 1 2 291.420 2.354 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC000950436142 613653001 /nfs/dbraw/zinc/65/30/01/613653001.db2.gz HDSOAJUTFZKGIL-UHFFFAOYSA-N 1 2 258.365 2.004 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC000957094534 613655499 /nfs/dbraw/zinc/65/54/99/613655499.db2.gz HVXKXVGRHYJKJY-HOCLYGCPSA-N 1 2 294.439 2.156 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CC2(c3ccccc3)CC2)CC1 ZINC000948683055 613707406 /nfs/dbraw/zinc/70/74/06/613707406.db2.gz RJDLHMNYKYGSJN-UHFFFAOYSA-N 1 2 284.403 2.439 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 ZINC000957839762 613709257 /nfs/dbraw/zinc/70/92/57/613709257.db2.gz IOMPYQQHFDJYMN-UHFFFAOYSA-N 1 2 297.402 2.051 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc3cccnc32)CC1 ZINC000949558725 613710045 /nfs/dbraw/zinc/71/00/45/613710045.db2.gz SFIJYMGFJFLWHG-UHFFFAOYSA-N 1 2 295.386 2.108 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000956970651 613711713 /nfs/dbraw/zinc/71/17/13/613711713.db2.gz JPOPYUANPDGCCF-LSDHHAIUSA-N 1 2 262.397 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)CC1 ZINC000957503561 613711801 /nfs/dbraw/zinc/71/18/01/613711801.db2.gz RBRLEBQKHHYHAQ-OAHLLOKOSA-N 1 2 290.794 2.310 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001024406797 625547994 /nfs/dbraw/zinc/54/79/94/625547994.db2.gz GELBKPVISINNNM-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001024406797 625547998 /nfs/dbraw/zinc/54/79/98/625547998.db2.gz GELBKPVISINNNM-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001024429454 625554514 /nfs/dbraw/zinc/55/45/14/625554514.db2.gz HFBPQAJUHAVKSH-MNOVXSKESA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001024429454 625554520 /nfs/dbraw/zinc/55/45/20/625554520.db2.gz HFBPQAJUHAVKSH-MNOVXSKESA-N 1 2 292.757 2.365 20 30 CEEDLO NC(CCO)=[NH+]OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000121361137 623584841 /nfs/dbraw/zinc/58/48/41/623584841.db2.gz FSIQVEHBCYGRSG-UHFFFAOYSA-N 1 2 295.726 2.166 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]\CCCN2CCCC2=O)c1 ZINC000255306996 623590151 /nfs/dbraw/zinc/59/01/51/623590151.db2.gz XWBRVGGDLNOZIJ-ATVHPVEESA-N 1 2 290.363 2.222 20 30 CEEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000092914829 624108474 /nfs/dbraw/zinc/10/84/74/624108474.db2.gz GUWGKFGKZIFSPW-UHFFFAOYSA-N 1 2 286.291 2.021 20 30 CEEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)c(CO)c1 ZINC000892158682 624367839 /nfs/dbraw/zinc/36/78/39/624367839.db2.gz CGDBTFCEZHLRPO-UHFFFAOYSA-N 1 2 282.347 2.089 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000934464673 624513056 /nfs/dbraw/zinc/51/30/56/624513056.db2.gz HVXVXRBLABHCIK-NSHDSACASA-N 1 2 255.321 2.486 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000934464673 624513064 /nfs/dbraw/zinc/51/30/64/624513064.db2.gz HVXVXRBLABHCIK-NSHDSACASA-N 1 2 255.321 2.486 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000934471935 624518751 /nfs/dbraw/zinc/51/87/51/624518751.db2.gz WTZHJMLRCIHFGF-OLZOCXBDSA-N 1 2 269.352 2.374 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000934471935 624518756 /nfs/dbraw/zinc/51/87/56/624518756.db2.gz WTZHJMLRCIHFGF-OLZOCXBDSA-N 1 2 269.352 2.374 20 30 CEEDLO N#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000082338774 624649575 /nfs/dbraw/zinc/64/95/75/624649575.db2.gz UPKSSWIURXWMST-UHFFFAOYSA-N 1 2 262.272 2.458 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000820640128 634484969 /nfs/dbraw/zinc/48/49/69/634484969.db2.gz LVYZDSVPJBANFC-ZIAGYGMSSA-N 1 2 274.368 2.032 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820646726 634487117 /nfs/dbraw/zinc/48/71/17/634487117.db2.gz IZKPRVRHSQGAKL-RBSFLKMASA-N 1 2 288.395 2.278 20 30 CEEDLO CC(Cn1nc(C)cc1C)=NOCc1ccc(N)[nH+]c1 ZINC000902214705 634517608 /nfs/dbraw/zinc/51/76/08/634517608.db2.gz IEBHORMGPHVRJH-UHFFFAOYSA-N 1 2 273.340 2.070 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1CCOC1=O ZINC000902244325 634548640 /nfs/dbraw/zinc/54/86/40/634548640.db2.gz HHCYNMBDKGORSF-UHFFFAOYSA-N 1 2 260.337 2.474 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1CCOC1=O ZINC000902244325 634548642 /nfs/dbraw/zinc/54/86/42/634548642.db2.gz HHCYNMBDKGORSF-UHFFFAOYSA-N 1 2 260.337 2.474 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902243184 634548742 /nfs/dbraw/zinc/54/87/42/634548742.db2.gz JWABFCHULVOPLY-TZMCWYRMSA-N 1 2 274.339 2.053 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902243184 634548746 /nfs/dbraw/zinc/54/87/46/634548746.db2.gz JWABFCHULVOPLY-TZMCWYRMSA-N 1 2 274.339 2.053 20 30 CEEDLO CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1cccc(C#N)c1O ZINC000925548682 628191470 /nfs/dbraw/zinc/19/14/70/628191470.db2.gz HOJHTGYBIWMIAD-STYXZAMGSA-N 1 2 294.420 2.462 20 30 CEEDLO CCc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000931546228 628687387 /nfs/dbraw/zinc/68/73/87/628687387.db2.gz JVWLNASWMJALSS-UHFFFAOYSA-N 1 2 296.374 2.431 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCCOC)o1 ZINC000893605860 628784456 /nfs/dbraw/zinc/78/44/56/628784456.db2.gz KPOXRGDOFAFCEZ-NSHDSACASA-N 1 2 252.314 2.087 20 30 CEEDLO C[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980656570 628795541 /nfs/dbraw/zinc/79/55/41/628795541.db2.gz KWWBDLHULQDYIM-AEFFLSMTSA-N 1 2 296.414 2.228 20 30 CEEDLO C[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980656570 628795542 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253.292 2.437 20 30 CEEDLO COC(=O)NC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000852765315 643542968 /nfs/dbraw/zinc/54/29/68/643542968.db2.gz OVZGLWDRTOADFY-UHFFFAOYSA-N 1 2 291.326 2.018 20 30 CEEDLO Clc1ccc(N=NCc2c[nH+]c3n2CCC3)nc1 ZINC000853435417 643769514 /nfs/dbraw/zinc/76/95/14/643769514.db2.gz ORKCZGQIQRKYIB-UHFFFAOYSA-N 1 2 261.716 2.324 20 30 CEEDLO CC(C)[C@@H]1CCN(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524758 643801777 /nfs/dbraw/zinc/80/17/77/643801777.db2.gz PUKKRELWTVQKTJ-KBPBESRZSA-N 1 2 263.385 2.074 20 30 CEEDLO CC(C)[C@@H]1CCN(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524758 643801779 /nfs/dbraw/zinc/80/17/79/643801779.db2.gz PUKKRELWTVQKTJ-KBPBESRZSA-N 1 2 263.385 2.074 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016442573 643805086 /nfs/dbraw/zinc/80/50/86/643805086.db2.gz FJPDHWLMJGLCTA-LBPRGKRZSA-N 1 2 291.420 2.094 20 30 CEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016442573 643805089 /nfs/dbraw/zinc/80/50/89/643805089.db2.gz FJPDHWLMJGLCTA-LBPRGKRZSA-N 1 2 291.420 2.094 20 30 CEEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000854264559 644026118 /nfs/dbraw/zinc/02/61/18/644026118.db2.gz RBJYALCLUDDXFG-UHFFFAOYSA-N 1 2 276.405 2.052 20 30 CEEDLO CCn1ncc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000838899684 644076866 /nfs/dbraw/zinc/07/68/66/644076866.db2.gz KCNAZRPSSRRBRG-LLVKDONJSA-N 1 2 255.325 2.020 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1cnn(CC)n1 ZINC000838995311 644114248 /nfs/dbraw/zinc/11/42/48/644114248.db2.gz OVTSMRWAHAVWOP-UHFFFAOYSA-N 1 2 260.341 2.122 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1cnn(CC)n1 ZINC000838995311 644114252 /nfs/dbraw/zinc/11/42/52/644114252.db2.gz OVTSMRWAHAVWOP-UHFFFAOYSA-N 1 2 260.341 2.122 20 30 CEEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccccc1)C(=O)OC ZINC000839167431 644176587 /nfs/dbraw/zinc/17/65/87/644176587.db2.gz DHFXRXZKWRSXPP-NFAWXSAZSA-N 1 2 259.349 2.333 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000839169215 644178169 /nfs/dbraw/zinc/17/81/69/644178169.db2.gz PVQVDVLPFKSBOR-YJNKXOJESA-N 1 2 263.381 2.500 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C ZINC000839471554 644236585 /nfs/dbraw/zinc/23/65/85/644236585.db2.gz XYOSRPVLWMMWQB-AWEZNQCLSA-N 1 2 290.382 2.422 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C ZINC000839471554 644236590 /nfs/dbraw/zinc/23/65/90/644236590.db2.gz XYOSRPVLWMMWQB-AWEZNQCLSA-N 1 2 290.382 2.422 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000754372321 644362782 /nfs/dbraw/zinc/36/27/82/644362782.db2.gz PMPJCMUDZVEMND-NHYWBVRUSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000754372321 644362784 /nfs/dbraw/zinc/36/27/84/644362784.db2.gz PMPJCMUDZVEMND-NHYWBVRUSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1ccccc1F)C1CC1 ZINC000754370009 644362902 /nfs/dbraw/zinc/36/29/02/644362902.db2.gz ALJJFBZMAJXEIA-XHDPSFHLSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1ccccc1F)C1CC1 ZINC000754370009 644362916 /nfs/dbraw/zinc/36/29/16/644362916.db2.gz ALJJFBZMAJXEIA-XHDPSFHLSA-N 1 2 262.328 2.483 20 30 CEEDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000839669068 644767024 /nfs/dbraw/zinc/76/70/24/644767024.db2.gz LHRQYWVKCWOUKY-ZBFHGGJFSA-N 1 2 288.391 2.420 20 30 CEEDLO C[C@@H]1[C@H](CO)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000839669068 644767031 /nfs/dbraw/zinc/76/70/31/644767031.db2.gz LHRQYWVKCWOUKY-ZBFHGGJFSA-N 1 2 288.391 2.420 20 30 CEEDLO Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000858031634 645050720 /nfs/dbraw/zinc/05/07/20/645050720.db2.gz GUBWRHKVWNXQKC-LSDHHAIUSA-N 1 2 284.363 2.287 20 30 CEEDLO Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000858031634 645050724 /nfs/dbraw/zinc/05/07/24/645050724.db2.gz GUBWRHKVWNXQKC-LSDHHAIUSA-N 1 2 284.363 2.287 20 30 CEEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759714370 645067555 /nfs/dbraw/zinc/06/75/55/645067555.db2.gz YKLPNSKXMAQNKF-CYBMUJFWSA-N 1 2 273.336 2.077 20 30 CEEDLO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759714370 645067559 /nfs/dbraw/zinc/06/75/59/645067559.db2.gz YKLPNSKXMAQNKF-CYBMUJFWSA-N 1 2 273.336 2.077 20 30 CEEDLO N#Cc1ccc(COC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC000759816494 645079266 /nfs/dbraw/zinc/07/92/66/645079266.db2.gz ZACAFZNLAVMWPJ-UHFFFAOYSA-N 1 2 281.315 2.211 20 30 CEEDLO C#CCCCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000878259937 651047484 /nfs/dbraw/zinc/04/74/84/651047484.db2.gz LHAYZYQBYIKIFD-AWEZNQCLSA-N 1 2 276.405 2.415 20 30 CEEDLO C#CCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000878259937 651047487 /nfs/dbraw/zinc/04/74/87/651047487.db2.gz LHAYZYQBYIKIFD-AWEZNQCLSA-N 1 2 276.405 2.415 20 30 CEEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccnn3C)n21 ZINC000766034827 645838134 /nfs/dbraw/zinc/83/81/34/645838134.db2.gz SUBQHBZUJFGLFI-VOTSOKGWSA-N 1 2 266.304 2.272 20 30 CEEDLO Cc1cc(NC(=O)NCc2cc(C#N)ccc2F)c(C)c[nH+]1 ZINC000767952444 646059910 /nfs/dbraw/zinc/05/99/10/646059910.db2.gz YBEXKTLYKVYKHW-UHFFFAOYSA-N 1 2 298.321 2.453 20 30 CEEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000768946682 646185056 /nfs/dbraw/zinc/18/50/56/646185056.db2.gz QJDSBKXYPLBMFM-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000768946682 646185059 /nfs/dbraw/zinc/18/50/59/646185059.db2.gz QJDSBKXYPLBMFM-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C#C[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)[C@H]1CCCO1 ZINC000772260302 646611803 /nfs/dbraw/zinc/61/18/03/646611803.db2.gz WVQATLCQFPDBHD-UKRRQHHQSA-N 1 2 271.364 2.257 20 30 CEEDLO C=CC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1CC1 ZINC000772379948 646624482 /nfs/dbraw/zinc/62/44/82/646624482.db2.gz CMLBETWCRQQZIV-UHFFFAOYSA-N 1 2 294.358 2.070 20 30 CEEDLO C=CC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1CC1 ZINC000772379948 646624483 /nfs/dbraw/zinc/62/44/83/646624483.db2.gz CMLBETWCRQQZIV-UHFFFAOYSA-N 1 2 294.358 2.070 20 30 CEEDLO CCOc1cc(C=NNc2[nH+]ccn2C)c(F)cc1OC ZINC000863109138 646639370 /nfs/dbraw/zinc/63/93/70/646639370.db2.gz BPOJJLUFKRIGCC-UHFFFAOYSA-N 1 2 292.314 2.413 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccnc(C(F)(F)F)c2)[C@H]2CCCN12 ZINC000863178737 646664380 /nfs/dbraw/zinc/66/43/80/646664380.db2.gz CKPFNNAGBJUHDE-SNVBAGLBSA-N 1 2 298.268 2.263 20 30 CEEDLO Cc1[nH+]cc(C=NNCCCOCc2ccccc2)n1C ZINC000863176548 646664426 /nfs/dbraw/zinc/66/44/26/646664426.db2.gz VKLKOAUSSZRPQF-UHFFFAOYSA-N 1 2 286.379 2.259 20 30 CEEDLO O=C1C/C(=C\c2[nH]cc[nH+]2)C(=O)c2ccccc2N1 ZINC000774141982 646809810 /nfs/dbraw/zinc/80/98/10/646809810.db2.gz PKRPZASXCACONH-VQHVLOKHSA-N 1 2 253.261 2.018 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000775340237 646942755 /nfs/dbraw/zinc/94/27/55/646942755.db2.gz GERXATOGYZOJSN-IAGOWNOFSA-N 1 2 281.359 2.143 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1csc(CCC)n1)[C@@H]1CCCO1 ZINC000775785458 646991967 /nfs/dbraw/zinc/99/19/67/646991967.db2.gz OWFUBLGNZYEIQD-OLZOCXBDSA-N 1 2 264.394 2.366 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@H]1CCCO1 ZINC000775791802 646993114 /nfs/dbraw/zinc/99/31/14/646993114.db2.gz XDUYKFYBIVPSQP-JKSUJKDBSA-N 1 2 273.380 2.269 20 30 CEEDLO CN(C)c1ccncc1C=[NH+]Nc1cccc(C#N)c1 ZINC000776185329 647033245 /nfs/dbraw/zinc/03/32/45/647033245.db2.gz HWPCROSOSFZNSH-UHFFFAOYSA-N 1 2 265.320 2.465 20 30 CEEDLO CN(C)c1cc[nH+]cc1C=NNc1cccc(C#N)c1 ZINC000776185329 647033248 /nfs/dbraw/zinc/03/32/48/647033248.db2.gz HWPCROSOSFZNSH-UHFFFAOYSA-N 1 2 265.320 2.465 20 30 CEEDLO CCNc1ccc(C#N)cc1NCc1c[nH+]cn1C ZINC000776850811 647094534 /nfs/dbraw/zinc/09/45/34/647094534.db2.gz YISBSWUMYHPUSI-UHFFFAOYSA-N 1 2 255.325 2.336 20 30 CEEDLO Cc1cc(NC(=O)Cc2ccccc2CC#N)c(C)c[nH+]1 ZINC000777095640 647113084 /nfs/dbraw/zinc/11/30/84/647113084.db2.gz GWBBKACFSNCQJW-UHFFFAOYSA-N 1 2 279.343 2.368 20 30 CEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NNc1cc(Cl)cc[nH+]1 ZINC000777907670 647189797 /nfs/dbraw/zinc/18/97/97/647189797.db2.gz ZUJQRSXFOZARNN-UHFFFAOYSA-N 1 2 293.714 2.081 20 30 CEEDLO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)no1 ZINC000865430446 647289698 /nfs/dbraw/zinc/28/96/98/647289698.db2.gz IGLYLWNUKRRFID-UHFFFAOYSA-N 1 2 270.336 2.211 20 30 CEEDLO C[NH+](C)[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1 ZINC000780089200 647387644 /nfs/dbraw/zinc/38/76/44/647387644.db2.gz MVINQFGJNBSBIS-ZDUSSCGKSA-N 1 2 258.321 2.136 20 30 CEEDLO N#Cc1cccc(N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927388 647538381 /nfs/dbraw/zinc/53/83/81/647538381.db2.gz AYXMPXCWBSGPQF-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1cccc(N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927388 647538385 /nfs/dbraw/zinc/53/83/85/647538385.db2.gz AYXMPXCWBSGPQF-LBPRGKRZSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1cccc(N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927385 647538549 /nfs/dbraw/zinc/53/85/49/647538549.db2.gz AYXMPXCWBSGPQF-GFCCVEGCSA-N 1 2 292.314 2.312 20 30 CEEDLO N#Cc1cccc(N[C@@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927385 647538553 /nfs/dbraw/zinc/53/85/53/647538553.db2.gz AYXMPXCWBSGPQF-GFCCVEGCSA-N 1 2 292.314 2.312 20 30 CEEDLO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866241293 647689479 /nfs/dbraw/zinc/68/94/79/647689479.db2.gz APCJNHIUPIEOCJ-YPMHNXCESA-N 1 2 260.337 2.484 20 30 CEEDLO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866248149 647693881 /nfs/dbraw/zinc/69/38/81/647693881.db2.gz LQUORSSHYPYSAF-DGCLKSJQSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc(C#N)c1O ZINC000866250225 647694856 /nfs/dbraw/zinc/69/48/56/647694856.db2.gz WTEOYXIAFBVKQK-NWDGAFQWSA-N 1 2 282.347 2.336 20 30 CEEDLO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000866267832 647705854 /nfs/dbraw/zinc/70/58/54/647705854.db2.gz UOMDQETVPZGBIG-JSGCOSHPSA-N 1 2 290.363 2.110 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc(C#N)c1O ZINC000866289392 647718217 /nfs/dbraw/zinc/71/82/17/647718217.db2.gz FQHWSCDCDGBINK-NWDGAFQWSA-N 1 2 270.336 2.200 20 30 CEEDLO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866313440 647732860 /nfs/dbraw/zinc/73/28/60/647732860.db2.gz ASLABUUIIQEQNZ-RYUDHWBXSA-N 1 2 260.337 2.099 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(C#N)c1O ZINC000866344097 647746338 /nfs/dbraw/zinc/74/63/38/647746338.db2.gz SLQAHQUMCKVVRJ-AAEUAGOBSA-N 1 2 282.347 2.126 20 30 CEEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)(C)O ZINC000866364014 647756351 /nfs/dbraw/zinc/75/63/51/647756351.db2.gz PGQGMHPRJFSUBI-GXFFZTMASA-N 1 2 262.353 2.464 20 30 CEEDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866377943 647764919 /nfs/dbraw/zinc/76/49/19/647764919.db2.gz PEDDETBTJBOEQI-SNVBAGLBSA-N 1 2 285.351 2.035 20 30 CEEDLO C=CC[C@@H]1N(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCCC1(C)C ZINC000867840126 647975421 /nfs/dbraw/zinc/97/54/21/647975421.db2.gz QVIVUHOVAPKTDG-QWHCGFSZSA-N 1 2 277.368 2.036 20 30 CEEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867939362 647994806 /nfs/dbraw/zinc/99/48/06/647994806.db2.gz UMUCTSIHOSICEZ-HNNXBMFYSA-N 1 2 285.347 2.048 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1 ZINC000869105890 648351274 /nfs/dbraw/zinc/35/12/74/648351274.db2.gz AUEWAZJDAFXALH-PBHICJAKSA-N 1 2 297.402 2.228 20 30 CEEDLO C#C[C@@H]1CCCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000869105890 648351275 /nfs/dbraw/zinc/35/12/75/648351275.db2.gz AUEWAZJDAFXALH-PBHICJAKSA-N 1 2 297.402 2.228 20 30 CEEDLO C=CCN(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869106229 648351650 /nfs/dbraw/zinc/35/16/50/648351650.db2.gz LSIQLNZSBRVFOB-AWEZNQCLSA-N 1 2 259.353 2.001 20 30 CEEDLO C=CCN(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869106229 648351656 /nfs/dbraw/zinc/35/16/56/648351656.db2.gz LSIQLNZSBRVFOB-AWEZNQCLSA-N 1 2 259.353 2.001 20 30 CEEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1OC(F)F ZINC000790299616 648403131 /nfs/dbraw/zinc/40/31/31/648403131.db2.gz GEDNYTRJFKCWML-UHFFFAOYSA-N 1 2 296.277 2.476 20 30 CEEDLO C=CCc1cc(C=NNc2[nH+]ccn2C)cc(OC)c1O ZINC000790300942 648404017 /nfs/dbraw/zinc/40/40/17/648404017.db2.gz AFCWRHSSLDKZNV-UHFFFAOYSA-N 1 2 286.335 2.309 20 30 CEEDLO C=CCOc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790305994 648405765 /nfs/dbraw/zinc/40/57/65/648405765.db2.gz SIRXGABFRDNDBG-UHFFFAOYSA-N 1 2 256.309 2.431 20 30 CEEDLO C=CC[N@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)C(C)C ZINC000793487925 648764673 /nfs/dbraw/zinc/76/46/73/648764673.db2.gz XWICQIJJPNNUKH-UHFFFAOYSA-N 1 2 285.391 2.453 20 30 CEEDLO C=CC[N@@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)C(C)C ZINC000793487925 648764675 /nfs/dbraw/zinc/76/46/75/648764675.db2.gz XWICQIJJPNNUKH-UHFFFAOYSA-N 1 2 285.391 2.453 20 30 CEEDLO NC(=[NH+]OC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000794521320 648875519 /nfs/dbraw/zinc/87/55/19/648875519.db2.gz AEJFMWNNOSBJLS-NSHDSACASA-N 1 2 299.168 2.265 20 30 CEEDLO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794645321 648898233 /nfs/dbraw/zinc/89/82/33/648898233.db2.gz LTTFWYILJPUQCG-LLVKDONJSA-N 1 2 291.424 2.239 20 30 CEEDLO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794645321 648898239 /nfs/dbraw/zinc/89/82/39/648898239.db2.gz LTTFWYILJPUQCG-LLVKDONJSA-N 1 2 291.424 2.239 20 30 CEEDLO CCc1noc([C@H](C)O[NH+]=C(N)Cc2ccccc2)n1 ZINC000123358579 648933214 /nfs/dbraw/zinc/93/32/14/648933214.db2.gz KTBSNMSQEOTECF-JTQLQIEISA-N 1 2 274.324 2.225 20 30 CEEDLO N#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000874070023 649745095 /nfs/dbraw/zinc/74/50/95/649745095.db2.gz OYESBBREWXOOCP-CHWSQXEVSA-N 1 2 282.303 2.054 20 30 CEEDLO N#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000874070023 649745098 /nfs/dbraw/zinc/74/50/98/649745098.db2.gz OYESBBREWXOOCP-CHWSQXEVSA-N 1 2 282.303 2.054 20 30 CEEDLO C#C[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(OC)c2)C1 ZINC000878844434 651196847 /nfs/dbraw/zinc/19/68/47/651196847.db2.gz ZNYDOSDITFWTER-BBRMVZONSA-N 1 2 287.359 2.255 20 30 CEEDLO C#C[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(OC)c2)C1 ZINC000878844434 651196848 /nfs/dbraw/zinc/19/68/48/651196848.db2.gz ZNYDOSDITFWTER-BBRMVZONSA-N 1 2 287.359 2.255 20 30 CEEDLO C#CC[N@@H+](C[C@@H](O)c1c(F)cccc1F)C1CSC1 ZINC000878913624 651208420 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C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001093537594 814955291 /nfs/dbraw/zinc/95/52/91/814955291.db2.gz CBQFRNDJBWZGRM-UHFFFAOYSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267729037 803680019 /nfs/dbraw/zinc/68/00/19/803680019.db2.gz MDIKMKKOHUALAF-LBPRGKRZSA-N 1 2 256.777 2.286 20 30 CEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267729037 803680023 /nfs/dbraw/zinc/68/00/23/803680023.db2.gz MDIKMKKOHUALAF-LBPRGKRZSA-N 1 2 256.777 2.286 20 30 CEEDLO COc1cc(C#N)ccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001126097012 804069841 /nfs/dbraw/zinc/06/98/41/804069841.db2.gz JWXFBXPSSRQBQS-UHFFFAOYSA-N 1 2 292.298 2.467 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001027840559 804293100 /nfs/dbraw/zinc/29/31/00/804293100.db2.gz MWIYOBZSIMWTHO-GFCCVEGCSA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001027840559 804293111 /nfs/dbraw/zinc/29/31/11/804293111.db2.gz MWIYOBZSIMWTHO-GFCCVEGCSA-N 1 2 297.761 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C#CCC[NH+]1CC(NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001030569537 807234950 /nfs/dbraw/zinc/23/49/50/807234950.db2.gz KNHIGLOXNKEMMZ-UHFFFAOYSA-N 1 2 296.414 2.394 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001030627937 807265323 /nfs/dbraw/zinc/26/53/23/807265323.db2.gz GYIZVJPGJLJHGC-UHFFFAOYSA-N 1 2 275.396 2.115 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001030637129 807275206 /nfs/dbraw/zinc/27/52/06/807275206.db2.gz RXPCFNLGHLOQBW-UHFFFAOYSA-N 1 2 297.402 2.326 20 30 CEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(F)CC1 ZINC000689901821 807354196 /nfs/dbraw/zinc/35/41/96/807354196.db2.gz BMNMISPGFYDMAV-NSHDSACASA-N 1 2 275.327 2.319 20 30 CEEDLO CCOC(=O)c1cc2c[nH+]c(NCCCCC#N)nc2[nH]1 ZINC001168427562 807359516 /nfs/dbraw/zinc/35/95/16/807359516.db2.gz PMEPPXDGJYIAJY-UHFFFAOYSA-N 1 2 287.323 2.192 20 30 CEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2O)CCC1=O ZINC001233387124 807400506 /nfs/dbraw/zinc/40/05/06/807400506.db2.gz VVWCAMUJVKGSRZ-UHFFFAOYSA-N 1 2 258.321 2.065 20 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265.357 2.293 20 30 CEEDLO C=C(C)C[N@H+](CC)Cc1[nH]nc(C)c1C(=O)OCC ZINC000595291612 345755239 /nfs/dbraw/zinc/75/52/39/345755239.db2.gz KIWFMJHOFCXNKR-UHFFFAOYSA-N 1 2 265.357 2.293 20 30 CEEDLO CCc1nnc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)[nH]1 ZINC000595289225 345755289 /nfs/dbraw/zinc/75/52/89/345755289.db2.gz QMYSAVSYNMRWIA-LLVKDONJSA-N 1 2 269.352 2.432 20 30 CEEDLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)[nH]1 ZINC000595289225 345755292 /nfs/dbraw/zinc/75/52/92/345755292.db2.gz QMYSAVSYNMRWIA-LLVKDONJSA-N 1 2 269.352 2.432 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595399296 345774747 /nfs/dbraw/zinc/77/47/47/345774747.db2.gz VFLOSQGGOAGUAB-INIZCTEOSA-N 1 2 288.395 2.218 20 30 CEEDLO N#C[C@H](N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000595452701 345785865 /nfs/dbraw/zinc/78/58/65/345785865.db2.gz BTKHZFPPUIKOGL-FGTMMUONSA-N 1 2 299.418 2.484 20 30 CEEDLO Cc1nnc(C[N@H+](C)CCCOc2cccc(C#N)c2)o1 ZINC000595705678 345855140 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C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834562 345891327 /nfs/dbraw/zinc/89/13/27/345891327.db2.gz MNXHYCVJDAKFCJ-CTASWTNQSA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834562 345891331 /nfs/dbraw/zinc/89/13/31/345891331.db2.gz MNXHYCVJDAKFCJ-CTASWTNQSA-N 1 2 277.412 2.115 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000595840899 345895317 /nfs/dbraw/zinc/89/53/17/345895317.db2.gz QWBHTSOQOGRZBI-OAHLLOKOSA-N 1 2 258.321 2.193 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000595840899 345895319 /nfs/dbraw/zinc/89/53/19/345895319.db2.gz QWBHTSOQOGRZBI-OAHLLOKOSA-N 1 2 258.321 2.193 20 30 CEEDLO Cn1cc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)nn1 ZINC000595757225 345868179 /nfs/dbraw/zinc/86/81/79/345868179.db2.gz AWENVMBDJHUIND-UHFFFAOYSA-N 1 2 283.379 2.248 20 30 CEEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)nn1 ZINC000595757225 345868181 /nfs/dbraw/zinc/86/81/81/345868181.db2.gz 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345896953 /nfs/dbraw/zinc/89/69/53/345896953.db2.gz BLOTWSRUWBKVRJ-QLFBSQMISA-N 1 2 272.348 2.479 20 30 CEEDLO CC[N@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H](C)C#N ZINC000595821061 345885816 /nfs/dbraw/zinc/88/58/16/345885816.db2.gz SQWDCXRUDFVYCU-GJZGRUSLSA-N 1 2 285.391 2.383 20 30 CEEDLO CC[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H](C)C#N ZINC000595821061 345885818 /nfs/dbraw/zinc/88/58/18/345885818.db2.gz SQWDCXRUDFVYCU-GJZGRUSLSA-N 1 2 285.391 2.383 20 30 CEEDLO Cc1nnc(C[N@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000595884074 345905460 /nfs/dbraw/zinc/90/54/60/345905460.db2.gz CMJXWZNVTPKWGM-UHFFFAOYSA-N 1 2 288.376 2.229 20 30 CEEDLO Cc1nnc(C[N@@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000595884074 345905462 /nfs/dbraw/zinc/90/54/62/345905462.db2.gz CMJXWZNVTPKWGM-UHFFFAOYSA-N 1 2 288.376 2.229 20 30 CEEDLO Cc1nnc(C[N@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595885037 345905941 /nfs/dbraw/zinc/90/59/41/345905941.db2.gz LPCRSRVKRWEGEG-UHFFFAOYSA-N 1 2 272.377 2.393 20 30 CEEDLO Cc1nnc(C[N@@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595885037 345905943 /nfs/dbraw/zinc/90/59/43/345905943.db2.gz LPCRSRVKRWEGEG-UHFFFAOYSA-N 1 2 272.377 2.393 20 30 CEEDLO C#CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000128280257 187361372 /nfs/dbraw/zinc/36/13/72/187361372.db2.gz JQHXLCPUVVZPBL-HOTGVXAUSA-N 1 2 294.358 2.044 20 30 CEEDLO Cc1nc(NCC2CC[NH+](CC(F)F)CC2)ccc1C#N ZINC000596238422 345977374 /nfs/dbraw/zinc/97/73/74/345977374.db2.gz IAXADXZIHLTFLU-UHFFFAOYSA-N 1 2 294.349 2.073 20 30 CEEDLO CCCCNc1cc(N2CCC[C@@H](CC#N)C2)nc(N)[nH+]1 ZINC000596326272 346000257 /nfs/dbraw/zinc/00/02/57/346000257.db2.gz QRIOZECDQJRGQP-LBPRGKRZSA-N 1 2 288.399 2.231 20 30 CEEDLO CCCCNc1cc(N2CCC[C@@H](CC#N)C2)[nH+]c(N)n1 ZINC000596326272 346000260 /nfs/dbraw/zinc/00/02/60/346000260.db2.gz QRIOZECDQJRGQP-LBPRGKRZSA-N 1 2 288.399 2.231 20 30 CEEDLO Cc1cc(C)c(NC(=O)N2CC(CC#N)C2)c(C)[nH+]1 ZINC000596912115 346105872 /nfs/dbraw/zinc/10/58/72/346105872.db2.gz ALIBJFJETBERPS-UHFFFAOYSA-N 1 2 258.325 2.384 20 30 CEEDLO COc1cc(C#N)ccc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596838804 346095248 /nfs/dbraw/zinc/09/52/48/346095248.db2.gz MYYCWPSZDJYSIG-SNVBAGLBSA-N 1 2 299.334 2.183 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC1(C#N)CCCCC1 ZINC000596869180 346098878 /nfs/dbraw/zinc/09/88/78/346098878.db2.gz OAFLKWAYVHUCAS-UHFFFAOYSA-N 1 2 289.383 2.036 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596996655 346113076 /nfs/dbraw/zinc/11/30/76/346113076.db2.gz ZMWSOHAQVCZXNK-CHWSQXEVSA-N 1 2 280.331 2.342 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cc(COC)cs1 ZINC000596995541 346113171 /nfs/dbraw/zinc/11/31/71/346113171.db2.gz JHUDOKWDDLHRHA-UHFFFAOYSA-N 1 2 268.382 2.257 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cc(COC)cs1 ZINC000596995541 346113175 /nfs/dbraw/zinc/11/31/75/346113175.db2.gz JHUDOKWDDLHRHA-UHFFFAOYSA-N 1 2 268.382 2.257 20 30 CEEDLO Cc1cccc2[nH]c(C[NH+]3CCN(CC#N)CC3)cc21 ZINC000596994192 346113266 /nfs/dbraw/zinc/11/32/66/346113266.db2.gz ACBFAPNNFVANOW-UHFFFAOYSA-N 1 2 268.364 2.118 20 30 CEEDLO Cc1cccn2c(NC(=O)NCCCC#N)c[nH+]c12 ZINC000597084713 346127033 /nfs/dbraw/zinc/12/70/33/346127033.db2.gz PHHHZNUOHFPGPB-UHFFFAOYSA-N 1 2 257.297 2.068 20 30 CEEDLO C[C@H](C[NH+]1CC(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000597203611 346148351 /nfs/dbraw/zinc/14/83/51/346148351.db2.gz MPRUQGAFWJVNBO-GFCCVEGCSA-N 1 2 292.404 2.039 20 30 CEEDLO Cn1nc(C[N@@H+]2CC[C@](C)(C#N)C2)c2ccccc21 ZINC000597229939 346155385 /nfs/dbraw/zinc/15/53/85/346155385.db2.gz OBFKCYYYQJNXGJ-OAHLLOKOSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1nc(C[N@H+]2CC[C@](C)(C#N)C2)c2ccccc21 ZINC000597229939 346155388 /nfs/dbraw/zinc/15/53/88/346155388.db2.gz OBFKCYYYQJNXGJ-OAHLLOKOSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C(C)(C)C)n1 ZINC000597229490 346155422 /nfs/dbraw/zinc/15/54/22/346155422.db2.gz BCHSUODKHWXVQU-OAHLLOKOSA-N 1 2 260.385 2.453 20 30 CEEDLO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(C(C)(C)C)n1 ZINC000597229490 346155424 /nfs/dbraw/zinc/15/54/24/346155424.db2.gz BCHSUODKHWXVQU-OAHLLOKOSA-N 1 2 260.385 2.453 20 30 CEEDLO COc1cc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)ccc1C#N ZINC000597251895 346162269 /nfs/dbraw/zinc/16/22/69/346162269.db2.gz PRJUJGYTLCGPAX-OAHLLOKOSA-N 1 2 296.317 2.423 20 30 CEEDLO COc1cc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)ccc1C#N ZINC000597251895 346162273 /nfs/dbraw/zinc/16/22/73/346162273.db2.gz PRJUJGYTLCGPAX-OAHLLOKOSA-N 1 2 296.317 2.423 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](CC#N)C3)ccn12 ZINC000597901812 346248524 /nfs/dbraw/zinc/24/85/24/346248524.db2.gz MJYWNHXDBWRGRZ-ZDUSSCGKSA-N 1 2 282.347 2.409 20 30 CEEDLO N#CC1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCCC1 ZINC000597941444 346255250 /nfs/dbraw/zinc/25/52/50/346255250.db2.gz PWDFEKMBILVOFD-UHFFFAOYSA-N 1 2 298.390 2.382 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CC)[C@H](C)C#N ZINC000598353045 346334870 /nfs/dbraw/zinc/33/48/70/346334870.db2.gz HUBGRJHSUVJROI-GFCCVEGCSA-N 1 2 284.363 2.359 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)CC#N)n2c1CCCC2 ZINC000598671129 346397605 /nfs/dbraw/zinc/39/76/05/346397605.db2.gz RKVTUXPHCUVCRO-LBPRGKRZSA-N 1 2 289.379 2.345 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)CC#N)n2c1CCCC2 ZINC000598671129 346397610 /nfs/dbraw/zinc/39/76/10/346397610.db2.gz RKVTUXPHCUVCRO-LBPRGKRZSA-N 1 2 289.379 2.345 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)CC#N)n2c1CCCC2 ZINC000598671128 346396880 /nfs/dbraw/zinc/39/68/80/346396880.db2.gz RKVTUXPHCUVCRO-GFCCVEGCSA-N 1 2 289.379 2.345 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)CC#N)n2c1CCCC2 ZINC000598671128 346396883 /nfs/dbraw/zinc/39/68/83/346396883.db2.gz RKVTUXPHCUVCRO-GFCCVEGCSA-N 1 2 289.379 2.345 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC(C2CC2)CC1 ZINC000598836734 346425811 /nfs/dbraw/zinc/42/58/11/346425811.db2.gz QBDNZHZBDRPOKK-XUJLQICISA-N 1 2 277.412 2.163 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C34CC(C3)C4)CC2)cc1 ZINC000598977853 346440847 /nfs/dbraw/zinc/44/08/47/346440847.db2.gz OIJCTBPEVVZESM-UHFFFAOYSA-N 1 2 295.386 2.003 20 30 CEEDLO C=CC[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000623261511 349965552 /nfs/dbraw/zinc/96/55/52/349965552.db2.gz UTZHIIJMSYNQRJ-ZBFHGGJFSA-N 1 2 281.359 2.284 20 30 CEEDLO Cc1cc[nH+]c([C@@H]2CCN(c3nccnc3C#N)C2)c1 ZINC000599097324 346459903 /nfs/dbraw/zinc/45/99/03/346459903.db2.gz BMSCEBHGOLKGIP-GFCCVEGCSA-N 1 2 265.320 2.046 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599379814 346510500 /nfs/dbraw/zinc/51/05/00/346510500.db2.gz UKVPZHJFFOJMNC-INIZCTEOSA-N 1 2 272.348 2.394 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599379814 346510501 /nfs/dbraw/zinc/51/05/01/346510501.db2.gz UKVPZHJFFOJMNC-INIZCTEOSA-N 1 2 272.348 2.394 20 30 CEEDLO CCOC(=O)c1cccc(C[N@H+](CCC#N)CC2CC2)n1 ZINC000600116887 346601173 /nfs/dbraw/zinc/60/11/73/346601173.db2.gz GELIWYAFZAXVIY-UHFFFAOYSA-N 1 2 287.363 2.384 20 30 CEEDLO CCOC(=O)c1cccc(C[N@@H+](CCC#N)CC2CC2)n1 ZINC000600116887 346601175 /nfs/dbraw/zinc/60/11/75/346601175.db2.gz GELIWYAFZAXVIY-UHFFFAOYSA-N 1 2 287.363 2.384 20 30 CEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000129167492 365832002 /nfs/dbraw/zinc/83/20/02/365832002.db2.gz SQTMCRRATXHEBU-CQSZACIVSA-N 1 2 273.380 2.391 20 30 CEEDLO COc1ncc(Br)cc1C[NH2+][C@@H](C)CC#N ZINC000600611202 346661495 /nfs/dbraw/zinc/66/14/95/346661495.db2.gz NXXUXEJKYXBCQK-QMMMGPOBSA-N 1 2 284.157 2.244 20 30 CEEDLO CCCCc1cc(NC2CCN(CC#N)CC2)nc[nH+]1 ZINC000601112829 346756227 /nfs/dbraw/zinc/75/62/27/346756227.db2.gz HHJXYHQHSMOAIH-UHFFFAOYSA-N 1 2 273.384 2.219 20 30 CEEDLO CC(C)[C@@H](C#N)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601134246 346764936 /nfs/dbraw/zinc/76/49/36/346764936.db2.gz CWXWLRHYUSKJOJ-OAHLLOKOSA-N 1 2 282.347 2.079 20 30 CEEDLO N#CC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC2(CC2)C1 ZINC000601024618 346734260 /nfs/dbraw/zinc/73/42/60/346734260.db2.gz VGIAUDOGJINJBY-UHFFFAOYSA-N 1 2 284.363 2.200 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601027775 346735446 /nfs/dbraw/zinc/73/54/46/346735446.db2.gz ZCUIHQFPQZUOAM-ZDUSSCGKSA-N 1 2 268.320 2.499 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000356304283 370650679 /nfs/dbraw/zinc/65/06/79/370650679.db2.gz PFPHLGZALZKCEA-NWDGAFQWSA-N 1 2 263.366 2.158 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000356304283 370650682 /nfs/dbraw/zinc/65/06/82/370650682.db2.gz PFPHLGZALZKCEA-NWDGAFQWSA-N 1 2 263.366 2.158 20 30 CEEDLO Cc1nc2ccccc2nc1C[NH2+]CC1(C#N)CC1 ZINC000602642337 347118987 /nfs/dbraw/zinc/11/89/87/347118987.db2.gz JGZOVBRELZJWKH-UHFFFAOYSA-N 1 2 252.321 2.332 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)C(=O)OCC ZINC000602679550 347141036 /nfs/dbraw/zinc/14/10/36/347141036.db2.gz GXMNHYFRFVHKNM-TUAOUCFPSA-N 1 2 257.399 2.368 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)C(=O)OCC ZINC000602682030 347141885 /nfs/dbraw/zinc/14/18/85/347141885.db2.gz PSHABBZFFXWEGH-HZSPNIEDSA-N 1 2 269.385 2.432 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602700645 347156858 /nfs/dbraw/zinc/15/68/58/347156858.db2.gz VEANICGCQOQLCR-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602700645 347156860 /nfs/dbraw/zinc/15/68/60/347156860.db2.gz VEANICGCQOQLCR-CQSZACIVSA-N 1 2 259.353 2.343 20 30 CEEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](C(F)(F)F)O1 ZINC000602781379 347195484 /nfs/dbraw/zinc/19/54/84/347195484.db2.gz KPVYERVMKXTMKG-ZJUUUORDSA-N 1 2 262.275 2.332 20 30 CEEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](C(F)(F)F)O1 ZINC000602781379 347195486 /nfs/dbraw/zinc/19/54/86/347195486.db2.gz KPVYERVMKXTMKG-ZJUUUORDSA-N 1 2 262.275 2.332 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602817162 347211490 /nfs/dbraw/zinc/21/14/90/347211490.db2.gz TWVYKYICCRLFFF-CYBMUJFWSA-N 1 2 264.369 2.486 20 30 CEEDLO CCOC(=O)[C@@H](CC)[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602817162 347211494 /nfs/dbraw/zinc/21/14/94/347211494.db2.gz TWVYKYICCRLFFF-CYBMUJFWSA-N 1 2 264.369 2.486 20 30 CEEDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)C(=O)N1C ZINC000602850003 347224332 /nfs/dbraw/zinc/22/43/32/347224332.db2.gz TXLRRTXJIKHDJP-WOPDTQHZSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)C(=O)N1C ZINC000602850003 347224334 /nfs/dbraw/zinc/22/43/34/347224334.db2.gz TXLRRTXJIKHDJP-WOPDTQHZSA-N 1 2 289.354 2.137 20 30 CEEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853482 347225399 /nfs/dbraw/zinc/22/53/99/347225399.db2.gz IXCXADDMGWUZNM-HZSPNIEDSA-N 1 2 295.427 2.025 20 30 CEEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853482 347225400 /nfs/dbraw/zinc/22/54/00/347225400.db2.gz IXCXADDMGWUZNM-HZSPNIEDSA-N 1 2 295.427 2.025 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cccc(F)c2F)C[C@@H](C)N1CC#N ZINC000602858043 347227296 /nfs/dbraw/zinc/22/72/96/347227296.db2.gz XYRBUYBFMKFKLM-VXGBXAGGSA-N 1 2 279.334 2.383 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCC1CCCCC1 ZINC000602862048 347228832 /nfs/dbraw/zinc/22/88/32/347228832.db2.gz KPMNCGPLDFFMBH-ZDUSSCGKSA-N 1 2 265.401 2.355 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCSc2ccccc21 ZINC000602869126 347231933 /nfs/dbraw/zinc/23/19/33/347231933.db2.gz MMCIDZIFJSSPRL-VXGBXAGGSA-N 1 2 289.404 2.406 20 30 CEEDLO COC(=O)[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCC[C@@H](OC)C1 ZINC000602871867 347233016 /nfs/dbraw/zinc/23/30/16/347233016.db2.gz SPHHJRGGRAZALE-BFHYXJOUSA-N 1 2 294.395 2.017 20 30 CEEDLO C[C@@H](c1nncn1C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906420 347243778 /nfs/dbraw/zinc/24/37/78/347243778.db2.gz IFZANDNWMSYDOF-LBPRGKRZSA-N 1 2 296.378 2.022 20 30 CEEDLO COC(=O)[C@H](Cc1cccc(OC)c1)[NH2+]CCCCC#N ZINC000602952080 347255521 /nfs/dbraw/zinc/25/55/21/347255521.db2.gz QZGQMRIUWSMUML-HNNXBMFYSA-N 1 2 290.363 2.063 20 30 CEEDLO COc1cc[nH+]c(CN(C)[C@@H]2CCC[C@@H]2C#N)c1OC ZINC000602981073 347264095 /nfs/dbraw/zinc/26/40/95/347264095.db2.gz ZEJRKOBBJSZICM-DGCLKSJQSA-N 1 2 275.352 2.223 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602981504 347264952 /nfs/dbraw/zinc/26/49/52/347264952.db2.gz FEVZCFKNLKSQGG-WFASDCNBSA-N 1 2 287.363 2.382 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602981504 347264953 /nfs/dbraw/zinc/26/49/53/347264953.db2.gz FEVZCFKNLKSQGG-WFASDCNBSA-N 1 2 287.363 2.382 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000602986154 347267859 /nfs/dbraw/zinc/26/78/59/347267859.db2.gz XOTZERSIMXWLPU-UHFFFAOYSA-N 1 2 288.322 2.367 20 30 CEEDLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000602986154 347267863 /nfs/dbraw/zinc/26/78/63/347267863.db2.gz XOTZERSIMXWLPU-UHFFFAOYSA-N 1 2 288.322 2.367 20 30 CEEDLO CC1CC(n2nnc3c2C[N@@H+]([C@H]2CC[C@H](C#N)C2)CC3)C1 ZINC000602986838 347268072 /nfs/dbraw/zinc/26/80/72/347268072.db2.gz QWNYLYVSGOYSCX-QPPOZKHWSA-N 1 2 285.395 2.299 20 30 CEEDLO CC1CC(n2nnc3c2C[N@H+]([C@H]2CC[C@H](C#N)C2)CC3)C1 ZINC000602986838 347268074 /nfs/dbraw/zinc/26/80/74/347268074.db2.gz QWNYLYVSGOYSCX-QPPOZKHWSA-N 1 2 285.395 2.299 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603012361 347272714 /nfs/dbraw/zinc/27/27/14/347272714.db2.gz AZMFBNZLMYVSBS-AWEZNQCLSA-N 1 2 286.354 2.391 20 30 CEEDLO COCc1cc(C#N)ccc1NCc1[nH+]ccn1C ZINC000603287095 347328967 /nfs/dbraw/zinc/32/89/67/347328967.db2.gz DPMIUSGMLQIQFT-UHFFFAOYSA-N 1 2 256.309 2.050 20 30 CEEDLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000604492818 347417759 /nfs/dbraw/zinc/41/77/59/347417759.db2.gz YDJPTIDBSIUWOK-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000604492818 347417762 /nfs/dbraw/zinc/41/77/62/347417762.db2.gz YDJPTIDBSIUWOK-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@](C)(C#N)C(C)C ZINC000604525342 347419604 /nfs/dbraw/zinc/41/96/04/347419604.db2.gz QQZKKMMNRWAYHM-GFCCVEGCSA-N 1 2 293.333 2.315 20 30 CEEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@](C)(C#N)C(C)C ZINC000604525342 347419607 /nfs/dbraw/zinc/41/96/07/347419607.db2.gz QQZKKMMNRWAYHM-GFCCVEGCSA-N 1 2 293.333 2.315 20 30 CEEDLO C=CCOCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608206705 347574205 /nfs/dbraw/zinc/57/42/05/347574205.db2.gz IAXCQTZCACVNIP-HNNXBMFYSA-N 1 2 299.374 2.023 20 30 CEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2ccccc2n1CC#N ZINC000609521779 347641590 /nfs/dbraw/zinc/64/15/90/347641590.db2.gz IQFPUODAPDWWCD-UHFFFAOYSA-N 1 2 293.330 2.160 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000609538283 347642788 /nfs/dbraw/zinc/64/27/88/347642788.db2.gz JTYALWIQRBTNJN-GOEBONIOSA-N 1 2 272.396 2.308 20 30 CEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Cl)o2)C(N)=O)cc1 ZINC000609675841 347648925 /nfs/dbraw/zinc/64/89/25/347648925.db2.gz RLPNQQGPNJMPCT-ZDUSSCGKSA-N 1 2 289.722 2.121 20 30 CEEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CCCCC1 ZINC000610502260 347686553 /nfs/dbraw/zinc/68/65/53/347686553.db2.gz NDQORLWZLVZQLI-AWEZNQCLSA-N 1 2 274.368 2.252 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCc3ccc(O)cc3C2)ccn1 ZINC000610994478 347730078 /nfs/dbraw/zinc/73/00/78/347730078.db2.gz FEWGJHNMGWFFPM-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO 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296.374 2.174 20 30 CEEDLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cnn1C ZINC000341799459 216110315 /nfs/dbraw/zinc/11/03/15/216110315.db2.gz OITHKARJSBWAEC-QGZVFWFLSA-N 1 2 296.374 2.174 20 30 CEEDLO N#Cc1cccc(F)c1CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000336304877 213146203 /nfs/dbraw/zinc/14/62/03/213146203.db2.gz OYHVKYAYWJZFPD-UHFFFAOYSA-N 1 2 298.321 2.411 20 30 CEEDLO Cc1cc[nH+]cc1N1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356347051 370669934 /nfs/dbraw/zinc/66/99/34/370669934.db2.gz UWKRTMQAKMMHMB-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO COCC#CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133066 540983218 /nfs/dbraw/zinc/98/32/18/540983218.db2.gz GDFDVQGGEABJNX-UHFFFAOYSA-N 1 2 289.219 2.453 20 30 CEEDLO COCC#CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133066 540983222 /nfs/dbraw/zinc/98/32/22/540983222.db2.gz GDFDVQGGEABJNX-UHFFFAOYSA-N 1 2 289.219 2.453 20 30 CEEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000081952932 363748109 /nfs/dbraw/zinc/74/81/09/363748109.db2.gz NZBJSYATTDPADK-CYBMUJFWSA-N 1 2 298.321 2.088 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000678049658 541072300 /nfs/dbraw/zinc/07/23/00/541072300.db2.gz OGZVDIZLPBAITC-CVEARBPZSA-N 1 2 279.355 2.444 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000678049658 541072302 /nfs/dbraw/zinc/07/23/02/541072302.db2.gz OGZVDIZLPBAITC-CVEARBPZSA-N 1 2 279.355 2.444 20 30 CEEDLO CCN(CC)c1ccc(CNc2ccc(C#N)nn2)c[nH+]1 ZINC000301944150 201272872 /nfs/dbraw/zinc/27/28/72/201272872.db2.gz WNTDBVITNMKPQF-UHFFFAOYSA-N 1 2 282.351 2.202 20 30 CEEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000092936329 364120073 /nfs/dbraw/zinc/12/00/73/364120073.db2.gz WXPKIDKMEXTCHC-TZMCWYRMSA-N 1 2 259.353 2.044 20 30 CEEDLO C#CCOc1ccc(C[N@@H+](CC(=O)OC)C(C)C)cc1 ZINC000093287221 364158760 /nfs/dbraw/zinc/15/87/60/364158760.db2.gz QIWGCWMGEZYGMN-UHFFFAOYSA-N 1 2 275.348 2.082 20 30 CEEDLO C#CCOc1ccc(C[N@H+](CC(=O)OC)C(C)C)cc1 ZINC000093287221 364158768 /nfs/dbraw/zinc/15/87/68/364158768.db2.gz QIWGCWMGEZYGMN-UHFFFAOYSA-N 1 2 275.348 2.082 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000356446232 370714969 /nfs/dbraw/zinc/71/49/69/370714969.db2.gz LNISLVHKTARMOV-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000356446232 370714976 /nfs/dbraw/zinc/71/49/76/370714976.db2.gz LNISLVHKTARMOV-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCc1ccccc1 ZINC000356483374 370728044 /nfs/dbraw/zinc/72/80/44/370728044.db2.gz VLFYJHOMXQEGFI-HUUCEWRRSA-N 1 2 287.407 2.215 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCc1ccccc1 ZINC000356483374 370728052 /nfs/dbraw/zinc/72/80/52/370728052.db2.gz VLFYJHOMXQEGFI-HUUCEWRRSA-N 1 2 287.407 2.215 20 30 CEEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(O)CC1 ZINC000287264239 376190985 /nfs/dbraw/zinc/19/09/85/376190985.db2.gz KXZIYOHNSPUXEY-UHFFFAOYSA-N 1 2 295.180 2.277 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810098 364228613 /nfs/dbraw/zinc/22/86/13/364228613.db2.gz GJYWURYQOJXODM-INIZCTEOSA-N 1 2 296.374 2.164 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000093810098 364228621 /nfs/dbraw/zinc/22/86/21/364228621.db2.gz GJYWURYQOJXODM-INIZCTEOSA-N 1 2 296.374 2.164 20 30 CEEDLO Cc1ccc(NC(=O)c2ccc(C#N)cn2)c(C)[nH+]1 ZINC000094666152 364287294 /nfs/dbraw/zinc/28/72/94/364287294.db2.gz PUTMMLFANFKKJE-UHFFFAOYSA-N 1 2 252.277 2.217 20 30 CEEDLO C#CCCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000156623586 366836482 /nfs/dbraw/zinc/83/64/82/366836482.db2.gz ZJUVMRSSAFSSKB-UHFFFAOYSA-N 1 2 276.405 2.026 20 30 CEEDLO C#CCCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000156623586 366836487 /nfs/dbraw/zinc/83/64/87/366836487.db2.gz ZJUVMRSSAFSSKB-UHFFFAOYSA-N 1 2 276.405 2.026 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)Cc1cccs1)C[C@H](C)C#N ZINC000157636671 366847905 /nfs/dbraw/zinc/84/79/05/366847905.db2.gz RDFFSQXNHNMIDX-GFCCVEGCSA-N 1 2 279.409 2.188 20 30 CEEDLO CC[N@H+](CC(=O)N(C)Cc1cccs1)C[C@H](C)C#N ZINC000157636671 366847907 /nfs/dbraw/zinc/84/79/07/366847907.db2.gz RDFFSQXNHNMIDX-GFCCVEGCSA-N 1 2 279.409 2.188 20 30 CEEDLO Cn1ncc2c1CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000335246656 364673786 /nfs/dbraw/zinc/67/37/86/364673786.db2.gz MDXACJWINIKAKC-UHFFFAOYSA-N 1 2 284.338 2.379 20 30 CEEDLO Cn1ncc2c1CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000335246656 364673791 /nfs/dbraw/zinc/67/37/91/364673791.db2.gz MDXACJWINIKAKC-UHFFFAOYSA-N 1 2 284.338 2.379 20 30 CEEDLO CC(C)(C#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116642613 365066219 /nfs/dbraw/zinc/06/62/19/365066219.db2.gz AFFAVCACGXOARF-UHFFFAOYSA-N 1 2 287.363 2.007 20 30 CEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(F)c2)C(N)=O)cc1 ZINC000115596708 365019191 /nfs/dbraw/zinc/01/91/91/365019191.db2.gz UMJSNVWRHPZPAF-OAHLLOKOSA-N 1 2 283.306 2.014 20 30 CEEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000118420141 365158992 /nfs/dbraw/zinc/15/89/92/365158992.db2.gz IDRAAJFLDVOMIH-NXEZZACHSA-N 1 2 295.433 2.384 20 30 CEEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000118420141 365158995 /nfs/dbraw/zinc/15/89/95/365158995.db2.gz IDRAAJFLDVOMIH-NXEZZACHSA-N 1 2 295.433 2.384 20 30 CEEDLO C=CCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119602859 365297709 /nfs/dbraw/zinc/29/77/09/365297709.db2.gz JQEQRVAUYVXBSS-CYBMUJFWSA-N 1 2 261.369 2.167 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+](C)[C@H](C)CCC#N)n1 ZINC000583874865 367108618 /nfs/dbraw/zinc/10/86/18/367108618.db2.gz NEHUSLKFKXZUAX-GHMZBOCLSA-N 1 2 266.345 2.291 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)CCC#N)n1 ZINC000583874865 367108623 /nfs/dbraw/zinc/10/86/23/367108623.db2.gz NEHUSLKFKXZUAX-GHMZBOCLSA-N 1 2 266.345 2.291 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nncn1C ZINC000162692200 367179623 /nfs/dbraw/zinc/17/96/23/367179623.db2.gz VMMHPBMCJQXQJJ-SECBINFHSA-N 1 2 275.743 2.191 20 30 CEEDLO C=C(C)COCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000162323310 367152090 /nfs/dbraw/zinc/15/20/90/367152090.db2.gz IUGKHUZFZSHDCY-UHFFFAOYSA-N 1 2 299.374 2.254 20 30 CEEDLO CC(C)N(C(=O)C[NH2+][C@@H](C)CC#N)C1CCCC1 ZINC000602865072 367217279 /nfs/dbraw/zinc/21/72/79/367217279.db2.gz VYMCAMMOUOZGIX-LBPRGKRZSA-N 1 2 251.374 2.058 20 30 CEEDLO CC1(C)C[N@H+](CCNc2c(F)cc(C#N)cc2F)CCO1 ZINC000170640402 367390012 /nfs/dbraw/zinc/39/00/12/367390012.db2.gz CPNMOWJFTLWKSO-UHFFFAOYSA-N 1 2 295.333 2.359 20 30 CEEDLO CC1(C)C[N@@H+](CCNc2c(F)cc(C#N)cc2F)CCO1 ZINC000170640402 367390015 /nfs/dbraw/zinc/39/00/15/367390015.db2.gz CPNMOWJFTLWKSO-UHFFFAOYSA-N 1 2 295.333 2.359 20 30 CEEDLO C=C1CC(C)(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000631673451 367478252 /nfs/dbraw/zinc/47/82/52/367478252.db2.gz HGNRSPWVGIJHJV-UHFFFAOYSA-N 1 2 259.353 2.472 20 30 CEEDLO C=C1CC(C)(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000631673451 367478260 /nfs/dbraw/zinc/47/82/60/367478260.db2.gz HGNRSPWVGIJHJV-UHFFFAOYSA-N 1 2 259.353 2.472 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342629327 367459161 /nfs/dbraw/zinc/45/91/61/367459161.db2.gz DYDNSKDZTHIKRQ-CYBMUJFWSA-N 1 2 262.353 2.301 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342629327 367459162 /nfs/dbraw/zinc/45/91/62/367459162.db2.gz DYDNSKDZTHIKRQ-CYBMUJFWSA-N 1 2 262.353 2.301 20 30 CEEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000342630532 367459197 /nfs/dbraw/zinc/45/91/97/367459197.db2.gz JQEXIQWFHUTEII-UHFFFAOYSA-N 1 2 287.319 2.432 20 30 CEEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccoc2)c(C#N)c1C ZINC000342630532 367459201 /nfs/dbraw/zinc/45/92/01/367459201.db2.gz JQEXIQWFHUTEII-UHFFFAOYSA-N 1 2 287.319 2.432 20 30 CEEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342749481 367513750 /nfs/dbraw/zinc/51/37/50/367513750.db2.gz KZCPIDDIIWZGNA-LBPRGKRZSA-N 1 2 260.337 2.136 20 30 CEEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342749481 367513755 /nfs/dbraw/zinc/51/37/55/367513755.db2.gz KZCPIDDIIWZGNA-LBPRGKRZSA-N 1 2 260.337 2.136 20 30 CEEDLO COc1ncccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342767853 367523036 /nfs/dbraw/zinc/52/30/36/367523036.db2.gz GQAAJNFTUCSWGR-UHFFFAOYSA-N 1 2 279.303 2.222 20 30 CEEDLO CC[C@@H](C)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000171946362 367645029 /nfs/dbraw/zinc/64/50/29/367645029.db2.gz BFXXZXWFTYJQJL-GFCCVEGCSA-N 1 2 253.390 2.163 20 30 CEEDLO CC[C@@H](C)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000171946362 367645035 /nfs/dbraw/zinc/64/50/35/367645035.db2.gz BFXXZXWFTYJQJL-GFCCVEGCSA-N 1 2 253.390 2.163 20 30 CEEDLO Cc1cn2cc(NC(=O)c3ccc(C#N)[nH]3)ccc2[nH+]1 ZINC000343309986 367748494 /nfs/dbraw/zinc/74/84/94/367748494.db2.gz XZYVDSWIXHNKOZ-UHFFFAOYSA-N 1 2 265.276 2.095 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)C)s2)C1=O ZINC000343596469 367907096 /nfs/dbraw/zinc/90/70/96/367907096.db2.gz BVMXSHZGOXWTAC-CYBMUJFWSA-N 1 2 293.436 2.485 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C(C)C)s2)C1=O ZINC000343596469 367907100 /nfs/dbraw/zinc/90/71/00/367907100.db2.gz BVMXSHZGOXWTAC-CYBMUJFWSA-N 1 2 293.436 2.485 20 30 CEEDLO COc1ccc2[nH+]c(C)nc(NCCCC#N)c2c1 ZINC000343611877 367916985 /nfs/dbraw/zinc/91/69/85/367916985.db2.gz YOSRHCLKXYPAJF-UHFFFAOYSA-N 1 2 256.309 2.084 20 30 CEEDLO COC(=O)C1([NH2+]Cc2ccc(CC#N)cc2)CCCC1 ZINC000343717898 367970185 /nfs/dbraw/zinc/97/01/85/367970185.db2.gz KPJGBHJGEPZLKG-UHFFFAOYSA-N 1 2 272.348 2.328 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000346160934 368567999 /nfs/dbraw/zinc/56/79/99/368567999.db2.gz MTUXVNODMHBPGV-UHFFFAOYSA-N 1 2 298.321 2.088 20 30 CEEDLO C=CCCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302636 368625587 /nfs/dbraw/zinc/62/55/87/368625587.db2.gz NCHNCYNCKGCKRI-UHFFFAOYSA-N 1 2 291.420 2.217 20 30 CEEDLO C=CCCN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346483035 368691578 /nfs/dbraw/zinc/69/15/78/368691578.db2.gz QXHYCOAGRCVNJV-ZIAGYGMSSA-N 1 2 273.380 2.188 20 30 CEEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346814429 368790021 /nfs/dbraw/zinc/79/00/21/368790021.db2.gz BJETYYVLHGAXFD-LBPRGKRZSA-N 1 2 289.354 2.381 20 30 CEEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346814429 368790027 /nfs/dbraw/zinc/79/00/27/368790027.db2.gz BJETYYVLHGAXFD-LBPRGKRZSA-N 1 2 289.354 2.381 20 30 CEEDLO CC[C@H](C)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000348011529 368856683 /nfs/dbraw/zinc/85/66/83/368856683.db2.gz SVSSOZCLXHUZQX-SWLSCSKDSA-N 1 2 290.363 2.114 20 30 CEEDLO Cc1ccccc1-n1cc(C[NH2+]CC(C)(C)C#N)nn1 ZINC000348219105 368955024 /nfs/dbraw/zinc/95/50/24/368955024.db2.gz KZDCAVKRJMGRGX-UHFFFAOYSA-N 1 2 269.352 2.215 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000348233619 368961806 /nfs/dbraw/zinc/96/18/06/368961806.db2.gz RXRLPHXUNHVZQV-UHFFFAOYSA-N 1 2 258.321 2.004 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000348233619 368961808 /nfs/dbraw/zinc/96/18/08/368961808.db2.gz RXRLPHXUNHVZQV-UHFFFAOYSA-N 1 2 258.321 2.004 20 30 CEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cn(-c2ccccc2)nn1 ZINC000348533491 369073945 /nfs/dbraw/zinc/07/39/45/369073945.db2.gz KUHNIUIWSUGRCU-GFCCVEGCSA-N 1 2 267.336 2.222 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000330642323 203071776 /nfs/dbraw/zinc/07/17/76/203071776.db2.gz JEZNIRVUTSWLSZ-AWEZNQCLSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000330642323 203071778 /nfs/dbraw/zinc/07/17/78/203071778.db2.gz JEZNIRVUTSWLSZ-AWEZNQCLSA-N 1 2 289.354 2.188 20 30 CEEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@H](C(N)=O)C1 ZINC000187370250 369146971 /nfs/dbraw/zinc/14/69/71/369146971.db2.gz KDVPISPJUVJCNV-WFASDCNBSA-N 1 2 290.794 2.277 20 30 CEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C(N)=O)C1 ZINC000187370250 369146976 /nfs/dbraw/zinc/14/69/76/369146976.db2.gz KDVPISPJUVJCNV-WFASDCNBSA-N 1 2 290.794 2.277 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccon1 ZINC000349234062 369271289 /nfs/dbraw/zinc/27/12/89/369271289.db2.gz AOPRGUNODMDWRL-MNOVXSKESA-N 1 2 284.319 2.224 20 30 CEEDLO C=CCCCCNC(=O)NCCNc1cccc[nH+]1 ZINC000351695693 369650173 /nfs/dbraw/zinc/65/01/73/369650173.db2.gz YHAQSQKUCYIGHT-UHFFFAOYSA-N 1 2 262.357 2.149 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(F)c(F)c1 ZINC000191077802 369674941 /nfs/dbraw/zinc/67/49/41/369674941.db2.gz IMWMUUFNTXFFPE-UHFFFAOYSA-N 1 2 284.306 2.038 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(F)c(F)c1 ZINC000191077802 369674943 /nfs/dbraw/zinc/67/49/43/369674943.db2.gz IMWMUUFNTXFFPE-UHFFFAOYSA-N 1 2 284.306 2.038 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1ccc(F)cc1C(=O)OC ZINC000191086360 369675195 /nfs/dbraw/zinc/67/51/95/369675195.db2.gz GVMYOYNXGDVDKN-UHFFFAOYSA-N 1 2 281.327 2.247 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1ccc(F)cc1C(=O)OC ZINC000191086360 369675198 /nfs/dbraw/zinc/67/51/98/369675198.db2.gz GVMYOYNXGDVDKN-UHFFFAOYSA-N 1 2 281.327 2.247 20 30 CEEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)OC)c1ccccc1C ZINC000191140741 369683556 /nfs/dbraw/zinc/68/35/56/369683556.db2.gz LMLWWTSMWMWFKE-HNNXBMFYSA-N 1 2 277.364 2.344 20 30 CEEDLO C=CC[N@H+](CCOC)[C@H](C(=O)OC)c1ccccc1C ZINC000191140741 369683563 /nfs/dbraw/zinc/68/35/63/369683563.db2.gz LMLWWTSMWMWFKE-HNNXBMFYSA-N 1 2 277.364 2.344 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cnccn1 ZINC000192060186 369769507 /nfs/dbraw/zinc/76/95/07/369769507.db2.gz CYQSWTJHMGJNMD-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cnccn1 ZINC000192060186 369769515 /nfs/dbraw/zinc/76/95/15/369769515.db2.gz CYQSWTJHMGJNMD-UHFFFAOYSA-N 1 2 256.284 2.119 20 30 CEEDLO C#CCCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000192300446 369792151 /nfs/dbraw/zinc/79/21/51/369792151.db2.gz ASRURNMEFVWBQV-UHFFFAOYSA-N 1 2 286.375 2.261 20 30 CEEDLO C=CCCCCCN(C)c1cc(N2CCOCC2)nc[nH+]1 ZINC000192317450 369795265 /nfs/dbraw/zinc/79/52/65/369795265.db2.gz GXWCMHHJPRXKTB-UHFFFAOYSA-N 1 2 290.411 2.496 20 30 CEEDLO C=CCCCCCN(C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000192317450 369795270 /nfs/dbraw/zinc/79/52/70/369795270.db2.gz GXWCMHHJPRXKTB-UHFFFAOYSA-N 1 2 290.411 2.496 20 30 CEEDLO Cc1ccc(NC(=O)N2CC[NH+](CCCC#N)CC2)cc1 ZINC000193637619 369965305 /nfs/dbraw/zinc/96/53/05/369965305.db2.gz MBJRJASKMIWJMF-UHFFFAOYSA-N 1 2 286.379 2.448 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1nc(C#N)cs1 ZINC000352854087 369914825 /nfs/dbraw/zinc/91/48/25/369914825.db2.gz PSWHFHPSKBFJSP-TXEJJXNPSA-N 1 2 278.425 2.367 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354089044 370212484 /nfs/dbraw/zinc/21/24/84/370212484.db2.gz WPDUFAGFLWPKLN-UKRRQHHQSA-N 1 2 273.336 2.001 20 30 CEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000354032019 370188435 /nfs/dbraw/zinc/18/84/35/370188435.db2.gz SMACAEZXJJUAPZ-HNNXBMFYSA-N 1 2 258.365 2.434 20 30 CEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000354032019 370188441 /nfs/dbraw/zinc/18/84/41/370188441.db2.gz SMACAEZXJJUAPZ-HNNXBMFYSA-N 1 2 258.365 2.434 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1cnc(N(C)C)s1)C1CC1 ZINC000354044142 370193426 /nfs/dbraw/zinc/19/34/26/370193426.db2.gz GAMCPLNRLXHSSC-JTQLQIEISA-N 1 2 264.398 2.333 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1cnc(N(C)C)s1)C1CC1 ZINC000354044142 370193429 /nfs/dbraw/zinc/19/34/29/370193429.db2.gz GAMCPLNRLXHSSC-JTQLQIEISA-N 1 2 264.398 2.333 20 30 CEEDLO N#Cc1csc(C[N@@H+](CCCO)Cc2ccccc2)n1 ZINC000356222026 370630002 /nfs/dbraw/zinc/63/00/02/370630002.db2.gz QVVDFEATWIGSLJ-UHFFFAOYSA-N 1 2 287.388 2.399 20 30 CEEDLO N#Cc1csc(C[N@H+](CCCO)Cc2ccccc2)n1 ZINC000356222026 370630008 /nfs/dbraw/zinc/63/00/08/370630008.db2.gz QVVDFEATWIGSLJ-UHFFFAOYSA-N 1 2 287.388 2.399 20 30 CEEDLO C=C(Br)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000247197116 371075357 /nfs/dbraw/zinc/07/53/57/371075357.db2.gz YLXXQOZVCXNMOI-SDDRHHMPSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(Br)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000247197116 371075358 /nfs/dbraw/zinc/07/53/58/371075358.db2.gz YLXXQOZVCXNMOI-SDDRHHMPSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000358765886 371210724 /nfs/dbraw/zinc/21/07/24/371210724.db2.gz MCCYXFWKNJCXGZ-GOEBONIOSA-N 1 2 299.374 2.240 20 30 CEEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000263650219 371944692 /nfs/dbraw/zinc/94/46/92/371944692.db2.gz BRFINSKFHJLZNZ-CABCVRRESA-N 1 2 276.380 2.135 20 30 CEEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000263650219 371944698 /nfs/dbraw/zinc/94/46/98/371944698.db2.gz BRFINSKFHJLZNZ-CABCVRRESA-N 1 2 276.380 2.135 20 30 CEEDLO CC#CCCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000361647223 371999482 /nfs/dbraw/zinc/99/94/82/371999482.db2.gz KFPVLXPDCXOXLS-UHFFFAOYSA-N 1 2 289.379 2.262 20 30 CEEDLO Cc1cn2cc(NC(=O)N(C)C[C@@H](C)C#N)ccc2[nH+]1 ZINC000264663242 371999828 /nfs/dbraw/zinc/99/98/28/371999828.db2.gz ROGCWQGNYDJVFY-JTQLQIEISA-N 1 2 271.324 2.266 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362069333 372199636 /nfs/dbraw/zinc/19/96/36/372199636.db2.gz UKGFJBVBHZJMPN-RWMBFGLXSA-N 1 2 276.405 2.461 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683845999 541870928 /nfs/dbraw/zinc/87/09/28/541870928.db2.gz KGYRDSWCTMIZSZ-RRFJBIMHSA-N 1 2 289.379 2.028 20 30 CEEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCC[C@@H](C)C2)nn1 ZINC000641088677 372304247 /nfs/dbraw/zinc/30/42/47/372304247.db2.gz ONTKABLIXSDNJS-KGLIPLIRSA-N 1 2 260.385 2.217 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CC/C=C/c2ccccc2)nn1 ZINC000641138640 372337009 /nfs/dbraw/zinc/33/70/09/372337009.db2.gz RISQPRXIBXQAIS-YRNVUSSQSA-N 1 2 280.375 2.495 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000641233787 372402325 /nfs/dbraw/zinc/40/23/25/372402325.db2.gz YUKPXYDKTCCGJP-JKSUJKDBSA-N 1 2 266.348 2.120 20 30 CEEDLO C=C(C)[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)OCC ZINC000270025981 372640959 /nfs/dbraw/zinc/64/09/59/372640959.db2.gz GKGDMGJXLOYIMV-OAHLLOKOSA-N 1 2 291.395 2.418 20 30 CEEDLO C=C(C)[C@H](CC(=O)NCCCNc1cccc[nH+]1)OCC ZINC000270048628 372649215 /nfs/dbraw/zinc/64/92/15/372649215.db2.gz LLMAQVCUDYBRKL-AWEZNQCLSA-N 1 2 291.395 2.371 20 30 CEEDLO C=C(Cl)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367636224 373170221 /nfs/dbraw/zinc/17/02/21/373170221.db2.gz TURALGURVZCYGE-UHFFFAOYSA-N 1 2 255.724 2.095 20 30 CEEDLO C#CC[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271120453 373130983 /nfs/dbraw/zinc/13/09/83/373130983.db2.gz DROYOJFZXVCGIR-UHFFFAOYSA-N 1 2 278.308 2.067 20 30 CEEDLO C#CC[N@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271120453 373130990 /nfs/dbraw/zinc/13/09/90/373130990.db2.gz DROYOJFZXVCGIR-UHFFFAOYSA-N 1 2 278.308 2.067 20 30 CEEDLO Cc1ccc(NCc2cccc(-n3cc[nH+]c3)c2)nc1C#N ZINC000344968133 217370842 /nfs/dbraw/zinc/37/08/42/217370842.db2.gz NVTPPVQSUPPBOU-UHFFFAOYSA-N 1 2 289.342 2.481 20 30 CEEDLO C=CCCCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272293710 373414299 /nfs/dbraw/zinc/41/42/99/373414299.db2.gz KFANXTUJTLPIPV-UHFFFAOYSA-N 1 2 270.336 2.306 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nccs1 ZINC000272313969 373424537 /nfs/dbraw/zinc/42/45/37/373424537.db2.gz SCVKWOAYWDGIPY-UHFFFAOYSA-N 1 2 291.376 2.405 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nccs1 ZINC000272313969 373424545 /nfs/dbraw/zinc/42/45/45/373424545.db2.gz SCVKWOAYWDGIPY-UHFFFAOYSA-N 1 2 291.376 2.405 20 30 CEEDLO Cc1nccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000369547639 373452335 /nfs/dbraw/zinc/45/23/35/373452335.db2.gz STXWYJJLVSEUHA-QGZVFWFLSA-N 1 2 294.358 2.230 20 30 CEEDLO Cc1nccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000369547639 373452341 /nfs/dbraw/zinc/45/23/41/373452341.db2.gz STXWYJJLVSEUHA-QGZVFWFLSA-N 1 2 294.358 2.230 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC=C(F)C1 ZINC000272514949 373527059 /nfs/dbraw/zinc/52/70/59/373527059.db2.gz PEUPBVGIGWEGOM-LBPRGKRZSA-N 1 2 254.349 2.359 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC=C(F)C1 ZINC000272514949 373527065 /nfs/dbraw/zinc/52/70/65/373527065.db2.gz PEUPBVGIGWEGOM-LBPRGKRZSA-N 1 2 254.349 2.359 20 30 CEEDLO N#Cc1c(N2CCC(n3cc[nH+]c3)CC2)nc2ccccn12 ZINC000272884897 373694179 /nfs/dbraw/zinc/69/41/79/373694179.db2.gz IBAMJUPTWZOODJ-UHFFFAOYSA-N 1 2 292.346 2.244 20 30 CEEDLO Cc1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)cc[nH+]1 ZINC000371277912 373828018 /nfs/dbraw/zinc/82/80/18/373828018.db2.gz RYPXUNZOTXSHII-HNNXBMFYSA-N 1 2 280.331 2.235 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C1CC1 ZINC000274194906 373837977 /nfs/dbraw/zinc/83/79/77/373837977.db2.gz QTLBSFHJBATHGV-UHFFFAOYSA-N 1 2 286.379 2.034 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C1CC1 ZINC000274194906 373837982 /nfs/dbraw/zinc/83/79/82/373837982.db2.gz QTLBSFHJBATHGV-UHFFFAOYSA-N 1 2 286.379 2.034 20 30 CEEDLO Cn1cc[nH+]c1-c1cccc(CNc2cnc(C#N)cn2)c1 ZINC000372181340 374063354 /nfs/dbraw/zinc/06/33/54/374063354.db2.gz SBUONFGWEASOAO-UHFFFAOYSA-N 1 2 290.330 2.361 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000274963548 374109886 /nfs/dbraw/zinc/10/98/86/374109886.db2.gz VABJJLHLJYNGNG-GWCFXTLKSA-N 1 2 278.377 2.393 20 30 CEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000274963548 374109893 /nfs/dbraw/zinc/10/98/93/374109893.db2.gz VABJJLHLJYNGNG-GWCFXTLKSA-N 1 2 278.377 2.393 20 30 CEEDLO C=CCN(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000275059947 374142113 /nfs/dbraw/zinc/14/21/13/374142113.db2.gz HJQAZYRAZFVCGM-UHFFFAOYSA-N 1 2 288.395 2.399 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000373662976 374400631 /nfs/dbraw/zinc/40/06/31/374400631.db2.gz MULGURCRZRBWIL-RHSMWYFYSA-N 1 2 285.391 2.026 20 30 CEEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)[nH]1 ZINC000277420625 374512895 /nfs/dbraw/zinc/51/28/95/374512895.db2.gz MPISETZKNBABRH-GHMZBOCLSA-N 1 2 286.383 2.379 20 30 CEEDLO CC#CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000277631295 374585632 /nfs/dbraw/zinc/58/56/32/374585632.db2.gz YZUITHYLZYLSSW-UHFFFAOYSA-N 1 2 276.767 2.008 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000375032086 374640832 /nfs/dbraw/zinc/64/08/32/374640832.db2.gz QMLFUVPSHSYAMD-GOSISDBHSA-N 1 2 291.354 2.449 20 30 CEEDLO CC(C)[C@H](NC(=O)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000277800637 374649962 /nfs/dbraw/zinc/64/99/62/374649962.db2.gz XSKULSHANSJPRJ-HNNXBMFYSA-N 1 2 282.347 2.337 20 30 CEEDLO C=CCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279613420 374931425 /nfs/dbraw/zinc/93/14/25/374931425.db2.gz SHLSIIQZFYVFRK-UHFFFAOYSA-N 1 2 258.325 2.100 20 30 CEEDLO C#CCC[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280474919 375212388 /nfs/dbraw/zinc/21/23/88/375212388.db2.gz PFOPRQXHTNLJCV-NSHDSACASA-N 1 2 278.377 2.398 20 30 CEEDLO C#CCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280474919 375212394 /nfs/dbraw/zinc/21/23/94/375212394.db2.gz PFOPRQXHTNLJCV-NSHDSACASA-N 1 2 278.377 2.398 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000281755831 375394420 /nfs/dbraw/zinc/39/44/20/375394420.db2.gz PTONJRLGCOTDHH-CYBMUJFWSA-N 1 2 270.336 2.352 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000280830219 375336969 /nfs/dbraw/zinc/33/69/69/375336969.db2.gz WDSHCNUFKXMVRQ-UHFFFAOYSA-N 1 2 284.319 2.203 20 30 CEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1cnc(C#N)cn1 ZINC000282077342 375399446 /nfs/dbraw/zinc/39/94/46/375399446.db2.gz VZQXQPIPQCJIIO-CYBMUJFWSA-N 1 2 282.351 2.296 20 30 CEEDLO CCCOc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414135621 375797176 /nfs/dbraw/zinc/79/71/76/375797176.db2.gz IKXKDXOWZMWYFH-AWEZNQCLSA-N 1 2 292.379 2.061 20 30 CEEDLO CCCOc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414135621 375797181 /nfs/dbraw/zinc/79/71/81/375797181.db2.gz IKXKDXOWZMWYFH-AWEZNQCLSA-N 1 2 292.379 2.061 20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000287357286 376214733 /nfs/dbraw/zinc/21/47/33/376214733.db2.gz PMDKBKSQDLFNKY-CYBMUJFWSA-N 1 2 295.180 2.277 20 30 CEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000287357286 376214738 /nfs/dbraw/zinc/21/47/38/376214738.db2.gz PMDKBKSQDLFNKY-CYBMUJFWSA-N 1 2 295.180 2.277 20 30 CEEDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CC(C)(C)CC#N ZINC000419356273 376445302 /nfs/dbraw/zinc/44/53/02/376445302.db2.gz SOVNPXIROCNAPJ-LBPRGKRZSA-N 1 2 254.374 2.494 20 30 CEEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000264227028 190098230 /nfs/dbraw/zinc/09/82/30/190098230.db2.gz HWFOOWVBUAQCIT-UONOGXRCSA-N 1 2 288.395 2.091 20 30 CEEDLO Cc1[nH+]c2ccccn2c1CNc1n[nH]c(C2CC2)c1C#N ZINC000557286878 376549058 /nfs/dbraw/zinc/54/90/58/376549058.db2.gz NCQMDBDPSMRVOV-UHFFFAOYSA-N 1 2 292.346 2.149 20 30 CEEDLO Cn1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1C#N ZINC000334316429 206359131 /nfs/dbraw/zinc/35/91/31/206359131.db2.gz OYPLIXYTGKMNIJ-HZPDHXFCSA-N 1 2 271.364 2.040 20 30 CEEDLO Cn1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1C#N ZINC000334316429 206359134 /nfs/dbraw/zinc/35/91/34/206359134.db2.gz OYPLIXYTGKMNIJ-HZPDHXFCSA-N 1 2 271.364 2.040 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000562254336 376850573 /nfs/dbraw/zinc/85/05/73/376850573.db2.gz PILCGHVIDWXAAU-LBPRGKRZSA-N 1 2 291.307 2.243 20 30 CEEDLO Cc1nn(C)cc1[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000328821688 376903474 /nfs/dbraw/zinc/90/34/74/376903474.db2.gz HYIBJXVYMRSBAK-JTQLQIEISA-N 1 2 275.356 2.112 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328680119 376878392 /nfs/dbraw/zinc/87/83/92/376878392.db2.gz NMYRVDOKOIOQBS-UWVGGRQHSA-N 1 2 269.370 2.088 20 30 CEEDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328680119 376878398 /nfs/dbraw/zinc/87/83/98/376878398.db2.gz NMYRVDOKOIOQBS-UWVGGRQHSA-N 1 2 269.370 2.088 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCCOC1)CCC2 ZINC000328693023 376881166 /nfs/dbraw/zinc/88/11/66/376881166.db2.gz CKGVSFTVMXBOPU-STQMWFEESA-N 1 2 277.368 2.452 20 30 CEEDLO CO[C@@H]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000328725862 376887649 /nfs/dbraw/zinc/88/76/49/376887649.db2.gz BPXFPQYCGYDTME-WCQYABFASA-N 1 2 265.357 2.124 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cncnc1C)CCC2 ZINC000328813392 376904426 /nfs/dbraw/zinc/90/44/26/376904426.db2.gz NDTURNDWEUOLQV-GFCCVEGCSA-N 1 2 285.351 2.172 20 30 CEEDLO CC[C@H](C(=O)NC[C@@H]1CCCCO1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328774585 376894167 /nfs/dbraw/zinc/89/41/67/376894167.db2.gz 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C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000334527531 380536524 /nfs/dbraw/zinc/53/65/24/380536524.db2.gz XIYWVTWTKXOEMK-QMTHXVAHSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000334527531 380536527 /nfs/dbraw/zinc/53/65/27/380536527.db2.gz XIYWVTWTKXOEMK-QMTHXVAHSA-N 1 2 264.756 2.414 20 30 CEEDLO C[C@](C#N)(NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000555904098 380857735 /nfs/dbraw/zinc/85/77/35/380857735.db2.gz IMKMONSRLMQHHF-OAHLLOKOSA-N 1 2 274.368 2.252 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493402449 380967617 /nfs/dbraw/zinc/96/76/17/380967617.db2.gz QCCLLEJSTSUBRU-GQCTYLIASA-N 1 2 281.319 2.365 20 30 CEEDLO CN1C[C@H](C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)OC1=O ZINC000496546086 381217874 /nfs/dbraw/zinc/21/78/74/381217874.db2.gz FZDSBCLNKNTNMR-PMPSAXMXSA-N 1 2 299.374 2.209 20 30 CEEDLO CN1C[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)OC1=O ZINC000496546086 381217882 /nfs/dbraw/zinc/21/78/82/381217882.db2.gz 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/nfs/dbraw/zinc/00/44/53/130004453.db2.gz DYQWCFSGOXKJSS-OAHLLOKOSA-N 1 2 294.782 2.449 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000264074453 131390409 /nfs/dbraw/zinc/39/04/09/131390409.db2.gz CAAZILXLXNUWTE-UHFFFAOYSA-N 1 2 298.346 2.293 20 30 CEEDLO C=CCOc1cccc(C[NH2+]Cc2ncnn2CC)c1 ZINC000355607235 394475617 /nfs/dbraw/zinc/47/56/17/394475617.db2.gz NHFWXMSULOIUBP-UHFFFAOYSA-N 1 2 272.352 2.153 20 30 CEEDLO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000302966013 394479223 /nfs/dbraw/zinc/47/92/23/394479223.db2.gz ZKDBDDOQJXCVFW-CQSZACIVSA-N 1 2 276.380 2.395 20 30 CEEDLO CC(C)c1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000302966013 394479227 /nfs/dbraw/zinc/47/92/27/394479227.db2.gz ZKDBDDOQJXCVFW-CQSZACIVSA-N 1 2 276.380 2.395 20 30 CEEDLO C=CCCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355666120 394494206 /nfs/dbraw/zinc/49/42/06/394494206.db2.gz ZXNPEFOHBOEENS-UHFFFAOYSA-N 1 2 254.293 2.427 20 30 CEEDLO O=C(Nc1cccc2c1OCO2)[C@H]1CCn2c[nH+]cc2C1 ZINC000329491683 394566659 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O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCS1 ZINC000328917997 394555961 /nfs/dbraw/zinc/55/59/61/394555961.db2.gz BCPLOSOSXHILER-LDYMZIIASA-N 1 2 251.355 2.119 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCS1 ZINC000328917997 394555965 /nfs/dbraw/zinc/55/59/65/394555965.db2.gz BCPLOSOSXHILER-LDYMZIIASA-N 1 2 251.355 2.119 20 30 CEEDLO N#Cc1ccc(C[N@@H+](CCC2CCCCC2)CC(N)=O)o1 ZINC000092784528 394663526 /nfs/dbraw/zinc/66/35/26/394663526.db2.gz GFRWATXNOYRLDN-UHFFFAOYSA-N 1 2 289.379 2.409 20 30 CEEDLO N#Cc1ccc(C[N@H+](CCC2CCCCC2)CC(N)=O)o1 ZINC000092784528 394663530 /nfs/dbraw/zinc/66/35/30/394663530.db2.gz GFRWATXNOYRLDN-UHFFFAOYSA-N 1 2 289.379 2.409 20 30 CEEDLO N#CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266519534 394665824 /nfs/dbraw/zinc/66/58/24/394665824.db2.gz CNIPEOWTYSWOLQ-UHFFFAOYSA-N 1 2 275.308 2.352 20 30 CEEDLO CC[C@@H]1[C@H](C)CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330201620 394599695 /nfs/dbraw/zinc/59/96/95/394599695.db2.gz YBIHAYZHFHHYMG-FRRDWIJNSA-N 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/nfs/dbraw/zinc/78/99/29/394789929.db2.gz KOZWYTZRARKRPZ-HZPDHXFCSA-N 1 2 259.324 2.431 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000335698194 394789931 /nfs/dbraw/zinc/78/99/31/394789931.db2.gz KOZWYTZRARKRPZ-HZPDHXFCSA-N 1 2 259.324 2.431 20 30 CEEDLO CC#CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000121591380 394800935 /nfs/dbraw/zinc/80/09/35/394800935.db2.gz XBGWIHRXZPVZFS-OAHLLOKOSA-N 1 2 286.375 2.430 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000121591380 394800938 /nfs/dbraw/zinc/80/09/38/394800938.db2.gz XBGWIHRXZPVZFS-OAHLLOKOSA-N 1 2 286.375 2.430 20 30 CEEDLO COc1cc[nH+]cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000129603929 394869268 /nfs/dbraw/zinc/86/92/68/394869268.db2.gz QZNIXJBJJZSCPF-UHFFFAOYSA-N 1 2 289.241 2.492 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC(C)(C#N)C2)c1 ZINC000336412044 394852244 /nfs/dbraw/zinc/85/22/44/394852244.db2.gz SRZRWLKARXQAGW-UHFFFAOYSA-N 1 2 280.331 2.166 20 30 CEEDLO N#CCCOCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000338958937 394934187 /nfs/dbraw/zinc/93/41/87/394934187.db2.gz WNNFCDJLTQLRJI-OAHLLOKOSA-N 1 2 296.317 2.268 20 30 CEEDLO N#CCCOCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000338958937 394934193 /nfs/dbraw/zinc/93/41/93/394934193.db2.gz WNNFCDJLTQLRJI-OAHLLOKOSA-N 1 2 296.317 2.268 20 30 CEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCc3ccsc3C2)cc1 ZINC000132824742 394937283 /nfs/dbraw/zinc/93/72/83/394937283.db2.gz GLBCHTJHVYHEOO-OAHLLOKOSA-N 1 2 297.383 2.204 20 30 CEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCc3ccsc3C2)cc1 ZINC000132824742 394937287 /nfs/dbraw/zinc/93/72/87/394937287.db2.gz GLBCHTJHVYHEOO-OAHLLOKOSA-N 1 2 297.383 2.204 20 30 CEEDLO N#C[C@@H]1N(CCCn2cc[nH+]c2)CCC[C@@]12CCCCO2 ZINC000366091718 394937535 /nfs/dbraw/zinc/93/75/35/394937535.db2.gz MFDHQRMPVWAWFW-HOTGVXAUSA-N 1 2 288.395 2.200 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000366093694 394937766 /nfs/dbraw/zinc/93/77/66/394937766.db2.gz OYOOPWYAWZMYEQ-SRVKXCTJSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000366093694 394937770 /nfs/dbraw/zinc/93/77/70/394937770.db2.gz OYOOPWYAWZMYEQ-SRVKXCTJSA-N 1 2 290.201 2.163 20 30 CEEDLO OC[C@]1(F)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286724094 395027489 /nfs/dbraw/zinc/02/74/89/395027489.db2.gz COIYSTUVOHOXPG-HNNXBMFYSA-N 1 2 281.758 2.488 20 30 CEEDLO OC[C@]1(F)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000286724094 395027493 /nfs/dbraw/zinc/02/74/93/395027493.db2.gz COIYSTUVOHOXPG-HNNXBMFYSA-N 1 2 281.758 2.488 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000339762401 394970513 /nfs/dbraw/zinc/97/05/13/394970513.db2.gz BFOSVELQOSWQLR-CQSZACIVSA-N 1 2 288.391 2.170 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000339762401 394970514 /nfs/dbraw/zinc/97/05/14/394970514.db2.gz BFOSVELQOSWQLR-CQSZACIVSA-N 1 2 288.391 2.170 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000339762010 394970654 /nfs/dbraw/zinc/97/06/54/394970654.db2.gz VZZHAJAOJZYBFB-UHFFFAOYSA-N 1 2 250.386 2.121 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000339762010 394970658 /nfs/dbraw/zinc/97/06/58/394970658.db2.gz VZZHAJAOJZYBFB-UHFFFAOYSA-N 1 2 250.386 2.121 20 30 CEEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)c3ccccc3)C2)cc1 ZINC000158579390 395048941 /nfs/dbraw/zinc/04/89/41/395048941.db2.gz VDGPKLBIMZSABT-GOSISDBHSA-N 1 2 294.354 2.355 20 30 CEEDLO Cc1cc(N[C@@H](C)COCC(F)(F)F)c(C#N)c[nH+]1 ZINC000425212997 395052270 /nfs/dbraw/zinc/05/22/70/395052270.db2.gz GMINDYTWDGQWHV-VIFPVBQESA-N 1 2 273.258 2.063 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425259515 395054629 /nfs/dbraw/zinc/05/46/29/395054629.db2.gz MFPFCDDGTDREDZ-DOMZBBRYSA-N 1 2 257.337 2.077 20 30 CEEDLO Cc1cc(NCCC[C@H]2CCCC[C@@H]2O)c(C#N)c[nH+]1 ZINC000425247422 395054658 /nfs/dbraw/zinc/05/46/58/395054658.db2.gz ZOIAZBQPKLWKTE-CJNGLKHVSA-N 1 2 273.380 2.427 20 30 CEEDLO C#C[C@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)(C)C ZINC000288737554 395065467 /nfs/dbraw/zinc/06/54/67/395065467.db2.gz 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286.379 2.290 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)[C@H](C)COC ZINC000661242009 415154580 /nfs/dbraw/zinc/15/45/80/415154580.db2.gz GOGRJJQNCUYEKF-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)[C@H](C)COC ZINC000661242009 415154582 /nfs/dbraw/zinc/15/45/82/415154582.db2.gz GOGRJJQNCUYEKF-LLVKDONJSA-N 1 2 298.333 2.426 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)nn1 ZINC000653776523 415098780 /nfs/dbraw/zinc/09/87/80/415098780.db2.gz KEYLHELLLRTAMB-AWEZNQCLSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)nn1 ZINC000653776523 415098782 /nfs/dbraw/zinc/09/87/82/415098782.db2.gz KEYLHELLLRTAMB-AWEZNQCLSA-N 1 2 290.411 2.388 20 30 CEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1c[nH+]ccc1OC ZINC000661229043 415143656 /nfs/dbraw/zinc/14/36/56/415143656.db2.gz XLYSMBKKAMDIBL-OKILXGFUSA-N 1 2 287.363 2.483 20 30 CEEDLO C=CCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000664228265 415234775 /nfs/dbraw/zinc/23/47/75/415234775.db2.gz PECQZCYUGIUHBY-UHFFFAOYSA-N 1 2 250.371 2.018 20 30 CEEDLO C=CCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000664228265 415234782 /nfs/dbraw/zinc/23/47/82/415234782.db2.gz PECQZCYUGIUHBY-UHFFFAOYSA-N 1 2 250.371 2.018 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664589628 415413537 /nfs/dbraw/zinc/41/35/37/415413537.db2.gz LDZQWPLWIAUBHG-KKUMJFAQSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664589628 415413541 /nfs/dbraw/zinc/41/35/41/415413541.db2.gz LDZQWPLWIAUBHG-KKUMJFAQSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)C1 ZINC000655795796 415473204 /nfs/dbraw/zinc/47/32/04/415473204.db2.gz BTAZFHMZJHDXNI-FRRDWIJNSA-N 1 2 276.384 2.491 20 30 CEEDLO C=CCN(C(=O)N[C@@H](C)c1[nH+]ccn1CC)[C@H](C)COC ZINC000665045012 415563005 /nfs/dbraw/zinc/56/30/05/415563005.db2.gz ATZRYPXUVDWTFI-OLZOCXBDSA-N 1 2 294.399 2.197 20 30 CEEDLO C=CCOCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000656154898 415615104 /nfs/dbraw/zinc/61/51/04/415615104.db2.gz AZDMAGYLQAAJLG-UHFFFAOYSA-N 1 2 263.341 2.286 20 30 CEEDLO C=CCCCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662097443 415626576 /nfs/dbraw/zinc/62/65/76/415626576.db2.gz XJJSCXFJZMBDAW-NSHDSACASA-N 1 2 250.346 2.089 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCc3nccnc3C2)cc1 ZINC000662122857 415637503 /nfs/dbraw/zinc/63/75/03/415637503.db2.gz OCKVBOQTDLMRDK-UHFFFAOYSA-N 1 2 267.307 2.026 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCc3nccnc3C2)cc1 ZINC000662122857 415637512 /nfs/dbraw/zinc/63/75/12/415637512.db2.gz OCKVBOQTDLMRDK-UHFFFAOYSA-N 1 2 267.307 2.026 20 30 CEEDLO C=CCC1(NC(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000656551709 415760091 /nfs/dbraw/zinc/76/00/91/415760091.db2.gz GSKSERGTASKSSR-UHFFFAOYSA-N 1 2 276.384 2.461 20 30 CEEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329907281 287321905 /nfs/dbraw/zinc/32/19/05/287321905.db2.gz KUOLSAJQIUYZAB-KBPBESRZSA-N 1 2 296.411 2.013 20 30 CEEDLO CC[C@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000077250522 177239674 /nfs/dbraw/zinc/23/96/74/177239674.db2.gz PLIIGYYPDHGDJL-AWEZNQCLSA-N 1 2 290.363 2.056 20 30 CEEDLO CC[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000077250522 177239675 /nfs/dbraw/zinc/23/96/75/177239675.db2.gz PLIIGYYPDHGDJL-AWEZNQCLSA-N 1 2 290.363 2.056 20 30 CEEDLO C[C@H](C#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000347136031 226041671 /nfs/dbraw/zinc/04/16/71/226041671.db2.gz NRKQCDLENCWVDR-CHWSQXEVSA-N 1 2 287.363 2.178 20 30 CEEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccncn1 ZINC000354478512 227011574 /nfs/dbraw/zinc/01/15/74/227011574.db2.gz VEYSYYNYAMDJRS-AWEZNQCLSA-N 1 2 289.298 2.152 20 30 CEEDLO C[C@]1(C(=O)NCc2cn3c([nH+]2)CCCC3)CCOC1 ZINC000329696182 227882879 /nfs/dbraw/zinc/88/28/79/227882879.db2.gz XVFNKLHGGWNOFT-AWEZNQCLSA-N 1 2 263.341 2.103 20 30 CEEDLO COC1(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330050698 228027832 /nfs/dbraw/zinc/02/78/32/228027832.db2.gz MDTLNFBLLOTVLR-NSHDSACASA-N 1 2 263.341 2.114 20 30 CEEDLO O=C(C[C@@H]1CCCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330303133 228121520 /nfs/dbraw/zinc/12/15/20/228121520.db2.gz JSTGHHXVRXTPOT-RYUDHWBXSA-N 1 2 263.341 2.114 20 30 CEEDLO Cc1nnccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330134177 228047241 /nfs/dbraw/zinc/04/72/41/228047241.db2.gz RSRWPDMKCHOHQJ-LBPRGKRZSA-N 1 2 286.339 2.281 20 30 CEEDLO [O-]C(NC1CCC(F)(F)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330177186 228056178 /nfs/dbraw/zinc/05/61/78/228056178.db2.gz CVJWVSHNJVVVMG-NSHDSACASA-N 1 2 298.337 2.279 20 30 CEEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCC(F)(F)CC1 ZINC000330177186 228056179 /nfs/dbraw/zinc/05/61/79/228056179.db2.gz CVJWVSHNJVVVMG-NSHDSACASA-N 1 2 298.337 2.279 20 30 CEEDLO Cc1nc(C2CC2)oc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330266843 228085717 /nfs/dbraw/zinc/08/57/17/228085717.db2.gz AHYKKNFZVVVYEN-NSHDSACASA-N 1 2 286.335 2.377 20 30 CEEDLO Cc1nc([C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)no1 ZINC000332360554 228157058 /nfs/dbraw/zinc/15/70/58/228157058.db2.gz UYLGULJSBFBFFJ-OAHLLOKOSA-N 1 2 298.346 2.018 20 30 CEEDLO Cc1nc([C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)no1 ZINC000332360554 228157059 /nfs/dbraw/zinc/15/70/59/228157059.db2.gz UYLGULJSBFBFFJ-OAHLLOKOSA-N 1 2 298.346 2.018 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666456831 419677097 /nfs/dbraw/zinc/67/70/97/419677097.db2.gz XLVVQGOSAGEZIU-HNNXBMFYSA-N 1 2 297.358 2.372 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667547449 419706545 /nfs/dbraw/zinc/70/65/45/419706545.db2.gz LYUPXGQSJGDDLX-NXEZZACHSA-N 1 2 287.285 2.101 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)OC)c1C#N ZINC000517755219 260176887 /nfs/dbraw/zinc/17/68/87/260176887.db2.gz REGXNBUUGPGVDU-LBPRGKRZSA-N 1 2 271.320 2.127 20 30 CEEDLO CCc1nc(CO[NH+]=C(N)c2cccc(Cl)c2)no1 ZINC000067097780 260250543 /nfs/dbraw/zinc/25/05/43/260250543.db2.gz WEPVZYGAWGONRC-UHFFFAOYSA-N 1 2 280.715 2.123 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)OC ZINC000361115870 261163004 /nfs/dbraw/zinc/16/30/04/261163004.db2.gz YRWLOKCLGMSSNX-SYQHCUMBSA-N 1 2 269.385 2.145 20 30 CEEDLO C#CCN(CC#CC)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490714311 261191691 /nfs/dbraw/zinc/19/16/91/261191691.db2.gz OOYNREKZRXUAHL-CQSZACIVSA-N 1 2 297.402 2.123 20 30 CEEDLO C#CCN(CC#CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490714311 261191692 /nfs/dbraw/zinc/19/16/92/261191692.db2.gz OOYNREKZRXUAHL-CQSZACIVSA-N 1 2 297.402 2.123 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1CCCCC1 ZINC000249931718 261260392 /nfs/dbraw/zinc/26/03/92/261260392.db2.gz DUOLHVXNJNYCAM-CHWSQXEVSA-N 1 2 265.401 2.305 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1CCCCC1 ZINC000249931718 261260395 /nfs/dbraw/zinc/26/03/95/261260395.db2.gz DUOLHVXNJNYCAM-CHWSQXEVSA-N 1 2 265.401 2.305 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000491264383 261393394 /nfs/dbraw/zinc/39/33/94/261393394.db2.gz GLIYISQKEBCSOW-NSHDSACASA-N 1 2 287.388 2.497 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000491264383 261393396 /nfs/dbraw/zinc/39/33/96/261393396.db2.gz GLIYISQKEBCSOW-NSHDSACASA-N 1 2 287.388 2.497 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000182451412 261938431 /nfs/dbraw/zinc/93/84/31/261938431.db2.gz MSQKJROVWXVYES-LBPRGKRZSA-N 1 2 282.771 2.234 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000182451412 261938432 /nfs/dbraw/zinc/93/84/32/261938432.db2.gz MSQKJROVWXVYES-LBPRGKRZSA-N 1 2 282.771 2.234 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000364059098 262128224 /nfs/dbraw/zinc/12/82/24/262128224.db2.gz VYOPWHPDVGGJGP-DGCLKSJQSA-N 1 2 261.369 2.225 20 30 CEEDLO Cc1ccc(C(N)=[NH+]OCCO[C@@H]2CCCCO2)cc1F ZINC000194713079 262241849 /nfs/dbraw/zinc/24/18/49/262241849.db2.gz UIZLUUSXSVFVJA-CQSZACIVSA-N 1 2 296.342 2.314 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488485470 262327890 /nfs/dbraw/zinc/32/78/90/262327890.db2.gz YOPSWFWYGPRLAA-QWHCGFSZSA-N 1 2 276.384 2.242 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc12 ZINC000336840341 262399760 /nfs/dbraw/zinc/39/97/60/262399760.db2.gz WPFAYGSZXPYFCX-NSHDSACASA-N 1 2 283.379 2.401 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc12 ZINC000336840341 262399761 /nfs/dbraw/zinc/39/97/61/262399761.db2.gz WPFAYGSZXPYFCX-NSHDSACASA-N 1 2 283.379 2.401 20 30 CEEDLO Cc1ccc2ccccc2c1CO[NH+]=C(N)CCO ZINC000275445375 263033402 /nfs/dbraw/zinc/03/34/02/263033402.db2.gz HZXKXCMLGDVXJB-UHFFFAOYSA-N 1 2 258.321 2.319 20 30 CEEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCC#N ZINC000275716901 263034102 /nfs/dbraw/zinc/03/41/02/263034102.db2.gz NEBYTBKBHIIVBO-CQSZACIVSA-N 1 2 278.327 2.193 20 30 CEEDLO C[C@@H](CCC#N)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000276342725 263036449 /nfs/dbraw/zinc/03/64/49/263036449.db2.gz UNDNKXHRMPZJQR-AWEZNQCLSA-N 1 2 273.380 2.202 20 30 CEEDLO Cc1nc(CC(N)=[NH+]OCCCC2CCOCC2)cs1 ZINC000279066342 263052535 /nfs/dbraw/zinc/05/25/35/263052535.db2.gz AABGIXHZSAKWAW-UHFFFAOYSA-N 1 2 297.424 2.490 20 30 CEEDLO COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CCCCC#N ZINC000281114893 263066642 /nfs/dbraw/zinc/06/66/42/263066642.db2.gz XWCHXPRMYPQCLK-HNNXBMFYSA-N 1 2 274.364 2.363 20 30 CEEDLO COc1cc(CO[NH+]=C(N)[C@@H]2CCCO2)ccc1SC ZINC000283850590 263084613 /nfs/dbraw/zinc/08/46/13/263084613.db2.gz BYBHHDKSEFYEAT-NSHDSACASA-N 1 2 296.392 2.385 20 30 CEEDLO NC(=[NH+]OCCSc1ccccc1)[C@H]1CCCO1 ZINC000284046482 263085502 /nfs/dbraw/zinc/08/55/02/263085502.db2.gz JCZOFDPKNPFMQC-GFCCVEGCSA-N 1 2 266.366 2.247 20 30 CEEDLO NC(=[NH+]OCc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000284416559 263086768 /nfs/dbraw/zinc/08/67/68/263086768.db2.gz NYBVFKDBFANHGA-NSHDSACASA-N 1 2 272.707 2.447 20 30 CEEDLO NC(COc1ccccc1)=[NH+]OCCCCCF ZINC000284494632 263087161 /nfs/dbraw/zinc/08/71/61/263087161.db2.gz SNPBUWYOWKUPNY-UHFFFAOYSA-N 1 2 254.305 2.494 20 30 CEEDLO COCC1(C/[NH+]=C/c2cccc(OC)c2O)CCOCC1 ZINC000292132594 263128926 /nfs/dbraw/zinc/12/89/26/263128926.db2.gz SPBSVEWOJOJVGB-LICLKQGHSA-N 1 2 293.363 2.263 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCC#N)c1C ZINC000292416499 263131970 /nfs/dbraw/zinc/13/19/70/263131970.db2.gz SZDRJOWIQMGHGU-UHFFFAOYSA-N 1 2 275.352 2.359 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000292768835 263134928 /nfs/dbraw/zinc/13/49/28/263134928.db2.gz JLJVDAVGDZGFRK-LXTVHRRPSA-N 1 2 290.363 2.096 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000292768835 263134929 /nfs/dbraw/zinc/13/49/29/263134929.db2.gz JLJVDAVGDZGFRK-LXTVHRRPSA-N 1 2 290.363 2.096 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293423872 263140064 /nfs/dbraw/zinc/14/00/64/263140064.db2.gz IVUJMWGRRVAVNN-ZWKOTPCHSA-N 1 2 294.402 2.368 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120155713 263281364 /nfs/dbraw/zinc/28/13/64/263281364.db2.gz NGBJDFZBZGMFTL-OLZOCXBDSA-N 1 2 277.368 2.445 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000341974990 263369133 /nfs/dbraw/zinc/36/91/33/263369133.db2.gz INNJFWAPOIMGGX-UHFFFAOYSA-N 1 2 284.363 2.315 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000416702936 263750812 /nfs/dbraw/zinc/75/08/12/263750812.db2.gz ZNYWXLBSWNVLEL-ZDUSSCGKSA-N 1 2 298.390 2.332 20 30 CEEDLO [O-]C(=[NH+]C[C@H]1CCCC(F)(F)C1)N1CCn2cc[nH+]c2C1 ZINC000328729240 263862036 /nfs/dbraw/zinc/86/20/36/263862036.db2.gz VXWJMVJGQLQYQU-NSHDSACASA-N 1 2 298.337 2.438 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000330699140 264006049 /nfs/dbraw/zinc/00/60/49/264006049.db2.gz GZKGHJILQHWJAB-UHFFFAOYSA-N 1 2 290.371 2.049 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330851039 264067893 /nfs/dbraw/zinc/06/78/93/264067893.db2.gz QIBJSUBJPVQHIE-GXTWGEPZSA-N 1 2 255.321 2.349 20 30 CEEDLO CC[C@](C)(O)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331062665 264110860 /nfs/dbraw/zinc/11/08/60/264110860.db2.gz OJOAEFGRKQXCHX-HNNXBMFYSA-N 1 2 275.352 2.347 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)NCC#Cc2ccccc2)c2[nH+]ccn21 ZINC000514582722 266003984 /nfs/dbraw/zinc/00/39/84/266003984.db2.gz UNQKIOYBEIASMX-HIFRSBDPSA-N 1 2 294.358 2.240 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1cccs1 ZINC000356475611 266122405 /nfs/dbraw/zinc/12/24/05/266122405.db2.gz MUUNDDKDQANZDC-OLZOCXBDSA-N 1 2 293.436 2.277 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1cccs1 ZINC000356475611 266122409 /nfs/dbraw/zinc/12/24/09/266122409.db2.gz MUUNDDKDQANZDC-OLZOCXBDSA-N 1 2 293.436 2.277 20 30 CEEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC#N)c(C)c1 ZINC000357675514 266344571 /nfs/dbraw/zinc/34/45/71/266344571.db2.gz QZACKLMJOOITNA-HNNXBMFYSA-N 1 2 282.347 2.271 20 30 CEEDLO C=C(Br)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000362163804 266935725 /nfs/dbraw/zinc/93/57/25/266935725.db2.gz ULYOXFUNKRTRFS-NSHDSACASA-N 1 2 291.258 2.018 20 30 CEEDLO C=CCN(CC)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000368794788 267206114 /nfs/dbraw/zinc/20/61/14/267206114.db2.gz KVPKWOWPWOKRNK-AWEZNQCLSA-N 1 2 273.380 2.333 20 30 CEEDLO C=C(Cl)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000368913290 267213120 /nfs/dbraw/zinc/21/31/20/267213120.db2.gz KWHRWNNXJCVFTB-NSHDSACASA-N 1 2 282.775 2.062 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COc1ccc(C#N)cc1 ZINC000456345208 267257141 /nfs/dbraw/zinc/25/71/41/267257141.db2.gz HVSITGLGCUFOML-GFCCVEGCSA-N 1 2 298.346 2.031 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369849550 267272203 /nfs/dbraw/zinc/27/22/03/267272203.db2.gz CJHJTUKCTNJGSA-GXTWGEPZSA-N 1 2 294.358 2.141 20 30 CEEDLO CN(C)c1ccc(CNC(=O)c2cccc(F)c2C#N)c[nH+]1 ZINC000489664779 267293029 /nfs/dbraw/zinc/29/30/29/267293029.db2.gz XCTICPIZLHKEFR-UHFFFAOYSA-N 1 2 298.321 2.088 20 30 CEEDLO Cc1cc(NCc2ccc(C)c(C)n2)c(C#N)c[nH+]1 ZINC000399435829 267300166 /nfs/dbraw/zinc/30/01/66/267300166.db2.gz KMBNIVMODUIEPN-UHFFFAOYSA-N 1 2 252.321 2.308 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000459459166 267311895 /nfs/dbraw/zinc/31/18/95/267311895.db2.gz HPAVFYWOCNERBN-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000459459166 267311898 /nfs/dbraw/zinc/31/18/98/267311898.db2.gz HPAVFYWOCNERBN-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374278068 267772036 /nfs/dbraw/zinc/77/20/36/267772036.db2.gz DFLYPQYEMCHASP-GFCCVEGCSA-N 1 2 262.357 2.071 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374362393 267784317 /nfs/dbraw/zinc/78/43/17/267784317.db2.gz ZYXNKZYWLIBZLF-MRXNPFEDSA-N 1 2 285.391 2.323 20 30 CEEDLO Cc1cc(NCCc2nnc(C(C)C)s2)c(C#N)c[nH+]1 ZINC000425272817 267951168 /nfs/dbraw/zinc/95/11/68/267951168.db2.gz XMUBSBANQVHPLB-UHFFFAOYSA-N 1 2 287.392 2.313 20 30 CEEDLO Cc1cc(N(C)CCc2nccs2)c(C#N)c[nH+]1 ZINC000425246499 268005223 /nfs/dbraw/zinc/00/52/23/268005223.db2.gz LPQDJWUUNMFHGB-UHFFFAOYSA-N 1 2 258.350 2.397 20 30 CEEDLO COCC[C@H](C)C[NH2+][C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000419308375 270440107 /nfs/dbraw/zinc/44/01/07/270440107.db2.gz FGBHDFXUWNGPCL-WFASDCNBSA-N 1 2 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/nfs/dbraw/zinc/20/82/29/332208229.db2.gz QDULFHZGXXCDML-ZDUSSCGKSA-N 1 2 285.322 2.317 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000491554644 332237062 /nfs/dbraw/zinc/23/70/62/332237062.db2.gz LAAUJQJOKDBGFG-CQSZACIVSA-N 1 2 252.317 2.069 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccnc2ccccc12 ZINC000491554644 332237063 /nfs/dbraw/zinc/23/70/63/332237063.db2.gz LAAUJQJOKDBGFG-CQSZACIVSA-N 1 2 252.317 2.069 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2cccnc2)n1 ZINC000491657757 332268927 /nfs/dbraw/zinc/26/89/27/332268927.db2.gz VGCWFZLZSMUFMT-HNNXBMFYSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2cccnc2)n1 ZINC000491657757 332268928 /nfs/dbraw/zinc/26/89/28/332268928.db2.gz VGCWFZLZSMUFMT-HNNXBMFYSA-N 1 2 298.390 2.121 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1nccc(N)n1 ZINC000491682920 332285636 /nfs/dbraw/zinc/28/56/36/332285636.db2.gz VRDFFRNHZCNRGS-ZDUSSCGKSA-N 1 2 266.348 2.086 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nccc(N)n1 ZINC000491682920 332285637 /nfs/dbraw/zinc/28/56/37/332285637.db2.gz VRDFFRNHZCNRGS-ZDUSSCGKSA-N 1 2 266.348 2.086 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccccc1 ZINC000491709696 332301998 /nfs/dbraw/zinc/30/19/98/332301998.db2.gz RFWBTLPYGWPSFF-UHFFFAOYSA-N 1 2 298.308 2.143 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccccc1 ZINC000491709696 332301999 /nfs/dbraw/zinc/30/19/99/332301999.db2.gz RFWBTLPYGWPSFF-UHFFFAOYSA-N 1 2 298.308 2.143 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000491778335 332343443 /nfs/dbraw/zinc/34/34/43/332343443.db2.gz IMVVYIRGBLUMTN-HNNXBMFYSA-N 1 2 272.392 2.377 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000491778335 332343444 /nfs/dbraw/zinc/34/34/44/332343444.db2.gz IMVVYIRGBLUMTN-HNNXBMFYSA-N 1 2 272.392 2.377 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000491792858 332353459 /nfs/dbraw/zinc/35/34/59/332353459.db2.gz HSWAPYIBZZIVIW-ZDUSSCGKSA-N 1 2 290.407 2.278 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)n(CCCOC)c1C ZINC000491792858 332353460 /nfs/dbraw/zinc/35/34/60/332353460.db2.gz HSWAPYIBZZIVIW-ZDUSSCGKSA-N 1 2 290.407 2.278 20 30 CEEDLO C#C[C@H](C)N(C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000491809168 332362016 /nfs/dbraw/zinc/36/20/16/332362016.db2.gz GEUQLWHBNPNMJM-JTQLQIEISA-N 1 2 290.754 2.151 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C(=O)OC)C1CC1 ZINC000491820861 332370450 /nfs/dbraw/zinc/37/04/50/332370450.db2.gz TWLLSFNNJGRWIQ-HNNXBMFYSA-N 1 2 257.333 2.073 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C(=O)OC)C1CC1 ZINC000491820861 332370451 /nfs/dbraw/zinc/37/04/51/332370451.db2.gz TWLLSFNNJGRWIQ-HNNXBMFYSA-N 1 2 257.333 2.073 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)CC(C)C ZINC000492408832 332395976 /nfs/dbraw/zinc/39/59/76/332395976.db2.gz ONHXWFZGYAFNDI-XHPSBEMXSA-N 1 2 274.368 2.361 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC(CC#N)CC1 ZINC000492411542 332396233 /nfs/dbraw/zinc/39/62/33/332396233.db2.gz UECCYMXRQGBDDH-ARJAWSKDSA-N 1 2 272.352 2.068 20 30 CEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492870229 332416955 /nfs/dbraw/zinc/41/69/55/332416955.db2.gz VQGHFYFDLGRWGJ-MLRMMBSGSA-N 1 2 282.303 2.352 20 30 CEEDLO CC(C)(C)CN(CCC#N)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493299590 332434534 /nfs/dbraw/zinc/43/45/34/332434534.db2.gz KARWBGJTHRHAQL-AATRIKPKSA-N 1 2 260.341 2.211 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC(C)(C#N)C2)C1 ZINC000496712774 332557662 /nfs/dbraw/zinc/55/76/62/332557662.db2.gz AUFHHMRIBGZEFJ-ZDUSSCGKSA-N 1 2 293.411 2.479 20 30 CEEDLO CC(C)COC(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000497018313 332567540 /nfs/dbraw/zinc/56/75/40/332567540.db2.gz HPJXWIYDPZRDSR-ZDUSSCGKSA-N 1 2 267.373 2.089 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000174692107 333005697 /nfs/dbraw/zinc/00/56/97/333005697.db2.gz XNNDCVIJAKXYBX-OKILXGFUSA-N 1 2 277.412 2.402 20 30 CEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000174692107 333005698 /nfs/dbraw/zinc/00/56/98/333005698.db2.gz XNNDCVIJAKXYBX-OKILXGFUSA-N 1 2 277.412 2.402 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)C#N)c1 ZINC000524677005 333370881 /nfs/dbraw/zinc/37/08/81/333370881.db2.gz BWZJIPCLRBHTQU-LBPRGKRZSA-N 1 2 268.320 2.070 20 30 CEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)C#N)c1 ZINC000524677004 333370917 /nfs/dbraw/zinc/37/09/17/333370917.db2.gz BWZJIPCLRBHTQU-GFCCVEGCSA-N 1 2 268.320 2.070 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000079831848 334163243 /nfs/dbraw/zinc/16/32/43/334163243.db2.gz WHDAXBUVPGGXPZ-CYBMUJFWSA-N 1 2 291.370 2.266 20 30 CEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000079831848 334163245 /nfs/dbraw/zinc/16/32/45/334163245.db2.gz WHDAXBUVPGGXPZ-CYBMUJFWSA-N 1 2 291.370 2.266 20 30 CEEDLO C=C(C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000568356823 334818991 /nfs/dbraw/zinc/81/89/91/334818991.db2.gz HFSMRNYQWNXMSA-UHFFFAOYSA-N 1 2 257.337 2.268 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000568528207 334829212 /nfs/dbraw/zinc/82/92/12/334829212.db2.gz ANOGMJBYXJOBKQ-FZMZJTMJSA-N 1 2 287.363 2.498 20 30 CEEDLO COc1ccccc1-c1ncc(C[NH2+]C[C@H](C)C#N)cn1 ZINC000568584592 334831458 /nfs/dbraw/zinc/83/14/58/334831458.db2.gz PTOUGNGQRFXNGQ-GFCCVEGCSA-N 1 2 282.347 2.401 20 30 CEEDLO CCCC[C@@H](CC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576470370 335208347 /nfs/dbraw/zinc/20/83/47/335208347.db2.gz XHSUBZXQXWRPIU-TZMCWYRMSA-N 1 2 253.390 2.163 20 30 CEEDLO CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nccs1 ZINC000185062765 335945274 /nfs/dbraw/zinc/94/52/74/335945274.db2.gz UWMFBJZTMXVTRZ-RISCZKNCSA-N 1 2 294.424 2.238 20 30 CEEDLO C=CC(C)(C)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000580816588 335970144 /nfs/dbraw/zinc/97/01/44/335970144.db2.gz PVQKPTQFZHGSGC-UHFFFAOYSA-N 1 2 264.373 2.175 20 30 CEEDLO N#CCC1(CNc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000581226497 336027301 /nfs/dbraw/zinc/02/73/01/336027301.db2.gz RIQLBJHCSPHQKB-UHFFFAOYSA-N 1 2 289.408 2.136 20 30 CEEDLO N#CCC1(CNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000581226497 336027302 /nfs/dbraw/zinc/02/73/02/336027302.db2.gz RIQLBJHCSPHQKB-UHFFFAOYSA-N 1 2 289.408 2.136 20 30 CEEDLO CCc1nc(C[N@H+](C)CCOCCC#N)cs1 ZINC000385290725 336143727 /nfs/dbraw/zinc/14/37/27/336143727.db2.gz IJPKWXWQTNUSKK-UHFFFAOYSA-N 1 2 253.371 2.068 20 30 CEEDLO CCc1nc(C[N@@H+](C)CCOCCC#N)cs1 ZINC000385290725 336143728 /nfs/dbraw/zinc/14/37/28/336143728.db2.gz IJPKWXWQTNUSKK-UHFFFAOYSA-N 1 2 253.371 2.068 20 30 CEEDLO COc1cc(C[N@H+](C)CC2(C#N)CC2)cc(OC)c1 ZINC000347477998 533782334 /nfs/dbraw/zinc/78/23/34/533782334.db2.gz LBNAICFQEWMCFY-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1cc(C[N@@H+](C)CC2(C#N)CC2)cc(OC)c1 ZINC000347477998 533782344 /nfs/dbraw/zinc/78/23/44/533782344.db2.gz LBNAICFQEWMCFY-UHFFFAOYSA-N 1 2 260.337 2.439 20 30 CEEDLO COc1cc(C[NH2+][C@@H](C)c2nc(C)no2)ccc1C#N ZINC000357295281 533894416 /nfs/dbraw/zinc/89/44/16/533894416.db2.gz JQMCWJZXSNWOAK-VIFPVBQESA-N 1 2 272.308 2.109 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000055928364 518271203 /nfs/dbraw/zinc/27/12/03/518271203.db2.gz ITNSNYHQKHVYAX-UHFFFAOYSA-N 1 2 297.185 2.384 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000049340835 518706099 /nfs/dbraw/zinc/70/60/99/518706099.db2.gz ZXLNNUSYTAAHBN-JTQLQIEISA-N 1 2 295.408 2.051 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000049340835 518706105 /nfs/dbraw/zinc/70/61/05/518706105.db2.gz ZXLNNUSYTAAHBN-JTQLQIEISA-N 1 2 295.408 2.051 20 30 CEEDLO Cc1occc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000414375162 534571544 /nfs/dbraw/zinc/57/15/44/534571544.db2.gz XXAZZTJBNMMYPH-UHFFFAOYSA-N 1 2 282.347 2.177 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCCO2)CCO1 ZINC000330327139 534814065 /nfs/dbraw/zinc/81/40/65/534814065.db2.gz KRKHQLSUVUSGMX-BNOWGMLFSA-N 1 2 293.367 2.166 20 30 CEEDLO N#Cc1csc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)n1 ZINC000414479721 534829409 /nfs/dbraw/zinc/82/94/09/534829409.db2.gz BCRDQUSPLLYMHH-ZIAGYGMSSA-N 1 2 285.372 2.323 20 30 CEEDLO N#Cc1csc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)n1 ZINC000414479721 534829414 /nfs/dbraw/zinc/82/94/14/534829414.db2.gz BCRDQUSPLLYMHH-ZIAGYGMSSA-N 1 2 285.372 2.323 20 30 CEEDLO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)N(C)CCC#N ZINC000052446494 526004629 /nfs/dbraw/zinc/00/46/29/526004629.db2.gz SASJDSPNLMDFNB-NSHDSACASA-N 1 2 288.376 2.187 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)CC)Cc1ccc(CO)o1 ZINC000352870833 526510149 /nfs/dbraw/zinc/51/01/49/526510149.db2.gz SMFRJMREBMAAAX-CYBMUJFWSA-N 1 2 294.395 2.065 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)CC)Cc1ccc(CO)o1 ZINC000352870833 526510154 /nfs/dbraw/zinc/51/01/54/526510154.db2.gz SMFRJMREBMAAAX-CYBMUJFWSA-N 1 2 294.395 2.065 20 30 CEEDLO C=C(C)COCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351930065 526646208 /nfs/dbraw/zinc/64/62/08/526646208.db2.gz CUWWSBDBQQPIHA-UHFFFAOYSA-N 1 2 263.341 2.413 20 30 CEEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330237617 527913577 /nfs/dbraw/zinc/91/35/77/527913577.db2.gz APFYWDNWSZGBPU-GZBFAFLISA-N 1 2 291.395 2.463 20 30 CEEDLO CCOC(=O)[C@H](C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000347219278 527957969 /nfs/dbraw/zinc/95/79/69/527957969.db2.gz HYVRAQIRDDOYJW-NSHDSACASA-N 1 2 252.358 2.342 20 30 CEEDLO CCOC(=O)[C@H](C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000347219278 527957974 /nfs/dbraw/zinc/95/79/74/527957974.db2.gz HYVRAQIRDDOYJW-NSHDSACASA-N 1 2 252.358 2.342 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352545818 528375565 /nfs/dbraw/zinc/37/55/65/528375565.db2.gz MBAIOJWIGDAQFS-UHFFFAOYSA-N 1 2 263.297 2.339 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352545818 528375570 /nfs/dbraw/zinc/37/55/70/528375570.db2.gz MBAIOJWIGDAQFS-UHFFFAOYSA-N 1 2 263.297 2.339 20 30 CEEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000152631223 528939133 /nfs/dbraw/zinc/93/91/33/528939133.db2.gz SGNHBPZWGAXORV-UHFFFAOYSA-N 1 2 287.344 2.168 20 30 CEEDLO CC1(C)CCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330200172 528965432 /nfs/dbraw/zinc/96/54/32/528965432.db2.gz WKHMKUNCKQIXMB-RYUDHWBXSA-N 1 2 276.384 2.280 20 30 CEEDLO CC1(C)CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330200172 528965438 /nfs/dbraw/zinc/96/54/38/528965438.db2.gz WKHMKUNCKQIXMB-RYUDHWBXSA-N 1 2 276.384 2.280 20 30 CEEDLO CCCCCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000726985782 574442682 /nfs/dbraw/zinc/44/26/82/574442682.db2.gz QCUKVJAMCQQXLY-OAHLLOKOSA-N 1 2 283.460 2.099 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738076989 574450354 /nfs/dbraw/zinc/45/03/54/574450354.db2.gz RDPOZIMCBXSCCJ-CYBMUJFWSA-N 1 2 296.440 2.224 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738076989 574450355 /nfs/dbraw/zinc/45/03/55/574450355.db2.gz RDPOZIMCBXSCCJ-CYBMUJFWSA-N 1 2 296.440 2.224 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729932282 574496279 /nfs/dbraw/zinc/49/62/79/574496279.db2.gz XFXZZXGMICVBJS-LLVKDONJSA-N 1 2 270.174 2.429 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729932282 574496281 /nfs/dbraw/zinc/49/62/81/574496281.db2.gz XFXZZXGMICVBJS-LLVKDONJSA-N 1 2 270.174 2.429 20 30 CEEDLO C=C(Br)CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729932282 574496283 /nfs/dbraw/zinc/49/62/83/574496283.db2.gz XFXZZXGMICVBJS-LLVKDONJSA-N 1 2 270.174 2.429 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000730094888 574501250 /nfs/dbraw/zinc/50/12/50/574501250.db2.gz WWBRKUKMKNQJTP-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000730094888 574501251 /nfs/dbraw/zinc/50/12/51/574501251.db2.gz WWBRKUKMKNQJTP-HNNXBMFYSA-N 1 2 256.349 2.340 20 30 CEEDLO C[C@H](C[NH+]1CCN(C)CC1)/N=C\c1cc(Cl)ccc1O ZINC000730148202 574502889 /nfs/dbraw/zinc/50/28/89/574502889.db2.gz ZTMLKWIZMXAWCQ-HJPCULJESA-N 1 2 295.814 2.100 20 30 CEEDLO COC(=O)c1occc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148054 574502915 /nfs/dbraw/zinc/50/29/15/574502915.db2.gz MYXHSUIDRODEPD-UHFFFAOYSA-N 1 2 295.298 2.482 20 30 CEEDLO CC(C)(C)c1nc(C#N)c(N=NCc2[nH]cc[nH+]2)o1 ZINC000731153172 574590347 /nfs/dbraw/zinc/59/03/47/574590347.db2.gz DKQHRCIRYUHQPL-UHFFFAOYSA-N 1 2 258.285 2.013 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000732054673 574611141 /nfs/dbraw/zinc/61/11/41/574611141.db2.gz BCKYZKMSLLEEBH-ZDUSSCGKSA-N 1 2 264.275 2.001 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000732054673 574611142 /nfs/dbraw/zinc/61/11/42/574611142.db2.gz BCKYZKMSLLEEBH-ZDUSSCGKSA-N 1 2 264.275 2.001 20 30 CEEDLO C=CC[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000734653113 574724068 /nfs/dbraw/zinc/72/40/68/574724068.db2.gz ZCXITWFMEURAMH-HIFRSBDPSA-N 1 2 299.378 2.283 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN=Nc3ccccn3)n2c1 ZINC000736428434 574787939 /nfs/dbraw/zinc/78/79/39/574787939.db2.gz VAKJCAUUHNIKMA-UHFFFAOYSA-N 1 2 262.276 2.047 20 30 CEEDLO CC[C@@H]1COCC[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000738083343 574851455 /nfs/dbraw/zinc/85/14/55/574851455.db2.gz WKDVVMXXESXFGV-MRXNPFEDSA-N 1 2 296.374 2.490 20 30 CEEDLO CC[C@@H]1COCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000738083343 574851458 /nfs/dbraw/zinc/85/14/58/574851458.db2.gz WKDVVMXXESXFGV-MRXNPFEDSA-N 1 2 296.374 2.490 20 30 CEEDLO C=CCCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000740243525 574950054 /nfs/dbraw/zinc/95/00/54/574950054.db2.gz NSRPBBKNNRKZFF-INIZCTEOSA-N 1 2 289.375 2.304 20 30 CEEDLO C#CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000740956321 574972324 /nfs/dbraw/zinc/97/23/24/574972324.db2.gz BVGZLLUBPOGDFK-OAHLLOKOSA-N 1 2 257.333 2.218 20 30 CEEDLO C#CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000740956321 574972326 /nfs/dbraw/zinc/97/23/26/574972326.db2.gz BVGZLLUBPOGDFK-OAHLLOKOSA-N 1 2 257.333 2.218 20 30 CEEDLO C=CCCC[NH2+]c1ccc(OC)c(-n2cnnn2)c1 ZINC000742261137 575014447 /nfs/dbraw/zinc/01/44/47/575014447.db2.gz FAMFJWZSOKJOQD-UHFFFAOYSA-N 1 2 259.313 2.049 20 30 CEEDLO C=CCn1nnn(C[N@@H+](CC)C[C@H](C)CC)c1=S ZINC000748263081 575181503 /nfs/dbraw/zinc/18/15/03/575181503.db2.gz RZUXTOWIHPWNSY-LLVKDONJSA-N 1 2 269.418 2.321 20 30 CEEDLO C=CCn1nnn(C[N@H+](CC)C[C@H](C)CC)c1=S ZINC000748263081 575181505 /nfs/dbraw/zinc/18/15/05/575181505.db2.gz RZUXTOWIHPWNSY-LLVKDONJSA-N 1 2 269.418 2.321 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(CCC)c2)C1 ZINC000950560346 612992651 /nfs/dbraw/zinc/99/26/51/612992651.db2.gz STRPXOAHKPJBOT-UHFFFAOYSA-N 1 2 299.418 2.204 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3ncccc3s2)CC1 ZINC000949627528 613010806 /nfs/dbraw/zinc/01/08/06/613010806.db2.gz IAVRZCYYJWLZEF-UHFFFAOYSA-N 1 2 299.399 2.077 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000981147675 613157726 /nfs/dbraw/zinc/15/77/26/613157726.db2.gz XYOUZNINYKYIQN-ZIAGYGMSSA-N 1 2 286.375 2.184 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000981147675 613157727 /nfs/dbraw/zinc/15/77/27/613157727.db2.gz XYOUZNINYKYIQN-ZIAGYGMSSA-N 1 2 286.375 2.184 20 30 CEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1 ZINC000948890207 613279968 /nfs/dbraw/zinc/27/99/68/613279968.db2.gz ODHVRLFXHUGITF-KRWDZBQOSA-N 1 2 294.354 2.242 20 30 CEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccoc1 ZINC000948890207 613279970 /nfs/dbraw/zinc/27/99/70/613279970.db2.gz ODHVRLFXHUGITF-KRWDZBQOSA-N 1 2 294.354 2.242 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC000951386988 613294587 /nfs/dbraw/zinc/29/45/87/613294587.db2.gz MORVPEONVQUXNH-OLZOCXBDSA-N 1 2 268.376 2.233 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC000950595187 613294754 /nfs/dbraw/zinc/29/47/54/613294754.db2.gz JDTCDQUVWYVAHM-LBPRGKRZSA-N 1 2 272.339 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nc(C)oc2C)C1 ZINC000956994389 613297428 /nfs/dbraw/zinc/29/74/28/613297428.db2.gz HBBFSRVNGDIQFB-UHFFFAOYSA-N 1 2 277.368 2.014 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000957304658 613319927 /nfs/dbraw/zinc/31/99/27/613319927.db2.gz ZTJYNUDYSMHURZ-UHFFFAOYSA-N 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C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccn2)C1 ZINC000964631979 613375588 /nfs/dbraw/zinc/37/55/88/613375588.db2.gz IBSXYDTZVLXQIW-RISCZKNCSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccn2)C1 ZINC000964631979 613375589 /nfs/dbraw/zinc/37/55/89/613375589.db2.gz IBSXYDTZVLXQIW-RISCZKNCSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2)C1 ZINC000964635941 613375598 /nfs/dbraw/zinc/37/55/98/613375598.db2.gz LDPFDFJQUSWDNW-RISCZKNCSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2)C1 ZINC000964635941 613375599 /nfs/dbraw/zinc/37/55/99/613375599.db2.gz LDPFDFJQUSWDNW-RISCZKNCSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC000964609630 613377969 /nfs/dbraw/zinc/37/79/69/613377969.db2.gz ZSUDBWJAPRTZKA-GXFFZTMASA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC000964609630 613377970 /nfs/dbraw/zinc/37/79/70/613377970.db2.gz ZSUDBWJAPRTZKA-GXFFZTMASA-N 1 2 270.804 2.366 20 30 CEEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC000980636448 613554452 /nfs/dbraw/zinc/55/44/52/613554452.db2.gz WKKYEQCBGUXAJI-UHFFFAOYSA-N 1 2 276.405 2.228 20 30 CEEDLO CC#CC[N@H+]1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC000980636448 613554455 /nfs/dbraw/zinc/55/44/55/613554455.db2.gz WKKYEQCBGUXAJI-UHFFFAOYSA-N 1 2 276.405 2.228 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC000949999029 613563107 /nfs/dbraw/zinc/56/31/07/613563107.db2.gz DFXIIBMRYHDFSE-UHFFFAOYSA-N 1 2 298.430 2.322 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccccc3C)CC2)CC1 ZINC000957915332 613707011 /nfs/dbraw/zinc/70/70/11/613707011.db2.gz AUMWSDKTXQJQHH-UHFFFAOYSA-N 1 2 284.403 2.357 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC000949995817 613709442 /nfs/dbraw/zinc/70/94/42/613709442.db2.gz YWNIGVKOEKRXFS-UHFFFAOYSA-N 1 2 272.392 2.176 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)[nH]c3ccccc32)CC1 ZINC000949964140 613709502 /nfs/dbraw/zinc/70/95/02/613709502.db2.gz NZEHLLHOHTUZFF-UHFFFAOYSA-N 1 2 297.402 2.349 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000957373483 613710439 /nfs/dbraw/zinc/71/04/39/613710439.db2.gz PORYAXYUZZKKII-HNNXBMFYSA-N 1 2 272.392 2.429 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000949416837 613710977 /nfs/dbraw/zinc/71/09/77/613710977.db2.gz HUCZUQFCDHHFMU-QDMKHBRRSA-N 1 2 262.397 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000950457841 613712189 /nfs/dbraw/zinc/71/21/89/613712189.db2.gz WCKYCDPDXLRMPQ-GFCCVEGCSA-N 1 2 264.394 2.182 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000957715383 613712366 /nfs/dbraw/zinc/71/23/66/613712366.db2.gz KZLDOIDDGJDUON-GFCCVEGCSA-N 1 2 294.345 2.399 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nc3ccccc32)CC1 ZINC000957543559 613715224 /nfs/dbraw/zinc/71/52/24/613715224.db2.gz JNAUXPHFXPCXMR-UHFFFAOYSA-N 1 2 295.386 2.487 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccoc2CCC)CC1 ZINC000957316711 613717360 /nfs/dbraw/zinc/71/73/60/613717360.db2.gz DWHJIPMYWWLISO-UHFFFAOYSA-N 1 2 262.353 2.176 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC1 ZINC001024291886 625505103 /nfs/dbraw/zinc/50/51/03/625505103.db2.gz JNRQHDYRTJHEDL-GFCCVEGCSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC1 ZINC001024291886 625505105 /nfs/dbraw/zinc/50/51/05/625505105.db2.gz JNRQHDYRTJHEDL-GFCCVEGCSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccn1C ZINC001024335254 625515279 /nfs/dbraw/zinc/51/52/79/625515279.db2.gz LRHUWNQSDROTAD-CYBMUJFWSA-N 1 2 295.814 2.362 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccn1C ZINC001024335254 625515285 /nfs/dbraw/zinc/51/52/85/625515285.db2.gz LRHUWNQSDROTAD-CYBMUJFWSA-N 1 2 295.814 2.362 20 30 CEEDLO Cc1cccn2c(/C=C\C(=O)c3cnn(C)c3)c[nH+]c12 ZINC000255292293 623524265 /nfs/dbraw/zinc/52/42/65/623524265.db2.gz HAVFIDVFFYQHNW-WAYWQWQTSA-N 1 2 266.304 2.272 20 30 CEEDLO CCC[N@H+](Cc1csc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000891482818 623737212 /nfs/dbraw/zinc/73/72/12/623737212.db2.gz XWABNWKMMAQIAE-LBPRGKRZSA-N 1 2 298.433 2.019 20 30 CEEDLO CCC[N@@H+](Cc1csc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000891482818 623737217 /nfs/dbraw/zinc/73/72/17/623737217.db2.gz XWABNWKMMAQIAE-LBPRGKRZSA-N 1 2 298.433 2.019 20 30 CEEDLO CC(C)OCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933621418 623929415 /nfs/dbraw/zinc/92/94/15/623929415.db2.gz BSELXHUIUSWSBK-INIZCTEOSA-N 1 2 274.364 2.357 20 30 CEEDLO CC(C)OCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933621418 623929417 /nfs/dbraw/zinc/92/94/17/623929417.db2.gz BSELXHUIUSWSBK-INIZCTEOSA-N 1 2 274.364 2.357 20 30 CEEDLO N#Cc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000892101694 624317934 /nfs/dbraw/zinc/31/79/34/624317934.db2.gz BJMCBQVLVNRHOZ-JTQLQIEISA-N 1 2 276.283 2.119 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000892101694 624317937 /nfs/dbraw/zinc/31/79/37/624317937.db2.gz BJMCBQVLVNRHOZ-JTQLQIEISA-N 1 2 276.283 2.119 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934417796 624488124 /nfs/dbraw/zinc/48/81/24/624488124.db2.gz SKXMNVGPMJFADF-ZDUSSCGKSA-N 1 2 298.390 2.199 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934417796 624488127 /nfs/dbraw/zinc/48/81/27/624488127.db2.gz SKXMNVGPMJFADF-ZDUSSCGKSA-N 1 2 298.390 2.199 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nnnn1-c1ccccc1 ZINC000934471937 624519571 /nfs/dbraw/zinc/51/95/71/624519571.db2.gz WTZHJMLRCIHFGF-STQMWFEESA-N 1 2 269.352 2.374 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nnnn1-c1ccccc1 ZINC000934471937 624519574 /nfs/dbraw/zinc/51/95/74/624519574.db2.gz WTZHJMLRCIHFGF-STQMWFEESA-N 1 2 269.352 2.374 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2C[C@@]23CCOC3)ccc1F ZINC000902222968 634531997 /nfs/dbraw/zinc/53/19/97/634531997.db2.gz QBBSDHAIFFTMKV-SWLSCSKDSA-N 1 2 278.327 2.198 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@H]2C[C@]23CCOC3)ccc1F ZINC000902222966 634532130 /nfs/dbraw/zinc/53/21/30/634532130.db2.gz QBBSDHAIFFTMKV-DOMZBBRYSA-N 1 2 278.327 2.198 20 30 CEEDLO C#CCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000820837652 634547088 /nfs/dbraw/zinc/54/70/88/634547088.db2.gz MQAVDQXMYWIOIC-AWEZNQCLSA-N 1 2 261.369 2.390 20 30 CEEDLO CN(C)c1[nH+]cc(/C=C2\CCc3cc(O)ccc3C2=O)n1C ZINC000821038501 634611439 /nfs/dbraw/zinc/61/14/39/634611439.db2.gz IWZUTDQVIBTALU-XYOKQWHBSA-N 1 2 297.358 2.404 20 30 CEEDLO COCCOC1C[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000893314320 628296322 /nfs/dbraw/zinc/29/63/22/628296322.db2.gz SMZKLYBCNLADAJ-UHFFFAOYSA-N 1 2 274.364 2.022 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2nc(C)c(C)o2)cc1 ZINC000195478087 628534749 /nfs/dbraw/zinc/53/47/49/628534749.db2.gz MKFDCNDJTHDSCF-UHFFFAOYSA-N 1 2 275.308 2.137 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001009446218 628611174 /nfs/dbraw/zinc/61/11/74/628611174.db2.gz ANFMGPYZJGXQJR-AWEZNQCLSA-N 1 2 290.432 2.446 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001009446218 628611177 /nfs/dbraw/zinc/61/11/77/628611177.db2.gz ANFMGPYZJGXQJR-AWEZNQCLSA-N 1 2 290.432 2.446 20 30 CEEDLO COc1nccc(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC000893471374 628640214 /nfs/dbraw/zinc/64/02/14/628640214.db2.gz QICPUEQDTQVYIZ-UHFFFAOYSA-N 1 2 263.316 2.355 20 30 CEEDLO C=C(Br)C[NH2+]Cc1c(C)nn(C)c1Cl ZINC000105453664 628791167 /nfs/dbraw/zinc/79/11/67/628791167.db2.gz PEBGUFIXZBSILO-UHFFFAOYSA-N 1 2 278.581 2.380 20 30 CEEDLO NC(=[NH+]OCc1cncc(F)c1)c1ccc(F)cc1 ZINC000794883525 629347461 /nfs/dbraw/zinc/34/74/61/629347461.db2.gz JQMVLYHFPXAPAK-UHFFFAOYSA-N 1 2 263.247 2.197 20 30 CEEDLO Fc1cccnc1N=NCc1cccc2[nH+]ccn21 ZINC000794991248 629394978 /nfs/dbraw/zinc/39/49/78/629394978.db2.gz XQGJUSDZWQOFAN-UHFFFAOYSA-N 1 2 255.256 2.314 20 30 CEEDLO C[C@@H](CC#N)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821624228 634766061 /nfs/dbraw/zinc/76/60/61/634766061.db2.gz CDPUXGBOJYMATA-LBPRGKRZSA-N 1 2 269.304 2.390 20 30 CEEDLO C[C@H](C#N)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821626006 634766434 /nfs/dbraw/zinc/76/64/34/634766434.db2.gz AOWXMGZTHQQZDB-GFCCVEGCSA-N 1 2 269.304 2.248 20 30 CEEDLO CCCc1cccc(C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000895066694 629842892 /nfs/dbraw/zinc/84/28/92/629842892.db2.gz WOKAWLXNUUTKFN-UHFFFAOYSA-N 1 2 285.391 2.197 20 30 CEEDLO C=CCCC[N@@H+](CC)Cn1nc2c(cc1=O)CCCC2 ZINC000902669028 634775751 /nfs/dbraw/zinc/77/57/51/634775751.db2.gz HTJAMYOLGUUVQI-UHFFFAOYSA-N 1 2 275.396 2.368 20 30 CEEDLO C=CCCC[N@H+](CC)Cn1nc2c(cc1=O)CCCC2 ZINC000902669028 634775753 /nfs/dbraw/zinc/77/57/53/634775753.db2.gz HTJAMYOLGUUVQI-UHFFFAOYSA-N 1 2 275.396 2.368 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000895382296 630152739 /nfs/dbraw/zinc/15/27/39/630152739.db2.gz CEHQNACDKUXCMA-UHFFFAOYSA-N 1 2 269.266 2.064 20 30 CEEDLO C=CCOCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000797294585 630206123 /nfs/dbraw/zinc/20/61/23/630206123.db2.gz HSZLRWKPZMPFOL-UHFFFAOYSA-N 1 2 272.304 2.232 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OCC ZINC000895598658 630265504 /nfs/dbraw/zinc/26/55/04/630265504.db2.gz SMBOXFDGZRYQIT-SDDRHHMPSA-N 1 2 257.399 2.225 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(=O)OC ZINC000895752965 630330614 /nfs/dbraw/zinc/33/06/14/630330614.db2.gz GEVWGSGYBXVUAF-OYNVLQORSA-N 1 2 267.369 2.041 20 30 CEEDLO C#CC[N@@H+](Cc1cnc2c(C)cccn12)C1CSC1 ZINC000895814279 630359791 /nfs/dbraw/zinc/35/97/91/630359791.db2.gz PMNGMYLFLBJLKC-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO C#CC[N@H+](Cc1cnc2c(C)cccn12)C1CSC1 ZINC000895814279 630359792 /nfs/dbraw/zinc/35/97/92/630359792.db2.gz PMNGMYLFLBJLKC-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO C#CCN(Cc1c[nH+]c2c(C)cccn12)C1CSC1 ZINC000895814279 630359794 /nfs/dbraw/zinc/35/97/94/630359794.db2.gz PMNGMYLFLBJLKC-UHFFFAOYSA-N 1 2 271.389 2.193 20 30 CEEDLO Cc1ccc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)cc1C#N ZINC000896117621 630469250 /nfs/dbraw/zinc/46/92/50/630469250.db2.gz KGUWCGUBGRPBBA-GFCCVEGCSA-N 1 2 297.362 2.062 20 30 CEEDLO Cc1ccc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)cc1C#N ZINC000896117621 630469252 /nfs/dbraw/zinc/46/92/52/630469252.db2.gz KGUWCGUBGRPBBA-GFCCVEGCSA-N 1 2 297.362 2.062 20 30 CEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000896134853 630478989 /nfs/dbraw/zinc/47/89/89/630478989.db2.gz ZIWAUEWIYNQTPS-OAHLLOKOSA-N 1 2 279.343 2.411 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1nc(C)ccc1C#N)C2 ZINC000896653801 630626722 /nfs/dbraw/zinc/62/67/22/630626722.db2.gz GXABIAYLSLRSOC-UHFFFAOYSA-N 1 2 267.336 2.041 20 30 CEEDLO C#CCC[C@@H](O)CNc1cc[nH+]c2c(OC)cccc12 ZINC000798419900 630868581 /nfs/dbraw/zinc/86/85/81/630868581.db2.gz VSCGFMKMNADFEU-GFCCVEGCSA-N 1 2 270.332 2.430 20 30 CEEDLO CC[C@H]([NH2+]C[C@H](C)CCO)c1cccc(C#N)c1O ZINC000925180932 631154874 /nfs/dbraw/zinc/15/48/74/631154874.db2.gz FXYNMKCUGLFDBH-RISCZKNCSA-N 1 2 262.353 2.323 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@](C)(C#N)C2)c[nH+]1 ZINC000897374243 631229839 /nfs/dbraw/zinc/22/98/39/631229839.db2.gz NUKVHXNMXNRSQG-HNNXBMFYSA-N 1 2 274.368 2.079 20 30 CEEDLO C[C@H](C#N)OCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000801933206 631360259 /nfs/dbraw/zinc/36/02/59/631360259.db2.gz KULOTNUTARIAGI-GFCCVEGCSA-N 1 2 282.384 2.159 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000801934548 631360550 /nfs/dbraw/zinc/36/05/50/631360550.db2.gz OWKBKACLADCDLK-ZDUSSCGKSA-N 1 2 284.363 2.437 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000801934548 631360556 /nfs/dbraw/zinc/36/05/56/631360556.db2.gz OWKBKACLADCDLK-ZDUSSCGKSA-N 1 2 284.363 2.437 20 30 CEEDLO C[C@@H]1CN(C[N@H+](C)Cc2cccc(C#N)c2)C(=O)[C@H]1C ZINC000839958455 631402559 /nfs/dbraw/zinc/40/25/59/631402559.db2.gz HBQCVFPOAWMRME-OLZOCXBDSA-N 1 2 271.364 2.062 20 30 CEEDLO C[C@@H]1CN(C[N@@H+](C)Cc2cccc(C#N)c2)C(=O)[C@H]1C ZINC000839958455 631402563 /nfs/dbraw/zinc/40/25/63/631402563.db2.gz HBQCVFPOAWMRME-OLZOCXBDSA-N 1 2 271.364 2.062 20 30 CEEDLO C=C(C)[C@H](CC(=O)OCCCc1[nH+]ccn1C)OCC ZINC000802787856 631460959 /nfs/dbraw/zinc/46/09/59/631460959.db2.gz LHWXPUZCAJQERT-ZDUSSCGKSA-N 1 2 280.368 2.267 20 30 CEEDLO N#C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000079828110 631568280 /nfs/dbraw/zinc/56/82/80/631568280.db2.gz UANBTWALQFNVIM-ZDUSSCGKSA-N 1 2 259.309 2.373 20 30 CEEDLO N#C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000079828110 631568287 /nfs/dbraw/zinc/56/82/87/631568287.db2.gz UANBTWALQFNVIM-ZDUSSCGKSA-N 1 2 259.309 2.373 20 30 CEEDLO CC[C@H](O)CC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925283900 631571663 /nfs/dbraw/zinc/57/16/63/631571663.db2.gz WYXLAVRODYIDTC-JSGCOSHPSA-N 1 2 262.353 2.466 20 30 CEEDLO C[N@H+](CC(F)F)C1CCN(c2cc(C#N)ccn2)CC1 ZINC000804536284 631700401 /nfs/dbraw/zinc/70/04/01/631700401.db2.gz QZPHFGKHIFUQFA-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(C#N)ccn2)CC1 ZINC000804536284 631700404 /nfs/dbraw/zinc/70/04/04/631700404.db2.gz QZPHFGKHIFUQFA-UHFFFAOYSA-N 1 2 280.322 2.119 20 30 CEEDLO C#Cc1cncc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000806709179 631767179 /nfs/dbraw/zinc/76/71/79/631767179.db2.gz VUYUHVVUKXKRAK-UHFFFAOYSA-N 1 2 295.342 2.013 20 30 CEEDLO Cn1cc(C[NH2+]Cc2nc(C#N)cs2)c(C(C)(C)C)n1 ZINC000897629633 631837169 /nfs/dbraw/zinc/83/71/69/631837169.db2.gz WMEDGGHXFATGKF-UHFFFAOYSA-N 1 2 289.408 2.336 20 30 CEEDLO N#CC[C@@H](O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000809574712 632103343 /nfs/dbraw/zinc/10/33/43/632103343.db2.gz ORILGQSRFFWKMP-SSDOTTSWSA-N 1 2 290.207 2.078 20 30 CEEDLO N#CC[C@@H](O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000809574712 632103348 /nfs/dbraw/zinc/10/33/48/632103348.db2.gz ORILGQSRFFWKMP-SSDOTTSWSA-N 1 2 290.207 2.078 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nnnn1C1CC1 ZINC000810238808 632196576 /nfs/dbraw/zinc/19/65/76/632196576.db2.gz NSLHHVWPIUSMLS-BMIGLBTASA-N 1 2 294.362 2.218 20 30 CEEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(C(C)C)s2)CC1 ZINC000989820850 632246090 /nfs/dbraw/zinc/24/60/90/632246090.db2.gz KJSXWLAVUVAOPA-UHFFFAOYSA-N 1 2 291.420 2.048 20 30 CEEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(C(C)C)s2)CC1 ZINC000989820850 632246093 /nfs/dbraw/zinc/24/60/93/632246093.db2.gz KJSXWLAVUVAOPA-UHFFFAOYSA-N 1 2 291.420 2.048 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502289 632525258 /nfs/dbraw/zinc/52/52/58/632525258.db2.gz CSZDPOORBWZCKL-LBPRGKRZSA-N 1 2 256.365 2.139 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502289 632525265 /nfs/dbraw/zinc/52/52/65/632525265.db2.gz CSZDPOORBWZCKL-LBPRGKRZSA-N 1 2 256.365 2.139 20 30 CEEDLO N#CCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000812484412 632537103 /nfs/dbraw/zinc/53/71/03/632537103.db2.gz FMZMKGAYUPDGMR-UHFFFAOYSA-N 1 2 268.320 2.182 20 30 CEEDLO COc1cccc(N[NH+]=Cc2c(Cl)nc(N)n2C)c1 ZINC000814777339 632894390 /nfs/dbraw/zinc/89/43/90/632894390.db2.gz QTKOHXZBWULEMO-UHFFFAOYSA-N 1 2 279.731 2.110 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]Nc2cnnn2C)cc1F ZINC000814981042 632945820 /nfs/dbraw/zinc/94/58/20/632945820.db2.gz UQBRRBXHJLWZBL-UHFFFAOYSA-N 1 2 290.346 2.246 20 30 CEEDLO Cc1ccc(NC(=O)c2ncc(C#N)cc2C)c(N(C)C)[nH+]1 ZINC000815859925 633070552 /nfs/dbraw/zinc/07/05/52/633070552.db2.gz RPYBJFBJEWPZKU-UHFFFAOYSA-N 1 2 295.346 2.283 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)nn1 ZINC000899885718 633075026 /nfs/dbraw/zinc/07/50/26/633075026.db2.gz GOKQMNRYBATNMW-INIZCTEOSA-N 1 2 283.379 2.490 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000899900841 633083161 /nfs/dbraw/zinc/08/31/61/633083161.db2.gz WVLSVJXVUWSOGU-GFCCVEGCSA-N 1 2 273.254 2.490 20 30 CEEDLO C=C1C[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000899900370 633083887 /nfs/dbraw/zinc/08/38/87/633083887.db2.gz OZURUPOCYKAOFZ-GFCCVEGCSA-N 1 2 287.281 2.317 20 30 CEEDLO Cn1c[nH+]cc1CS(=O)(=O)CCCCC1(C#N)CCC1 ZINC000899962954 633144219 /nfs/dbraw/zinc/14/42/19/633144219.db2.gz BLZVWONZSZKSRG-UHFFFAOYSA-N 1 2 295.408 2.199 20 30 CEEDLO CC(C)Oc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1C#N ZINC000901148395 633965294 /nfs/dbraw/zinc/96/52/94/633965294.db2.gz CGBLWLCSWKLFGO-UHFFFAOYSA-N 1 2 284.319 2.250 20 30 CEEDLO FC1(F)CC[C@@H](C=[NH+]n2nnc3c2CCCC3)C1 ZINC000901329575 634047113 /nfs/dbraw/zinc/04/71/13/634047113.db2.gz XNFUNNDJLYYHGT-SECBINFHSA-N 1 2 254.284 2.426 20 30 CEEDLO COc1cccc2c1OCC/C(=C\c1c[nH+]cn1C)C2=O ZINC000901543444 634184127 /nfs/dbraw/zinc/18/41/27/634184127.db2.gz YXHAJYURXOONSB-DHZHZOJOSA-N 1 2 284.315 2.478 20 30 CEEDLO C=CC[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)C(=O)OC ZINC000901632643 634217837 /nfs/dbraw/zinc/21/78/37/634217837.db2.gz YIBRIOOGADZOIT-JKSUJKDBSA-N 1 2 289.375 2.398 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000822395865 634909890 /nfs/dbraw/zinc/90/98/90/634909890.db2.gz GYNGLQGLOBYEIR-WDEREUQCSA-N 1 2 287.285 2.295 20 30 CEEDLO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1nncn1C ZINC000903062958 634951898 /nfs/dbraw/zinc/95/18/98/634951898.db2.gz ADAQHMCSVYIQSV-BXUZGUMPSA-N 1 2 299.378 2.440 20 30 CEEDLO C=CC[C@@H]([NH2+]Cc1nccnc1OC)c1ccncc1 ZINC000823887344 635301124 /nfs/dbraw/zinc/30/11/24/635301124.db2.gz GBJMRQHQGUIRRK-CYBMUJFWSA-N 1 2 270.336 2.287 20 30 CEEDLO N#CC1(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000826380390 635773484 /nfs/dbraw/zinc/77/34/84/635773484.db2.gz YUWWEBULCOGMNV-UHFFFAOYSA-N 1 2 294.362 2.135 20 30 CEEDLO N#CC1(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000826380390 635773488 /nfs/dbraw/zinc/77/34/88/635773488.db2.gz YUWWEBULCOGMNV-UHFFFAOYSA-N 1 2 294.362 2.135 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@@H]2CC(=O)N(C)C2)c1 ZINC000905002446 635774031 /nfs/dbraw/zinc/77/40/31/635774031.db2.gz PCWWFNFHHIKGOF-HJPCULJESA-N 1 2 290.363 2.078 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826724873 635829610 /nfs/dbraw/zinc/82/96/10/635829610.db2.gz RPQJUMGMEBJQBA-CZUORRHYSA-N 1 2 288.391 2.271 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826724873 635829614 /nfs/dbraw/zinc/82/96/14/635829614.db2.gz RPQJUMGMEBJQBA-CZUORRHYSA-N 1 2 288.391 2.271 20 30 CEEDLO COCCN(C)N=C(C)c1cccc(-n2cc[nH+]c2)c1 ZINC000905466773 636294648 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651007793 /nfs/dbraw/zinc/00/77/93/651007793.db2.gz SDRYRQYPYUPFMZ-QMMMGPOBSA-N 1 2 260.263 2.077 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000859281625 645445145 /nfs/dbraw/zinc/44/51/45/645445145.db2.gz UDURXRRLXXTOQI-JTQLQIEISA-N 1 2 258.296 2.443 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000859281625 645445150 /nfs/dbraw/zinc/44/51/50/645445150.db2.gz UDURXRRLXXTOQI-JTQLQIEISA-N 1 2 258.296 2.443 20 30 CEEDLO NC(=[NH+]OC[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000769876623 646329973 /nfs/dbraw/zinc/32/99/73/646329973.db2.gz FXENCUJEFHATFV-JTQLQIEISA-N 1 2 268.744 2.404 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1ncc(Br)cc1F ZINC000862362744 646413875 /nfs/dbraw/zinc/41/38/75/646413875.db2.gz FENPXYPHAPKIIF-SSDOTTSWSA-N 1 2 257.106 2.095 20 30 CEEDLO Cc1cc(C)nc(N=NCc2cccc3[nH+]ccn32)n1 ZINC000771100495 646490613 /nfs/dbraw/zinc/49/06/13/646490613.db2.gz YSBVSKFZGUKMPO-UHFFFAOYSA-N 1 2 266.308 2.187 20 30 CEEDLO C=CCOc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771899860 646566956 /nfs/dbraw/zinc/56/69/56/646566956.db2.gz IMUUHNNMPDZBQY-UHFFFAOYSA-N 1 2 272.304 2.305 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000775341403 646942783 /nfs/dbraw/zinc/94/27/83/646942783.db2.gz MGRFWFWBWGXTHT-WCQYABFASA-N 1 2 276.405 2.292 20 30 CEEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nccn1C ZINC000775412472 646951824 /nfs/dbraw/zinc/95/18/24/646951824.db2.gz NDXVLICESQNYGP-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000776002987 647015577 /nfs/dbraw/zinc/01/55/77/647015577.db2.gz UULUUUSPVCQORK-STQMWFEESA-N 1 2 265.740 2.316 20 30 CEEDLO C=C(C)C[N@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000777964130 647193473 /nfs/dbraw/zinc/19/34/73/647193473.db2.gz LTKGLBVPJQYOSO-UHFFFAOYSA-N 1 2 271.748 2.097 20 30 CEEDLO C=C(C)C[N@@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000777964130 647193471 /nfs/dbraw/zinc/19/34/71/647193471.db2.gz LTKGLBVPJQYOSO-UHFFFAOYSA-N 1 2 271.748 2.097 20 30 CEEDLO Cn1c[nH+]cc1COC(=O)c1ccc(C#N)c(Cl)c1 ZINC000778658434 647251013 /nfs/dbraw/zinc/25/10/13/647251013.db2.gz NTZZTCVCPYJBAU-UHFFFAOYSA-N 1 2 275.695 2.302 20 30 CEEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3ccccc3F)o2)N1 ZINC000779797779 647355563 /nfs/dbraw/zinc/35/55/63/647355563.db2.gz JTAASGISZAFORW-JTQLQIEISA-N 1 2 286.310 2.357 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780498503 647434830 /nfs/dbraw/zinc/43/48/30/647434830.db2.gz NNALCBGNYKCXJB-GFCCVEGCSA-N 1 2 281.429 2.321 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780498503 647434834 /nfs/dbraw/zinc/43/48/34/647434834.db2.gz NNALCBGNYKCXJB-GFCCVEGCSA-N 1 2 281.429 2.321 20 30 CEEDLO C=CCOC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000781038611 647492369 /nfs/dbraw/zinc/49/23/69/647492369.db2.gz KALCRJPXLMHYGT-UHFFFAOYSA-N 1 2 280.393 2.393 20 30 CEEDLO CC#CC[C@@H](CO)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865902786 647530249 /nfs/dbraw/zinc/53/02/49/647530249.db2.gz GXPQTIITSVVCNR-HNNXBMFYSA-N 1 2 296.374 2.275 20 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273.380 2.256 20 30 CEEDLO C[C@H]([NH2+]CCOC1CCC1)c1cccc(C#N)c1O ZINC000866322433 647735790 /nfs/dbraw/zinc/73/57/90/647735790.db2.gz YXUJNMDUTWCFHO-NSHDSACASA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(C#N)c1O ZINC000866348133 647749088 /nfs/dbraw/zinc/74/90/88/647749088.db2.gz NPGXQDITPXHEAL-MJVIPROJSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@H]([NH2+]CCC1(O)CCC1)c1cccc(C#N)c1O ZINC000866355301 647752255 /nfs/dbraw/zinc/75/22/55/647752255.db2.gz UROAYHXNXJRXHS-NSHDSACASA-N 1 2 260.337 2.220 20 30 CEEDLO Cc1nccnc1CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866362406 647755975 /nfs/dbraw/zinc/75/59/75/647755975.db2.gz FBJWQYUIWJNLSV-NSHDSACASA-N 1 2 282.347 2.256 20 30 CEEDLO c1cn(-c2csc(CN=Nc3ncccn3)c2)c[nH+]1 ZINC000783823184 647768667 /nfs/dbraw/zinc/76/86/67/647768667.db2.gz BWYABSDQTIPJNR-UHFFFAOYSA-N 1 2 270.321 2.170 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1nccn1C ZINC000866391739 647770662 /nfs/dbraw/zinc/77/06/62/647770662.db2.gz OQJKOJZCDJGPKK-QWRGUYRKSA-N 1 2 270.336 2.409 20 30 CEEDLO N#CCc1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000784055268 647794335 /nfs/dbraw/zinc/79/43/35/647794335.db2.gz JMAASLBCPPLZGR-UHFFFAOYSA-N 1 2 280.331 2.389 20 30 CEEDLO C=CCC[C@H](O)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787694197 648129119 /nfs/dbraw/zinc/12/91/19/648129119.db2.gz RHHMKUYOOWXYJV-AWEZNQCLSA-N 1 2 281.783 2.170 20 30 CEEDLO COc1cc2c(cc1C=NNc1[nH+]ccn1C)O[C@H](C)C2 ZINC000790305694 648404703 /nfs/dbraw/zinc/40/47/03/648404703.db2.gz MWIHVRQHDUUAMX-SNVBAGLBSA-N 1 2 286.335 2.198 20 30 CEEDLO N#CCc1cccc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791733690 648559275 /nfs/dbraw/zinc/55/92/75/648559275.db2.gz NUOWBGDPCJMYJV-UHFFFAOYSA-N 1 2 267.288 2.087 20 30 CEEDLO C#C[C@H](CCC)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000791740211 648560819 /nfs/dbraw/zinc/56/08/19/648560819.db2.gz OBUQDAUYUYWEHP-HZPDHXFCSA-N 1 2 294.439 2.042 20 30 CEEDLO CCC(C)(C)OC1C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000871984684 649236284 /nfs/dbraw/zinc/23/62/84/649236284.db2.gz ZQVGAVPAORTWPC-INIZCTEOSA-N 1 2 288.391 2.481 20 30 CEEDLO CN1CC[N@H+](Cc2ccc(C#N)s2)Cc2cccnc21 ZINC000872265942 649333836 /nfs/dbraw/zinc/33/38/36/649333836.db2.gz YTBLVIMSSUSYRZ-UHFFFAOYSA-N 1 2 284.388 2.467 20 30 CEEDLO CN1CC[N@@H+](Cc2ccc(C#N)s2)Cc2cccnc21 ZINC000872265942 649333841 /nfs/dbraw/zinc/33/38/41/649333841.db2.gz YTBLVIMSSUSYRZ-UHFFFAOYSA-N 1 2 284.388 2.467 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000872370044 649370612 /nfs/dbraw/zinc/37/06/12/649370612.db2.gz RPZZXMIVRCMWEC-UHFFFAOYSA-N 1 2 297.362 2.102 20 30 CEEDLO CC[C@@](C)(C=[NH+]n1c(SC)nnc1SC)OC ZINC000872417566 649385172 /nfs/dbraw/zinc/38/51/72/649385172.db2.gz FIJICAJFUKGKGA-JTQLQIEISA-N 1 2 274.415 2.371 20 30 CEEDLO Cc1cc(NN=Cc2csc(C3CC3)n2)nc(N)[nH+]1 ZINC000872420578 649386783 /nfs/dbraw/zinc/38/67/83/649386783.db2.gz UQOGLBSBXMMQCI-UHFFFAOYSA-N 1 2 274.353 2.147 20 30 CEEDLO C[C@H](CC(=O)OCc1ccc(C#N)o1)n1cc[nH+]c1 ZINC000873403117 649669589 /nfs/dbraw/zinc/66/95/89/649669589.db2.gz CKMYVQZQZBCZOH-SNVBAGLBSA-N 1 2 259.265 2.042 20 30 CEEDLO C=CC[C@H]([NH2+][C@H]1C[C@H](OCC)C12CCC2)C(=O)OC ZINC000878671522 651159787 /nfs/dbraw/zinc/15/97/87/651159787.db2.gz IXYKWISBYLNTDV-AVGNSLFASA-N 1 2 267.369 2.041 20 30 CEEDLO C#CC[N@@H+](Cc1nc2ccccc2nc1C)C1CSC1 ZINC000878913515 651208441 /nfs/dbraw/zinc/20/84/41/651208441.db2.gz SGQPLGYUXWUSHA-UHFFFAOYSA-N 1 2 283.400 2.489 20 30 CEEDLO C#CC[N@H+](Cc1nc2ccccc2nc1C)C1CSC1 ZINC000878913515 651208443 /nfs/dbraw/zinc/20/84/43/651208443.db2.gz SGQPLGYUXWUSHA-UHFFFAOYSA-N 1 2 283.400 2.489 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)C1CSC1 ZINC000878913046 651208459 /nfs/dbraw/zinc/20/84/59/651208459.db2.gz YXBPWSWAWKIIPP-UHFFFAOYSA-N 1 2 293.363 2.163 20 30 CEEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)C1CSC1 ZINC000878913046 651208461 /nfs/dbraw/zinc/20/84/61/651208461.db2.gz YXBPWSWAWKIIPP-UHFFFAOYSA-N 1 2 293.363 2.163 20 30 CEEDLO C#CC[N@@H+](Cc1cccc(Cl)n1)C1CSC1 ZINC000878913603 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ZINC001031517766 807987678 /nfs/dbraw/zinc/98/76/78/807987678.db2.gz ZPVQBDIWKZGGAL-UHFFFAOYSA-N 1 2 295.342 2.013 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038590090 808111289 /nfs/dbraw/zinc/11/12/89/808111289.db2.gz QJRHXHWQYCHUIH-HNNXBMFYSA-N 1 2 288.366 2.270 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038590090 808111293 /nfs/dbraw/zinc/11/12/93/808111293.db2.gz QJRHXHWQYCHUIH-HNNXBMFYSA-N 1 2 288.366 2.270 20 30 CEEDLO C=CCCCCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737527 808407070 /nfs/dbraw/zinc/40/70/70/808407070.db2.gz QIVPQDZLWBMNQM-SNVBAGLBSA-N 1 2 284.297 2.339 20 30 CEEDLO C=CCCCCC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737527 808407075 /nfs/dbraw/zinc/40/70/75/808407075.db2.gz QIVPQDZLWBMNQM-SNVBAGLBSA-N 1 2 284.297 2.339 20 30 CEEDLO Cc1ccc(CC[C@@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001171669608 815209977 /nfs/dbraw/zinc/20/99/77/815209977.db2.gz ANFNMOMJJVTQRM-ZBFHGGJFSA-N 1 2 257.381 2.114 20 30 CEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1 ZINC001032397178 808573455 /nfs/dbraw/zinc/57/34/55/808573455.db2.gz NPCIEHCNXIWVGF-IRXDYDNUSA-N 1 2 298.361 2.024 20 30 CEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1 ZINC001032397178 808573459 /nfs/dbraw/zinc/57/34/59/808573459.db2.gz NPCIEHCNXIWVGF-IRXDYDNUSA-N 1 2 298.361 2.024 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC(F)(F)CC1 ZINC001032482657 808638529 /nfs/dbraw/zinc/63/85/29/808638529.db2.gz HWINXLIGERBUSN-STQMWFEESA-N 1 2 296.361 2.120 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC(F)(F)CC1 ZINC001032482657 808638534 /nfs/dbraw/zinc/63/85/34/808638534.db2.gz HWINXLIGERBUSN-STQMWFEESA-N 1 2 296.361 2.120 20 30 CEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)on1 ZINC001272772771 808642202 /nfs/dbraw/zinc/64/22/02/808642202.db2.gz MZCZKWPMWQATOA-INIZCTEOSA-N 1 2 289.379 2.126 20 30 CEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)on1 ZINC001272772771 808642206 /nfs/dbraw/zinc/64/22/06/808642206.db2.gz MZCZKWPMWQATOA-INIZCTEOSA-N 1 2 289.379 2.126 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032558450 808699569 /nfs/dbraw/zinc/69/95/69/808699569.db2.gz WBSQSCOCUUOHNA-HOTGVXAUSA-N 1 2 299.418 2.469 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032558450 808699577 /nfs/dbraw/zinc/69/95/77/808699577.db2.gz WBSQSCOCUUOHNA-HOTGVXAUSA-N 1 2 299.418 2.469 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032612961 808731309 /nfs/dbraw/zinc/73/13/09/808731309.db2.gz IJPWEFHOCKMMEU-KKUMJFAQSA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032612961 808731315 /nfs/dbraw/zinc/73/13/15/808731315.db2.gz IJPWEFHOCKMMEU-KKUMJFAQSA-N 1 2 274.408 2.121 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)cc1C ZINC001032734545 808815369 /nfs/dbraw/zinc/81/53/69/808815369.db2.gz PDAFUBDVEPOABX-KBPBESRZSA-N 1 2 286.375 2.072 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)cc1C ZINC001032734545 808815372 /nfs/dbraw/zinc/81/53/72/808815372.db2.gz PDAFUBDVEPOABX-KBPBESRZSA-N 1 2 286.375 2.072 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001032810039 808915673 /nfs/dbraw/zinc/91/56/73/808915673.db2.gz PBKRKJPWNHGMNF-DIOPXHOYSA-N 1 2 286.419 2.121 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001032810039 808915682 /nfs/dbraw/zinc/91/56/82/808915682.db2.gz PBKRKJPWNHGMNF-DIOPXHOYSA-N 1 2 286.419 2.121 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2conc2C)C1 ZINC001034382492 809594068 /nfs/dbraw/zinc/59/40/68/809594068.db2.gz QDDQVKVDZXYRHN-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2conc2C)C1 ZINC001034382492 809594071 /nfs/dbraw/zinc/59/40/71/809594071.db2.gz QDDQVKVDZXYRHN-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001108129127 809622467 /nfs/dbraw/zinc/62/24/67/809622467.db2.gz QLYFUOQNLDANGY-NVXWUHKLSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001108129127 809622472 /nfs/dbraw/zinc/62/24/72/809622472.db2.gz QLYFUOQNLDANGY-NVXWUHKLSA-N 1 2 292.423 2.126 20 30 CEEDLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(OCC#N)cc1 ZINC000705402660 809779762 /nfs/dbraw/zinc/77/97/62/809779762.db2.gz ZWMDJUQSMCOQBY-GFCCVEGCSA-N 1 2 268.320 2.230 20 30 CEEDLO C#CC1(O)CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000708103730 809921568 /nfs/dbraw/zinc/92/15/68/809921568.db2.gz IORMIRYWVXKSSL-UHFFFAOYSA-N 1 2 278.421 2.401 20 30 CEEDLO C=CC[N@@H+](CC(=O)OCC)CC1(OC)CCCCC1 ZINC000709544698 809963369 /nfs/dbraw/zinc/96/33/69/809963369.db2.gz TXEOWXDKYHPEAA-UHFFFAOYSA-N 1 2 269.385 2.387 20 30 CEEDLO C=CC[N@H+](CC(=O)OCC)CC1(OC)CCCCC1 ZINC000709544698 809963372 /nfs/dbraw/zinc/96/33/72/809963372.db2.gz TXEOWXDKYHPEAA-UHFFFAOYSA-N 1 2 269.385 2.387 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(=C)CC2)C1 ZINC001108186332 810109116 /nfs/dbraw/zinc/10/91/16/810109116.db2.gz MZMFOMKOZLDYGS-KRWDZBQOSA-N 1 2 292.423 2.126 20 30 CEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(=C)CC2)C1 ZINC001108186332 810109118 /nfs/dbraw/zinc/10/91/18/810109118.db2.gz MZMFOMKOZLDYGS-KRWDZBQOSA-N 1 2 292.423 2.126 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001079549021 810218948 /nfs/dbraw/zinc/21/89/48/810218948.db2.gz AGQCSLSNXLMXOM-LDYMZIIASA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001079549021 810218952 /nfs/dbraw/zinc/21/89/52/810218952.db2.gz AGQCSLSNXLMXOM-LDYMZIIASA-N 1 2 292.757 2.221 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(CC)c1 ZINC001017671270 810542351 /nfs/dbraw/zinc/54/23/51/810542351.db2.gz QNKKUUULRYYHMO-HDICACEKSA-N 1 2 296.414 2.100 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(CC)c1 ZINC001017671270 810542359 /nfs/dbraw/zinc/54/23/59/810542359.db2.gz QNKKUUULRYYHMO-HDICACEKSA-N 1 2 296.414 2.100 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1Cl ZINC001017991770 810579300 /nfs/dbraw/zinc/57/93/00/810579300.db2.gz VRKVIMHAYQDHNT-TXEJJXNPSA-N 1 2 291.782 2.210 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1Cl ZINC001017991770 810579306 /nfs/dbraw/zinc/57/93/06/810579306.db2.gz VRKVIMHAYQDHNT-TXEJJXNPSA-N 1 2 291.782 2.210 20 30 CEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C(C)C ZINC001018149572 810592025 /nfs/dbraw/zinc/59/20/25/810592025.db2.gz JSPNQTPDJGHNHW-BETUJISGSA-N 1 2 289.379 2.273 20 30 CEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C(C)C ZINC001018149572 810592034 /nfs/dbraw/zinc/59/20/34/810592034.db2.gz JSPNQTPDJGHNHW-BETUJISGSA-N 1 2 289.379 2.273 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1Cl ZINC001018200741 810595167 /nfs/dbraw/zinc/59/51/67/810595167.db2.gz MKTYNJABCIWOSQ-BETUJISGSA-N 1 2 288.778 2.262 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1Cl ZINC001018200741 810595173 /nfs/dbraw/zinc/59/51/73/810595173.db2.gz MKTYNJABCIWOSQ-BETUJISGSA-N 1 2 288.778 2.262 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccccc1 ZINC001018241222 810598525 /nfs/dbraw/zinc/59/85/25/810598525.db2.gz ZLYAHDCVIZELGO-NXHRZFHOSA-N 1 2 296.414 2.489 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccccc1 ZINC001018241222 810598526 /nfs/dbraw/zinc/59/85/26/810598526.db2.gz ZLYAHDCVIZELGO-NXHRZFHOSA-N 1 2 296.414 2.489 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccccc1 ZINC001018295387 810601220 /nfs/dbraw/zinc/60/12/20/810601220.db2.gz NHKUZLAHOGTETL-NXHRZFHOSA-N 1 2 296.414 2.174 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccccc1 ZINC001018295387 810601227 /nfs/dbraw/zinc/60/12/27/810601227.db2.gz NHKUZLAHOGTETL-NXHRZFHOSA-N 1 2 296.414 2.174 20 30 CEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001018319169 810603652 /nfs/dbraw/zinc/60/36/52/810603652.db2.gz JXGLBBSKQKJLIM-NXNVCVFFSA-N 1 2 288.435 2.367 20 30 CEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001018319169 810603660 /nfs/dbraw/zinc/60/36/60/810603660.db2.gz JXGLBBSKQKJLIM-NXNVCVFFSA-N 1 2 288.435 2.367 20 30 CEEDLO CCOC(=O)C(C)(C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172295961 815386692 /nfs/dbraw/zinc/38/66/92/815386692.db2.gz WAOSSKVRLTUNNU-GFCCVEGCSA-N 1 2 274.364 2.421 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038326640 810822137 /nfs/dbraw/zinc/82/21/37/810822137.db2.gz WJLKHVSQZGBNKL-CYBMUJFWSA-N 1 2 274.364 2.149 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038326640 810822146 /nfs/dbraw/zinc/82/21/46/810822146.db2.gz WJLKHVSQZGBNKL-CYBMUJFWSA-N 1 2 274.364 2.149 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C(C)(C)C)cs1 ZINC001038372650 810830696 /nfs/dbraw/zinc/83/06/96/810830696.db2.gz ZHWKFLLATPCLEO-NSHDSACASA-N 1 2 293.436 2.431 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C(C)(C)C)cs1 ZINC001038372650 810830706 /nfs/dbraw/zinc/83/07/06/810830706.db2.gz ZHWKFLLATPCLEO-NSHDSACASA-N 1 2 293.436 2.431 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1scc(C)c1Cl ZINC001085614397 810851356 /nfs/dbraw/zinc/85/13/56/810851356.db2.gz NGCHCBHUSMYPSS-NSHDSACASA-N 1 2 296.823 2.489 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1scc(C)c1Cl ZINC001085614397 810851365 /nfs/dbraw/zinc/85/13/65/810851365.db2.gz NGCHCBHUSMYPSS-NSHDSACASA-N 1 2 296.823 2.489 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc(C)cn2c1 ZINC001085634446 810860595 /nfs/dbraw/zinc/86/05/95/810860595.db2.gz QLXPNEBZQCETPZ-QGZVFWFLSA-N 1 2 295.386 2.027 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc(C)cn2c1 ZINC001085634446 810860604 /nfs/dbraw/zinc/86/06/04/810860604.db2.gz QLXPNEBZQCETPZ-QGZVFWFLSA-N 1 2 295.386 2.027 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038551371 810863624 /nfs/dbraw/zinc/86/36/24/810863624.db2.gz YLHSDOOTNZQDPG-HNNXBMFYSA-N 1 2 282.387 2.310 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038551371 810863631 /nfs/dbraw/zinc/86/36/31/810863631.db2.gz YLHSDOOTNZQDPG-HNNXBMFYSA-N 1 2 282.387 2.310 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001085746739 810896992 /nfs/dbraw/zinc/89/69/92/810896992.db2.gz OMKKNDDTCSJVNC-OAHLLOKOSA-N 1 2 295.386 2.256 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001085746739 810896997 /nfs/dbraw/zinc/89/69/97/810896997.db2.gz OMKKNDDTCSJVNC-OAHLLOKOSA-N 1 2 295.386 2.256 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001085752704 810900257 /nfs/dbraw/zinc/90/02/57/810900257.db2.gz MPIPRILJOYTCJI-GFCCVEGCSA-N 1 2 287.388 2.009 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccsc2[nH]1 ZINC001085752704 810900263 /nfs/dbraw/zinc/90/02/63/810900263.db2.gz MPIPRILJOYTCJI-GFCCVEGCSA-N 1 2 287.388 2.009 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001038773650 810912161 /nfs/dbraw/zinc/91/21/61/810912161.db2.gz SXPYUEXCFXMMDZ-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001038773650 810912154 /nfs/dbraw/zinc/91/21/54/810912154.db2.gz SXPYUEXCFXMMDZ-JTQLQIEISA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774815 810912577 /nfs/dbraw/zinc/91/25/77/810912577.db2.gz AZRVYBUEEMBYJN-LLVKDONJSA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774815 810912582 /nfs/dbraw/zinc/91/25/82/810912582.db2.gz AZRVYBUEEMBYJN-LLVKDONJSA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774817 810913296 /nfs/dbraw/zinc/91/32/96/810913296.db2.gz AZRVYBUEEMBYJN-NSHDSACASA-N 1 2 282.796 2.229 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774817 810913306 /nfs/dbraw/zinc/91/33/06/810913306.db2.gz AZRVYBUEEMBYJN-NSHDSACASA-N 1 2 282.796 2.229 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085782939 810913918 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C=CCC(C)(C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001134409968 813266173 /nfs/dbraw/zinc/26/61/73/813266173.db2.gz AYQQXNPRIQQPML-UHFFFAOYSA-N 1 2 291.395 2.360 20 30 CEEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001134412166 813267375 /nfs/dbraw/zinc/26/73/75/813267375.db2.gz XDZFOTCGUIKYFO-GFCCVEGCSA-N 1 2 279.384 2.352 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)CC[C@H]1C ZINC001071392114 813387967 /nfs/dbraw/zinc/38/79/67/813387967.db2.gz RGXYIAHUULDDAA-PWSUYJOCSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)CC[C@H]1C ZINC001071392114 813387972 /nfs/dbraw/zinc/38/79/72/813387972.db2.gz RGXYIAHUULDDAA-PWSUYJOCSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2n[nH]cc2C)CC[C@@H]1C ZINC001071490324 813422006 /nfs/dbraw/zinc/42/20/06/813422006.db2.gz KNIYRPNHNDISPW-NWDGAFQWSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2n[nH]cc2C)CC[C@@H]1C ZINC001071490324 813422009 /nfs/dbraw/zinc/42/20/09/813422009.db2.gz KNIYRPNHNDISPW-NWDGAFQWSA-N 1 2 296.802 2.053 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@@H]1C ZINC001071682697 813462823 /nfs/dbraw/zinc/46/28/23/813462823.db2.gz QDSKUJJJLNXGNH-VHSXEESVSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@@H]1C ZINC001071682697 813462828 /nfs/dbraw/zinc/46/28/28/813462828.db2.gz QDSKUJJJLNXGNH-VHSXEESVSA-N 1 2 297.811 2.012 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)CC[C@@H]1C ZINC001071720564 813470682 /nfs/dbraw/zinc/47/06/82/813470682.db2.gz CSQPFHWUAGRNSN-JQWIXIFHSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)CC[C@@H]1C ZINC001071720564 813470683 /nfs/dbraw/zinc/47/06/83/813470683.db2.gz CSQPFHWUAGRNSN-JQWIXIFHSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)CC[C@H]1C ZINC001071879879 813504017 /nfs/dbraw/zinc/50/40/17/813504017.db2.gz LQEURUBOBAERPJ-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)CC[C@H]1C ZINC001071879879 813504023 /nfs/dbraw/zinc/50/40/23/813504023.db2.gz LQEURUBOBAERPJ-NEPJUHHUSA-N 1 2 296.802 2.053 20 30 CEEDLO C=CC[NH2+]CCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001170895114 813628374 /nfs/dbraw/zinc/62/83/74/813628374.db2.gz OJDBXXYPYZYQHU-VHSXEESVSA-N 1 2 284.297 2.337 20 30 CEEDLO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170895114 813628377 /nfs/dbraw/zinc/62/83/77/813628377.db2.gz OJDBXXYPYZYQHU-VHSXEESVSA-N 1 2 284.297 2.337 20 30 CEEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(O)CC1 ZINC001143716767 813864643 /nfs/dbraw/zinc/86/46/43/813864643.db2.gz VJGROGYZUQAVBU-UHFFFAOYSA-N 1 2 250.729 2.168 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(C3CC3)cc2)CC1 ZINC001144720597 814168762 /nfs/dbraw/zinc/16/87/62/814168762.db2.gz DQCRWZKFEAQYOC-UHFFFAOYSA-N 1 2 284.403 2.437 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100682892 814171161 /nfs/dbraw/zinc/17/11/61/814171161.db2.gz HDNDONLMAIWPFA-ZDUSSCGKSA-N 1 2 290.411 2.330 20 30 CEEDLO C=CCC(C)(C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100735432 814180349 /nfs/dbraw/zinc/18/03/49/814180349.db2.gz FRKKVUUSETZJOH-UHFFFAOYSA-N 1 2 290.411 2.330 20 30 CEEDLO CCc1nnc2n1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171229147 814198755 /nfs/dbraw/zinc/19/87/55/814198755.db2.gz KZTWOXQWEGRQER-ZDUSSCGKSA-N 1 2 295.390 2.159 20 30 CEEDLO CCc1nnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171229147 814198758 /nfs/dbraw/zinc/19/87/58/814198758.db2.gz KZTWOXQWEGRQER-ZDUSSCGKSA-N 1 2 295.390 2.159 20 30 CEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101912323 814336870 /nfs/dbraw/zinc/33/68/70/814336870.db2.gz NEGHIVBDSAELOE-RYUDHWBXSA-N 1 2 276.384 2.114 20 30 CEEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001148728164 814607507 /nfs/dbraw/zinc/60/75/07/814607507.db2.gz YEIBQAJUXKCBHI-UHFFFAOYSA-N 1 2 296.415 2.334 20 30 CEEDLO C=CCCC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001112298665 814658224 /nfs/dbraw/zinc/65/82/24/814658224.db2.gz ZDFNXNAKUPTNGL-WCQYABFASA-N 1 2 274.368 2.010 20 30 CEEDLO C[C@H](C(=O)N(CCC#N)CC(C)(C)C)n1cc[nH+]c1 ZINC001115993935 814763540 /nfs/dbraw/zinc/76/35/40/814763540.db2.gz QTOZPVYWWQIWTJ-GFCCVEGCSA-N 1 2 262.357 2.232 20 30 CEEDLO C#CCOCC[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC001116497629 814859022 /nfs/dbraw/zinc/85/90/22/814859022.db2.gz JIGPCHQYZKOYOD-UHFFFAOYSA-N 1 2 273.163 2.470 20 30 CEEDLO C#CCOCC[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC001116497629 814859025 /nfs/dbraw/zinc/85/90/25/814859025.db2.gz JIGPCHQYZKOYOD-UHFFFAOYSA-N 1 2 273.163 2.470 20 30 CEEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(C)c2C)C1 ZINC001116541214 814861929 /nfs/dbraw/zinc/86/19/29/814861929.db2.gz BEWTWDWENJFQSB-CQSZACIVSA-N 1 2 276.380 2.102 20 30 CEEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(C)c2C)C1 ZINC001116541214 814861936 /nfs/dbraw/zinc/86/19/36/814861936.db2.gz BEWTWDWENJFQSB-CQSZACIVSA-N 1 2 276.380 2.102 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC001116792079 814884190 /nfs/dbraw/zinc/88/41/90/814884190.db2.gz GSEKONLJMSUAIH-LLVKDONJSA-N 1 2 271.320 2.199 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC001116792079 814884197 /nfs/dbraw/zinc/88/41/97/814884197.db2.gz GSEKONLJMSUAIH-LLVKDONJSA-N 1 2 271.320 2.199 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001095089451 815652862 /nfs/dbraw/zinc/65/28/62/815652862.db2.gz CMDOCAJOCMFPKY-AGIUHOORSA-N 1 2 268.788 2.261 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001095089451 815652863 /nfs/dbraw/zinc/65/28/63/815652863.db2.gz CMDOCAJOCMFPKY-AGIUHOORSA-N 1 2 268.788 2.261 20 30 CEEDLO C#Cc1cc(Nc2ccc(C(=O)N(C)C)cc2C)cc[nH+]1 ZINC001212726989 815710729 /nfs/dbraw/zinc/71/07/29/815710729.db2.gz CZTCKBCIJGLOIV-UHFFFAOYSA-N 1 2 279.343 2.239 20 30 CEEDLO C=C(C)CCC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001095195518 815745508 /nfs/dbraw/zinc/74/55/08/815745508.db2.gz ZWARQPVPYKMFFP-UHFFFAOYSA-N 1 2 288.395 2.180 20 30 CEEDLO C#CCOc1ccc(C[NH+]2CC(OCCC)C2)cc1 ZINC001138558685 815827607 /nfs/dbraw/zinc/82/76/07/815827607.db2.gz FDORLKRHMLGUPQ-UHFFFAOYSA-N 1 2 259.349 2.309 20 30 CEEDLO N#C[C@@H]1CCCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC001138561086 815830717 /nfs/dbraw/zinc/83/07/17/815830717.db2.gz ZJMHNSLDLRRYMX-HNNXBMFYSA-N 1 2 266.348 2.419 20 30 CEEDLO C#Cc1cc(Nc2cccc(NC(C)=O)c2)cc[nH+]1 ZINC001173830012 815834242 /nfs/dbraw/zinc/83/42/42/815834242.db2.gz IBJAXSPYORDZBI-UHFFFAOYSA-N 1 2 251.289 2.187 20 30 CEEDLO C#Cc1cc(Nc2ccc(OC)cc2OC)cc[nH+]1 ZINC001173888283 815854429 /nfs/dbraw/zinc/85/44/29/815854429.db2.gz ACMJHFILBCNPNB-UHFFFAOYSA-N 1 2 254.289 2.246 20 30 CEEDLO C=CCn1cc(C[N@H+]2CCc3c(O)cccc3C2)cn1 ZINC001139765741 816110036 /nfs/dbraw/zinc/11/00/36/816110036.db2.gz FHSMIOKVLOPJTQ-UHFFFAOYSA-N 1 2 269.348 2.333 20 30 CEEDLO C=CCn1cc(C[N@@H+]2CCc3c(O)cccc3C2)cn1 ZINC001139765741 816110038 /nfs/dbraw/zinc/11/00/38/816110038.db2.gz FHSMIOKVLOPJTQ-UHFFFAOYSA-N 1 2 269.348 2.333 20 30 CEEDLO CN(C)c1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC001175250646 816159781 /nfs/dbraw/zinc/15/97/81/816159781.db2.gz UJFSATCCJBLJFW-GXTWGEPZSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC001175250646 816159785 /nfs/dbraw/zinc/15/97/85/816159785.db2.gz UJFSATCCJBLJFW-GXTWGEPZSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1ccc(Nc2cc(C#N)c(C#N)cc2N)c[nH+]1 ZINC001175344356 816167935 /nfs/dbraw/zinc/16/79/35/816167935.db2.gz GBOHMXUXYPYSEP-UHFFFAOYSA-N 1 2 278.319 2.217 20 30 CEEDLO C#Cc1cc(Nc2cc([N+](=O)[O-])ccc2F)cc[nH+]1 ZINC001175735459 816271883 /nfs/dbraw/zinc/27/18/83/816271883.db2.gz VLDXWPDDLPWFHB-UHFFFAOYSA-N 1 2 257.224 2.276 20 30 CEEDLO N#Cc1cnoc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175856786 816298026 /nfs/dbraw/zinc/29/80/26/816298026.db2.gz OLOGYMCLRVZHQU-UHFFFAOYSA-N 1 2 284.319 2.122 20 30 CEEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Cl ZINC001140602183 816298381 /nfs/dbraw/zinc/29/83/81/816298381.db2.gz GCHMAEHBDIQUQP-AWEZNQCLSA-N 1 2 291.782 2.264 20 30 CEEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140602183 816298387 /nfs/dbraw/zinc/29/83/87/816298387.db2.gz GCHMAEHBDIQUQP-AWEZNQCLSA-N 1 2 291.782 2.264 20 30 CEEDLO COc1cc[nH+]cc1-n1cc(C#N)c2ccc(N)cc21 ZINC001176124365 816355351 /nfs/dbraw/zinc/35/53/51/816355351.db2.gz LECCCHUIRRGKOW-UHFFFAOYSA-N 1 2 264.288 2.488 20 30 CEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001176955290 816501086 /nfs/dbraw/zinc/50/10/86/816501086.db2.gz QJRRUOMYUAKSNG-JKSUJKDBSA-N 1 2 292.423 2.221 20 30 CEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001176955290 816501088 /nfs/dbraw/zinc/50/10/88/816501088.db2.gz QJRRUOMYUAKSNG-JKSUJKDBSA-N 1 2 292.423 2.221 20 30 CEEDLO N#C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176961975 816501657 /nfs/dbraw/zinc/50/16/57/816501657.db2.gz UQJJILWXZVQKHF-CABCVRRESA-N 1 2 298.390 2.203 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@H]21 ZINC001176999998 816507030 /nfs/dbraw/zinc/50/70/30/816507030.db2.gz LTFZVBMBMNPTMH-LDXCAOIPSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@H]21 ZINC001176999998 816507034 /nfs/dbraw/zinc/50/70/34/816507034.db2.gz LTFZVBMBMNPTMH-LDXCAOIPSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001177024075 816509774 /nfs/dbraw/zinc/50/97/74/816509774.db2.gz FCPNAZNWAACHJH-HOTGVXAUSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001177024075 816509779 /nfs/dbraw/zinc/50/97/79/816509779.db2.gz FCPNAZNWAACHJH-HOTGVXAUSA-N 1 2 292.423 2.221 20 30 CEEDLO N#Cc1ccc2c(C[N@@H+]3CCn4cncc4C3)c[nH]c2c1 ZINC001142922439 816757805 /nfs/dbraw/zinc/75/78/05/816757805.db2.gz HUVYYBRGRABYNA-UHFFFAOYSA-N 1 2 277.331 2.252 20 30 CEEDLO N#Cc1ccc2c(C[N@H+]3CCn4cncc4C3)c[nH]c2c1 ZINC001142922439 816757812 /nfs/dbraw/zinc/75/78/12/816757812.db2.gz HUVYYBRGRABYNA-UHFFFAOYSA-N 1 2 277.331 2.252 20 30 CEEDLO C[C@]1(CO)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164388 816796038 /nfs/dbraw/zinc/79/60/38/816796038.db2.gz FZHMLEWUSMFLEK-AWEZNQCLSA-N 1 2 266.291 2.041 20 30 CEEDLO C[C@]1(CO)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164388 816796043 /nfs/dbraw/zinc/79/60/43/816796043.db2.gz FZHMLEWUSMFLEK-AWEZNQCLSA-N 1 2 266.291 2.041 20 30 CEEDLO C[C@]1(O)CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143173242 816798285 /nfs/dbraw/zinc/79/82/85/816798285.db2.gz STIDAYSUSZZGAA-AWEZNQCLSA-N 1 2 266.291 2.183 20 30 CEEDLO C[C@]1(O)CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143173242 816798290 /nfs/dbraw/zinc/79/82/90/816798290.db2.gz STIDAYSUSZZGAA-AWEZNQCLSA-N 1 2 266.291 2.183 20 30 CEEDLO Cc1ccc(CN(CCC#N)Cc2cccnc2)c(N)[nH+]1 ZINC001143194638 816804181 /nfs/dbraw/zinc/80/41/81/816804181.db2.gz GMBNJZWRZPRDPM-UHFFFAOYSA-N 1 2 281.363 2.283 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)o1 ZINC000121211762 365536584 /nfs/dbraw/zinc/53/65/84/365536584.db2.gz BTUSWGXTFSDPHK-LLVKDONJSA-N 1 2 256.309 2.254 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)o1 ZINC000121211762 365536591 /nfs/dbraw/zinc/53/65/91/365536591.db2.gz BTUSWGXTFSDPHK-LLVKDONJSA-N 1 2 256.309 2.254 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000121241014 365539490 /nfs/dbraw/zinc/53/94/90/365539490.db2.gz ZBLWPPPBKMYJML-UHFFFAOYSA-N 1 2 296.392 2.290 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000121241014 365539493 /nfs/dbraw/zinc/53/94/93/365539493.db2.gz ZBLWPPPBKMYJML-UHFFFAOYSA-N 1 2 296.392 2.290 20 30 CEEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000121398138 365562822 /nfs/dbraw/zinc/56/28/22/365562822.db2.gz KEUYEHXCUOVKRG-NSHDSACASA-N 1 2 260.337 2.334 20 30 CEEDLO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000121398138 365562832 /nfs/dbraw/zinc/56/28/32/365562832.db2.gz KEUYEHXCUOVKRG-NSHDSACASA-N 1 2 260.337 2.334 20 30 CEEDLO CCN(CC)c1ccc(CNc2cnc(C#N)cn2)c[nH+]1 ZINC000121598361 365592124 /nfs/dbraw/zinc/59/21/24/365592124.db2.gz 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C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(F)c1 ZINC000593154927 345447855 /nfs/dbraw/zinc/44/78/55/345447855.db2.gz YOMPZIIYKFSMHQ-BLLLJJGKSA-N 1 2 291.370 2.279 20 30 CEEDLO CC[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000593409357 345478422 /nfs/dbraw/zinc/47/84/22/345478422.db2.gz OHZWJMZDGVWFGU-CQSZACIVSA-N 1 2 286.379 2.238 20 30 CEEDLO Cc1cccn2cc(CC(=O)NCC3(C#N)CCCC3)[nH+]c12 ZINC000593778419 345536067 /nfs/dbraw/zinc/53/60/67/345536067.db2.gz REZLMDVLSFXSLR-UHFFFAOYSA-N 1 2 296.374 2.385 20 30 CEEDLO N#CCCCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593960641 345556306 /nfs/dbraw/zinc/55/63/06/345556306.db2.gz AWXJZOCNZALPCC-UHFFFAOYSA-N 1 2 286.379 2.382 20 30 CEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000594290653 345609030 /nfs/dbraw/zinc/60/90/30/345609030.db2.gz QFBPPNIMXVNEJJ-ZDUSSCGKSA-N 1 2 294.358 2.017 20 30 CEEDLO Cc1cccc2nc(C[NH+]3CCC(C#N)CC3)cn21 ZINC000057875540 362599564 /nfs/dbraw/zinc/59/95/64/362599564.db2.gz CSYVRDCYPNLSJT-UHFFFAOYSA-N 1 2 254.337 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261.373 2.159 20 30 CEEDLO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623205 345830800 /nfs/dbraw/zinc/83/08/00/345830800.db2.gz JTEBYZZAVPSRKY-GFCCVEGCSA-N 1 2 261.373 2.159 20 30 CEEDLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595623928 345830909 /nfs/dbraw/zinc/83/09/09/345830909.db2.gz YZDRDTQCJATZRA-CYBMUJFWSA-N 1 2 292.404 2.216 20 30 CEEDLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595623928 345830913 /nfs/dbraw/zinc/83/09/13/345830913.db2.gz YZDRDTQCJATZRA-CYBMUJFWSA-N 1 2 292.404 2.216 20 30 CEEDLO C[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1[nH+]ccn1C ZINC000595845977 345897288 /nfs/dbraw/zinc/89/72/88/345897288.db2.gz YPXWEMJHRUWXCZ-GFCCVEGCSA-N 1 2 289.383 2.254 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000595833640 345890441 /nfs/dbraw/zinc/89/04/41/345890441.db2.gz IATRTPRGFFEXPK-WFASDCNBSA-N 1 2 258.321 2.062 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000595833640 345890444 /nfs/dbraw/zinc/89/04/44/345890444.db2.gz IATRTPRGFFEXPK-WFASDCNBSA-N 1 2 258.321 2.062 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000595838594 345893840 /nfs/dbraw/zinc/89/38/40/345893840.db2.gz WTJNSRHTCPHREW-MLGOLLRUSA-N 1 2 275.396 2.011 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000595838594 345893843 /nfs/dbraw/zinc/89/38/43/345893843.db2.gz WTJNSRHTCPHREW-MLGOLLRUSA-N 1 2 275.396 2.011 20 30 CEEDLO COc1ccc2c(c1)CC[N@@H+](C[C@@H](C#N)CCC#N)C2 ZINC000595759721 345869801 /nfs/dbraw/zinc/86/98/01/345869801.db2.gz OHYMEAJELIHMCS-CYBMUJFWSA-N 1 2 269.348 2.497 20 30 CEEDLO COc1ccc2c(c1)CC[N@H+](C[C@@H](C#N)CCC#N)C2 ZINC000595759721 345869805 /nfs/dbraw/zinc/86/98/05/345869805.db2.gz OHYMEAJELIHMCS-CYBMUJFWSA-N 1 2 269.348 2.497 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccccc1F)[C@@H](C)C#N ZINC000595811691 345882299 /nfs/dbraw/zinc/88/22/99/345882299.db2.gz FJKLODQDHJKKPZ-NSHDSACASA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@@H](C)C#N ZINC000595811691 345882300 /nfs/dbraw/zinc/88/23/00/345882300.db2.gz FJKLODQDHJKKPZ-NSHDSACASA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C#N ZINC000595818907 345885281 /nfs/dbraw/zinc/88/52/81/345885281.db2.gz ZYBFAPSESXMQFE-LBPRGKRZSA-N 1 2 270.336 2.121 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C#N ZINC000595818907 345885284 /nfs/dbraw/zinc/88/52/84/345885284.db2.gz ZYBFAPSESXMQFE-LBPRGKRZSA-N 1 2 270.336 2.121 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)cc1C#N ZINC000595920033 345913382 /nfs/dbraw/zinc/91/33/82/345913382.db2.gz YZJXMADUEUWZBW-HNNXBMFYSA-N 1 2 296.317 2.423 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@](C)(C(F)F)C2)cc1C#N ZINC000595920033 345913383 /nfs/dbraw/zinc/91/33/83/345913383.db2.gz YZJXMADUEUWZBW-HNNXBMFYSA-N 1 2 296.317 2.423 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1cc(C)c([N+](=O)[O-])c(C#N)c1)CC2 ZINC000596189948 345965524 /nfs/dbraw/zinc/96/55/24/345965524.db2.gz MTSMEKQNNOBBKF-UHFFFAOYSA-N 1 2 297.318 2.300 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596215738 345971597 /nfs/dbraw/zinc/97/15/97/345971597.db2.gz HOGWQTPTYUYVKY-CJNGLKHVSA-N 1 2 290.363 2.190 20 30 CEEDLO Cc1cc(NCC2CC[NH+](CC(F)F)CC2)c(C#N)cn1 ZINC000596237895 345976724 /nfs/dbraw/zinc/97/67/24/345976724.db2.gz BZOCVVYAFMOAFF-UHFFFAOYSA-N 1 2 294.349 2.073 20 30 CEEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000596710028 346078261 /nfs/dbraw/zinc/07/82/61/346078261.db2.gz JGLVAYRBSUPEMT-NHYWBVRUSA-N 1 2 298.321 2.035 20 30 CEEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000596710028 346078263 /nfs/dbraw/zinc/07/82/63/346078263.db2.gz JGLVAYRBSUPEMT-NHYWBVRUSA-N 1 2 298.321 2.035 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)CC#N)c1C ZINC000596995276 346113600 /nfs/dbraw/zinc/11/36/00/346113600.db2.gz LEVPHOIGJDAGOE-SNVBAGLBSA-N 1 2 275.352 2.215 20 30 CEEDLO CC[C@H](C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597040681 346119194 /nfs/dbraw/zinc/11/91/94/346119194.db2.gz XTDZERLZPUIVSF-KGLIPLIRSA-N 1 2 282.347 2.350 20 30 CEEDLO Cc1cn2ccc(NC(=O)NCCCCC#N)cc2[nH+]1 ZINC000597128775 346131911 /nfs/dbraw/zinc/13/19/11/346131911.db2.gz ZHPFEKUMSDFJAN-UHFFFAOYSA-N 1 2 271.324 2.458 20 30 CEEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC000597341029 346173775 /nfs/dbraw/zinc/17/37/75/346173775.db2.gz CFQXBFGNTNVBCG-HIFRSBDPSA-N 1 2 286.379 2.034 20 30 CEEDLO N#CCC1C[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000597194718 346146115 /nfs/dbraw/zinc/14/61/15/346146115.db2.gz YRFVDYPXYKRAJU-UHFFFAOYSA-N 1 2 266.348 2.277 20 30 CEEDLO Cc1cccn2cc(CC(=O)N([C@H](C)C#N)C3CC3)[nH+]c12 ZINC000598130152 346294555 /nfs/dbraw/zinc/29/45/55/346294555.db2.gz PGTNPUXYYSOKNJ-GFCCVEGCSA-N 1 2 282.347 2.088 20 30 CEEDLO CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)[C@@H](C)C#N ZINC000598352687 346335082 /nfs/dbraw/zinc/33/50/82/346335082.db2.gz LOAQJUHZIQNDJX-NSHDSACASA-N 1 2 270.336 2.105 20 30 CEEDLO CCc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591139 346378858 /nfs/dbraw/zinc/37/88/58/346378858.db2.gz UHEJZTMSUZOQJM-NWDGAFQWSA-N 1 2 292.383 2.070 20 30 CEEDLO CCc1nc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591139 346378860 /nfs/dbraw/zinc/37/88/60/346378860.db2.gz UHEJZTMSUZOQJM-NWDGAFQWSA-N 1 2 292.383 2.070 20 30 CEEDLO COc1ccc(F)c(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000598729478 346410784 /nfs/dbraw/zinc/41/07/84/346410784.db2.gz KCCNWKSHSBGUOC-NSHDSACASA-N 1 2 261.300 2.367 20 30 CEEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@H](C)CC#N)c1 ZINC000598839911 346426197 /nfs/dbraw/zinc/42/61/97/346426197.db2.gz AJCHCSCWTPULTL-GFCCVEGCSA-N 1 2 283.335 2.196 20 30 CEEDLO CC(C)Cn1ccnc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602595200 347093169 /nfs/dbraw/zinc/09/31/69/347093169.db2.gz XHGWENMSGCYDOD-UHFFFAOYSA-N 1 2 269.352 2.096 20 30 CEEDLO Cc1ccc2sc(C[N@@H+]3CC[C@](O)(CC#N)C3)nc2c1 ZINC000599454789 346524331 /nfs/dbraw/zinc/52/43/31/346524331.db2.gz BQGVRKKTEINTQB-OAHLLOKOSA-N 1 2 287.388 2.455 20 30 CEEDLO Cc1ccc2sc(C[N@H+]3CC[C@](O)(CC#N)C3)nc2c1 ZINC000599454789 346524333 /nfs/dbraw/zinc/52/43/33/346524333.db2.gz BQGVRKKTEINTQB-OAHLLOKOSA-N 1 2 287.388 2.455 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1C#N ZINC000599316939 346498439 /nfs/dbraw/zinc/49/84/39/346498439.db2.gz RQLHFJYSDBBLLJ-IAGOWNOFSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1C#N ZINC000599316939 346498440 /nfs/dbraw/zinc/49/84/40/346498440.db2.gz RQLHFJYSDBBLLJ-IAGOWNOFSA-N 1 2 286.375 2.247 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)s1 ZINC000599635360 346550391 /nfs/dbraw/zinc/55/03/91/346550391.db2.gz QCNKUCNQGVLMKZ-SNVBAGLBSA-N 1 2 254.330 2.180 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)s1 ZINC000599635360 346550392 /nfs/dbraw/zinc/55/03/92/346550392.db2.gz QCNKUCNQGVLMKZ-SNVBAGLBSA-N 1 2 254.330 2.180 20 30 CEEDLO Cc1c[nH]c(CN2CCC(C#N)(c3ccccn3)CC2)[nH+]1 ZINC000600159799 346609197 /nfs/dbraw/zinc/60/91/97/346609197.db2.gz XWLVQRPENKSZJW-UHFFFAOYSA-N 1 2 281.363 2.171 20 30 CEEDLO COc1cc(C[NH2+]Cc2ncnn2C(C)C)ccc1C#N ZINC000601125152 346760806 /nfs/dbraw/zinc/76/08/06/346760806.db2.gz MXDKHMCZZRUOLL-UHFFFAOYSA-N 1 2 285.351 2.029 20 30 CEEDLO N#CCc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000601034904 346736627 /nfs/dbraw/zinc/73/66/27/346736627.db2.gz OUXWMYYQRCZDOY-CQSZACIVSA-N 1 2 294.358 2.496 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601038450 346737339 /nfs/dbraw/zinc/73/73/39/346737339.db2.gz PFTXWHWVAKVTDG-ZDUSSCGKSA-N 1 2 282.347 2.175 20 30 CEEDLO CCOC1CC2(C1)CC[N@H+](Cc1nc(C#N)cs1)C2 ZINC000356313743 370654639 /nfs/dbraw/zinc/65/46/39/370654639.db2.gz DQRYAPNPBPTZTM-UHFFFAOYSA-N 1 2 277.393 2.406 20 30 CEEDLO CCOC1CC2(C1)CC[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000356313743 370654645 /nfs/dbraw/zinc/65/46/45/370654645.db2.gz DQRYAPNPBPTZTM-UHFFFAOYSA-N 1 2 277.393 2.406 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C(=O)OCC ZINC000602682032 347141668 /nfs/dbraw/zinc/14/16/68/347141668.db2.gz PSHABBZFFXWEGH-MELADBBJSA-N 1 2 269.385 2.432 20 30 CEEDLO COc1cccc(OC)c1C[NH2+]CC1(C#N)CCC1 ZINC000602695351 347152924 /nfs/dbraw/zinc/15/29/24/347152924.db2.gz NHSAAYHWZTWVLU-UHFFFAOYSA-N 1 2 260.337 2.487 20 30 CEEDLO N#Cc1cccc(C[NH2+][C@@H](CCO)c2ccccc2F)n1 ZINC000602697978 347153948 /nfs/dbraw/zinc/15/39/48/347153948.db2.gz RUWZEQHNPRTCPI-INIZCTEOSA-N 1 2 285.322 2.306 20 30 CEEDLO C[C@H](O)[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602700092 347155350 /nfs/dbraw/zinc/15/53/50/347155350.db2.gz RSWPINLFVNEOKU-MEDUHNTESA-N 1 2 285.322 2.304 20 30 CEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602798358 347202653 /nfs/dbraw/zinc/20/26/53/347202653.db2.gz KCFDFTRESAMGDB-ZDUSSCGKSA-N 1 2 274.368 2.094 20 30 CEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CC1(CC#N)CC1 ZINC000602798358 347202657 /nfs/dbraw/zinc/20/26/57/347202657.db2.gz KCFDFTRESAMGDB-ZDUSSCGKSA-N 1 2 274.368 2.094 20 30 CEEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CCN1CC(F)(F)F ZINC000602801885 347205073 /nfs/dbraw/zinc/20/50/73/347205073.db2.gz VELRUDAQZPBMES-LLVKDONJSA-N 1 2 275.318 2.249 20 30 CEEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCN1CC(F)(F)F ZINC000602801885 347205074 /nfs/dbraw/zinc/20/50/74/347205074.db2.gz VELRUDAQZPBMES-LLVKDONJSA-N 1 2 275.318 2.249 20 30 CEEDLO C=C(C)C[C@@H](NCc1cn2cc(C)ccc2[nH+]1)C(=O)OC ZINC000602732344 347176407 /nfs/dbraw/zinc/17/64/07/347176407.db2.gz AXFVSMSSZATBJX-CQSZACIVSA-N 1 2 287.363 2.240 20 30 CEEDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602853484 347225231 /nfs/dbraw/zinc/22/52/31/347225231.db2.gz IXCXADDMGWUZNM-MGPQQGTHSA-N 1 2 295.427 2.025 20 30 CEEDLO CCc1nc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cs1 ZINC000602857780 347227207 /nfs/dbraw/zinc/22/72/07/347227207.db2.gz UXMZVJXMIQLATC-VXGBXAGGSA-N 1 2 278.425 2.124 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)N1CC#N ZINC000602860505 347228006 /nfs/dbraw/zinc/22/80/06/347228006.db2.gz IYYADFSUCSFBAZ-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)N1CC#N ZINC000602860505 347228010 /nfs/dbraw/zinc/22/80/10/347228010.db2.gz IYYADFSUCSFBAZ-BETUJISGSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(C)Cc1cccc(F)c1 ZINC000602860402 347228132 /nfs/dbraw/zinc/22/81/32/347228132.db2.gz BKFUKVFEKWXOIV-NWDGAFQWSA-N 1 2 277.343 2.064 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCC1CCCCC1 ZINC000602862046 347228921 /nfs/dbraw/zinc/22/89/21/347228921.db2.gz KPMNCGPLDFFMBH-CYBMUJFWSA-N 1 2 265.401 2.355 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000602861208 347228990 /nfs/dbraw/zinc/22/89/90/347228990.db2.gz GCWNTQJEURGBHA-ZDUSSCGKSA-N 1 2 271.364 2.069 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000602862105 347229177 /nfs/dbraw/zinc/22/91/77/347229177.db2.gz IWJFNPJJENSMSO-STQMWFEESA-N 1 2 271.364 2.246 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCSc1ccccc1 ZINC000602863209 347230103 /nfs/dbraw/zinc/23/01/03/347230103.db2.gz LWWDDGHEMLZQFZ-CYBMUJFWSA-N 1 2 291.420 2.177 20 30 CEEDLO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)CC#N)cc1C ZINC000602863257 347230277 /nfs/dbraw/zinc/23/02/77/347230277.db2.gz MCVQFESSYFLJJK-KBPBESRZSA-N 1 2 273.380 2.372 20 30 CEEDLO CC(C)c1n[nH]c(CC2CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000602866904 347231474 /nfs/dbraw/zinc/23/14/74/347231474.db2.gz UFRCUIJQXCNNNU-UHFFFAOYSA-N 1 2 287.411 2.486 20 30 CEEDLO CC(C)c1nnc(CC2CC[NH+](CC3(C#N)CC3)CC2)[nH]1 ZINC000602866904 347231479 /nfs/dbraw/zinc/23/14/79/347231479.db2.gz UFRCUIJQXCNNNU-UHFFFAOYSA-N 1 2 287.411 2.486 20 30 CEEDLO CC(C)c1nc(CC2CC[NH+](CC3(C#N)CC3)CC2)n[nH]1 ZINC000602866904 347231481 /nfs/dbraw/zinc/23/14/81/347231481.db2.gz UFRCUIJQXCNNNU-UHFFFAOYSA-N 1 2 287.411 2.486 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000602870469 347233050 /nfs/dbraw/zinc/23/30/50/347233050.db2.gz UHOWJKZBYYHYPQ-VIFPVBQESA-N 1 2 274.349 2.127 20 30 CEEDLO Cc1nocc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000351795318 219208514 /nfs/dbraw/zinc/20/85/14/219208514.db2.gz LEPXXMJPGFGXBC-MRXNPFEDSA-N 1 2 283.331 2.428 20 30 CEEDLO Cc1nocc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000351795318 219208516 /nfs/dbraw/zinc/20/85/16/219208516.db2.gz LEPXXMJPGFGXBC-MRXNPFEDSA-N 1 2 283.331 2.428 20 30 CEEDLO N#CC1(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1 ZINC000603142025 347296258 /nfs/dbraw/zinc/29/62/58/347296258.db2.gz AEVDTDYYHJNINF-OLZOCXBDSA-N 1 2 298.308 2.414 20 30 CEEDLO C[N@H+](CC(=O)NC1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602976944 347262479 /nfs/dbraw/zinc/26/24/79/347262479.db2.gz VOQLKFDMDUNTNP-GXTWGEPZSA-N 1 2 263.385 2.059 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602976944 347262482 /nfs/dbraw/zinc/26/24/82/347262482.db2.gz VOQLKFDMDUNTNP-GXTWGEPZSA-N 1 2 263.385 2.059 20 30 CEEDLO C[N@H+](CCn1cnc2ccccc2c1=O)[C@H]1CCC[C@H]1C#N ZINC000602980666 347263951 /nfs/dbraw/zinc/26/39/51/347263951.db2.gz SXXBXZMCLOBXKC-BBRMVZONSA-N 1 2 296.374 2.021 20 30 CEEDLO C[N@@H+](CCn1cnc2ccccc2c1=O)[C@H]1CCC[C@H]1C#N ZINC000602980666 347263952 /nfs/dbraw/zinc/26/39/52/347263952.db2.gz SXXBXZMCLOBXKC-BBRMVZONSA-N 1 2 296.374 2.021 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1cnc(C#N)cn1)c1ccccc1 ZINC000609287520 347632784 /nfs/dbraw/zinc/63/27/84/347632784.db2.gz PHGWTGVWNAHPKC-OAHLLOKOSA-N 1 2 290.330 2.283 20 30 CEEDLO N#CC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CCOCC1 ZINC000609449446 347639879 /nfs/dbraw/zinc/63/98/79/347639879.db2.gz KBZBWAZAIMAGQM-UHFFFAOYSA-N 1 2 296.330 2.336 20 30 CEEDLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1cccc(C#N)c1 ZINC000610340350 347673510 /nfs/dbraw/zinc/67/35/10/347673510.db2.gz MLLBPCVCMDVFDH-JTQLQIEISA-N 1 2 278.319 2.408 20 30 CEEDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000611386412 347772168 /nfs/dbraw/zinc/77/21/68/347772168.db2.gz UWOZUTJBODCFIC-SNVBAGLBSA-N 1 2 256.309 2.354 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)ccn1 ZINC000610994591 347729948 /nfs/dbraw/zinc/72/99/48/347729948.db2.gz WFNHCFXJNOBXFS-KRWDZBQOSA-N 1 2 295.342 2.232 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)ccn1 ZINC000610994591 347729951 /nfs/dbraw/zinc/72/99/51/347729951.db2.gz WFNHCFXJNOBXFS-KRWDZBQOSA-N 1 2 295.342 2.232 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578432 347796791 /nfs/dbraw/zinc/79/67/91/347796791.db2.gz DMGYFVQFXAPGPJ-MNOVXSKESA-N 1 2 257.284 2.134 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578432 347796793 /nfs/dbraw/zinc/79/67/93/347796793.db2.gz DMGYFVQFXAPGPJ-MNOVXSKESA-N 1 2 257.284 2.134 20 30 CEEDLO Cc1nc(NC2CCN(CC#N)CC2)c2c([nH+]1)CCCC2 ZINC000611706404 347807609 /nfs/dbraw/zinc/80/76/09/347807609.db2.gz KCGSPTRAYAANKV-UHFFFAOYSA-N 1 2 285.395 2.064 20 30 CEEDLO C[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1F ZINC000611502720 347786362 /nfs/dbraw/zinc/78/63/62/347786362.db2.gz XIFYVCOKNXDHOV-KBPBESRZSA-N 1 2 295.402 2.351 20 30 CEEDLO C[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1F ZINC000611502720 347786366 /nfs/dbraw/zinc/78/63/66/347786366.db2.gz XIFYVCOKNXDHOV-KBPBESRZSA-N 1 2 295.402 2.351 20 30 CEEDLO C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H]1F ZINC000611521411 347790217 /nfs/dbraw/zinc/79/02/17/347790217.db2.gz DOSXNCSSVJSAIF-RISCZKNCSA-N 1 2 272.327 2.386 20 30 CEEDLO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H]1F ZINC000611521411 347790219 /nfs/dbraw/zinc/79/02/19/347790219.db2.gz DOSXNCSSVJSAIF-RISCZKNCSA-N 1 2 272.327 2.386 20 30 CEEDLO C[C@@]1(C#N)CCCN(CC[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612160138 347851296 /nfs/dbraw/zinc/85/12/96/347851296.db2.gz GJISJTHFUMTZKN-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO C[C@@]1(C#N)CCCN(CC[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612160138 347851298 /nfs/dbraw/zinc/85/12/98/347851298.db2.gz GJISJTHFUMTZKN-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](CCN2CCC[C@](C)(C#N)C2)C1 ZINC000612160138 347851299 /nfs/dbraw/zinc/85/12/99/347851299.db2.gz GJISJTHFUMTZKN-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](CCN2CCC[C@](C)(C#N)C2)C1 ZINC000612160138 347851303 /nfs/dbraw/zinc/85/13/03/347851303.db2.gz GJISJTHFUMTZKN-IYBDPMFKSA-N 1 2 274.412 2.238 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000130296500 365941755 /nfs/dbraw/zinc/94/17/55/365941755.db2.gz MBFXYPQEXWLZAV-ZDUSSCGKSA-N 1 2 271.364 2.010 20 30 CEEDLO N#Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)ccc1Cl ZINC000612602985 347906515 /nfs/dbraw/zinc/90/65/15/347906515.db2.gz MUYJJYJAHLOVSV-UHFFFAOYSA-N 1 2 286.722 2.105 20 30 CEEDLO Cn1nc(C[NH2+]C[C@@H](C#N)CCC#N)c2ccccc21 ZINC000612674549 347915875 /nfs/dbraw/zinc/91/58/75/347915875.db2.gz HHXXBELYWNFSPI-GFCCVEGCSA-N 1 2 267.336 2.106 20 30 CEEDLO CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H](C)C#N ZINC000066424917 362865655 /nfs/dbraw/zinc/86/56/55/362865655.db2.gz AOHURVDZVJBQJV-CQSZACIVSA-N 1 2 267.417 2.361 20 30 CEEDLO CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H](C)C#N ZINC000066424917 362865659 /nfs/dbraw/zinc/86/56/59/362865659.db2.gz AOHURVDZVJBQJV-CQSZACIVSA-N 1 2 267.417 2.361 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000066565058 362874783 /nfs/dbraw/zinc/87/47/83/362874783.db2.gz RNWHLFQWIMIFRL-UHFFFAOYSA-N 1 2 279.409 2.084 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1scnc1C ZINC000066565058 362874786 /nfs/dbraw/zinc/87/47/86/362874786.db2.gz RNWHLFQWIMIFRL-UHFFFAOYSA-N 1 2 279.409 2.084 20 30 CEEDLO C=CCC1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CCC1 ZINC000615536058 348344685 /nfs/dbraw/zinc/34/46/85/348344685.db2.gz GAHRIHFJJABVDB-HNNXBMFYSA-N 1 2 292.423 2.056 20 30 CEEDLO Cc1[nH+]c2ccccn2c1CN1CC[C@@](F)(C#N)C1 ZINC000615647441 348366797 /nfs/dbraw/zinc/36/67/97/348366797.db2.gz XYIQWLGUNCVDKG-CQSZACIVSA-N 1 2 258.300 2.080 20 30 CEEDLO Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1C#N ZINC000615698972 348376535 /nfs/dbraw/zinc/37/65/35/348376535.db2.gz KSUOCSFVYSJGRP-ZDUSSCGKSA-N 1 2 267.336 2.300 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000617779014 348789133 /nfs/dbraw/zinc/78/91/33/348789133.db2.gz SUHBPVUCASFQEL-MGPQQGTHSA-N 1 2 273.380 2.338 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000130446900 365957588 /nfs/dbraw/zinc/95/75/88/365957588.db2.gz BYINOGKPGWKXMS-GOEBONIOSA-N 1 2 272.348 2.320 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000130446900 365957595 /nfs/dbraw/zinc/95/75/95/365957595.db2.gz BYINOGKPGWKXMS-GOEBONIOSA-N 1 2 272.348 2.320 20 30 CEEDLO Cc1csc([C@@H](C)[NH+]2CCN(CCC#N)CC2)n1 ZINC000618762210 349038997 /nfs/dbraw/zinc/03/89/97/349038997.db2.gz CURDZMAQGOSDPA-GFCCVEGCSA-N 1 2 264.398 2.044 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)C(=O)OC ZINC000619704307 349224960 /nfs/dbraw/zinc/22/49/60/349224960.db2.gz CTBZBTOLQLXIOV-GDBMZVCRSA-N 1 2 288.391 2.220 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000619718829 349228175 /nfs/dbraw/zinc/22/81/75/349228175.db2.gz BJLOPLJNWONXMU-HNNXBMFYSA-N 1 2 287.359 2.236 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccsc1 ZINC000619746330 349232548 /nfs/dbraw/zinc/23/25/48/349232548.db2.gz NQOOLGBTERQPAD-QMTHXVAHSA-N 1 2 285.372 2.497 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883390 349241859 /nfs/dbraw/zinc/24/18/59/349241859.db2.gz GZLAPAAYFZYFOK-OAHLLOKOSA-N 1 2 294.439 2.160 20 30 CEEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000624082935 350187403 /nfs/dbraw/zinc/18/74/03/350187403.db2.gz WKEKWQMXTMTMLR-CHWSQXEVSA-N 1 2 287.411 2.433 20 30 CEEDLO N#CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000105608698 186065965 /nfs/dbraw/zinc/06/59/65/186065965.db2.gz QNCNCAVRFLGUGI-UHFFFAOYSA-N 1 2 258.281 2.065 20 30 CEEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000271356304 191093725 /nfs/dbraw/zinc/09/37/25/191093725.db2.gz HIRVIICCAYUKAT-UHFFFAOYSA-N 1 2 274.364 2.117 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000107578896 186181335 /nfs/dbraw/zinc/18/13/35/186181335.db2.gz JIXIOPFPKBMQOO-ZDUSSCGKSA-N 1 2 281.319 2.044 20 30 CEEDLO COC[C@@]1(C)C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000626176497 350677555 /nfs/dbraw/zinc/67/75/55/350677555.db2.gz PMNXLINQAOXXSM-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO COC[C@@]1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000626176497 350677557 /nfs/dbraw/zinc/67/75/57/350677557.db2.gz PMNXLINQAOXXSM-MRXNPFEDSA-N 1 2 293.794 2.429 20 30 CEEDLO Cc1nc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1C#N ZINC000291932186 198109809 /nfs/dbraw/zinc/10/98/09/198109809.db2.gz MEXGIKYGCOIAAU-AWEZNQCLSA-N 1 2 279.347 2.348 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)Nc1nc(C)[nH+]c(N)n1 ZINC000631304339 352062686 /nfs/dbraw/zinc/06/26/86/352062686.db2.gz RHHYWVDAEZLQDJ-ZDUSSCGKSA-N 1 2 269.352 2.192 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)Nc1nc(N)nc(C)[nH+]1 ZINC000631304339 352062691 /nfs/dbraw/zinc/06/26/91/352062691.db2.gz RHHYWVDAEZLQDJ-ZDUSSCGKSA-N 1 2 269.352 2.192 20 30 CEEDLO CCc1cccc(OCC[N@@H+](CCC#N)CCOC)c1 ZINC000072690089 363158366 /nfs/dbraw/zinc/15/83/66/363158366.db2.gz RUUWSNYEDDONRZ-UHFFFAOYSA-N 1 2 276.380 2.490 20 30 CEEDLO CCc1cccc(OCC[N@H+](CCC#N)CCOC)c1 ZINC000072690089 363158370 /nfs/dbraw/zinc/15/83/70/363158370.db2.gz RUUWSNYEDDONRZ-UHFFFAOYSA-N 1 2 276.380 2.490 20 30 CEEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cccc(F)c1 ZINC000072690207 363158400 /nfs/dbraw/zinc/15/84/00/363158400.db2.gz FOJZMFYYUCEEGV-UHFFFAOYSA-N 1 2 293.342 2.016 20 30 CEEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cccc(F)c1 ZINC000072690207 363158406 /nfs/dbraw/zinc/15/84/06/363158406.db2.gz FOJZMFYYUCEEGV-UHFFFAOYSA-N 1 2 293.342 2.016 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000337496588 366157201 /nfs/dbraw/zinc/15/72/01/366157201.db2.gz IXWGTZQWUULIMO-UHFFFAOYSA-N 1 2 270.735 2.213 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000337496588 366157208 /nfs/dbraw/zinc/15/72/08/366157208.db2.gz IXWGTZQWUULIMO-UHFFFAOYSA-N 1 2 270.735 2.213 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+](C)CCCSCC#N)n1 ZINC000074991686 363432308 /nfs/dbraw/zinc/43/23/08/363432308.db2.gz BUVBMNXHXVUUQF-LLVKDONJSA-N 1 2 298.412 2.246 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCSCC#N)n1 ZINC000074991686 363432314 /nfs/dbraw/zinc/43/23/14/363432314.db2.gz BUVBMNXHXVUUQF-LLVKDONJSA-N 1 2 298.412 2.246 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CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C#N)s3)[C@H]2C1 ZINC000247287943 371088426 /nfs/dbraw/zinc/08/84/26/371088426.db2.gz YYXKJSWLACHMTB-UGFHNGPFSA-N 1 2 292.404 2.388 20 30 CEEDLO CCOc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000247783149 371142081 /nfs/dbraw/zinc/14/20/81/371142081.db2.gz XXVJDSARLOAQLC-ZIAGYGMSSA-N 1 2 292.379 2.059 20 30 CEEDLO CCOc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000247783149 371142086 /nfs/dbraw/zinc/14/20/86/371142086.db2.gz XXVJDSARLOAQLC-ZIAGYGMSSA-N 1 2 292.379 2.059 20 30 CEEDLO N#CCCCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360609566 371522069 /nfs/dbraw/zinc/52/20/69/371522069.db2.gz DRGBAYSAHBFDRN-UHFFFAOYSA-N 1 2 275.327 2.168 20 30 CEEDLO N#CCCCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360609566 371522074 /nfs/dbraw/zinc/52/20/74/371522074.db2.gz DRGBAYSAHBFDRN-UHFFFAOYSA-N 1 2 275.327 2.168 20 30 CEEDLO C[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000359998570 371498877 /nfs/dbraw/zinc/49/88/77/371498877.db2.gz DQAGHSPZVYFDFT-QWHCGFSZSA-N 1 2 282.347 2.063 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000263757932 371949331 /nfs/dbraw/zinc/94/93/31/371949331.db2.gz XSUWTKBSQFERFN-NEPJUHHUSA-N 1 2 282.771 2.171 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000263757932 371949336 /nfs/dbraw/zinc/94/93/36/371949336.db2.gz XSUWTKBSQFERFN-NEPJUHHUSA-N 1 2 282.771 2.171 20 30 CEEDLO N#CCC[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccco1 ZINC000361825117 372087001 /nfs/dbraw/zinc/08/70/01/372087001.db2.gz JCOATXHATYFLRZ-UHFFFAOYSA-N 1 2 298.346 2.419 20 30 CEEDLO N#CCC[N@H+](CCC(=O)Nc1cccnc1)Cc1ccco1 ZINC000361825117 372087009 /nfs/dbraw/zinc/08/70/09/372087009.db2.gz JCOATXHATYFLRZ-UHFFFAOYSA-N 1 2 298.346 2.419 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1C#N ZINC000362511609 372396638 /nfs/dbraw/zinc/39/66/38/372396638.db2.gz NWCAOCLZWNMSGN-INIZCTEOSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1C#N ZINC000362511609 372396641 /nfs/dbraw/zinc/39/66/41/372396641.db2.gz NWCAOCLZWNMSGN-INIZCTEOSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1C#N ZINC000362511610 372397149 /nfs/dbraw/zinc/39/71/49/372397149.db2.gz NWCAOCLZWNMSGN-MRXNPFEDSA-N 1 2 272.348 2.178 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1C#N ZINC000362511610 372397153 /nfs/dbraw/zinc/39/71/53/372397153.db2.gz NWCAOCLZWNMSGN-MRXNPFEDSA-N 1 2 272.348 2.178 20 30 CEEDLO C=C(C)[C@H](CC(=O)NC[C@@H](C)Cn1cc[nH+]c1)OCC ZINC000270168796 372686442 /nfs/dbraw/zinc/68/64/42/372686442.db2.gz KWTYLWNPXLJZOQ-KGLIPLIRSA-N 1 2 279.384 2.007 20 30 CEEDLO Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000333485030 205364043 /nfs/dbraw/zinc/36/40/43/205364043.db2.gz PZEVINGMRCBFHR-HIFRSBDPSA-N 1 2 257.337 2.053 20 30 CEEDLO C=C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272295121 373414538 /nfs/dbraw/zinc/41/45/38/373414538.db2.gz KGTRZZUVYFXKCQ-UHFFFAOYSA-N 1 2 268.320 2.060 20 30 CEEDLO Cc1nc(N2CCN(c3ccc(F)cc3C#N)CC2)cc[nH+]1 ZINC000273532858 373762179 /nfs/dbraw/zinc/76/21/79/373762179.db2.gz UYAHEIGQFSBCEI-UHFFFAOYSA-N 1 2 297.337 2.122 20 30 CEEDLO C#CC[N@@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274362037 373894487 /nfs/dbraw/zinc/89/44/87/373894487.db2.gz ZWDOSLOILNHXRP-UHFFFAOYSA-N 1 2 266.272 2.198 20 30 CEEDLO C#CC[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274362037 373894493 /nfs/dbraw/zinc/89/44/93/373894493.db2.gz ZWDOSLOILNHXRP-UHFFFAOYSA-N 1 2 266.272 2.198 20 30 CEEDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000274563011 373963341 /nfs/dbraw/zinc/96/33/41/373963341.db2.gz CRXIEGGPBKZVTM-JTQLQIEISA-N 1 2 255.325 2.090 20 30 CEEDLO C=CCCCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000274465879 373932518 /nfs/dbraw/zinc/93/25/18/373932518.db2.gz LFNFSWQJOZNSLS-CQSZACIVSA-N 1 2 290.411 2.454 20 30 CEEDLO C=CCCCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000274465879 373932528 /nfs/dbraw/zinc/93/25/28/373932528.db2.gz LFNFSWQJOZNSLS-CQSZACIVSA-N 1 2 290.411 2.454 20 30 CEEDLO C=CCCN(C)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645757923 374168702 /nfs/dbraw/zinc/16/87/02/374168702.db2.gz LEFXMBPZMARGAW-UHFFFAOYSA-N 1 2 286.379 2.403 20 30 CEEDLO CCn1ncnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373281967 374315596 /nfs/dbraw/zinc/31/55/96/374315596.db2.gz ATQUESLLHSEMRE-UHFFFAOYSA-N 1 2 293.374 2.459 20 30 CEEDLO CCn1ncnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373281967 374315602 /nfs/dbraw/zinc/31/56/02/374315602.db2.gz ATQUESLLHSEMRE-UHFFFAOYSA-N 1 2 293.374 2.459 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@]2(CCOC2)O1 ZINC000373478079 374362688 /nfs/dbraw/zinc/36/26/88/374362688.db2.gz DGWRCDXNGHUTKY-IRXDYDNUSA-N 1 2 286.375 2.328 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@]2(CCOC2)O1 ZINC000373478079 374362694 /nfs/dbraw/zinc/36/26/94/374362694.db2.gz DGWRCDXNGHUTKY-IRXDYDNUSA-N 1 2 286.375 2.328 20 30 CEEDLO Cn1cc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1C#N ZINC000373627892 374393322 /nfs/dbraw/zinc/39/33/22/374393322.db2.gz YYSBPUAEFAJZQW-CYBMUJFWSA-N 1 2 289.285 2.398 20 30 CEEDLO N#Cc1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1 ZINC000373959353 374457932 /nfs/dbraw/zinc/45/79/32/374457932.db2.gz QYKNOERCTRYUSB-UHFFFAOYSA-N 1 2 287.326 2.444 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277353388 374489539 /nfs/dbraw/zinc/48/95/39/374489539.db2.gz DOMJJGNAOSULRN-VLIAUNLRSA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277353388 374489546 /nfs/dbraw/zinc/48/95/46/374489546.db2.gz DOMJJGNAOSULRN-VLIAUNLRSA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCOc1ccccc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277353380 374489633 /nfs/dbraw/zinc/48/96/33/374489633.db2.gz DOMJJGNAOSULRN-JLTOFOAXSA-N 1 2 291.416 2.042 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277353380 374489641 /nfs/dbraw/zinc/48/96/41/374489641.db2.gz DOMJJGNAOSULRN-JLTOFOAXSA-N 1 2 291.416 2.042 20 30 CEEDLO CC[N@@H+]1CC[C@@H](NCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374851939 374634148 /nfs/dbraw/zinc/63/41/48/374634148.db2.gz AMQFKHRVSGDYIC-TZMCWYRMSA-N 1 2 283.297 2.352 20 30 CEEDLO CC[N@H+]1CC[C@@H](NCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374851939 374634158 /nfs/dbraw/zinc/63/41/58/374634158.db2.gz AMQFKHRVSGDYIC-TZMCWYRMSA-N 1 2 283.297 2.352 20 30 CEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C#N)CCC#N ZINC000374668452 374626629 /nfs/dbraw/zinc/62/66/29/374626629.db2.gz GQACWQPWCKZOFK-BMFZPTHFSA-N 1 2 295.390 2.484 20 30 CEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C#N)CCC#N ZINC000374668452 374626636 /nfs/dbraw/zinc/62/66/36/374626636.db2.gz GQACWQPWCKZOFK-BMFZPTHFSA-N 1 2 295.390 2.484 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000375230782 374645920 /nfs/dbraw/zinc/64/59/20/374645920.db2.gz WKZTZYQNSJHGRE-UHFFFAOYSA-N 1 2 292.329 2.356 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000375230782 374645932 /nfs/dbraw/zinc/64/59/32/374645932.db2.gz WKZTZYQNSJHGRE-UHFFFAOYSA-N 1 2 292.329 2.356 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000375743124 374675422 /nfs/dbraw/zinc/67/54/22/374675422.db2.gz NJCMYWJYXGHONC-NWDGAFQWSA-N 1 2 289.301 2.209 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000375743124 374675427 /nfs/dbraw/zinc/67/54/27/374675427.db2.gz NJCMYWJYXGHONC-NWDGAFQWSA-N 1 2 289.301 2.209 20 30 CEEDLO N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378402136 375092540 /nfs/dbraw/zinc/09/25/40/375092540.db2.gz LPSZACSLWHVWIG-CYBMUJFWSA-N 1 2 296.330 2.024 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280245636 375142395 /nfs/dbraw/zinc/14/23/95/375142395.db2.gz BTDVSVRVSRDBLS-SNVBAGLBSA-N 1 2 264.350 2.008 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280245636 375142399 /nfs/dbraw/zinc/14/23/99/375142399.db2.gz BTDVSVRVSRDBLS-SNVBAGLBSA-N 1 2 264.350 2.008 20 30 CEEDLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000393443846 375323160 /nfs/dbraw/zinc/32/31/60/375323160.db2.gz XFSPDQYBWYZIJE-UHFFFAOYSA-N 1 2 266.757 2.296 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(CC)o2)C1=O ZINC000281353840 375375107 /nfs/dbraw/zinc/37/51/07/375375107.db2.gz UHSSTDHNACCDHY-AWEZNQCLSA-N 1 2 262.353 2.061 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(CC)o2)C1=O ZINC000281353840 375375109 /nfs/dbraw/zinc/37/51/09/375375109.db2.gz UHSSTDHNACCDHY-AWEZNQCLSA-N 1 2 262.353 2.061 20 30 CEEDLO Cc1nc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1C#N ZINC000283167085 375667454 /nfs/dbraw/zinc/66/74/54/375667454.db2.gz ZRQNSZQBBOZKEQ-CYBMUJFWSA-N 1 2 283.335 2.112 20 30 CEEDLO Cc1ccc(Cl)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414151697 375797576 /nfs/dbraw/zinc/79/75/76/375797576.db2.gz WLGGFZCXKMIJHP-CYBMUJFWSA-N 1 2 282.771 2.234 20 30 CEEDLO Cc1ccc(Cl)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414151697 375797582 /nfs/dbraw/zinc/79/75/82/375797582.db2.gz WLGGFZCXKMIJHP-CYBMUJFWSA-N 1 2 282.771 2.234 20 30 CEEDLO C[C@]1(O)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287718360 376300091 /nfs/dbraw/zinc/30/00/91/376300091.db2.gz KBDPUJPOHOXUMB-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO C[C@]1(O)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287718360 376300095 /nfs/dbraw/zinc/30/00/95/376300095.db2.gz KBDPUJPOHOXUMB-ZDUSSCGKSA-N 1 2 295.180 2.277 20 30 CEEDLO N#Cc1ccc(Cl)cc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418925946 376365848 /nfs/dbraw/zinc/36/58/48/376365848.db2.gz QPYCQWCKKLBFEY-OKILXGFUSA-N 1 2 292.766 2.454 20 30 CEEDLO N#Cc1ccc(Cl)cc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418925946 376365857 /nfs/dbraw/zinc/36/58/57/376365857.db2.gz QPYCQWCKKLBFEY-OKILXGFUSA-N 1 2 292.766 2.454 20 30 CEEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000289686376 376445554 /nfs/dbraw/zinc/44/55/54/376445554.db2.gz ZXSURTBOJXFRAN-HNNXBMFYSA-N 1 2 269.352 2.347 20 30 CEEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000289686376 376445557 /nfs/dbraw/zinc/44/55/57/376445557.db2.gz ZXSURTBOJXFRAN-HNNXBMFYSA-N 1 2 269.352 2.347 20 30 CEEDLO CC[N@H+](CCCNc1cc(C#N)ncn1)c1ccccc1 ZINC000559489472 376681369 /nfs/dbraw/zinc/68/13/69/376681369.db2.gz CYQIOSXEVNQUBS-UHFFFAOYSA-N 1 2 281.363 2.099 20 30 CEEDLO CC[N@@H+](CCCNc1cc(C#N)ncn1)c1ccccc1 ZINC000559489472 376681381 /nfs/dbraw/zinc/68/13/81/376681381.db2.gz CYQIOSXEVNQUBS-UHFFFAOYSA-N 1 2 281.363 2.099 20 30 CEEDLO C=C1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000264469695 190112026 /nfs/dbraw/zinc/11/20/26/190112026.db2.gz NBYTXDUTTVVIBY-CYBMUJFWSA-N 1 2 269.352 2.375 20 30 CEEDLO C=CCOCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575371 376828729 /nfs/dbraw/zinc/82/87/29/376828729.db2.gz JWHYOVBXOFUSBC-UHFFFAOYSA-N 1 2 262.353 2.297 20 30 CEEDLO CCC[C@@H]1C[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328804329 376902030 /nfs/dbraw/zinc/90/20/30/376902030.db2.gz HIFSPNZBMKOLQZ-UPJWGTAASA-N 1 2 276.384 2.312 20 30 CEEDLO CN(C)c1ccc(CNC(=O)NCC2(C3CC3)CC2)c[nH+]1 ZINC000328662360 376873359 /nfs/dbraw/zinc/87/33/59/376873359.db2.gz XGRUEQIFJLBUCC-UHFFFAOYSA-N 1 2 288.395 2.341 20 30 CEEDLO C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328843501 376908704 /nfs/dbraw/zinc/90/87/04/376908704.db2.gz UWZCCPBDHXVMJO-UPJWGTAASA-N 1 2 276.384 2.453 20 30 CEEDLO Cc1ncc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000328863250 376913215 /nfs/dbraw/zinc/91/32/15/376913215.db2.gz ZEGQWQSRGACZPI-VIFPVBQESA-N 1 2 262.338 2.499 20 30 CEEDLO Cc1c(C[N@H+](C)Cc2ccc(C#N)s2)cnn1C ZINC000562627135 376949098 /nfs/dbraw/zinc/94/90/98/376949098.db2.gz GRJWYUFLZSRVJM-UHFFFAOYSA-N 1 2 260.366 2.294 20 30 CEEDLO Cc1c(C[N@@H+](C)Cc2ccc(C#N)s2)cnn1C ZINC000562627135 376949103 /nfs/dbraw/zinc/94/91/03/376949103.db2.gz GRJWYUFLZSRVJM-UHFFFAOYSA-N 1 2 260.366 2.294 20 30 CEEDLO Cn1c(NC(=O)[C@H]2CCn3c[nH+]cc3C2)nc2cccnc21 ZINC000329481044 376964177 /nfs/dbraw/zinc/96/41/77/376964177.db2.gz DGLHIZOHHRTQNA-JTQLQIEISA-N 1 2 296.334 2.015 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)C1=O ZINC000428981773 377505769 /nfs/dbraw/zinc/50/57/69/377505769.db2.gz ZLPDPPKACFXCAZ-CYBMUJFWSA-N 1 2 291.395 2.325 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2oc(C(C)C)nc2C)C1=O ZINC000428981773 377505777 /nfs/dbraw/zinc/50/57/77/377505777.db2.gz ZLPDPPKACFXCAZ-CYBMUJFWSA-N 1 2 291.395 2.325 20 30 CEEDLO CC[N@H+](CCCNc1ncncc1C#N)c1ccccc1 ZINC000564894044 377492925 /nfs/dbraw/zinc/49/29/25/377492925.db2.gz ZAWICQGJPHNTOB-UHFFFAOYSA-N 1 2 281.363 2.099 20 30 CEEDLO CC[N@@H+](CCCNc1ncncc1C#N)c1ccccc1 ZINC000564894044 377492932 /nfs/dbraw/zinc/49/29/32/377492932.db2.gz ZAWICQGJPHNTOB-UHFFFAOYSA-N 1 2 281.363 2.099 20 30 CEEDLO C=CCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265258136 190170402 /nfs/dbraw/zinc/17/04/02/190170402.db2.gz KPYUYAKCYRLAIP-AWEZNQCLSA-N 1 2 273.380 2.253 20 30 CEEDLO C=CCCC[NH2+][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000265433234 190181475 /nfs/dbraw/zinc/18/14/75/190181475.db2.gz GEJPYMQGKRCZLQ-AWEZNQCLSA-N 1 2 263.337 2.465 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc(C#N)n1 ZINC000565302070 377635912 /nfs/dbraw/zinc/63/59/12/377635912.db2.gz ASDGMCNLYSBFOA-UHFFFAOYSA-N 1 2 298.350 2.127 20 30 CEEDLO C[C@@H](CC(=O)NCCc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000565425414 377657516 /nfs/dbraw/zinc/65/75/16/377657516.db2.gz CQDHAEWZWWJDPZ-ZDUSSCGKSA-N 1 2 282.347 2.065 20 30 CEEDLO C[C@H](CCC(C)(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565661636 377684264 /nfs/dbraw/zinc/68/42/64/377684264.db2.gz QCUIVGQZQKAPQZ-IUODEOHRSA-N 1 2 267.417 2.409 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000432354596 377750791 /nfs/dbraw/zinc/75/07/91/377750791.db2.gz YQILOYWAEWCRTC-GFCCVEGCSA-N 1 2 276.384 2.099 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000435600797 377806021 /nfs/dbraw/zinc/80/60/21/377806021.db2.gz GESMTUQTKBFYJA-XJKSGUPXSA-N 1 2 288.395 2.114 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000435600797 377806031 /nfs/dbraw/zinc/80/60/31/377806031.db2.gz GESMTUQTKBFYJA-XJKSGUPXSA-N 1 2 288.395 2.114 20 30 CEEDLO C[N@H+](CC(=O)N1CCc2ccccc2C1)CC(C)(C)C#N ZINC000433305591 377786982 /nfs/dbraw/zinc/78/69/82/377786982.db2.gz OCUUZIIKRBLPNS-UHFFFAOYSA-N 1 2 285.391 2.053 20 30 CEEDLO C[N@@H+](CC(=O)N1CCc2ccccc2C1)CC(C)(C)C#N ZINC000433305591 377786988 /nfs/dbraw/zinc/78/69/88/377786988.db2.gz OCUUZIIKRBLPNS-UHFFFAOYSA-N 1 2 285.391 2.053 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000433325111 377790056 /nfs/dbraw/zinc/79/00/56/377790056.db2.gz HPHAYIUZHHWOBY-JTQLQIEISA-N 1 2 291.317 2.021 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000433325111 377790060 /nfs/dbraw/zinc/79/00/60/377790060.db2.gz HPHAYIUZHHWOBY-JTQLQIEISA-N 1 2 291.317 2.021 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)nc1 ZINC000567058360 377798420 /nfs/dbraw/zinc/79/84/20/377798420.db2.gz KKMZOGCCAYJFIF-UHFFFAOYSA-N 1 2 257.337 2.098 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCC3)C2)nc1 ZINC000567058360 377798426 /nfs/dbraw/zinc/79/84/26/377798426.db2.gz KKMZOGCCAYJFIF-UHFFFAOYSA-N 1 2 257.337 2.098 20 30 CEEDLO N#C[C@H]1C[N@H+](CC[C@H]2CCOC2)CCN1Cc1ccccc1 ZINC000437592234 377855029 /nfs/dbraw/zinc/85/50/29/377855029.db2.gz QXVDVPGXZDNYNX-ROUUACIJSA-N 1 2 299.418 2.123 20 30 CEEDLO N#C[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCN1Cc1ccccc1 ZINC000437592234 377855036 /nfs/dbraw/zinc/85/50/36/377855036.db2.gz QXVDVPGXZDNYNX-ROUUACIJSA-N 1 2 299.418 2.123 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)o1 ZINC000294114993 377909366 /nfs/dbraw/zinc/90/93/66/377909366.db2.gz SVYAOWZIPGZIKE-LSDHHAIUSA-N 1 2 258.321 2.295 20 30 CEEDLO N#Cc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)o1 ZINC000294114993 377909372 /nfs/dbraw/zinc/90/93/72/377909372.db2.gz SVYAOWZIPGZIKE-LSDHHAIUSA-N 1 2 258.321 2.295 20 30 CEEDLO C=CC(C)(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000294419064 377986258 /nfs/dbraw/zinc/98/62/58/377986258.db2.gz FTCXQTNFDXBDIC-UHFFFAOYSA-N 1 2 257.337 2.471 20 30 CEEDLO C#CCOc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000295183548 378046529 /nfs/dbraw/zinc/04/65/29/378046529.db2.gz WDMOKPKFMBJJPQ-CQSZACIVSA-N 1 2 267.332 2.130 20 30 CEEDLO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CC[S@]1=O ZINC000444637207 378076774 /nfs/dbraw/zinc/07/67/74/378076774.db2.gz IDQKCBNPQMRJCW-YVEFUNNKSA-N 1 2 256.415 2.159 20 30 CEEDLO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[S@]1=O ZINC000444637207 378076781 /nfs/dbraw/zinc/07/67/81/378076781.db2.gz IDQKCBNPQMRJCW-YVEFUNNKSA-N 1 2 256.415 2.159 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OCC ZINC000449655844 378218059 /nfs/dbraw/zinc/21/80/59/378218059.db2.gz HZJQSFADCHBOLS-SRVKXCTJSA-N 1 2 257.399 2.225 20 30 CEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000450143113 378306819 /nfs/dbraw/zinc/30/68/19/378306819.db2.gz MQJCBRDIHCYAQM-CYBMUJFWSA-N 1 2 275.396 2.413 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295966623 378373993 /nfs/dbraw/zinc/37/39/93/378373993.db2.gz SCGKXXJZZRCNJF-CHWSQXEVSA-N 1 2 291.395 2.311 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000266915616 190290350 /nfs/dbraw/zinc/29/03/50/190290350.db2.gz KFAYWQRCJUTLHH-UHFFFAOYSA-N 1 2 285.391 2.180 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000266915616 190290351 /nfs/dbraw/zinc/29/03/51/190290351.db2.gz KFAYWQRCJUTLHH-UHFFFAOYSA-N 1 2 285.391 2.180 20 30 CEEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000267070896 190301307 /nfs/dbraw/zinc/30/13/07/190301307.db2.gz IPRYQGXAZLAESL-UHFFFAOYSA-N 1 2 262.353 2.280 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000525948684 379684646 /nfs/dbraw/zinc/68/46/46/379684646.db2.gz RBMNMLWSHFNJPU-CYBMUJFWSA-N 1 2 283.375 2.173 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000527078304 379727377 /nfs/dbraw/zinc/72/73/77/379727377.db2.gz QKBWYWOHDDNSAI-HNNXBMFYSA-N 1 2 262.353 2.288 20 30 CEEDLO C#CC[N@@H+](CC)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000267999668 190368821 /nfs/dbraw/zinc/36/88/21/190368821.db2.gz MQQLGJBLFFXQQC-ZDUSSCGKSA-N 1 2 278.302 2.025 20 30 CEEDLO C#CC[N@H+](CC)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000267999668 190368822 /nfs/dbraw/zinc/36/88/22/190368822.db2.gz MQQLGJBLFFXQQC-ZDUSSCGKSA-N 1 2 278.302 2.025 20 30 CEEDLO C[C@@H](O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459351944 380062176 /nfs/dbraw/zinc/06/21/76/380062176.db2.gz VFJLGILITQEMHU-LLVKDONJSA-N 1 2 289.335 2.059 20 30 CEEDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459372943 380062380 /nfs/dbraw/zinc/06/23/80/380062380.db2.gz UYSIUEIRPRINAT-DGCLKSJQSA-N 1 2 289.335 2.202 20 30 CEEDLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459372943 380062385 /nfs/dbraw/zinc/06/23/85/380062385.db2.gz UYSIUEIRPRINAT-DGCLKSJQSA-N 1 2 289.335 2.202 20 30 CEEDLO C=C[C@H](CO)Nc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000488037290 380090403 /nfs/dbraw/zinc/09/04/03/380090403.db2.gz UTMUHGBVWIFVOG-CYBMUJFWSA-N 1 2 282.347 2.130 20 30 CEEDLO Cc1c[nH+]cn1CC(=O)[C@@H](C#N)c1nc2c(cccc2C)[nH]1 ZINC000528953341 380145666 /nfs/dbraw/zinc/14/56/66/380145666.db2.gz JFKSIWNCZNXDLN-GFCCVEGCSA-N 1 2 293.330 2.253 20 30 CEEDLO Cc1c[nH+]cn1CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000528953341 380145677 /nfs/dbraw/zinc/14/56/77/380145677.db2.gz JFKSIWNCZNXDLN-GFCCVEGCSA-N 1 2 293.330 2.253 20 30 CEEDLO C#CCCCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000268257358 190390657 /nfs/dbraw/zinc/39/06/57/190390657.db2.gz WHFRTOSOJLUPKX-UHFFFAOYSA-N 1 2 284.363 2.245 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(C#N)CC(C)C1 ZINC000532081554 380211487 /nfs/dbraw/zinc/21/14/87/380211487.db2.gz BARXTDLZQOBJFT-UHFFFAOYSA-N 1 2 274.368 2.095 20 30 CEEDLO C=CC[N@@H+]([C@@H](C)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000541221075 380270997 /nfs/dbraw/zinc/27/09/97/380270997.db2.gz BZVZJJICNNLPPM-GXTWGEPZSA-N 1 2 299.461 2.354 20 30 CEEDLO C=CC[N@H+]([C@@H](C)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000541221075 380271000 /nfs/dbraw/zinc/27/10/00/380271000.db2.gz BZVZJJICNNLPPM-GXTWGEPZSA-N 1 2 299.461 2.354 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000491363070 380311431 /nfs/dbraw/zinc/31/14/31/380311431.db2.gz XJQALXKDCRXCMU-YDHLFZDLSA-N 1 2 256.349 2.117 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000491363070 380311442 /nfs/dbraw/zinc/31/14/42/380311442.db2.gz XJQALXKDCRXCMU-YDHLFZDLSA-N 1 2 256.349 2.117 20 30 CEEDLO Cc1cc(C#N)cnc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000551062691 380635747 /nfs/dbraw/zinc/63/57/47/380635747.db2.gz YCTKBSGNDBBLQI-UHFFFAOYSA-N 1 2 297.362 2.044 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cnn(C)c1 ZINC000348313005 218568894 /nfs/dbraw/zinc/56/88/94/218568894.db2.gz FLDMQQIQFGBRRS-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/Sc1ccccc1 ZINC000493552406 381053196 /nfs/dbraw/zinc/05/31/96/381053196.db2.gz KRZKPFXAWKHWPG-FEAKQIBJSA-N 1 2 289.404 2.252 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\C1CCCCC1 ZINC000493578194 381065780 /nfs/dbraw/zinc/06/57/80/381065780.db2.gz GIPQAJVPSLELFD-FJVVXJACSA-N 1 2 263.385 2.083 20 30 CEEDLO C[C@@H]1C[N@H+](CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493982466 381151035 /nfs/dbraw/zinc/15/10/35/381151035.db2.gz SATMKXWJEMFVGI-VXGBXAGGSA-N 1 2 267.373 2.135 20 30 CEEDLO C[C@@H]1C[N@@H+](CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493982466 381151039 /nfs/dbraw/zinc/15/10/39/381151039.db2.gz SATMKXWJEMFVGI-VXGBXAGGSA-N 1 2 267.373 2.135 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CN(C)C(=O)O1 ZINC000495592741 381177888 /nfs/dbraw/zinc/17/78/88/381177888.db2.gz ITWDPFWBKFDMSI-CYBMUJFWSA-N 1 2 278.327 2.264 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CN(C)C(=O)O1 ZINC000495592741 381177897 /nfs/dbraw/zinc/17/78/97/381177897.db2.gz ITWDPFWBKFDMSI-CYBMUJFWSA-N 1 2 278.327 2.264 20 30 CEEDLO CN(C[C@@H]1CC[N@@H+](C(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000496671591 381223655 /nfs/dbraw/zinc/22/36/55/381223655.db2.gz HXFJFUHUQRGCTO-LBPRGKRZSA-N 1 2 281.400 2.477 20 30 CEEDLO CN(C[C@@H]1CC[N@H+](C(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000496671591 381223662 /nfs/dbraw/zinc/22/36/62/381223662.db2.gz HXFJFUHUQRGCTO-LBPRGKRZSA-N 1 2 281.400 2.477 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000496809981 381227221 /nfs/dbraw/zinc/22/72/21/381227221.db2.gz OMJMZJZWKIRCMN-GFCCVEGCSA-N 1 2 267.373 2.301 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000496809981 381227233 /nfs/dbraw/zinc/22/72/33/381227233.db2.gz OMJMZJZWKIRCMN-GFCCVEGCSA-N 1 2 267.373 2.301 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000335306643 208155529 /nfs/dbraw/zinc/15/55/29/208155529.db2.gz DCFXLBRKGWISIH-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000335306643 208155534 /nfs/dbraw/zinc/15/55/34/208155534.db2.gz DCFXLBRKGWISIH-OAHLLOKOSA-N 1 2 260.312 2.308 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000192233865 533113153 /nfs/dbraw/zinc/11/31/53/533113153.db2.gz VYFQJYYGNQNSLY-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000192233865 533113159 /nfs/dbraw/zinc/11/31/59/533113159.db2.gz VYFQJYYGNQNSLY-SNVBAGLBSA-N 1 2 250.729 2.232 20 30 CEEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(F)(C#N)CC2)[C@H]1C ZINC000352492014 296435200 /nfs/dbraw/zinc/43/52/00/296435200.db2.gz UTFJOHWLRICNHQ-HZSPNIEDSA-N 1 2 295.402 2.255 20 30 CEEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000281669127 195329020 /nfs/dbraw/zinc/32/90/20/195329020.db2.gz LJYSLJRPLHBZAJ-ZYHUDNBSSA-N 1 2 293.392 2.058 20 30 CEEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000281669127 195329021 /nfs/dbraw/zinc/32/90/21/195329021.db2.gz LJYSLJRPLHBZAJ-ZYHUDNBSSA-N 1 2 293.392 2.058 20 30 CEEDLO COCCOc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000352095746 533265122 /nfs/dbraw/zinc/26/51/22/533265122.db2.gz AIBHGNFKGPWFSG-CYBMUJFWSA-N 1 2 262.353 2.303 20 30 CEEDLO COCCOc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000352095746 533265127 /nfs/dbraw/zinc/26/51/27/533265127.db2.gz AIBHGNFKGPWFSG-CYBMUJFWSA-N 1 2 262.353 2.303 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnnn1C1CC1 ZINC000190517268 130114728 /nfs/dbraw/zinc/11/47/28/130114728.db2.gz VDCSBMQXIUSCRC-GHMZBOCLSA-N 1 2 282.351 2.291 20 30 CEEDLO C[C@@H]1COCC[N@@H+]1CCSc1ccccc1C#N ZINC000413002437 394458155 /nfs/dbraw/zinc/45/81/55/394458155.db2.gz UKLDTELVZIKNDJ-GFCCVEGCSA-N 1 2 262.378 2.371 20 30 CEEDLO C[C@@H]1COCC[N@H+]1CCSc1ccccc1C#N ZINC000413002437 394458159 /nfs/dbraw/zinc/45/81/59/394458159.db2.gz UKLDTELVZIKNDJ-GFCCVEGCSA-N 1 2 262.378 2.371 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(CC#N)C1CC1 ZINC000355653290 394489860 /nfs/dbraw/zinc/48/98/60/394489860.db2.gz KLPYIIRDLRLZTO-UHFFFAOYSA-N 1 2 282.347 2.249 20 30 CEEDLO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328957534 394557752 /nfs/dbraw/zinc/55/77/52/394557752.db2.gz ZSVWNPGXUCHHON-MAZHCROVSA-N 1 2 297.358 2.060 20 30 CEEDLO Cc1cc(CNC(=O)c2cc(C)c(C#N)cn2)cc(C)[nH+]1 ZINC000421575528 394554994 /nfs/dbraw/zinc/55/49/94/394554994.db2.gz AEPZULGRHNOPCH-UHFFFAOYSA-N 1 2 280.331 2.204 20 30 CEEDLO Cc1nc(C2(NC(=O)CCc3[nH]cc[nH+]3)CCCC2)no1 ZINC000329891402 394592249 /nfs/dbraw/zinc/59/22/49/394592249.db2.gz HUQMGBDVHJQPLU-UHFFFAOYSA-N 1 2 289.339 2.460 20 30 CEEDLO CCCCCCCCOCC(=O)NCc1[nH+]ccn1C ZINC000265947037 394657370 /nfs/dbraw/zinc/65/73/70/394657370.db2.gz LASSGTMWIURQGP-UHFFFAOYSA-N 1 2 281.400 2.413 20 30 CEEDLO N#CCC1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000334220300 394665500 /nfs/dbraw/zinc/66/55/00/394665500.db2.gz RIYMZHMEYRYCRV-UHFFFAOYSA-N 1 2 297.362 2.170 20 30 CEEDLO CC(C)c1[nH]ccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330617879 394621866 /nfs/dbraw/zinc/62/18/66/394621866.db2.gz XLSWJUOUBSJLAD-GFCCVEGCSA-N 1 2 279.384 2.163 20 30 CEEDLO CC(C)c1[nH]ccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330617879 394621868 /nfs/dbraw/zinc/62/18/68/394621868.db2.gz XLSWJUOUBSJLAD-GFCCVEGCSA-N 1 2 279.384 2.163 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000335060114 394732569 /nfs/dbraw/zinc/73/25/69/394732569.db2.gz UHWZEOBQNMNQBP-UHFFFAOYSA-N 1 2 269.304 2.402 20 30 CEEDLO CC(C)[N@H+](CC(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000269019088 394708952 /nfs/dbraw/zinc/70/89/52/394708952.db2.gz YIVKTEQQOPVGDH-CYBMUJFWSA-N 1 2 298.333 2.273 20 30 CEEDLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000269019088 394708955 /nfs/dbraw/zinc/70/89/55/394708955.db2.gz YIVKTEQQOPVGDH-CYBMUJFWSA-N 1 2 298.333 2.273 20 30 CEEDLO CCCOC(=O)CC/[NH+]=C/c1cccc(OC)c1O ZINC000106586470 394725717 /nfs/dbraw/zinc/72/57/17/394725717.db2.gz QYOBPUYBODTJOK-XNTDXEJSSA-N 1 2 265.309 2.163 20 30 CEEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](C)C#N ZINC000335682543 394787966 /nfs/dbraw/zinc/78/79/66/394787966.db2.gz XESLABFUBIZZBD-JTQLQIEISA-N 1 2 254.293 2.483 20 30 CEEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1 ZINC000273971314 394789885 /nfs/dbraw/zinc/78/98/85/394789885.db2.gz VJGQEGZZIGWZBR-CQSZACIVSA-N 1 2 296.330 2.144 20 30 CEEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1 ZINC000273971314 394789886 /nfs/dbraw/zinc/78/98/86/394789886.db2.gz VJGQEGZZIGWZBR-CQSZACIVSA-N 1 2 296.330 2.144 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000362370489 394856371 /nfs/dbraw/zinc/85/63/71/394856371.db2.gz LLOKPABVSXEJTD-ZDUSSCGKSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CC[C@H](CC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000281834354 394859242 /nfs/dbraw/zinc/85/92/42/394859242.db2.gz KAZOTMHAGDPNFN-ZDUSSCGKSA-N 1 2 272.352 2.488 20 30 CEEDLO C=CCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000284759040 394949872 /nfs/dbraw/zinc/94/98/72/394949872.db2.gz GAQQBKARMHOQNZ-NEPJUHHUSA-N 1 2 262.357 2.020 20 30 CEEDLO C=CCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc(C2CC2)[nH]1 ZINC000284759040 394949875 /nfs/dbraw/zinc/94/98/75/394949875.db2.gz GAQQBKARMHOQNZ-NEPJUHHUSA-N 1 2 262.357 2.020 20 30 CEEDLO C[C@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000369456827 394998938 /nfs/dbraw/zinc/99/89/38/394998938.db2.gz HCHQKSKRWJGKMK-PBHICJAKSA-N 1 2 269.392 2.462 20 30 CEEDLO C[C@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000369456827 394998939 /nfs/dbraw/zinc/99/89/39/394998939.db2.gz HCHQKSKRWJGKMK-PBHICJAKSA-N 1 2 269.392 2.462 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000370985765 395022836 /nfs/dbraw/zinc/02/28/36/395022836.db2.gz PAOMRDVOWGOADK-HNNXBMFYSA-N 1 2 255.296 2.270 20 30 CEEDLO C#CC[N@H+](C)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000370985765 395022839 /nfs/dbraw/zinc/02/28/39/395022839.db2.gz PAOMRDVOWGOADK-HNNXBMFYSA-N 1 2 255.296 2.270 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000339760757 394970953 /nfs/dbraw/zinc/97/09/53/394970953.db2.gz MMPAUSJWBCERDP-UHFFFAOYSA-N 1 2 290.432 2.240 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000339760757 394970959 /nfs/dbraw/zinc/97/09/59/394970959.db2.gz MMPAUSJWBCERDP-UHFFFAOYSA-N 1 2 290.432 2.240 20 30 CEEDLO C=C(C)COCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000151526601 394977516 /nfs/dbraw/zinc/97/75/16/394977516.db2.gz UGJXROVMNMLXCS-CYBMUJFWSA-N 1 2 292.383 2.239 20 30 CEEDLO C#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(C)(C)C ZINC000288249932 395055813 /nfs/dbraw/zinc/05/58/13/395055813.db2.gz OYPPZLFKCIGEJR-CYBMUJFWSA-N 1 2 269.348 2.041 20 30 CEEDLO C#Cc1ccc(C[NH2+]Cc2nnc(CC)s2)cc1 ZINC000290369657 395101160 /nfs/dbraw/zinc/10/11/60/395101160.db2.gz AMPGIQNREBVQQZ-UHFFFAOYSA-N 1 2 257.362 2.372 20 30 CEEDLO C#C[C@@H](C)[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000289362975 395075419 /nfs/dbraw/zinc/07/54/19/395075419.db2.gz KQGMROKATXBPFT-SNVBAGLBSA-N 1 2 285.796 2.245 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000374160378 395076019 /nfs/dbraw/zinc/07/60/19/395076019.db2.gz KQHADBZAIQUTQW-LSDHHAIUSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2c2ccccc2F)C1=O ZINC000374160378 395076024 /nfs/dbraw/zinc/07/60/24/395076024.db2.gz KQHADBZAIQUTQW-LSDHHAIUSA-N 1 2 274.339 2.359 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)CCc1nc2ccccc2n1C ZINC000345954309 395084017 /nfs/dbraw/zinc/08/40/17/395084017.db2.gz NGBPJHVLSYFOTM-LBPRGKRZSA-N 1 2 256.353 2.350 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)CCc1nc2ccccc2n1C ZINC000345954309 395084021 /nfs/dbraw/zinc/08/40/21/395084021.db2.gz NGBPJHVLSYFOTM-LBPRGKRZSA-N 1 2 256.353 2.350 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000174224462 395121251 /nfs/dbraw/zinc/12/12/51/395121251.db2.gz HRXHXGAZNBWTPZ-NSHDSACASA-N 1 2 295.339 2.445 20 30 CEEDLO Cc1nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)cs1 ZINC000174221589 395121480 /nfs/dbraw/zinc/12/14/80/395121480.db2.gz SOFBUOZJJDIVNT-VIFPVBQESA-N 1 2 271.386 2.301 20 30 CEEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccon1 ZINC000349242728 395162500 /nfs/dbraw/zinc/16/25/00/395162500.db2.gz OZBDFLILHQDSQQ-ZDUSSCGKSA-N 1 2 298.346 2.272 20 30 CEEDLO COc1cc[nH+]cc1CNc1c(C#N)cccc1C#N ZINC000431486722 395168366 /nfs/dbraw/zinc/16/83/66/395168366.db2.gz LUHONSOVJIYISR-UHFFFAOYSA-N 1 2 264.288 2.446 20 30 CEEDLO CC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178784700 395173883 /nfs/dbraw/zinc/17/38/83/395173883.db2.gz HOALKQIFNMJHNU-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO CC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000178784700 395173886 /nfs/dbraw/zinc/17/38/86/395173886.db2.gz HOALKQIFNMJHNU-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182458343 395242721 /nfs/dbraw/zinc/24/27/21/395242721.db2.gz JFIOYEFQZKFDJI-JTQLQIEISA-N 1 2 272.304 2.233 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182458343 395242724 /nfs/dbraw/zinc/24/27/24/395242724.db2.gz JFIOYEFQZKFDJI-JTQLQIEISA-N 1 2 272.304 2.233 20 30 CEEDLO Cc1nc(C)c(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000399517529 395246334 /nfs/dbraw/zinc/24/63/34/395246334.db2.gz PFBABWIBGRVQCR-UHFFFAOYSA-N 1 2 258.350 2.369 20 30 CEEDLO Cc1cc(N2CCC[C@H](CCO)CC2)c(C#N)c[nH+]1 ZINC000516763078 395183994 /nfs/dbraw/zinc/18/39/94/395183994.db2.gz CQJRDGDCDOXAKD-ZDUSSCGKSA-N 1 2 259.353 2.251 20 30 CEEDLO C=C(C)CC[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000352401215 395250129 /nfs/dbraw/zinc/25/01/29/395250129.db2.gz HHXJWKBBGUCFTJ-IUODEOHRSA-N 1 2 269.385 2.289 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000516948490 395185187 /nfs/dbraw/zinc/18/51/87/395185187.db2.gz JCNPGXHFFADFHR-UKRRQHHQSA-N 1 2 289.379 2.223 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@@H](C)C#N ZINC000350946213 395189549 /nfs/dbraw/zinc/18/95/49/395189549.db2.gz BHAZERKXVSKFLA-LBPRGKRZSA-N 1 2 284.363 2.353 20 30 CEEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cc2ccccc2o1 ZINC000519699901 395209911 /nfs/dbraw/zinc/20/99/11/395209911.db2.gz HSUSAHDBSIUGRN-YVEFUNNKSA-N 1 2 299.374 2.496 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000293181997 395224251 /nfs/dbraw/zinc/22/42/51/395224251.db2.gz PTGAOFLIDRYIPC-NSHDSACASA-N 1 2 256.309 2.148 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000293181997 395224253 /nfs/dbraw/zinc/22/42/53/395224253.db2.gz PTGAOFLIDRYIPC-NSHDSACASA-N 1 2 256.309 2.148 20 30 CEEDLO C/C(Cl)=C/C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000528402579 395289971 /nfs/dbraw/zinc/28/99/71/395289971.db2.gz HFEHAMYVSUHBHS-LCKPPEIMSA-N 1 2 291.786 2.001 20 30 CEEDLO C/C(Cl)=C/C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000528402579 395289976 /nfs/dbraw/zinc/28/99/76/395289976.db2.gz HFEHAMYVSUHBHS-LCKPPEIMSA-N 1 2 291.786 2.001 20 30 CEEDLO COc1cc(C[NH2+][C@H](C)c2ccon2)ccc1C#N ZINC000440619012 395336007 /nfs/dbraw/zinc/33/60/07/395336007.db2.gz ZXEGMXWSXIETSI-SNVBAGLBSA-N 1 2 257.293 2.406 20 30 CEEDLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000534299742 395463150 /nfs/dbraw/zinc/46/31/50/395463150.db2.gz BIJFTPLENJQAGH-CYBMUJFWSA-N 1 2 295.342 2.398 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000568198215 395550534 /nfs/dbraw/zinc/55/05/34/395550534.db2.gz WMKNWXKIULMPFJ-SMDDNHRTSA-N 1 2 274.368 2.177 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000568198215 395550537 /nfs/dbraw/zinc/55/05/37/395550537.db2.gz WMKNWXKIULMPFJ-SMDDNHRTSA-N 1 2 274.368 2.177 20 30 CEEDLO C=CCC[C@H]([NH2+]CC1(SC)CC1)C(=O)OCC ZINC000449651778 395559093 /nfs/dbraw/zinc/55/90/93/395559093.db2.gz AALXSTOUQYEFCQ-NSHDSACASA-N 1 2 257.399 2.370 20 30 CEEDLO N#Cc1ccnc(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000450443049 395571670 /nfs/dbraw/zinc/57/16/70/395571670.db2.gz UUVJBHARAFQXJO-UHFFFAOYSA-N 1 2 296.378 2.242 20 30 CEEDLO CC(C)n1ccnc1C[N@@H+]1CCCN(C(C)(C)C#N)CC1 ZINC000570658665 395583073 /nfs/dbraw/zinc/58/30/73/395583073.db2.gz UCKFYEWDEJCRNI-UHFFFAOYSA-N 1 2 289.427 2.274 20 30 CEEDLO CC(C)n1ccnc1C[N@H+]1CCCN(C(C)(C)C#N)CC1 ZINC000570658665 395583074 /nfs/dbraw/zinc/58/30/74/395583074.db2.gz UCKFYEWDEJCRNI-UHFFFAOYSA-N 1 2 289.427 2.274 20 30 CEEDLO CSCC[C@H]([NH2+]CCC#N)c1nnc2ccccn21 ZINC000570837622 395583807 /nfs/dbraw/zinc/58/38/07/395583807.db2.gz VJXSCNWYXBZASN-NSHDSACASA-N 1 2 275.381 2.027 20 30 CEEDLO Cn1cccc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459621286 395666541 /nfs/dbraw/zinc/66/65/41/395666541.db2.gz WMFCLNQRIYJKPY-UHFFFAOYSA-N 1 2 267.332 2.160 20 30 CEEDLO C#C[C@@H](NCc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1 ZINC000491415138 395669477 /nfs/dbraw/zinc/66/94/77/395669477.db2.gz GRRMAISWFYNWAO-OAHLLOKOSA-N 1 2 286.354 2.089 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000649192033 396087787 /nfs/dbraw/zinc/08/77/87/396087787.db2.gz SJZHGZWJCYUOHW-ZDUSSCGKSA-N 1 2 291.395 2.228 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000649192033 396087792 /nfs/dbraw/zinc/08/77/92/396087792.db2.gz SJZHGZWJCYUOHW-ZDUSSCGKSA-N 1 2 291.395 2.228 20 30 CEEDLO C=C(C)[C@@H](CO)[NH+]1CCN(Cc2ccc(CC)s2)CC1 ZINC000649318992 396120289 /nfs/dbraw/zinc/12/02/89/396120289.db2.gz KXVAORZHWXGVDS-MRXNPFEDSA-N 1 2 294.464 2.365 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000649353992 396126944 /nfs/dbraw/zinc/12/69/44/396126944.db2.gz URPRFUVQTLZWRL-CVEARBPZSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000649353992 396126945 /nfs/dbraw/zinc/12/69/45/396126945.db2.gz URPRFUVQTLZWRL-CVEARBPZSA-N 1 2 277.364 2.006 20 30 CEEDLO C=C[C@@H](O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000646626070 396363929 /nfs/dbraw/zinc/36/39/29/396363929.db2.gz NZRDLRHGKINGGJ-CQSZACIVSA-N 1 2 285.347 2.248 20 30 CEEDLO N#CCC[N@@H+](CCCCCCO)Cc1ccccn1 ZINC000175778662 400288481 /nfs/dbraw/zinc/28/84/81/400288481.db2.gz YQJNZNMDWXBMOZ-UHFFFAOYSA-N 1 2 261.369 2.350 20 30 CEEDLO N#CCC[N@H+](CCCCCCO)Cc1ccccn1 ZINC000175778662 400288483 /nfs/dbraw/zinc/28/84/83/400288483.db2.gz YQJNZNMDWXBMOZ-UHFFFAOYSA-N 1 2 261.369 2.350 20 30 CEEDLO C[C@H](C(=O)NCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000360000631 155187025 /nfs/dbraw/zinc/18/70/25/155187025.db2.gz LPZNYTBVMYKLCU-ZDUSSCGKSA-N 1 2 294.358 2.285 20 30 CEEDLO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000087833083 286309245 /nfs/dbraw/zinc/30/92/45/286309245.db2.gz CTCJQQUAZUZFNL-RYUDHWBXSA-N 1 2 260.337 2.176 20 30 CEEDLO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000191326338 153167779 /nfs/dbraw/zinc/16/77/79/153167779.db2.gz RPFCWPVWAQHALY-AWEZNQCLSA-N 1 2 289.379 2.203 20 30 CEEDLO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1C#N ZINC000191326338 153167786 /nfs/dbraw/zinc/16/77/86/153167786.db2.gz RPFCWPVWAQHALY-AWEZNQCLSA-N 1 2 289.379 2.203 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000194310339 153252564 /nfs/dbraw/zinc/25/25/64/153252564.db2.gz MNWYOELVWRAPMR-HOTGVXAUSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000194310339 153252571 /nfs/dbraw/zinc/25/25/71/153252571.db2.gz MNWYOELVWRAPMR-HOTGVXAUSA-N 1 2 299.374 2.140 20 30 CEEDLO Cc1nc([C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311189 154221182 /nfs/dbraw/zinc/22/11/82/154221182.db2.gz LYKMUXDHNJOGPM-ABAIWWIYSA-N 1 2 298.346 2.384 20 30 CEEDLO Cc1nc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311189 154221189 /nfs/dbraw/zinc/22/11/89/154221189.db2.gz LYKMUXDHNJOGPM-ABAIWWIYSA-N 1 2 298.346 2.384 20 30 CEEDLO N#Cc1cccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000357102539 154376059 /nfs/dbraw/zinc/37/60/59/154376059.db2.gz PQRNNAQXZWIGFR-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375002517 157034929 /nfs/dbraw/zinc/03/49/29/157034929.db2.gz CRQQKNDGRLAVLT-AWEZNQCLSA-N 1 2 282.347 2.497 20 30 CEEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375002517 157034933 /nfs/dbraw/zinc/03/49/33/157034933.db2.gz CRQQKNDGRLAVLT-AWEZNQCLSA-N 1 2 282.347 2.497 20 30 CEEDLO Cc1oncc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000375352167 157083508 /nfs/dbraw/zinc/08/35/08/157083508.db2.gz HWIGBKMBVXIKQD-INIZCTEOSA-N 1 2 283.331 2.428 20 30 CEEDLO Cc1oncc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000375352167 157083511 /nfs/dbraw/zinc/08/35/11/157083511.db2.gz HWIGBKMBVXIKQD-INIZCTEOSA-N 1 2 283.331 2.428 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C#N)cc(C)n1)CCC2 ZINC000376403090 157219236 /nfs/dbraw/zinc/21/92/36/157219236.db2.gz MAJFVDXUZDRTAZ-AWEZNQCLSA-N 1 2 281.363 2.178 20 30 CEEDLO N#Cc1ccnc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000376445913 157226061 /nfs/dbraw/zinc/22/60/61/157226061.db2.gz DUTZBBNTXXWJPJ-CQSZACIVSA-N 1 2 279.347 2.429 20 30 CEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000301137495 287155567 /nfs/dbraw/zinc/15/55/67/287155567.db2.gz CMCXRAGFGOALGY-AWEZNQCLSA-N 1 2 293.374 2.231 20 30 CEEDLO C=C(C)[C@@H](CO)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653911905 414789173 /nfs/dbraw/zinc/78/91/73/414789173.db2.gz LYARRWILXAXGEU-LSDHHAIUSA-N 1 2 272.348 2.485 20 30 CEEDLO C=C(C[NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1 ZINC000657334279 414865739 /nfs/dbraw/zinc/86/57/39/414865739.db2.gz UBWCCPJQMLZEKR-UHFFFAOYSA-N 1 2 271.368 2.231 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCc3ccc(OC)cc3C2)nn1 ZINC000653507096 415019315 /nfs/dbraw/zinc/01/93/15/415019315.db2.gz YEDIXPYVQZFABX-UHFFFAOYSA-N 1 2 298.390 2.421 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCc3ccc(OC)cc3C2)nn1 ZINC000653507096 415019317 /nfs/dbraw/zinc/01/93/17/415019317.db2.gz YEDIXPYVQZFABX-UHFFFAOYSA-N 1 2 298.390 2.421 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)nn1 ZINC000653611065 415053395 /nfs/dbraw/zinc/05/33/95/415053395.db2.gz HGCJQJWXGKENIL-GFCCVEGCSA-N 1 2 286.326 2.058 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)nn1 ZINC000653611065 415053398 /nfs/dbraw/zinc/05/33/98/415053398.db2.gz HGCJQJWXGKENIL-GFCCVEGCSA-N 1 2 286.326 2.058 20 30 CEEDLO C=CC[N@H+](Cc1ncnn1C(C)(C)C)[C@H](C)COC ZINC000661240616 415152488 /nfs/dbraw/zinc/15/24/88/415152488.db2.gz PBPILJIONVLJIY-GFCCVEGCSA-N 1 2 266.389 2.056 20 30 CEEDLO C=CC[N@@H+](Cc1ncnn1C(C)(C)C)[C@H](C)COC ZINC000661240616 415152497 /nfs/dbraw/zinc/15/24/97/415152497.db2.gz PBPILJIONVLJIY-GFCCVEGCSA-N 1 2 266.389 2.056 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CCC)no1)[C@H](C)COC ZINC000661248741 415158100 /nfs/dbraw/zinc/15/81/00/415158100.db2.gz WYHASBZBZAYOGY-LLVKDONJSA-N 1 2 253.346 2.045 20 30 CEEDLO C=CC[N@H+](Cc1nc(CCC)no1)[C@H](C)COC ZINC000661248741 415158110 /nfs/dbraw/zinc/15/81/10/415158110.db2.gz WYHASBZBZAYOGY-LLVKDONJSA-N 1 2 253.346 2.045 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@@H](CC)OC[C@H]2CC)nn1 ZINC000653778785 415102199 /nfs/dbraw/zinc/10/21/99/415102199.db2.gz MVTJOEFHWMXUGO-HUUCEWRRSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](CC)OC[C@H]2CC)nn1 ZINC000653778785 415102202 /nfs/dbraw/zinc/10/22/02/415102202.db2.gz MVTJOEFHWMXUGO-HUUCEWRRSA-N 1 2 278.400 2.244 20 30 CEEDLO C[N@@H+]1CCN(C(=O)C(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000044752401 175245695 /nfs/dbraw/zinc/24/56/95/175245695.db2.gz AELJVUJLZBACBF-AWEZNQCLSA-N 1 2 271.364 2.051 20 30 CEEDLO C[N@H+]1CCN(C(=O)C(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000044752401 175245697 /nfs/dbraw/zinc/24/56/97/175245697.db2.gz AELJVUJLZBACBF-AWEZNQCLSA-N 1 2 271.364 2.051 20 30 CEEDLO CCc1nnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000046518386 175397718 /nfs/dbraw/zinc/39/77/18/175397718.db2.gz IUCRPKPHMCVEJW-UHFFFAOYSA-N 1 2 256.309 2.136 20 30 CEEDLO CCc1nnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000046518386 175397719 /nfs/dbraw/zinc/39/77/19/175397719.db2.gz IUCRPKPHMCVEJW-UHFFFAOYSA-N 1 2 256.309 2.136 20 30 CEEDLO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COC)[nH]1 ZINC000658156339 415235761 /nfs/dbraw/zinc/23/57/61/415235761.db2.gz IMRPVRRJPJBBQA-RYUDHWBXSA-N 1 2 264.373 2.176 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661659572 415388449 /nfs/dbraw/zinc/38/84/49/415388449.db2.gz BGOVGTCXQUNRKR-CQSZACIVSA-N 1 2 292.354 2.273 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661659572 415388455 /nfs/dbraw/zinc/38/84/55/415388455.db2.gz BGOVGTCXQUNRKR-CQSZACIVSA-N 1 2 292.354 2.273 20 30 CEEDLO C=CCC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655794335 415472851 /nfs/dbraw/zinc/47/28/51/415472851.db2.gz MFZMLNHGJUEWNA-MNOVXSKESA-N 1 2 250.346 2.101 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CC(F)(F)c2ccccc2)nn1 ZINC000656458023 415714982 /nfs/dbraw/zinc/71/49/82/415714982.db2.gz XEXUZHMVNWFTQR-UHFFFAOYSA-N 1 2 290.317 2.183 20 30 CEEDLO C=CCc1ccc(OC[C@H](O)Cn2cc[nH+]c2)c(OC)c1 ZINC000072112800 176317878 /nfs/dbraw/zinc/31/78/78/176317878.db2.gz KMTLNWCKMWNRPS-CQSZACIVSA-N 1 2 288.347 2.060 20 30 CEEDLO C[C@H](N(C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1(C)CC1 ZINC000330276008 228089622 /nfs/dbraw/zinc/08/96/22/228089622.db2.gz MHKFKFAFBZSQKR-NWDGAFQWSA-N 1 2 276.384 2.232 20 30 CEEDLO N#CC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000330282362 228092715 /nfs/dbraw/zinc/09/27/15/228092715.db2.gz VHZAGLWHMKFFBI-UHFFFAOYSA-N 1 2 281.363 2.062 20 30 CEEDLO Cn1ccnc1[C@H]([NH2+]CCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000353674073 228143190 /nfs/dbraw/zinc/14/31/90/228143190.db2.gz RPGQEFJEBVOFIY-CQSZACIVSA-N 1 2 299.334 2.311 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000332167622 228151235 /nfs/dbraw/zinc/15/12/35/228151235.db2.gz KHYMWTNRHQZQBO-WFASDCNBSA-N 1 2 267.336 2.049 20 30 CEEDLO C#C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000298024123 260141464 /nfs/dbraw/zinc/14/14/64/260141464.db2.gz PZWCDCCDFNKPQM-KKUMJFAQSA-N 1 2 288.395 2.133 20 30 CEEDLO C=CCC(C)(C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000299050108 260171501 /nfs/dbraw/zinc/17/15/01/260171501.db2.gz UOBSSGRXUPNEJB-NSHDSACASA-N 1 2 264.373 2.284 20 30 CEEDLO C=CCC(C)(C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000299050108 260171503 /nfs/dbraw/zinc/17/15/03/260171503.db2.gz UOBSSGRXUPNEJB-NSHDSACASA-N 1 2 264.373 2.284 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000517583101 260195329 /nfs/dbraw/zinc/19/53/29/260195329.db2.gz HKEQYHDNRDCGII-MNOVXSKESA-N 1 2 289.335 2.024 20 30 CEEDLO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](C)C#N)c1O ZINC000050144403 260206596 /nfs/dbraw/zinc/20/65/96/260206596.db2.gz DTUSTDBMLLVKAB-VIFPVBQESA-N 1 2 264.300 2.325 20 30 CEEDLO CCc1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)no1 ZINC000067099992 260250649 /nfs/dbraw/zinc/25/06/49/260250649.db2.gz SHRZLELYVIVIOQ-UHFFFAOYSA-N 1 2 294.742 2.317 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCCC(C)C)cc1OC ZINC000085260625 260371866 /nfs/dbraw/zinc/37/18/66/260371866.db2.gz ZIJGEZWZIDTODP-UHFFFAOYSA-N 1 2 266.341 2.387 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)OC ZINC000361115868 261163165 /nfs/dbraw/zinc/16/31/65/261163165.db2.gz YRWLOKCLGMSSNX-FQUUOJAGSA-N 1 2 269.385 2.145 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C(C)=O)cc1 ZINC000490937228 261256442 /nfs/dbraw/zinc/25/64/42/261256442.db2.gz SPPYNYNQQINITN-MRXNPFEDSA-N 1 2 285.343 2.144 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C(C)=O)cc1 ZINC000490937228 261256444 /nfs/dbraw/zinc/25/64/44/261256444.db2.gz SPPYNYNQQINITN-MRXNPFEDSA-N 1 2 285.343 2.144 20 30 CEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000007017607 261287395 /nfs/dbraw/zinc/28/73/95/261287395.db2.gz QLGOTVMLGGFIAW-INIZCTEOSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1F ZINC000007017607 261287397 /nfs/dbraw/zinc/28/73/97/261287397.db2.gz QLGOTVMLGGFIAW-INIZCTEOSA-N 1 2 289.354 2.066 20 30 CEEDLO Cn1cc(-c2cc(C[N@H+](CCC#N)CC3CC3)on2)cn1 ZINC000185017151 262038213 /nfs/dbraw/zinc/03/82/13/262038213.db2.gz LPIYTUXMLOWMBH-UHFFFAOYSA-N 1 2 285.351 2.201 20 30 CEEDLO Cn1cc(-c2cc(C[N@@H+](CCC#N)CC3CC3)on2)cn1 ZINC000185017151 262038214 /nfs/dbraw/zinc/03/82/14/262038214.db2.gz LPIYTUXMLOWMBH-UHFFFAOYSA-N 1 2 285.351 2.201 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185473687 262055816 /nfs/dbraw/zinc/05/58/16/262055816.db2.gz OPGCVYKRMCRTMX-HNNXBMFYSA-N 1 2 283.375 2.414 20 30 CEEDLO CSCCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186832102 262112483 /nfs/dbraw/zinc/11/24/83/262112483.db2.gz GWHXEONRSXPKCS-UHFFFAOYSA-N 1 2 272.345 2.246 20 30 CEEDLO COC(C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OC ZINC000364579517 262255513 /nfs/dbraw/zinc/25/55/13/262255513.db2.gz MXXYPDKFAKUQQC-LSDHHAIUSA-N 1 2 274.364 2.377 20 30 CEEDLO COC(C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OC ZINC000364579517 262255514 /nfs/dbraw/zinc/25/55/14/262255514.db2.gz MXXYPDKFAKUQQC-LSDHHAIUSA-N 1 2 274.364 2.377 20 30 CEEDLO Cc1nc(CC(N)=[NH+]OCc2ccc(F)cn2)cs1 ZINC000276053414 263034841 /nfs/dbraw/zinc/03/48/41/263034841.db2.gz JCNZINPUAWPNTN-UHFFFAOYSA-N 1 2 280.328 2.017 20 30 CEEDLO CC1(C#N)CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277979747 263044948 /nfs/dbraw/zinc/04/49/48/263044948.db2.gz ZKCMIFIOJHGQOO-UHFFFAOYSA-N 1 2 271.368 2.207 20 30 CEEDLO CC1(C#N)CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000277979747 263044949 /nfs/dbraw/zinc/04/49/49/263044949.db2.gz ZKCMIFIOJHGQOO-UHFFFAOYSA-N 1 2 271.368 2.207 20 30 CEEDLO C=C(C)[C@H]1OCC[C@@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000281760346 263071652 /nfs/dbraw/zinc/07/16/52/263071652.db2.gz KFHZZDDPTQCSJS-QASJFLCBSA-N 1 2 277.320 2.204 20 30 CEEDLO NC(=[NH+]OCCCOCc1ccccc1)[C@@H]1CCCO1 ZINC000284373560 263086572 /nfs/dbraw/zinc/08/65/72/263086572.db2.gz LPCIDPBZDCZVMQ-AWEZNQCLSA-N 1 2 278.352 2.061 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000284835817 263088168 /nfs/dbraw/zinc/08/81/68/263088168.db2.gz BOGMVRGXRSXHHR-INIZCTEOSA-N 1 2 284.363 2.401 20 30 CEEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OCCCCF ZINC000285183159 263090943 /nfs/dbraw/zinc/09/09/43/263090943.db2.gz NRHLZDNIMJCMRP-UHFFFAOYSA-N 1 2 276.258 2.382 20 30 CEEDLO NC(COc1cccc(F)c1)=[NH+]OCCOC1CCC1 ZINC000288568756 263104805 /nfs/dbraw/zinc/10/48/05/263104805.db2.gz KBRYTLPQAYDTKV-UHFFFAOYSA-N 1 2 282.315 2.062 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000292162602 263129116 /nfs/dbraw/zinc/12/91/16/263129116.db2.gz LEHQIRSBWZTZFB-MRXNPFEDSA-N 1 2 288.391 2.445 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000292162602 263129117 /nfs/dbraw/zinc/12/91/17/263129117.db2.gz LEHQIRSBWZTZFB-MRXNPFEDSA-N 1 2 288.391 2.445 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000292259742 263130172 /nfs/dbraw/zinc/13/01/72/263130172.db2.gz RJEWHWXAWKGUOY-UHFFFAOYSA-N 1 2 255.321 2.339 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000292259742 263130173 /nfs/dbraw/zinc/13/01/73/263130173.db2.gz RJEWHWXAWKGUOY-UHFFFAOYSA-N 1 2 255.321 2.339 20 30 CEEDLO CCC[C@@H](C)C(=O)NCC/[NH+]=C/c1cc(OC)ccc1O ZINC000292348744 263131337 /nfs/dbraw/zinc/13/13/37/263131337.db2.gz PSKKIRDNZIKQFT-PBSOMRJOSA-N 1 2 292.379 2.372 20 30 CEEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000294907042 263168991 /nfs/dbraw/zinc/16/89/91/263168991.db2.gz FXCWKKKITPMABQ-KBPBESRZSA-N 1 2 281.363 2.439 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000295172388 263173705 /nfs/dbraw/zinc/17/37/05/263173705.db2.gz OONHXVYCJOSGQM-CQSZACIVSA-N 1 2 273.380 2.103 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000295172388 263173706 /nfs/dbraw/zinc/17/37/06/263173706.db2.gz OONHXVYCJOSGQM-CQSZACIVSA-N 1 2 273.380 2.103 20 30 CEEDLO CC(C)C(=O)N1CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000298322278 263218024 /nfs/dbraw/zinc/21/80/24/263218024.db2.gz UKYNICRXWIUQGS-LICLKQGHSA-N 1 2 290.363 2.164 20 30 CEEDLO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000299167031 263232933 /nfs/dbraw/zinc/23/29/33/263232933.db2.gz PFTRQKGFHRHULJ-QLFBSQMISA-N 1 2 287.407 2.386 20 30 CEEDLO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000299167031 263232934 /nfs/dbraw/zinc/23/29/34/263232934.db2.gz PFTRQKGFHRHULJ-QLFBSQMISA-N 1 2 287.407 2.386 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000341995180 263373683 /nfs/dbraw/zinc/37/36/83/263373683.db2.gz SOVJJWHRDDPFKX-UHFFFAOYSA-N 1 2 287.338 2.450 20 30 CEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCC(=O)CC1 ZINC000328732057 263862556 /nfs/dbraw/zinc/86/25/56/263862556.db2.gz IXCBSRQCPNRPSR-CYBMUJFWSA-N 1 2 287.363 2.376 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000330804209 264042912 /nfs/dbraw/zinc/04/29/12/264042912.db2.gz BLDLRQMDGIOGJY-RNCFNFMXSA-N 1 2 279.290 2.185 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CCCC#N)C2 ZINC000330886880 264063211 /nfs/dbraw/zinc/06/32/11/264063211.db2.gz GWAGQOCYKLZPCB-GFCCVEGCSA-N 1 2 288.395 2.305 20 30 CEEDLO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000330854940 264069218 /nfs/dbraw/zinc/06/92/18/264069218.db2.gz 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ZINC000369509089 267247702 /nfs/dbraw/zinc/24/77/02/267247702.db2.gz GUFDFYZJIVFBAS-MRXNPFEDSA-N 1 2 277.412 2.403 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C#N)c(C)n1 ZINC000450832983 267257075 /nfs/dbraw/zinc/25/70/75/267257075.db2.gz SHJXISCENCBFQR-NSHDSACASA-N 1 2 255.325 2.073 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000452574252 267258107 /nfs/dbraw/zinc/25/81/07/267258107.db2.gz YXVVMZAWLLXYJS-GFCCVEGCSA-N 1 2 282.347 2.195 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC000369804195 267267948 /nfs/dbraw/zinc/26/79/48/267267948.db2.gz RYOBKRQSIFJTJC-IAGOWNOFSA-N 1 2 297.402 2.381 20 30 CEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC000369804195 267267950 /nfs/dbraw/zinc/26/79/50/267267950.db2.gz RYOBKRQSIFJTJC-IAGOWNOFSA-N 1 2 297.402 2.381 20 30 CEEDLO COC(=O)C1([NH2+]Cc2ccc(C#N)c(C)c2)CCCC1 ZINC000488131775 267358371 /nfs/dbraw/zinc/35/83/71/267358371.db2.gz YLCGKQLNUABSDC-UHFFFAOYSA-N 1 2 272.348 2.442 20 30 CEEDLO Cc1cc(NC(=O)C=Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000491862932 267946732 /nfs/dbraw/zinc/94/67/32/267946732.db2.gz GPRCYCDFERYBFY-SREVYHEPSA-N 1 2 263.300 2.336 20 30 CEEDLO Cc1noc(C)c1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459618755 268095649 /nfs/dbraw/zinc/09/56/49/268095649.db2.gz SQEBAVUGXKGWNM-UHFFFAOYSA-N 1 2 283.331 2.426 20 30 CEEDLO CCc1nc(CCNc2cc(C)[nH+]cc2C#N)cs1 ZINC000425219320 271140049 /nfs/dbraw/zinc/14/00/49/271140049.db2.gz BNYJIMRRKJRMNT-UHFFFAOYSA-N 1 2 272.377 2.357 20 30 CEEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157279951 274274015 /nfs/dbraw/zinc/27/40/15/274274015.db2.gz JPGLXMSAPRCUHG-CZUORRHYSA-N 1 2 293.794 2.163 20 30 CEEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157279951 274274016 /nfs/dbraw/zinc/27/40/16/274274016.db2.gz JPGLXMSAPRCUHG-CZUORRHYSA-N 1 2 293.794 2.163 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC1CC1)C2 ZINC000329188926 277270447 /nfs/dbraw/zinc/27/04/47/277270447.db2.gz BUKPNJREHMDYOE-NSHDSACASA-N 1 2 276.384 2.161 20 30 CEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C1CC1)C2 ZINC000329188926 277270451 /nfs/dbraw/zinc/27/04/51/277270451.db2.gz BUKPNJREHMDYOE-NSHDSACASA-N 1 2 276.384 2.161 20 30 CEEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[S@@](=O)C1 ZINC000277450786 288135899 /nfs/dbraw/zinc/13/58/99/288135899.db2.gz LVYILRWTWOKWOF-BFUOFWGJSA-N 1 2 295.835 2.392 20 30 CEEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[S@@](=O)C1 ZINC000277450786 288135902 /nfs/dbraw/zinc/13/59/02/288135902.db2.gz LVYILRWTWOKWOF-BFUOFWGJSA-N 1 2 295.835 2.392 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1F ZINC000192060495 280179138 /nfs/dbraw/zinc/17/91/38/280179138.db2.gz LHSXJAIOQHOSDN-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1F ZINC000192060495 280179141 /nfs/dbraw/zinc/17/91/41/280179141.db2.gz LHSXJAIOQHOSDN-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO COC(=O)[C@H]([NH2+]CCCOc1cccc(C#N)c1)C(C)C ZINC000546591866 298351267 /nfs/dbraw/zinc/35/12/67/298351267.db2.gz CUFSPMVQDCQAKL-OAHLLOKOSA-N 1 2 290.363 2.114 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572660033 327629157 /nfs/dbraw/zinc/62/91/57/327629157.db2.gz YFJPMROJOMCMTO-WDEREUQCSA-N 1 2 290.323 2.204 20 30 CEEDLO Cc1cc(NC(=O)Cc2cccc(C#N)c2)c(C)c[nH+]1 ZINC000536574934 313403740 /nfs/dbraw/zinc/40/37/40/313403740.db2.gz REIGIMAEZLEJIZ-UHFFFAOYSA-N 1 2 265.316 2.173 20 30 CEEDLO Cc1cc(Cl)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000563220651 327979697 /nfs/dbraw/zinc/97/96/97/327979697.db2.gz UHFXGGHJHPKHCV-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000339225757 328002457 /nfs/dbraw/zinc/00/24/57/328002457.db2.gz IFJPCVQGPICQRV-CQSZACIVSA-N 1 2 282.347 2.107 20 30 CEEDLO CC1CC(C#N)(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000531835035 328041693 /nfs/dbraw/zinc/04/16/93/328041693.db2.gz ZRIUXTNFRLRTKB-IOSBVQAASA-N 1 2 286.379 2.232 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H]1CN(c2ccccc2)CCO1 ZINC000565171306 328074977 /nfs/dbraw/zinc/07/49/77/328074977.db2.gz KLWREXVMTKPICZ-KRWDZBQOSA-N 1 2 285.391 2.293 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CN(c2ccccc2)CCO1 ZINC000565171306 328074978 /nfs/dbraw/zinc/07/49/78/328074978.db2.gz KLWREXVMTKPICZ-KRWDZBQOSA-N 1 2 285.391 2.293 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)nn1 ZINC000414433751 328169554 /nfs/dbraw/zinc/16/95/54/328169554.db2.gz BXDLXOHYTONBLF-UHFFFAOYSA-N 1 2 287.363 2.449 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)nn1 ZINC000414433751 328169555 /nfs/dbraw/zinc/16/95/55/328169555.db2.gz BXDLXOHYTONBLF-UHFFFAOYSA-N 1 2 287.363 2.449 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)c1cccc(Br)c1 ZINC000267609967 328179668 /nfs/dbraw/zinc/17/96/68/328179668.db2.gz NPOMCNDJKULSLD-GFCCVEGCSA-N 1 2 283.169 2.328 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)c1cccc(Br)c1 ZINC000267609967 328179669 /nfs/dbraw/zinc/17/96/69/328179669.db2.gz NPOMCNDJKULSLD-GFCCVEGCSA-N 1 2 283.169 2.328 20 30 CEEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCCC#N ZINC000267820973 328180480 /nfs/dbraw/zinc/18/04/80/328180480.db2.gz OUJUKMUCPVLDCV-OAHLLOKOSA-N 1 2 272.348 2.453 20 30 CEEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000267820973 328180481 /nfs/dbraw/zinc/18/04/81/328180481.db2.gz OUJUKMUCPVLDCV-OAHLLOKOSA-N 1 2 272.348 2.453 20 30 CEEDLO C[C@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176257814 329176077 /nfs/dbraw/zinc/17/60/77/329176077.db2.gz GDONBZMGYGHBPL-ZDUSSCGKSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176257814 329176078 /nfs/dbraw/zinc/17/60/78/329176078.db2.gz GDONBZMGYGHBPL-ZDUSSCGKSA-N 1 2 263.385 2.013 20 30 CEEDLO Cc1cc(C[NH+]2CCN(CC#N)CC2)ccc1Cl ZINC000180427852 329216808 /nfs/dbraw/zinc/21/68/08/329216808.db2.gz ITPPSWCFPJZOAJ-UHFFFAOYSA-N 1 2 263.772 2.290 20 30 CEEDLO CC(C)Oc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284432443 328246034 /nfs/dbraw/zinc/24/60/34/328246034.db2.gz OUHPXCUFKGSMEW-AWEZNQCLSA-N 1 2 278.352 2.442 20 30 CEEDLO N#Cc1ccc(Cl)c(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000582681704 322494562 /nfs/dbraw/zinc/49/45/62/322494562.db2.gz ABFUNYUXHKSZNF-UHFFFAOYSA-N 1 2 286.722 2.105 20 30 CEEDLO C=CC[C@@H](CO)CNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000340886546 328402185 /nfs/dbraw/zinc/40/21/85/328402185.db2.gz PRJIZVOQWIMTAS-CYBMUJFWSA-N 1 2 298.390 2.119 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000584181485 327061055 /nfs/dbraw/zinc/06/10/55/327061055.db2.gz ZJXVXXJVWZKWTI-YPMHNXCESA-N 1 2 255.321 2.133 20 30 CEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000584181485 327061056 /nfs/dbraw/zinc/06/10/56/327061056.db2.gz ZJXVXXJVWZKWTI-YPMHNXCESA-N 1 2 255.321 2.133 20 30 CEEDLO Cc1cc(C)cc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000566309257 327298945 /nfs/dbraw/zinc/29/89/45/327298945.db2.gz MOGMYGNKZMXAHH-QGZVFWFLSA-N 1 2 287.407 2.196 20 30 CEEDLO Cc1ccc(/C=C/CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000566309828 327299986 /nfs/dbraw/zinc/29/99/86/327299986.db2.gz ULNMNTVVQRYQEY-RTRPANQVSA-N 1 2 285.391 2.358 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1COCc2ccccc21 ZINC000574312911 327312599 /nfs/dbraw/zinc/31/25/99/327312599.db2.gz PHIQFBWVMGHOJS-DOMZBBRYSA-N 1 2 255.321 2.291 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 ZINC000566428307 327361127 /nfs/dbraw/zinc/36/11/27/327361127.db2.gz DQBKUNNFMFYFDQ-JSGCOSHPSA-N 1 2 271.364 2.246 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC(C)(C)C#N ZINC000561427113 327394396 /nfs/dbraw/zinc/39/43/96/327394396.db2.gz PLLUBYOZSHNENQ-UHFFFAOYSA-N 1 2 292.289 2.041 20 30 CEEDLO C#Cc1cccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377740180 329027721 /nfs/dbraw/zinc/02/77/21/329027721.db2.gz SWSNCKXASWZCMU-CYBMUJFWSA-N 1 2 280.331 2.070 20 30 CEEDLO C#Cc1cccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377740180 329027722 /nfs/dbraw/zinc/02/77/22/329027722.db2.gz SWSNCKXASWZCMU-CYBMUJFWSA-N 1 2 280.331 2.070 20 30 CEEDLO CC(C)C[C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582549941 329106053 /nfs/dbraw/zinc/10/60/53/329106053.db2.gz KVWFGQCIHNKJBO-TZMCWYRMSA-N 1 2 253.390 2.019 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000582526761 329107078 /nfs/dbraw/zinc/10/70/78/329107078.db2.gz CJCDRZZGZUKKQE-DOMZBBRYSA-N 1 2 283.331 2.402 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000172797070 329139053 /nfs/dbraw/zinc/13/90/53/329139053.db2.gz SMDOXZPOAOBXIR-OAHLLOKOSA-N 1 2 259.349 2.116 20 30 CEEDLO CC#CC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000172797070 329139054 /nfs/dbraw/zinc/13/90/54/329139054.db2.gz SMDOXZPOAOBXIR-OAHLLOKOSA-N 1 2 259.349 2.116 20 30 CEEDLO N#CCc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178059045 329192074 /nfs/dbraw/zinc/19/20/74/329192074.db2.gz VWEIBFRAZYMCKE-UHFFFAOYSA-N 1 2 290.326 2.330 20 30 CEEDLO C[C@H](CCC#N)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000582968819 329295902 /nfs/dbraw/zinc/29/59/02/329295902.db2.gz WPIUWZKFNCXTOC-YPMHNXCESA-N 1 2 255.325 2.176 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC ZINC000584478341 329498509 /nfs/dbraw/zinc/49/85/09/329498509.db2.gz PKQLOPSDGGJUQT-NWDGAFQWSA-N 1 2 275.352 2.304 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)NCC(C)(C)CC#N)ccn12 ZINC000571699878 329910939 /nfs/dbraw/zinc/91/09/39/329910939.db2.gz BBCMGPUPZRWQEX-UHFFFAOYSA-N 1 2 270.336 2.312 20 30 CEEDLO C=CCCN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000276348443 330113264 /nfs/dbraw/zinc/11/32/64/330113264.db2.gz HCQAMALNKYCMLX-UHFFFAOYSA-N 1 2 257.337 2.379 20 30 CEEDLO N#CC[C@@]1(O)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528039119 330303283 /nfs/dbraw/zinc/30/32/83/330303283.db2.gz DJSRBXIVVYUEOW-OAHLLOKOSA-N 1 2 253.305 2.090 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000424290765 330334738 /nfs/dbraw/zinc/33/47/38/330334738.db2.gz CELHHWVRMSHIRP-NSHDSACASA-N 1 2 287.323 2.223 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3ccc(O)cc32)nn1 ZINC000424294691 330335703 /nfs/dbraw/zinc/33/57/03/330335703.db2.gz LIIIESGXVLFYPD-INIZCTEOSA-N 1 2 284.363 2.337 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3occc32)nn1 ZINC000424294916 330335846 /nfs/dbraw/zinc/33/58/46/330335846.db2.gz LUJNNIPEVDDMGQ-CYBMUJFWSA-N 1 2 258.325 2.224 20 30 CEEDLO N/C(=N/O)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000079812697 330338019 /nfs/dbraw/zinc/33/80/19/330338019.db2.gz OPJRAWFVNMBMRF-LBPRGKRZSA-N 1 2 267.760 2.441 20 30 CEEDLO N/C(=N/O)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000079812697 330338020 /nfs/dbraw/zinc/33/80/20/330338020.db2.gz OPJRAWFVNMBMRF-LBPRGKRZSA-N 1 2 267.760 2.441 20 30 CEEDLO N#CC1(C[N@H+](CCO)Cc2cccc(F)c2)CCC1 ZINC000450844110 331002357 /nfs/dbraw/zinc/00/23/57/331002357.db2.gz GXTQZUHNZXJBCM-UHFFFAOYSA-N 1 2 262.328 2.314 20 30 CEEDLO N#CC1(C[N@@H+](CCO)Cc2cccc(F)c2)CCC1 ZINC000450844110 331002358 /nfs/dbraw/zinc/00/23/58/331002358.db2.gz GXTQZUHNZXJBCM-UHFFFAOYSA-N 1 2 262.328 2.314 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC000451613419 331037034 /nfs/dbraw/zinc/03/70/34/331037034.db2.gz NBXUWMITDXJOMH-TUAOUCFPSA-N 1 2 255.358 2.040 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC#Cc1ccccc1 ZINC000454217774 331142059 /nfs/dbraw/zinc/14/20/59/331142059.db2.gz ATTNBCCCWHUOPS-AWEZNQCLSA-N 1 2 296.374 2.315 20 30 CEEDLO C=C(CC)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454339013 331144396 /nfs/dbraw/zinc/14/43/96/331144396.db2.gz OIVBCDJYNUOXJB-UHFFFAOYSA-N 1 2 288.395 2.316 20 30 CEEDLO C=C(C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000454348650 331144716 /nfs/dbraw/zinc/14/47/16/331144716.db2.gz YYTZICGDSVVIDJ-UHFFFAOYSA-N 1 2 288.395 2.316 20 30 CEEDLO C=C(C)COCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454699712 331151770 /nfs/dbraw/zinc/15/17/70/331151770.db2.gz VFIIMXWWWAMOKD-UHFFFAOYSA-N 1 2 277.368 2.090 20 30 CEEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456400157 331192146 /nfs/dbraw/zinc/19/21/46/331192146.db2.gz DHMNZVZLRQRFMM-TYNCELHUSA-N 1 2 277.368 2.234 20 30 CEEDLO CC(C)(CC#N)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000457776154 331233985 /nfs/dbraw/zinc/23/39/85/331233985.db2.gz LUNZPOBTGAJCPU-UHFFFAOYSA-N 1 2 289.383 2.123 20 30 CEEDLO COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459453723 331282096 /nfs/dbraw/zinc/28/20/96/331282096.db2.gz CMXQARNSKZWCIM-GXTWGEPZSA-N 1 2 259.353 2.489 20 30 CEEDLO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000459456674 331282243 /nfs/dbraw/zinc/28/22/43/331282243.db2.gz CFFCKKDICOPTEX-PJODQICGSA-N 1 2 299.374 2.498 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C(=O)OC ZINC000459510758 331285487 /nfs/dbraw/zinc/28/54/87/331285487.db2.gz LNQDUMIMIRWVAG-WXRRBKDZSA-N 1 2 269.385 2.145 20 30 CEEDLO Cc1cc(NC(=O)NCC(C)(C)CCC#N)cc[nH+]1 ZINC000479129939 331720844 /nfs/dbraw/zinc/72/08/44/331720844.db2.gz GULBVHXRKYTXLP-UHFFFAOYSA-N 1 2 260.341 2.263 20 30 CEEDLO C#CC[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000490650043 332099780 /nfs/dbraw/zinc/09/97/80/332099780.db2.gz JUJVFRLBEGIYOK-HNNXBMFYSA-N 1 2 257.312 2.214 20 30 CEEDLO C#CC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000490650043 332099781 /nfs/dbraw/zinc/09/97/81/332099781.db2.gz JUJVFRLBEGIYOK-HNNXBMFYSA-N 1 2 257.312 2.214 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCc1ccco1)Cc1ccccc1 ZINC000491070922 332146224 /nfs/dbraw/zinc/14/62/24/332146224.db2.gz GOMZYJFOSWHNEG-UHFFFAOYSA-N 1 2 282.343 2.031 20 30 CEEDLO C#CC[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1 ZINC000491070922 332146225 /nfs/dbraw/zinc/14/62/25/332146225.db2.gz GOMZYJFOSWHNEG-UHFFFAOYSA-N 1 2 282.343 2.031 20 30 CEEDLO C#C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000491092105 332148030 /nfs/dbraw/zinc/14/80/30/332148030.db2.gz AZVRPZGEEVJIGG-ZDUSSCGKSA-N 1 2 291.713 2.166 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000491219952 332168259 /nfs/dbraw/zinc/16/82/59/332168259.db2.gz IRZIEZYQTWNKQV-MRXNPFEDSA-N 1 2 293.370 2.108 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000491278266 332179835 /nfs/dbraw/zinc/17/98/35/332179835.db2.gz SIJDUNDKACXFFN-AWEZNQCLSA-N 1 2 288.395 2.375 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000491285271 332180941 /nfs/dbraw/zinc/18/09/41/332180941.db2.gz CAZXSKKSMNOJEQ-CZUORRHYSA-N 1 2 262.397 2.326 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000491285271 332180942 /nfs/dbraw/zinc/18/09/42/332180942.db2.gz CAZXSKKSMNOJEQ-CZUORRHYSA-N 1 2 262.397 2.326 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C1CC1 ZINC000491630287 332253096 /nfs/dbraw/zinc/25/30/96/332253096.db2.gz QABSVFZMRUZIMJ-CQSZACIVSA-N 1 2 270.376 2.304 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C1CC1 ZINC000491630287 332253098 /nfs/dbraw/zinc/25/30/98/332253098.db2.gz QABSVFZMRUZIMJ-CQSZACIVSA-N 1 2 270.376 2.304 20 30 CEEDLO C#C[C@H](CCC)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491634143 332255661 /nfs/dbraw/zinc/25/56/61/332255661.db2.gz QLHBHCLRMUCSHV-CYBMUJFWSA-N 1 2 284.363 2.244 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000491675071 332280817 /nfs/dbraw/zinc/28/08/17/332280817.db2.gz YNLGVSBNVMQNPF-HOCLYGCPSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000491675071 332280818 /nfs/dbraw/zinc/28/08/18/332280818.db2.gz YNLGVSBNVMQNPF-HOCLYGCPSA-N 1 2 270.376 2.222 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000491752742 332328407 /nfs/dbraw/zinc/32/84/07/332328407.db2.gz ZDOUCFRPXPFZJO-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000491752742 332328409 /nfs/dbraw/zinc/32/84/09/332328409.db2.gz ZDOUCFRPXPFZJO-SECBINFHSA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491787768 332350085 /nfs/dbraw/zinc/35/00/85/332350085.db2.gz WPSJQUAWOGBQCH-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491787768 332350086 /nfs/dbraw/zinc/35/00/86/332350086.db2.gz WPSJQUAWOGBQCH-SECBINFHSA-N 1 2 295.726 2.140 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)CC(C)C ZINC000492408830 332395988 /nfs/dbraw/zinc/39/59/88/332395988.db2.gz ONHXWFZGYAFNDI-LFAOLKIESA-N 1 2 274.368 2.361 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493257347 332432726 /nfs/dbraw/zinc/43/27/26/332432726.db2.gz GQECPPKHQAGDQL-PLNGDYQASA-N 1 2 260.341 2.211 20 30 CEEDLO N#CC1(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493454191 332440900 /nfs/dbraw/zinc/44/09/00/332440900.db2.gz PWSOYWCPEHTWNK-ZZXKWVIFSA-N 1 2 292.342 2.305 20 30 CEEDLO COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1CC[C@H](C#N)C1 ZINC000566480990 334651832 /nfs/dbraw/zinc/65/18/32/334651832.db2.gz DHOMXJOBGHZPER-CMPLNLGQSA-N 1 2 272.352 2.197 20 30 CEEDLO N#C[C@@H]1[N@H+](CCC2(O)CCC2)CCC[C@]12CCCCO2 ZINC000517085966 333092385 /nfs/dbraw/zinc/09/23/85/333092385.db2.gz RMCXNUMHUBEBGK-GOEBONIOSA-N 1 2 278.396 2.219 20 30 CEEDLO N#C[C@@H]1[N@@H+](CCC2(O)CCC2)CCC[C@]12CCCCO2 ZINC000517085966 333092387 /nfs/dbraw/zinc/09/23/87/333092387.db2.gz RMCXNUMHUBEBGK-GOEBONIOSA-N 1 2 278.396 2.219 20 30 CEEDLO N#C[C@@H]1[N@H+](CCC2(O)CCC2)CCC[C@@]12CCCCO2 ZINC000517085967 333092504 /nfs/dbraw/zinc/09/25/04/333092504.db2.gz RMCXNUMHUBEBGK-HOCLYGCPSA-N 1 2 278.396 2.219 20 30 CEEDLO N#C[C@@H]1[N@@H+](CCC2(O)CCC2)CCC[C@@]12CCCCO2 ZINC000517085967 333092505 /nfs/dbraw/zinc/09/25/05/333092505.db2.gz RMCXNUMHUBEBGK-HOCLYGCPSA-N 1 2 278.396 2.219 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000517378236 333098405 /nfs/dbraw/zinc/09/84/05/333098405.db2.gz ZFPROWMXFZCHDM-WFASDCNBSA-N 1 2 265.401 2.163 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000517392228 333098910 /nfs/dbraw/zinc/09/89/10/333098910.db2.gz VZGMWJFKBURUKO-OCCSQVGLSA-N 1 2 275.327 2.213 20 30 CEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)o1 ZINC000541688833 333786863 /nfs/dbraw/zinc/78/68/63/333786863.db2.gz AOAGWEMYNGUJNH-SNVBAGLBSA-N 1 2 256.309 2.295 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCCC1(C)C ZINC000576230448 335174796 /nfs/dbraw/zinc/17/47/96/335174796.db2.gz AMAGWHJIGGAILF-DOMZBBRYSA-N 1 2 265.401 2.163 20 30 CEEDLO N#CCC[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000548928981 334180585 /nfs/dbraw/zinc/18/05/85/334180585.db2.gz GJOALNQSKBMULF-UHFFFAOYSA-N 1 2 266.348 2.364 20 30 CEEDLO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249604194 334337891 /nfs/dbraw/zinc/33/78/91/334337891.db2.gz ZFKZSLMUUANBCW-IUODEOHRSA-N 1 2 290.794 2.277 20 30 CEEDLO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](C(N)=O)C1 ZINC000249604194 334337893 /nfs/dbraw/zinc/33/78/93/334337893.db2.gz ZFKZSLMUUANBCW-IUODEOHRSA-N 1 2 290.794 2.277 20 30 CEEDLO Cc1nc2ccccc2cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309330 334642130 /nfs/dbraw/zinc/64/21/30/334642130.db2.gz NWQGPTRMJGPYRK-KRWDZBQOSA-N 1 2 296.374 2.117 20 30 CEEDLO Cc1ccc(/C=C\CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000566309826 334642226 /nfs/dbraw/zinc/64/22/26/334642226.db2.gz ULNMNTVVQRYQEY-KEGWNNHHSA-N 1 2 285.391 2.358 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154089323 334687747 /nfs/dbraw/zinc/68/77/47/334687747.db2.gz IEYQFGVXXHGQOI-UHFFFAOYSA-N 1 2 262.696 2.317 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000578450778 335636211 /nfs/dbraw/zinc/63/62/11/335636211.db2.gz KZQOWZWHNKLZQQ-CQSZACIVSA-N 1 2 263.385 2.275 20 30 CEEDLO CC(C)[C@@H]1CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000353034012 500624698 /nfs/dbraw/zinc/62/46/98/500624698.db2.gz ZJTWAMWMLZTVKP-HNNXBMFYSA-N 1 2 292.404 2.062 20 30 CEEDLO CC(C)[C@@H]1CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000353034012 500624703 /nfs/dbraw/zinc/62/47/03/500624703.db2.gz ZJTWAMWMLZTVKP-HNNXBMFYSA-N 1 2 292.404 2.062 20 30 CEEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1c[nH+]cn1C ZINC000329730354 533750764 /nfs/dbraw/zinc/75/07/64/533750764.db2.gz HVHSGRZWJATDMX-DYEKYZERSA-N 1 2 276.384 2.487 20 30 CEEDLO C[C@H](C#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000347136032 534285946 /nfs/dbraw/zinc/28/59/46/534285946.db2.gz NRKQCDLENCWVDR-OLZOCXBDSA-N 1 2 287.363 2.178 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000183045783 520159165 /nfs/dbraw/zinc/15/91/65/520159165.db2.gz RRQAOSUYIANBPC-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000183045783 520159173 /nfs/dbraw/zinc/15/91/73/520159173.db2.gz RRQAOSUYIANBPC-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO C=CCCC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000263971236 534606094 /nfs/dbraw/zinc/60/60/94/534606094.db2.gz VDUUJGGGKUCWPA-UHFFFAOYSA-N 1 2 288.391 2.306 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)[C@@H](C)C#N ZINC000336603257 534689992 /nfs/dbraw/zinc/68/99/92/534689992.db2.gz YUJRBSMOXSJOLI-JSGCOSHPSA-N 1 2 296.374 2.495 20 30 CEEDLO Cn1c(C[NH2+][C@H]2CCC[C@@H]2C#N)nnc1-c1ccccc1 ZINC000332212005 534692250 /nfs/dbraw/zinc/69/22/50/534692250.db2.gz VEBCMLFIFWUQHD-KGLIPLIRSA-N 1 2 281.363 2.264 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C)c(C#N)n1)CCC2 ZINC000364958123 525932727 /nfs/dbraw/zinc/93/27/27/525932727.db2.gz WQWMMYFSISSLMR-CYBMUJFWSA-N 1 2 281.363 2.178 20 30 CEEDLO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000370772276 526727342 /nfs/dbraw/zinc/72/73/42/526727342.db2.gz ISEDGQLNIUURSV-AWEZNQCLSA-N 1 2 284.319 2.157 20 30 CEEDLO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000370772276 526727347 /nfs/dbraw/zinc/72/73/47/526727347.db2.gz ISEDGQLNIUURSV-AWEZNQCLSA-N 1 2 284.319 2.157 20 30 CEEDLO C=CCOc1ccc(C[N@H+](CC)CC(=O)OC)cc1 ZINC000353289763 526864124 /nfs/dbraw/zinc/86/41/24/526864124.db2.gz VDUDZMFBOFOGJI-UHFFFAOYSA-N 1 2 263.337 2.246 20 30 CEEDLO C=CCOc1ccc(C[N@@H+](CC)CC(=O)OC)cc1 ZINC000353289763 526864130 /nfs/dbraw/zinc/86/41/30/526864130.db2.gz VDUDZMFBOFOGJI-UHFFFAOYSA-N 1 2 263.337 2.246 20 30 CEEDLO CC(C)(C#N)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000350924515 527457137 /nfs/dbraw/zinc/45/71/37/527457137.db2.gz ZCZKPOWIJUCAHE-UHFFFAOYSA-N 1 2 296.374 2.487 20 30 CEEDLO CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)C[C@H](C)C#N ZINC000352102299 528870888 /nfs/dbraw/zinc/87/08/88/528870888.db2.gz LFXPCVYCSWIJAY-SNVBAGLBSA-N 1 2 257.341 2.248 20 30 CEEDLO CC[N@H+](Cc1cnc2n[nH]c(C)c2c1)C[C@H](C)C#N ZINC000352102299 528870893 /nfs/dbraw/zinc/87/08/93/528870893.db2.gz LFXPCVYCSWIJAY-SNVBAGLBSA-N 1 2 257.341 2.248 20 30 CEEDLO CC[N@@H+](Cc1nc(C#N)cs1)C[C@H]1CCCO1 ZINC000356056601 528883010 /nfs/dbraw/zinc/88/30/10/528883010.db2.gz MQDPZIOHQTZVOF-LLVKDONJSA-N 1 2 251.355 2.016 20 30 CEEDLO CC[N@H+](Cc1nc(C#N)cs1)C[C@H]1CCCO1 ZINC000356056601 528883011 /nfs/dbraw/zinc/88/30/11/528883011.db2.gz MQDPZIOHQTZVOF-LLVKDONJSA-N 1 2 251.355 2.016 20 30 CEEDLO CCOc1ccc(/C=[NH+]\CCSCC(=O)OC)c(O)c1 ZINC000729819223 574493556 /nfs/dbraw/zinc/49/35/56/574493556.db2.gz GNVDLERCIJQGGB-DHDCSXOGSA-N 1 2 297.376 2.116 20 30 CEEDLO Cn1cccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730147318 574502771 /nfs/dbraw/zinc/50/27/71/574502771.db2.gz BONLVBYGDUALBI-UHFFFAOYSA-N 1 2 250.305 2.441 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)OCC ZINC000730260199 574512475 /nfs/dbraw/zinc/51/24/75/574512475.db2.gz CVQMWDBEBXDCCS-CYBMUJFWSA-N 1 2 275.348 2.082 20 30 CEEDLO C#CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)OCC ZINC000730260199 574512476 /nfs/dbraw/zinc/51/24/76/574512476.db2.gz CVQMWDBEBXDCCS-CYBMUJFWSA-N 1 2 275.348 2.082 20 30 CEEDLO C[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000741463961 574596012 /nfs/dbraw/zinc/59/60/12/574596012.db2.gz JSHVJYWIKQKJMS-KYMBZKNXSA-N 1 2 277.324 2.202 20 30 CEEDLO C[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000741463961 574596013 /nfs/dbraw/zinc/59/60/13/574596013.db2.gz JSHVJYWIKQKJMS-KYMBZKNXSA-N 1 2 277.324 2.202 20 30 CEEDLO CC(C)c1nc(NCCNc2ncccc2C#N)cc[nH+]1 ZINC000731987418 574609618 /nfs/dbraw/zinc/60/96/18/574609618.db2.gz XZRGWBXYTZBQGF-UHFFFAOYSA-N 1 2 282.351 2.391 20 30 CEEDLO C=CCOc1ccc(C[N@@H+](C)CCS(=O)(=O)CC)cc1 ZINC000735669863 574763809 /nfs/dbraw/zinc/76/38/09/574763809.db2.gz KIDWQXMHMVNGCJ-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO C=CCOc1ccc(C[N@H+](C)CCS(=O)(=O)CC)cc1 ZINC000735669863 574763810 /nfs/dbraw/zinc/76/38/10/574763810.db2.gz KIDWQXMHMVNGCJ-UHFFFAOYSA-N 1 2 297.420 2.118 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755907571 574785831 /nfs/dbraw/zinc/78/58/31/574785831.db2.gz VQGVWBLRQJEJLL-LBPRGKRZSA-N 1 2 278.352 2.172 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)N[C@@](CC)(C(C)C)C1=O)C(C)C ZINC000738027985 574849895 /nfs/dbraw/zinc/84/98/95/574849895.db2.gz CKVNREFDENLDBH-HNNXBMFYSA-N 1 2 281.400 2.197 20 30 CEEDLO C=CC[N@H+](CN1C(=O)N[C@@](CC)(C(C)C)C1=O)C(C)C ZINC000738027985 574849897 /nfs/dbraw/zinc/84/98/97/574849897.db2.gz CKVNREFDENLDBH-HNNXBMFYSA-N 1 2 281.400 2.197 20 30 CEEDLO Cc1cccc(C)c1C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000738313584 574857921 /nfs/dbraw/zinc/85/79/21/574857921.db2.gz JHGZKUKIHYBJQS-MRXNPFEDSA-N 1 2 269.392 2.476 20 30 CEEDLO Cc1cccc(C)c1C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000738313584 574857922 /nfs/dbraw/zinc/85/79/22/574857922.db2.gz JHGZKUKIHYBJQS-MRXNPFEDSA-N 1 2 269.392 2.476 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000739905164 574935862 /nfs/dbraw/zinc/93/58/62/574935862.db2.gz VTHXHKHXXZRLMF-AWEZNQCLSA-N 1 2 258.321 2.258 20 30 CEEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCCC(C)(C)C ZINC000739914700 574936189 /nfs/dbraw/zinc/93/61/89/574936189.db2.gz NQFCEAAFGDBOGW-UHFFFAOYSA-N 1 2 267.417 2.410 20 30 CEEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCCC(C)(C)C ZINC000739914700 574936190 /nfs/dbraw/zinc/93/61/90/574936190.db2.gz NQFCEAAFGDBOGW-UHFFFAOYSA-N 1 2 267.417 2.410 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)cc1F ZINC000741146465 574977439 /nfs/dbraw/zinc/97/74/39/574977439.db2.gz KJYREASDEGDFQE-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)cc1F ZINC000741146465 574977440 /nfs/dbraw/zinc/97/74/40/574977440.db2.gz KJYREASDEGDFQE-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO CCOc1ccc(/C=[NH+]\C2CCN(C(C)=O)CC2)c(O)c1 ZINC000743334427 575049144 /nfs/dbraw/zinc/04/91/44/575049144.db2.gz XFSSONGLKMHXFP-BOPFTXTBSA-N 1 2 290.363 2.221 20 30 CEEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](C)SCCCC)CC1 ZINC000744364470 575120252 /nfs/dbraw/zinc/12/02/52/575120252.db2.gz DFYWYYWDQPAPHK-CQSZACIVSA-N 1 2 282.453 2.076 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)/C=C/Sc2ccccc2)CC1 ZINC000744423025 575120793 /nfs/dbraw/zinc/12/07/93/575120793.db2.gz UFUALVQBHOMBLW-RIYZIHGNSA-N 1 2 286.400 2.070 20 30 CEEDLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)o2)cc1C#N ZINC000746577258 575159822 /nfs/dbraw/zinc/15/98/22/575159822.db2.gz TZPMFMZNMFFIEI-SECBINFHSA-N 1 2 272.308 2.109 20 30 CEEDLO Cc1cc(NC(=O)c2ccccc2OCC#N)c(C)c[nH+]1 ZINC000747112703 575167343 /nfs/dbraw/zinc/16/73/43/575167343.db2.gz PVSCCFPLCPXXMM-UHFFFAOYSA-N 1 2 281.315 2.275 20 30 CEEDLO O=C(C#Cc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000747381269 575169980 /nfs/dbraw/zinc/16/99/80/575169980.db2.gz FVVPUEBLTDGKNT-MRXNPFEDSA-N 1 2 279.343 2.098 20 30 CEEDLO CO[C@@H](C)C(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000747868367 575176087 /nfs/dbraw/zinc/17/60/87/575176087.db2.gz VGISRUICPAPNTH-VIFPVBQESA-N 1 2 297.742 2.276 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)CCCCCC(C)C)CC1 ZINC000747909066 575176639 /nfs/dbraw/zinc/17/66/39/575176639.db2.gz SUXPPZMBXLLWGC-UHFFFAOYSA-N 1 2 264.413 2.370 20 30 CEEDLO C=CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccncc1 ZINC000749239218 575210331 /nfs/dbraw/zinc/21/03/31/575210331.db2.gz CZDITDQOVFGLDU-CABCVRRESA-N 1 2 296.374 2.274 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)CSCC2CCCCC2)CC1 ZINC000750001255 575243158 /nfs/dbraw/zinc/24/31/58/575243158.db2.gz JQJSLWYUXXIGKT-UHFFFAOYSA-N 1 2 294.464 2.077 20 30 CEEDLO CC(C)(C#N)CCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000751454992 575289221 /nfs/dbraw/zinc/28/92/21/575289221.db2.gz FYJNSYOHKIEDPS-UHFFFAOYSA-N 1 2 261.325 2.079 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1C ZINC000752302154 575307914 /nfs/dbraw/zinc/30/79/14/575307914.db2.gz YLHCBXICXIWOMH-RISCZKNCSA-N 1 2 258.321 2.257 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C ZINC000752302154 575307915 /nfs/dbraw/zinc/30/79/15/575307915.db2.gz YLHCBXICXIWOMH-RISCZKNCSA-N 1 2 258.321 2.257 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)c(F)c1 ZINC000752421466 575309790 /nfs/dbraw/zinc/30/97/90/575309790.db2.gz WPDFYGYYVXAIDA-HNNXBMFYSA-N 1 2 274.339 2.424 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)c(F)c1 ZINC000752421466 575309791 /nfs/dbraw/zinc/30/97/91/575309791.db2.gz WPDFYGYYVXAIDA-HNNXBMFYSA-N 1 2 274.339 2.424 20 30 CEEDLO C#CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1 ZINC000823838180 607938805 /nfs/dbraw/zinc/93/88/05/607938805.db2.gz KXBGKHWXMQZMIJ-CQSZACIVSA-N 1 2 293.330 2.314 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC000951788841 613294937 /nfs/dbraw/zinc/29/49/37/613294937.db2.gz ZRZKNVFYZXKKBO-TZMCWYRMSA-N 1 2 250.386 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000952438838 613295241 /nfs/dbraw/zinc/29/52/41/613295241.db2.gz FCLKGFWVROUSOF-LSDHHAIUSA-N 1 2 262.397 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC000957059243 613295389 /nfs/dbraw/zinc/29/53/89/613295389.db2.gz PMAPRDYUYVVIBF-GJZGRUSLSA-N 1 2 264.413 2.387 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3cccn3cn2)C1 ZINC000950612663 613296400 /nfs/dbraw/zinc/29/64/00/613296400.db2.gz VPCZYXBGYZMCPL-UHFFFAOYSA-N 1 2 298.390 2.057 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2csc(Cl)n2)CC1 ZINC000957088403 613321812 /nfs/dbraw/zinc/32/18/12/613321812.db2.gz NXPDMGRAZJNORV-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(F)nc2)C1 ZINC000969391769 613371776 /nfs/dbraw/zinc/37/17/76/613371776.db2.gz NQRKSFXOPGPTDA-SNVBAGLBSA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000980876114 613373049 /nfs/dbraw/zinc/37/30/49/613373049.db2.gz KBNISPNXAIZAMS-UHFFFAOYSA-N 1 2 268.788 2.239 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000980876114 613373050 /nfs/dbraw/zinc/37/30/50/613373050.db2.gz KBNISPNXAIZAMS-UHFFFAOYSA-N 1 2 268.788 2.239 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccoc2)CC1 ZINC000981028854 613373464 /nfs/dbraw/zinc/37/34/64/613373464.db2.gz QGDHRCFKOHWQNU-UHFFFAOYSA-N 1 2 282.771 2.109 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccoc2)CC1 ZINC000981028854 613373465 /nfs/dbraw/zinc/37/34/65/613373465.db2.gz QGDHRCFKOHWQNU-UHFFFAOYSA-N 1 2 282.771 2.109 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967408739 613377881 /nfs/dbraw/zinc/37/78/81/613377881.db2.gz LTPZBZGRRLDFCJ-TVQRCGJNSA-N 1 2 299.777 2.347 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967408739 613377882 /nfs/dbraw/zinc/37/78/82/613377882.db2.gz LTPZBZGRRLDFCJ-TVQRCGJNSA-N 1 2 299.777 2.347 20 30 CEEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cnc(C)s2)C1 ZINC000949769957 613480813 /nfs/dbraw/zinc/48/08/13/613480813.db2.gz MYOHTHPYKPQSEP-UHFFFAOYSA-N 1 2 279.409 2.174 20 30 CEEDLO C=CCC[NH+]1CCN(C(=O)c2ncc(Cl)s2)CC1 ZINC000949277223 613513128 /nfs/dbraw/zinc/51/31/28/613513128.db2.gz DUZZDMRBNTYVSS-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)CC2(c3ccccc3)CC2)CC1 ZINC000948682887 613561846 /nfs/dbraw/zinc/56/18/46/613561846.db2.gz JQHCGNKEHMDUFZ-UHFFFAOYSA-N 1 2 296.414 2.276 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC000952394617 613654145 /nfs/dbraw/zinc/65/41/45/613654145.db2.gz LCBVJGZUMRBAOB-CHWSQXEVSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000950371020 613654724 /nfs/dbraw/zinc/65/47/24/613654724.db2.gz LMXOXTYTNSNPPA-IJEWVQPXSA-N 1 2 274.408 2.307 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]2C(F)F)C1 ZINC000950509088 613655335 /nfs/dbraw/zinc/65/53/35/613655335.db2.gz XSVPOSCYHVTBIF-STQMWFEESA-N 1 2 286.366 2.387 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CC(C2CC2)C2CC2)CC1 ZINC000957790500 613707433 /nfs/dbraw/zinc/70/74/33/613707433.db2.gz ZCVFJDFADVRVAS-UHFFFAOYSA-N 1 2 262.397 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000949925219 613711203 /nfs/dbraw/zinc/71/12/03/613711203.db2.gz WIGHFRCBGWMWFN-UONOGXRCSA-N 1 2 250.386 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccsc2)CC1 ZINC000950446742 613712436 /nfs/dbraw/zinc/71/24/36/613712436.db2.gz FLRLVEJJSYHTQF-GFCCVEGCSA-N 1 2 264.394 2.182 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000949188214 613714069 /nfs/dbraw/zinc/71/40/69/613714069.db2.gz IEBBCZKWHJCLNU-UHFFFAOYSA-N 1 2 262.353 2.149 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cccc2C)CC1 ZINC000950664191 613714073 /nfs/dbraw/zinc/71/40/73/613714073.db2.gz MLPMIPYIIXCMLL-UHFFFAOYSA-N 1 2 258.365 2.247 20 30 CEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC000972501528 613725532 /nfs/dbraw/zinc/72/55/32/613725532.db2.gz FJTASPKSGJIGPV-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC000972501528 613725534 /nfs/dbraw/zinc/72/55/34/613725534.db2.gz FJTASPKSGJIGPV-QGZVFWFLSA-N 1 2 292.423 2.056 20 30 CEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000972394453 613725684 /nfs/dbraw/zinc/72/56/84/613725684.db2.gz HXAHCJRGLZMBJD-QGZVFWFLSA-N 1 2 294.439 2.158 20 30 CEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000972394453 613725686 /nfs/dbraw/zinc/72/56/86/613725686.db2.gz HXAHCJRGLZMBJD-QGZVFWFLSA-N 1 2 294.439 2.158 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000287472020 622740353 /nfs/dbraw/zinc/74/03/53/622740353.db2.gz SLPSJCQEFXYSAV-OAHLLOKOSA-N 1 2 281.359 2.093 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000287472020 622740358 /nfs/dbraw/zinc/74/03/58/622740358.db2.gz SLPSJCQEFXYSAV-OAHLLOKOSA-N 1 2 281.359 2.093 20 30 CEEDLO CCCNC(=O)C[N@H+](CCC)Cc1csc(C#N)c1 ZINC000891746921 623940806 /nfs/dbraw/zinc/94/08/06/623940806.db2.gz CHQHAISWOZPLFV-UHFFFAOYSA-N 1 2 279.409 2.358 20 30 CEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1csc(C#N)c1 ZINC000891746921 623940808 /nfs/dbraw/zinc/94/08/08/623940808.db2.gz CHQHAISWOZPLFV-UHFFFAOYSA-N 1 2 279.409 2.358 20 30 CEEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933665835 623956578 /nfs/dbraw/zinc/95/65/78/623956578.db2.gz KNJVVAZCQFZWFR-MSOLQXFVSA-N 1 2 285.387 2.166 20 30 CEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933665835 623956581 /nfs/dbraw/zinc/95/65/81/623956581.db2.gz KNJVVAZCQFZWFR-MSOLQXFVSA-N 1 2 285.387 2.166 20 30 CEEDLO CC[C@H]([NH2+]CC1(CCO)CC1)c1cccc(C#N)c1O ZINC000926230033 623966209 /nfs/dbraw/zinc/96/62/09/623966209.db2.gz XVJCBZLGSHSWOI-AWEZNQCLSA-N 1 2 274.364 2.467 20 30 CEEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1csc(C#N)c1 ZINC000892101602 624317248 /nfs/dbraw/zinc/31/72/48/624317248.db2.gz OKBSOMXTDHTPDM-LLVKDONJSA-N 1 2 296.417 2.100 20 30 CEEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1csc(C#N)c1 ZINC000892101602 624317251 /nfs/dbraw/zinc/31/72/51/624317251.db2.gz OKBSOMXTDHTPDM-LLVKDONJSA-N 1 2 296.417 2.100 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000934458951 624507908 /nfs/dbraw/zinc/50/79/08/624507908.db2.gz ACLGFAYOHCWPMQ-OAHLLOKOSA-N 1 2 272.348 2.478 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000934458951 624507912 /nfs/dbraw/zinc/50/79/12/624507912.db2.gz ACLGFAYOHCWPMQ-OAHLLOKOSA-N 1 2 272.348 2.478 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCOCC2)o1 ZINC000934637648 624672732 /nfs/dbraw/zinc/67/27/32/624672732.db2.gz GNUCYEQKDGZCHD-CQSZACIVSA-N 1 2 290.363 2.169 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCOCC2)o1 ZINC000934637648 624672734 /nfs/dbraw/zinc/67/27/34/624672734.db2.gz GNUCYEQKDGZCHD-CQSZACIVSA-N 1 2 290.363 2.169 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)C1CC1 ZINC000820652467 634489545 /nfs/dbraw/zinc/48/95/45/634489545.db2.gz SKMXQIUGWMCQOK-CYBMUJFWSA-N 1 2 260.337 2.057 20 30 CEEDLO CC[C@H]([NH2+]CC1CC(O)C1)c1cccc(C#N)c1O ZINC000926764248 627305031 /nfs/dbraw/zinc/30/50/31/627305031.db2.gz HBZWZDBKXFQHEK-OVGLSYRBSA-N 1 2 260.337 2.075 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001006536102 627362130 /nfs/dbraw/zinc/36/21/30/627362130.db2.gz QKFVFJWCZGVXRX-QGZVFWFLSA-N 1 2 297.402 2.439 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001006536102 627362134 /nfs/dbraw/zinc/36/21/34/627362134.db2.gz QKFVFJWCZGVXRX-QGZVFWFLSA-N 1 2 297.402 2.439 20 30 CEEDLO CC(C)c1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000172059270 627750414 /nfs/dbraw/zinc/75/04/14/627750414.db2.gz QPLJDISINCUOBE-UHFFFAOYSA-N 1 2 260.297 2.030 20 30 CEEDLO C#CCOCCNc1ccc2ccc(OC)cc2[nH+]1 ZINC000893144985 628036287 /nfs/dbraw/zinc/03/62/87/628036287.db2.gz VTCCZXGZYBVRMI-UHFFFAOYSA-N 1 2 256.305 2.305 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925613477 628297492 /nfs/dbraw/zinc/29/74/92/628297492.db2.gz RSMNIDWQCAPORV-CQSZACIVSA-N 1 2 297.443 2.141 20 30 CEEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893543436 628712211 /nfs/dbraw/zinc/71/22/11/628712211.db2.gz CHPFIQKTMALEBV-ZETCQYMHSA-N 1 2 263.288 2.497 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1ncc(Br)cc1O ZINC000893552635 628735525 /nfs/dbraw/zinc/73/55/25/628735525.db2.gz WLWDQZARWCJMSG-UHFFFAOYSA-N 1 2 284.157 2.189 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124005 629149332 /nfs/dbraw/zinc/14/93/32/629149332.db2.gz FBSNFNPPQUJSIV-TYNCELHUSA-N 1 2 292.404 2.388 20 30 CEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124005 629149335 /nfs/dbraw/zinc/14/93/35/629149335.db2.gz FBSNFNPPQUJSIV-TYNCELHUSA-N 1 2 292.404 2.388 20 30 CEEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925028544 629378879 /nfs/dbraw/zinc/37/88/79/629378879.db2.gz OVGDGYLUBBOYLV-LBPRGKRZSA-N 1 2 272.352 2.231 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000180551061 629857605 /nfs/dbraw/zinc/85/76/05/629857605.db2.gz GCOCTSXKUXFRAC-GOSISDBHSA-N 1 2 298.386 2.095 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000180551061 629857617 /nfs/dbraw/zinc/85/76/17/629857617.db2.gz GCOCTSXKUXFRAC-GOSISDBHSA-N 1 2 298.386 2.095 20 30 CEEDLO CN(C(=O)C[NH+]1CCC(F)(F)CC1)C1(C#N)CCCCC1 ZINC000796548100 629929048 /nfs/dbraw/zinc/92/90/48/629929048.db2.gz AGZJPGQSGXTZPO-UHFFFAOYSA-N 1 2 299.365 2.402 20 30 CEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@@H](C)CC#N ZINC000796707187 629973604 /nfs/dbraw/zinc/97/36/04/629973604.db2.gz BHKMUXBYTDVOMX-QMMMGPOBSA-N 1 2 293.273 2.468 20 30 CEEDLO Cc1[nH]c([C@H]2CCCN2c2cncc(C#N)n2)[nH+]c1C ZINC000895197680 630026265 /nfs/dbraw/zinc/02/62/65/630026265.db2.gz UVOSCZRXAOYWLK-GFCCVEGCSA-N 1 2 268.324 2.030 20 30 CEEDLO CC(C)c1c(Cl)ncnc1N=NCc1c[nH+]cn1C ZINC000797405054 630226470 /nfs/dbraw/zinc/22/64/70/630226470.db2.gz VIODRLNJHIVRRS-UHFFFAOYSA-N 1 2 278.747 2.433 20 30 CEEDLO C=C(C)C[C@H](NCc1cccc2[nH+]ccn21)C(=O)OCC ZINC000895599331 630265918 /nfs/dbraw/zinc/26/59/18/630265918.db2.gz XLVFLFAUISEJJR-AWEZNQCLSA-N 1 2 287.363 2.322 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@H]1SC)C(=O)OCC ZINC000895592052 630268522 /nfs/dbraw/zinc/26/85/22/630268522.db2.gz KTZASCRZDPPAGA-GRYCIOLGSA-N 1 2 257.399 2.368 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)C(=O)OC ZINC000895754306 630331065 /nfs/dbraw/zinc/33/10/65/630331065.db2.gz OCERGBRHIQGOLY-AVGNSLFASA-N 1 2 267.369 2.041 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000895757091 630332663 /nfs/dbraw/zinc/33/26/63/630332663.db2.gz PTAQGSNZTLVALI-UHFFFAOYSA-N 1 2 284.363 2.249 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000895757091 630332667 /nfs/dbraw/zinc/33/26/67/630332667.db2.gz PTAQGSNZTLVALI-UHFFFAOYSA-N 1 2 284.363 2.249 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cc(O)cc(Cl)c2)C[C@@H](C)N1CC#N ZINC000895970821 630423613 /nfs/dbraw/zinc/42/36/13/630423613.db2.gz GSTBEMIKDZHRIN-VXGBXAGGSA-N 1 2 293.798 2.464 20 30 CEEDLO C[C@]1(Br)C[C@H]1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896502295 630583178 /nfs/dbraw/zinc/58/31/78/630583178.db2.gz WPKJHOTUNRHMCV-DCAQKATOSA-N 1 2 257.175 2.395 20 30 CEEDLO C[C@]1(Br)C[C@H]1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896502295 630583180 /nfs/dbraw/zinc/58/31/80/630583180.db2.gz WPKJHOTUNRHMCV-DCAQKATOSA-N 1 2 257.175 2.395 20 30 CEEDLO Cc1cccc(F)c1N[NH2+]C1=CC(=O)N2CCC[C@@H]12 ZINC000799484850 631032328 /nfs/dbraw/zinc/03/23/28/631032328.db2.gz JGGLSLGDQOUKCK-LBPRGKRZSA-N 1 2 261.300 2.297 20 30 CEEDLO CN(C)c1[nH+]cc(/C=C2\Cc3cc(O)ccc3C2=O)n1C ZINC000840718519 631035317 /nfs/dbraw/zinc/03/53/17/631035317.db2.gz ABZCQNTVJSANEW-YRNVUSSQSA-N 1 2 283.331 2.014 20 30 CEEDLO C=C(C)C[N@@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985443497 631081822 /nfs/dbraw/zinc/08/18/22/631081822.db2.gz VNRODCXZJJYNHK-LLVKDONJSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985443497 631081828 /nfs/dbraw/zinc/08/18/28/631081828.db2.gz VNRODCXZJJYNHK-LLVKDONJSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000985443497 631081837 /nfs/dbraw/zinc/08/18/37/631081837.db2.gz VNRODCXZJJYNHK-LLVKDONJSA-N 1 2 296.308 2.386 20 30 CEEDLO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000985443497 631081841 /nfs/dbraw/zinc/08/18/41/631081841.db2.gz VNRODCXZJJYNHK-LLVKDONJSA-N 1 2 296.308 2.386 20 30 CEEDLO C#C[C@H]1CCCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000897360894 631187156 /nfs/dbraw/zinc/18/71/56/631187156.db2.gz SQBYYEXQFITMEP-ZDUSSCGKSA-N 1 2 256.353 2.069 20 30 CEEDLO C#C[C@H]1CCCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC000897360894 631187158 /nfs/dbraw/zinc/18/71/58/631187158.db2.gz SQBYYEXQFITMEP-ZDUSSCGKSA-N 1 2 256.353 2.069 20 30 CEEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000839949864 631372080 /nfs/dbraw/zinc/37/20/80/631372080.db2.gz KKJYQBRRTZIBSF-NSHDSACASA-N 1 2 291.317 2.142 20 30 CEEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000839949864 631372085 /nfs/dbraw/zinc/37/20/85/631372085.db2.gz KKJYQBRRTZIBSF-NSHDSACASA-N 1 2 291.317 2.142 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2cnn(CC3CCC3)c2)n1 ZINC000897430704 631422403 /nfs/dbraw/zinc/42/24/03/631422403.db2.gz YUPPATVVEMPZCD-UHFFFAOYSA-N 1 2 287.392 2.301 20 30 CEEDLO C[C@@H](C#N)OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000802731388 631449939 /nfs/dbraw/zinc/44/99/39/631449939.db2.gz NOABICAZYAMEIP-QMMMGPOBSA-N 1 2 284.241 2.379 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)OCCCc1[nH+]ccn1C ZINC000802790266 631461046 /nfs/dbraw/zinc/46/10/46/631461046.db2.gz ZBJBEWJNXZLFFY-UHFFFAOYSA-N 1 2 283.331 2.390 20 30 CEEDLO C=CCCCCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000806665915 631764340 /nfs/dbraw/zinc/76/43/40/631764340.db2.gz FMJAUFDUOOKDBC-OAHLLOKOSA-N 1 2 297.443 2.143 20 30 CEEDLO C=CCCCCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000806665915 631764342 /nfs/dbraw/zinc/76/43/42/631764342.db2.gz FMJAUFDUOOKDBC-OAHLLOKOSA-N 1 2 297.443 2.143 20 30 CEEDLO Cn1nc2c(c1C[N@H+](C)Cc1cc(C#N)cs1)CCC2 ZINC000897624614 631831861 /nfs/dbraw/zinc/83/18/61/631831861.db2.gz ROLNTAXGLSSVNW-UHFFFAOYSA-N 1 2 286.404 2.474 20 30 CEEDLO Cn1nc2c(c1C[N@@H+](C)Cc1cc(C#N)cs1)CCC2 ZINC000897624614 631831865 /nfs/dbraw/zinc/83/18/65/631831865.db2.gz ROLNTAXGLSSVNW-UHFFFAOYSA-N 1 2 286.404 2.474 20 30 CEEDLO C[C@H]([NH2+]Cc1ccon1)c1ccc(OCC#N)cc1 ZINC000148705956 631852077 /nfs/dbraw/zinc/85/20/77/631852077.db2.gz LUYZXEGXWNNVCH-NSHDSACASA-N 1 2 257.293 2.428 20 30 CEEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N)nc2)c1 ZINC000807976883 631894543 /nfs/dbraw/zinc/89/45/43/631894543.db2.gz CGIDZPXFHTYQOG-UHFFFAOYSA-N 1 2 260.272 2.258 20 30 CEEDLO N#CCCCOc1cccc(C[N@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898191513 632105672 /nfs/dbraw/zinc/10/56/72/632105672.db2.gz CUTNISUUXBFFDL-CVEARBPZSA-N 1 2 292.354 2.274 20 30 CEEDLO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898191513 632105673 /nfs/dbraw/zinc/10/56/73/632105673.db2.gz CUTNISUUXBFFDL-CVEARBPZSA-N 1 2 292.354 2.274 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC000809645959 632120440 /nfs/dbraw/zinc/12/04/40/632120440.db2.gz PEKQMLZMQCBMAT-OAHLLOKOSA-N 1 2 284.403 2.357 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC000809645959 632120441 /nfs/dbraw/zinc/12/04/41/632120441.db2.gz PEKQMLZMQCBMAT-OAHLLOKOSA-N 1 2 284.403 2.357 20 30 CEEDLO N#Cc1csc(C[NH2+][C@H](CCO)c2cccs2)n1 ZINC000810146509 632187003 /nfs/dbraw/zinc/18/70/03/632187003.db2.gz RTGFXBHKURVNCN-SNVBAGLBSA-N 1 2 279.390 2.290 20 30 CEEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2ccccn2)C1 ZINC000810526766 632222130 /nfs/dbraw/zinc/22/21/30/632222130.db2.gz CXZVNFYRMKETAX-MLGOLLRUSA-N 1 2 289.354 2.470 20 30 CEEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2ccccn2)C1 ZINC000810526766 632222135 /nfs/dbraw/zinc/22/21/35/632222135.db2.gz CXZVNFYRMKETAX-MLGOLLRUSA-N 1 2 289.354 2.470 20 30 CEEDLO CC[C@@H]([NH2+]CCn1cccn1)c1cccc(C#N)c1O ZINC000925325066 632232212 /nfs/dbraw/zinc/23/22/12/632232212.db2.gz KEGFRVFHJCXFHQ-CQSZACIVSA-N 1 2 270.336 2.201 20 30 CEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898506063 632521283 /nfs/dbraw/zinc/52/12/83/632521283.db2.gz AFYQHDOXDGPEED-AWEZNQCLSA-N 1 2 268.376 2.283 20 30 CEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898506063 632521288 /nfs/dbraw/zinc/52/12/88/632521288.db2.gz AFYQHDOXDGPEED-AWEZNQCLSA-N 1 2 268.376 2.283 20 30 CEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1C#N ZINC000898503610 632527632 /nfs/dbraw/zinc/52/76/32/632527632.db2.gz WOCYDCADELDNLT-HNNXBMFYSA-N 1 2 289.354 2.030 20 30 CEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1C#N ZINC000898503610 632527634 /nfs/dbraw/zinc/52/76/34/632527634.db2.gz WOCYDCADELDNLT-HNNXBMFYSA-N 1 2 289.354 2.030 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898905075 632640416 /nfs/dbraw/zinc/64/04/16/632640416.db2.gz RAPFCICSNKVRSF-UHFFFAOYSA-N 1 2 282.347 2.228 20 30 CEEDLO CCOc1ccc(/C=[NH+]/CC2CC3(C2)OCCO3)c(O)c1 ZINC000899226897 632743255 /nfs/dbraw/zinc/74/32/55/632743255.db2.gz AQUVBEKHJAJNQM-GZTJUZNOSA-N 1 2 291.347 2.363 20 30 CEEDLO COC[C@@H](C/[NH+]=C/c1cccc(O)c1O)C(C)C ZINC000899227675 632744367 /nfs/dbraw/zinc/74/43/67/632744367.db2.gz PTTAQQSNCHLWCD-IWTIEGKHSA-N 1 2 251.326 2.435 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2cc(C)n(C)n2)c1 ZINC000899226047 632752499 /nfs/dbraw/zinc/75/24/99/632752499.db2.gz JTJISRXMHFESFN-BOPFTXTBSA-N 1 2 287.363 2.494 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]Nc1ccc([N+](=O)[O-])cc1 ZINC000814682149 632879875 /nfs/dbraw/zinc/87/98/75/632879875.db2.gz IHCNVNRHJIIXMD-UHFFFAOYSA-N 1 2 298.306 2.120 20 30 CEEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(Cl)cc1 ZINC000814683815 632880190 /nfs/dbraw/zinc/88/01/90/632880190.db2.gz QYMLIBRBWFGCBH-UHFFFAOYSA-N 1 2 263.732 2.410 20 30 CEEDLO CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(N)[nH+]c1 ZINC000814890808 632915423 /nfs/dbraw/zinc/91/54/23/632915423.db2.gz ASRBDYLZMZLJRU-UHFFFAOYSA-N 1 2 286.726 2.420 20 30 CEEDLO CCC(=[NH+]Nc1cnnn1C)c1ccc(N(C)C)cc1 ZINC000814982044 632946672 /nfs/dbraw/zinc/94/66/72/632946672.db2.gz VBRTUGQTABETDH-UHFFFAOYSA-N 1 2 272.356 2.107 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CCCO1 ZINC000815135920 632968805 /nfs/dbraw/zinc/96/88/05/632968805.db2.gz JLIGRCBQSQGPDF-YPMHNXCESA-N 1 2 265.740 2.316 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815147953 632972794 /nfs/dbraw/zinc/97/27/94/632972794.db2.gz IBKPPKUIBRJDDH-ZYHUDNBSSA-N 1 2 294.317 2.347 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815147953 632972795 /nfs/dbraw/zinc/97/27/95/632972795.db2.gz IBKPPKUIBRJDDH-ZYHUDNBSSA-N 1 2 294.317 2.347 20 30 CEEDLO C=CCC(F)(F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000815577749 633033487 /nfs/dbraw/zinc/03/34/87/633033487.db2.gz XRXGATNFSIKPKL-UHFFFAOYSA-N 1 2 251.236 2.484 20 30 CEEDLO C[C@](O)(C[NH+]1CC2(CC2(F)F)C1)C(F)(F)C(F)(F)F ZINC000899891957 633082075 /nfs/dbraw/zinc/08/20/75/633082075.db2.gz UQRTVRPQDQRWEG-LURJTMIESA-N 1 2 295.198 2.276 20 30 CEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900425162 633716027 /nfs/dbraw/zinc/71/60/27/633716027.db2.gz WOFOVMNRRURRTG-UHFFFAOYSA-N 1 2 282.347 2.261 20 30 CEEDLO C=CCN(C(=O)NCc1nc(C[NH+](C)C)cs1)C1CC1 ZINC000924777574 633820405 /nfs/dbraw/zinc/82/04/05/633820405.db2.gz PJSGBXCKVPOELO-UHFFFAOYSA-N 1 2 294.424 2.065 20 30 CEEDLO N#CCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000818026786 633841692 /nfs/dbraw/zinc/84/16/92/633841692.db2.gz VJAIYJZWGLCGQA-LBPRGKRZSA-N 1 2 286.379 2.345 20 30 CEEDLO N#CCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000818026786 633841701 /nfs/dbraw/zinc/84/17/01/633841701.db2.gz VJAIYJZWGLCGQA-LBPRGKRZSA-N 1 2 286.379 2.345 20 30 CEEDLO N#C[C@H](NC(=O)CNc1cccc[nH+]1)C1CCCCC1 ZINC000900953219 633891948 /nfs/dbraw/zinc/89/19/48/633891948.db2.gz WRBALEXVPYUYDL-ZDUSSCGKSA-N 1 2 272.352 2.082 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000818739192 633983018 /nfs/dbraw/zinc/98/30/18/633983018.db2.gz RFRIQYHXTIRXIF-WBVHZDCISA-N 1 2 298.386 2.227 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000818739192 633983024 /nfs/dbraw/zinc/98/30/24/633983024.db2.gz RFRIQYHXTIRXIF-WBVHZDCISA-N 1 2 298.386 2.227 20 30 CEEDLO CCCc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819394208 634168562 /nfs/dbraw/zinc/16/85/62/634168562.db2.gz SSNRNVIWFDJMNQ-INIZCTEOSA-N 1 2 275.396 2.257 20 30 CEEDLO CCCc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819394208 634168568 /nfs/dbraw/zinc/16/85/68/634168568.db2.gz SSNRNVIWFDJMNQ-INIZCTEOSA-N 1 2 275.396 2.257 20 30 CEEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc2n(n1)CCCC2 ZINC000901564257 634181530 /nfs/dbraw/zinc/18/15/30/634181530.db2.gz VIGOWQYYTLASQP-VOTSOKGWSA-N 1 2 270.336 2.332 20 30 CEEDLO COc1ccncc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902999899 634931644 /nfs/dbraw/zinc/93/16/44/634931644.db2.gz RJZIOENIXYVSGJ-NSHDSACASA-N 1 2 268.320 2.208 20 30 CEEDLO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cccc(C#N)c1O ZINC000903440085 635119770 /nfs/dbraw/zinc/11/97/70/635119770.db2.gz LCGZKKROYDCRFL-COLVAYQJSA-N 1 2 272.348 2.339 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000903620048 635185327 /nfs/dbraw/zinc/18/53/27/635185327.db2.gz ALOJEAYKFTYUKZ-FZMZJTMJSA-N 1 2 271.320 2.254 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N(O)Cc1ccccc1Cl ZINC000904189837 635502994 /nfs/dbraw/zinc/50/29/94/635502994.db2.gz BIUDXCOFAYZHSL-UHFFFAOYSA-N 1 2 293.754 2.424 20 30 CEEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccsc2)CC1 ZINC000824867600 635515973 /nfs/dbraw/zinc/51/59/73/635515973.db2.gz SHJHSQASGJLRAF-UHFFFAOYSA-N 1 2 264.350 2.027 20 30 CEEDLO CC#CCCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904267918 635536942 /nfs/dbraw/zinc/53/69/42/635536942.db2.gz AGNGFLCNZHAWJB-UHFFFAOYSA-N 1 2 256.309 2.368 20 30 CEEDLO C#CCC(C)(C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904261221 635544694 /nfs/dbraw/zinc/54/46/94/635544694.db2.gz AEPJDSBMKMQPJE-UHFFFAOYSA-N 1 2 256.309 2.323 20 30 CEEDLO C#CC[C@@H](CCOC)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000825080927 635561580 /nfs/dbraw/zinc/56/15/80/635561580.db2.gz YHMTWASMYOYVFB-GJZGRUSLSA-N 1 2 291.395 2.015 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000826535541 635777172 /nfs/dbraw/zinc/77/71/72/635777172.db2.gz ZGSPZRWYXVXDLI-SNVBAGLBSA-N 1 2 271.286 2.284 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000826535541 635777174 /nfs/dbraw/zinc/77/71/74/635777174.db2.gz ZGSPZRWYXVXDLI-SNVBAGLBSA-N 1 2 271.286 2.284 20 30 CEEDLO Cc1cnc(Cl)c(C=NNCCCn2cc[nH+]c2)c1 ZINC000905485154 636287514 /nfs/dbraw/zinc/28/75/14/636287514.db2.gz UIGUALXWVAJYKS-UHFFFAOYSA-N 1 2 277.759 2.254 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000827435321 636319644 /nfs/dbraw/zinc/31/96/44/636319644.db2.gz ZFKXTHPIIFPIME-MRXNPFEDSA-N 1 2 271.364 2.241 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000827435321 636319645 /nfs/dbraw/zinc/31/96/45/636319645.db2.gz ZFKXTHPIIFPIME-MRXNPFEDSA-N 1 2 271.364 2.241 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC000827692261 636392498 /nfs/dbraw/zinc/39/24/98/636392498.db2.gz GXPUGRPPYAGHKI-UHFFFAOYSA-N 1 2 279.343 2.047 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC000827692261 636392502 /nfs/dbraw/zinc/39/25/02/636392502.db2.gz GXPUGRPPYAGHKI-UHFFFAOYSA-N 1 2 279.343 2.047 20 30 CEEDLO C=CC[C@H]([NH2+]CCCOc1ccccc1)C(=O)OC ZINC000905746773 636408301 /nfs/dbraw/zinc/40/83/01/636408301.db2.gz DLFHHKKWYZGDOF-AWEZNQCLSA-N 1 2 263.337 2.163 20 30 CEEDLO C=CC[C@H]([NH2+]CCCc1cccc(F)c1)C(=O)OC ZINC000905761376 636448302 /nfs/dbraw/zinc/44/83/02/636448302.db2.gz XVFWOUNLBCALSX-AWEZNQCLSA-N 1 2 265.328 2.466 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000828098301 636507796 /nfs/dbraw/zinc/50/77/96/636507796.db2.gz RYKCYWHNRBPYJX-GJZGRUSLSA-N 1 2 292.329 2.050 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000828098301 636507800 /nfs/dbraw/zinc/50/78/00/636507800.db2.gz RYKCYWHNRBPYJX-GJZGRUSLSA-N 1 2 292.329 2.050 20 30 CEEDLO C#CC[N@@H+](Cc1cc(OC)ccc1OC)C1CSC1 ZINC000878913322 651208344 /nfs/dbraw/zinc/20/83/44/651208344.db2.gz JWBJCSHLKDFIEE-UHFFFAOYSA-N 1 2 277.389 2.254 20 30 CEEDLO C#CC[N@H+](Cc1cc(OC)ccc1OC)C1CSC1 ZINC000878913322 651208346 /nfs/dbraw/zinc/20/83/46/651208346.db2.gz JWBJCSHLKDFIEE-UHFFFAOYSA-N 1 2 277.389 2.254 20 30 CEEDLO C#CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccnc2)C1 ZINC000829805589 636933915 /nfs/dbraw/zinc/93/39/15/636933915.db2.gz VJBLFXNRXZHISN-ZFWWWQNUSA-N 1 2 272.348 2.031 20 30 CEEDLO C#CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccnc2)C1 ZINC000829805589 636933917 /nfs/dbraw/zinc/93/39/17/636933917.db2.gz VJBLFXNRXZHISN-ZFWWWQNUSA-N 1 2 272.348 2.031 20 30 CEEDLO N#Cc1sccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000907116282 636941148 /nfs/dbraw/zinc/94/11/48/636941148.db2.gz QNEGWIUUVUREDW-LLVKDONJSA-N 1 2 298.371 2.023 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000829971849 636963051 /nfs/dbraw/zinc/96/30/51/636963051.db2.gz TYNKUMPXQFWPSP-LLVKDONJSA-N 1 2 281.425 2.423 20 30 CEEDLO C#CC1CC[NH+](Cc2csc(N(CC)C(C)=O)n2)CC1 ZINC000830311006 637032203 /nfs/dbraw/zinc/03/22/03/637032203.db2.gz BCAUFISUUUBAJA-UHFFFAOYSA-N 1 2 291.420 2.361 20 30 CEEDLO C=C1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC000830994099 637212807 /nfs/dbraw/zinc/21/28/07/637212807.db2.gz FESWAOFFWOELFB-UHFFFAOYSA-N 1 2 261.369 2.215 20 30 CEEDLO Fc1cccc(N2CC[NH+](CC#Cc3ccccc3)CC2)n1 ZINC000831485424 637345648 /nfs/dbraw/zinc/34/56/48/637345648.db2.gz DHMAKUSADFKRFF-UHFFFAOYSA-N 1 2 295.361 2.394 20 30 CEEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@@H]1CCCO1 ZINC000876566391 650334715 /nfs/dbraw/zinc/33/47/15/650334715.db2.gz IPNVOUCSJJRGOE-LBPRGKRZSA-N 1 2 265.744 2.217 20 30 CEEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@@H]1CCCO1 ZINC000876566391 650334717 /nfs/dbraw/zinc/33/47/17/650334717.db2.gz IPNVOUCSJJRGOE-LBPRGKRZSA-N 1 2 265.744 2.217 20 30 CEEDLO N#CCN1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000876677264 650395191 /nfs/dbraw/zinc/39/51/91/650395191.db2.gz KNEKCWUEOOHMJT-UHFFFAOYSA-N 1 2 284.338 2.015 20 30 CEEDLO CCc1ccc(C#CC(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000912614362 638744579 /nfs/dbraw/zinc/74/45/79/638744579.db2.gz MQEODLNMFXVFMW-UHFFFAOYSA-N 1 2 295.386 2.349 20 30 CEEDLO C=CCC1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CCCC1 ZINC000913452303 639286962 /nfs/dbraw/zinc/28/69/62/639286962.db2.gz AMWRHHIXAIUFCP-CQSZACIVSA-N 1 2 288.395 2.019 20 30 CEEDLO O=C(C#CC1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000837585009 639294959 /nfs/dbraw/zinc/29/49/59/639294959.db2.gz FBPKPEGNZKLJKM-UHFFFAOYSA-N 1 2 297.402 2.339 20 30 CEEDLO CCCCCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000837715452 639353951 /nfs/dbraw/zinc/35/39/51/639353951.db2.gz NTRVILHPWAPWTF-UHFFFAOYSA-N 1 2 251.374 2.439 20 30 CEEDLO C=C(Br)C[NH2+]Cc1cccc(OC)n1 ZINC000168254893 639565669 /nfs/dbraw/zinc/56/56/69/639565669.db2.gz HGWWAECFIGJJTG-UHFFFAOYSA-N 1 2 257.131 2.088 20 30 CEEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)c2ccccc2)c1 ZINC000171752627 639729375 /nfs/dbraw/zinc/72/93/75/639729375.db2.gz CORXHJCREGFFFS-UHFFFAOYSA-N 1 2 297.358 2.226 20 30 CEEDLO CC(C)(CN=Nc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000841618508 639797638 /nfs/dbraw/zinc/79/76/38/639797638.db2.gz VJYLHOSMMJMRDT-UHFFFAOYSA-N 1 2 272.352 2.067 20 30 CEEDLO CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000174074642 639895248 /nfs/dbraw/zinc/89/52/48/639895248.db2.gz RJCVBWDTJCRRIF-AWEZNQCLSA-N 1 2 263.385 2.074 20 30 CEEDLO NC(=[NH+]OCCOCC1CCC1)c1ccc(F)cc1 ZINC000842019110 639920947 /nfs/dbraw/zinc/92/09/47/639920947.db2.gz HGXVCYIKYUSKIT-UHFFFAOYSA-N 1 2 266.316 2.279 20 30 CEEDLO C#CC1CC[NH+](Cn2c(=O)scc2-c2ccccn2)CC1 ZINC000842634637 640128429 /nfs/dbraw/zinc/12/84/29/640128429.db2.gz ZBPWQYBLMGATSW-UHFFFAOYSA-N 1 2 299.399 2.275 20 30 CEEDLO C=CCOCCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152614006 640285683 /nfs/dbraw/zinc/28/56/83/640285683.db2.gz SRLCJCSOXLFXGL-UHFFFAOYSA-N 1 2 277.368 2.377 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000152706347 640303081 /nfs/dbraw/zinc/30/30/81/640303081.db2.gz BTHWDJUHOUHGHW-UHFFFAOYSA-N 1 2 288.366 2.384 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000152706347 640303085 /nfs/dbraw/zinc/30/30/85/640303085.db2.gz BTHWDJUHOUHGHW-UHFFFAOYSA-N 1 2 288.366 2.384 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccn2)[C@H]1C ZINC000992962739 640384761 /nfs/dbraw/zinc/38/47/61/640384761.db2.gz LYDXVGNDDAMBSJ-OLZOCXBDSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccn2)[C@H]1C ZINC000992962739 640384765 /nfs/dbraw/zinc/38/47/65/640384765.db2.gz LYDXVGNDDAMBSJ-OLZOCXBDSA-N 1 2 293.798 2.417 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc(Cl)s2)[C@H]1C ZINC000993596269 640660051 /nfs/dbraw/zinc/66/00/51/640660051.db2.gz YUMGVJSYURDTOV-ZJUUUORDSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(Cl)s2)[C@H]1C ZINC000993596269 640660053 /nfs/dbraw/zinc/66/00/53/640660053.db2.gz YUMGVJSYURDTOV-ZJUUUORDSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncc(Cl)s2)[C@H]1C ZINC000993596266 640660846 /nfs/dbraw/zinc/66/08/46/640660846.db2.gz YUMGVJSYURDTOV-NXEZZACHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncc(Cl)s2)[C@H]1C ZINC000993596266 640660852 /nfs/dbraw/zinc/66/08/52/640660852.db2.gz YUMGVJSYURDTOV-NXEZZACHSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(Cl)cs2)[C@@H]1C ZINC000993731677 640676190 /nfs/dbraw/zinc/67/61/90/640676190.db2.gz QENIDRFGJFNWSP-VHSXEESVSA-N 1 2 297.811 2.012 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Cl)cs2)[C@@H]1C ZINC000993731677 640676192 /nfs/dbraw/zinc/67/61/92/640676192.db2.gz QENIDRFGJFNWSP-VHSXEESVSA-N 1 2 297.811 2.012 20 30 CEEDLO COc1ccccc1CO[NH+]=Cc1cnc(N(C)C)nc1 ZINC000814923235 640694130 /nfs/dbraw/zinc/69/41/30/640694130.db2.gz CUJYTIBSIRKJAI-UHFFFAOYSA-N 1 2 286.335 2.102 20 30 CEEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@H]1C ZINC000994067522 640695411 /nfs/dbraw/zinc/69/54/11/640695411.db2.gz FYDBFKCUUWJNJQ-OCCSQVGLSA-N 1 2 298.390 2.332 20 30 CEEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@H]1C ZINC000994067522 640695413 /nfs/dbraw/zinc/69/54/13/640695413.db2.gz FYDBFKCUUWJNJQ-OCCSQVGLSA-N 1 2 298.390 2.332 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCc2cc3n(n2)CCC3)ccc1F ZINC000844764612 640832041 /nfs/dbraw/zinc/83/20/41/640832041.db2.gz WHLNBVDYRWOGEA-UHFFFAOYSA-N 1 2 288.326 2.114 20 30 CEEDLO C=CCn1nnn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000919938484 641096786 /nfs/dbraw/zinc/09/67/86/641096786.db2.gz HHNJJJCHHGRMDQ-JTQLQIEISA-N 1 2 269.418 2.319 20 30 CEEDLO C=CCn1nnn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000919938484 641096792 /nfs/dbraw/zinc/09/67/92/641096792.db2.gz HHNJJJCHHGRMDQ-JTQLQIEISA-N 1 2 269.418 2.319 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000847027322 641534501 /nfs/dbraw/zinc/53/45/01/641534501.db2.gz AGSGXRBDFGJBER-NSHDSACASA-N 1 2 277.755 2.019 20 30 CEEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000847027322 641534503 /nfs/dbraw/zinc/53/45/03/641534503.db2.gz AGSGXRBDFGJBER-NSHDSACASA-N 1 2 277.755 2.019 20 30 CEEDLO OCCC[C@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848416488 641984818 /nfs/dbraw/zinc/98/48/18/641984818.db2.gz MVMAHNRXXVVSIZ-CQSZACIVSA-N 1 2 278.400 2.182 20 30 CEEDLO C[C@@]1(CN=NCCCn2cc[nH+]c2)CCCS1 ZINC000848416845 641984927 /nfs/dbraw/zinc/98/49/27/641984927.db2.gz AKWXVTMPFNCBDX-LBPRGKRZSA-N 1 2 252.387 2.134 20 30 CEEDLO Cc1cc2c(cc1C)C(=NNCCCn1cc[nH+]c1)CO2 ZINC000848416275 641985070 /nfs/dbraw/zinc/98/50/70/641985070.db2.gz FOPPHGKVXNHFJK-UHFFFAOYSA-N 1 2 284.363 2.276 20 30 CEEDLO C[C@@H]1Cc2ccccc2C1=NNCCCn1cc[nH+]c1 ZINC000848418623 641987217 /nfs/dbraw/zinc/98/72/17/641987217.db2.gz ONSHIZKOVIEDTC-CYBMUJFWSA-N 1 2 268.364 2.459 20 30 CEEDLO C=CCCn1cc(CO[NH+]=C(N)c2ccccc2C)nn1 ZINC000848504269 642017333 /nfs/dbraw/zinc/01/73/33/642017333.db2.gz FGFJGAISRAOQPR-UHFFFAOYSA-N 1 2 285.351 2.209 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)Nc1nc[nH+]c(N)c1OC ZINC000848704053 642105813 /nfs/dbraw/zinc/10/58/13/642105813.db2.gz QBGKMAAAUHUZCQ-CYBMUJFWSA-N 1 2 282.347 2.114 20 30 CEEDLO C#CC[C@H](Cc1ccccc1)Nc1[nH+]cnc(N)c1OC ZINC000848704053 642105815 /nfs/dbraw/zinc/10/58/15/642105815.db2.gz QBGKMAAAUHUZCQ-CYBMUJFWSA-N 1 2 282.347 2.114 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000848924493 642196599 /nfs/dbraw/zinc/19/65/99/642196599.db2.gz UAVUHUWOULUILB-NSHDSACASA-N 1 2 251.761 2.227 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000848924493 642196600 /nfs/dbraw/zinc/19/66/00/642196600.db2.gz UAVUHUWOULUILB-NSHDSACASA-N 1 2 251.761 2.227 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(F)c2N)n1 ZINC000877485033 650744579 /nfs/dbraw/zinc/74/45/79/650744579.db2.gz VTPKIUUKAIRYDF-UHFFFAOYSA-N 1 2 286.354 2.260 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(F)c2N)n1 ZINC000877485033 650744581 /nfs/dbraw/zinc/74/45/81/650744581.db2.gz VTPKIUUKAIRYDF-UHFFFAOYSA-N 1 2 286.354 2.260 20 30 CEEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](C)CN(C)C ZINC000850298920 642658606 /nfs/dbraw/zinc/65/86/06/642658606.db2.gz SJMSQSPDIJUNKU-LBPRGKRZSA-N 1 2 280.799 2.392 20 30 CEEDLO N#Cc1ccc(Br)c(CNCC[NH+]2CCC2)c1 ZINC000921924767 642790159 /nfs/dbraw/zinc/79/01/59/642790159.db2.gz MZZKJGRBSBPZBL-UHFFFAOYSA-N 1 2 294.196 2.116 20 30 CEEDLO N#CC1(CC(=O)OCc2cccc3[nH+]ccn32)CCOCC1 ZINC000850898714 642822710 /nfs/dbraw/zinc/82/27/10/642822710.db2.gz CGYVRANXMDLUNZ-UHFFFAOYSA-N 1 2 299.330 2.088 20 30 CEEDLO C=C1CCC(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000922075327 642868564 /nfs/dbraw/zinc/86/85/64/642868564.db2.gz AMWQHEQVIYIYRE-CQSZACIVSA-N 1 2 288.395 2.244 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccns2)CC1 ZINC001002939638 642870173 /nfs/dbraw/zinc/87/01/73/642870173.db2.gz DXHLMCPHHGFJHT-UHFFFAOYSA-N 1 2 285.800 2.090 20 30 CEEDLO N#CC[C@@H](NCc1cccc2[nH+]ccn21)C(F)(F)F ZINC000922648097 643177758 /nfs/dbraw/zinc/17/77/58/643177758.db2.gz VXXUKHFBAZAGCS-SNVBAGLBSA-N 1 2 268.242 2.268 20 30 CEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2=CCCC2)CC1 ZINC001004419609 643285644 /nfs/dbraw/zinc/28/56/44/643285644.db2.gz LNPPXBROXWEQHS-INIZCTEOSA-N 1 2 287.407 2.323 20 30 CEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2=CCCC2)CC1 ZINC001004419609 643285655 /nfs/dbraw/zinc/28/56/55/643285655.db2.gz LNPPXBROXWEQHS-INIZCTEOSA-N 1 2 287.407 2.323 20 30 CEEDLO CC1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCC1 ZINC001004506446 643313444 /nfs/dbraw/zinc/31/34/44/643313444.db2.gz LCBSWHOKJISXOE-HNNXBMFYSA-N 1 2 289.423 2.403 20 30 CEEDLO CC1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCC1 ZINC001004506446 643313447 /nfs/dbraw/zinc/31/34/47/643313447.db2.gz LCBSWHOKJISXOE-HNNXBMFYSA-N 1 2 289.423 2.403 20 30 CEEDLO Cc1nc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)co1 ZINC000852210932 643354284 /nfs/dbraw/zinc/35/42/84/643354284.db2.gz NABNAARYOZTGOH-HNNXBMFYSA-N 1 2 271.320 2.020 20 30 CEEDLO Cc1nc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)co1 ZINC000852210932 643354288 /nfs/dbraw/zinc/35/42/88/643354288.db2.gz NABNAARYOZTGOH-HNNXBMFYSA-N 1 2 271.320 2.020 20 30 CEEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](C)CCn1cccn1)C(=O)OCC ZINC000877671555 650844000 /nfs/dbraw/zinc/84/40/00/650844000.db2.gz KPYCJWBWMWIKMU-QWHCGFSZSA-N 1 2 299.802 2.326 20 30 CEEDLO C#CCC[N@@H+](CCOC)Cc1ccn(C2CCCC2)n1 ZINC000852752021 643535918 /nfs/dbraw/zinc/53/59/18/643535918.db2.gz LPYHNLOJLRECLD-UHFFFAOYSA-N 1 2 275.396 2.470 20 30 CEEDLO C#CCC[N@H+](CCOC)Cc1ccn(C2CCCC2)n1 ZINC000852752021 643535924 /nfs/dbraw/zinc/53/59/24/643535924.db2.gz LPYHNLOJLRECLD-UHFFFAOYSA-N 1 2 275.396 2.470 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757417 643539513 /nfs/dbraw/zinc/53/95/13/643539513.db2.gz UIOJKNKJJLMKIR-VWYCJHECSA-N 1 2 291.317 2.068 20 30 CEEDLO C#CCCCOc1cccnc1NCCn1cc[nH+]c1 ZINC000853091032 643649412 /nfs/dbraw/zinc/64/94/12/643649412.db2.gz YFAKPXACEHJCMQ-UHFFFAOYSA-N 1 2 270.336 2.182 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccnc(Cl)c2)[C@H]2CCCCN12 ZINC000853395319 643762673 /nfs/dbraw/zinc/76/26/73/643762673.db2.gz STTHTTYZCFIUHQ-LLVKDONJSA-N 1 2 278.743 2.288 20 30 CEEDLO C=CC[N@H+](Cn1ccc(Br)n1)[C@H](C)COC ZINC000853535388 643804324 /nfs/dbraw/zinc/80/43/24/643804324.db2.gz TXAMELJMCOVDPQ-SNVBAGLBSA-N 1 2 288.189 2.126 20 30 CEEDLO C=CC[N@@H+](Cn1ccc(Br)n1)[C@H](C)COC ZINC000853535388 643804328 /nfs/dbraw/zinc/80/43/28/643804328.db2.gz TXAMELJMCOVDPQ-SNVBAGLBSA-N 1 2 288.189 2.126 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCCc1ncn(C)n1 ZINC000853708123 643871631 /nfs/dbraw/zinc/87/16/31/643871631.db2.gz FMOLTBNVTYESAN-UHFFFAOYSA-N 1 2 299.378 2.047 20 30 CEEDLO C#C[C@](C)(CC)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000854702657 644139970 /nfs/dbraw/zinc/13/99/70/644139970.db2.gz VRXKAOSGMUHOSH-GOSISDBHSA-N 1 2 295.386 2.392 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)OC ZINC000839167430 644176768 /nfs/dbraw/zinc/17/67/68/644176768.db2.gz DHFXRXZKWRSXPP-IPYPFGDCSA-N 1 2 259.349 2.333 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(=O)OC ZINC000839168152 644177789 /nfs/dbraw/zinc/17/77/89/644177789.db2.gz ISJZBZXOGPBHJB-XHSDSOJGSA-N 1 2 271.360 2.477 20 30 CEEDLO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000877831550 650926563 /nfs/dbraw/zinc/92/65/63/650926563.db2.gz YWIMZYXMWFKNHS-SNVBAGLBSA-N 1 2 278.377 2.251 20 30 CEEDLO CN(C)c1cc(COC(=O)c2ccc(C#N)s2)cc[nH+]1 ZINC000755901600 644578518 /nfs/dbraw/zinc/57/85/18/644578518.db2.gz HBRFZMJCOJWTHY-UHFFFAOYSA-N 1 2 287.344 2.438 20 30 CEEDLO CN(C)c1cc(COC(=O)c2sccc2C#N)cc[nH+]1 ZINC000755907209 644578755 /nfs/dbraw/zinc/57/87/55/644578755.db2.gz QMQKRLLAICVSAB-UHFFFAOYSA-N 1 2 287.344 2.438 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000877932299 650950665 /nfs/dbraw/zinc/95/06/65/650950665.db2.gz PBBJFSWEMKPWTD-CYBMUJFWSA-N 1 2 293.363 2.253 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000877932299 650950668 /nfs/dbraw/zinc/95/06/68/650950668.db2.gz PBBJFSWEMKPWTD-CYBMUJFWSA-N 1 2 293.363 2.253 20 30 CEEDLO C=CCCCS(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC000857899920 645002321 /nfs/dbraw/zinc/00/23/21/645002321.db2.gz SNQJQSCPKANAMC-LLVKDONJSA-N 1 2 266.366 2.129 20 30 CEEDLO C=CCOc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857977671 645030297 /nfs/dbraw/zinc/03/02/97/645030297.db2.gz XLPFVAMDYJROHM-HNNXBMFYSA-N 1 2 297.358 2.252 20 30 CEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981629 645033767 /nfs/dbraw/zinc/03/37/67/645033767.db2.gz HSPXXQJCGJPSPI-CABCVRRESA-N 1 2 294.358 2.217 20 30 CEEDLO Cc1c[nH+]c2c(c1)N(C(=O)CCCCC#N)CCN2 ZINC000858002247 645045845 /nfs/dbraw/zinc/04/58/45/645045845.db2.gz QFBAVDZAIXPUNG-UHFFFAOYSA-N 1 2 258.325 2.233 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cncc2ccccc21 ZINC000759867865 645086079 /nfs/dbraw/zinc/08/60/79/645086079.db2.gz QIBGVQCSUJGKEB-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cncc2ccccc21 ZINC000759867865 645086082 /nfs/dbraw/zinc/08/60/82/645086082.db2.gz QIBGVQCSUJGKEB-INIZCTEOSA-N 1 2 279.343 2.271 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000878044112 650982183 /nfs/dbraw/zinc/98/21/83/650982183.db2.gz MOKGWIUSQWKMTF-ZDUSSCGKSA-N 1 2 297.395 2.158 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1C[C@@H](O)C1 ZINC000858802309 645260396 /nfs/dbraw/zinc/26/03/96/645260396.db2.gz BWUMDLARHGCXAN-BETUJISGSA-N 1 2 260.337 2.057 20 30 CEEDLO C#CC[C@H](CCOC)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000858856339 645271772 /nfs/dbraw/zinc/27/17/72/645271772.db2.gz CTPOZOJYNZYCBB-CQSZACIVSA-N 1 2 288.395 2.307 20 30 CEEDLO C#CC[C@H](CCOC)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000858856339 645271775 /nfs/dbraw/zinc/27/17/75/645271775.db2.gz CTPOZOJYNZYCBB-CQSZACIVSA-N 1 2 288.395 2.307 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1C#N ZINC000859260901 645440550 /nfs/dbraw/zinc/44/05/50/645440550.db2.gz GNFMSWRMFVVHQL-INIZCTEOSA-N 1 2 270.332 2.148 20 30 CEEDLO Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1C#N ZINC000859260901 645440554 /nfs/dbraw/zinc/44/05/54/645440554.db2.gz GNFMSWRMFVVHQL-INIZCTEOSA-N 1 2 270.332 2.148 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](CCC#N)C[C@]2(C)C1 ZINC000860033806 645680808 /nfs/dbraw/zinc/68/08/08/645680808.db2.gz JPKHNKFVTUHZDH-IYBDPMFKSA-N 1 2 293.411 2.479 20 30 CEEDLO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](CCC#N)C[C@]2(C)C1 ZINC000860033806 645680814 /nfs/dbraw/zinc/68/08/14/645680814.db2.gz JPKHNKFVTUHZDH-IYBDPMFKSA-N 1 2 293.411 2.479 20 30 CEEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cn[nH]c1)c1ccccc1 ZINC000878263868 651048115 /nfs/dbraw/zinc/04/81/15/651048115.db2.gz 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/nfs/dbraw/zinc/08/28/29/647082829.db2.gz SAMZRNDRBFGLPK-MRXNPFEDSA-N 1 2 295.342 2.280 20 30 CEEDLO CC(C)n1ncnc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000865452552 647300131 /nfs/dbraw/zinc/30/01/31/647300131.db2.gz SJYKNKWHUQJWMY-UHFFFAOYSA-N 1 2 285.351 2.051 20 30 CEEDLO CC[N@H+](C)[C@H](C(=O)OC[C@@H](C)C#N)c1ccccc1 ZINC000780446326 647428962 /nfs/dbraw/zinc/42/89/62/647428962.db2.gz DKRBOZQMEPKHHI-JSGCOSHPSA-N 1 2 260.337 2.382 20 30 CEEDLO CC[N@@H+](C)[C@H](C(=O)OC[C@@H](C)C#N)c1ccccc1 ZINC000780446326 647428964 /nfs/dbraw/zinc/42/89/64/647428964.db2.gz DKRBOZQMEPKHHI-JSGCOSHPSA-N 1 2 260.337 2.382 20 30 CEEDLO N#Cc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)nc1 ZINC000780611661 647450829 /nfs/dbraw/zinc/45/08/29/647450829.db2.gz SHZUEMVTUBVBBJ-UHFFFAOYSA-N 1 2 280.335 2.177 20 30 CEEDLO N#Cc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)nc1 ZINC000780611661 647450834 /nfs/dbraw/zinc/45/08/34/647450834.db2.gz SHZUEMVTUBVBBJ-UHFFFAOYSA-N 1 2 280.335 2.177 20 30 CEEDLO N#Cc1ccc(C2(C(=O)OCCn3cc[nH+]c3)CC2)cc1 ZINC000781400782 647524038 /nfs/dbraw/zinc/52/40/38/647524038.db2.gz TZBVKYQPUALASX-UHFFFAOYSA-N 1 2 281.315 2.030 20 30 CEEDLO CC(C)(C#N)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000782932159 647664250 /nfs/dbraw/zinc/66/42/50/647664250.db2.gz IMGUYIXPZZDUAC-UHFFFAOYSA-N 1 2 282.347 2.428 20 30 CEEDLO C[C@@H]1C[C@@H](CO[NH+]=C(N)c2ccc(F)cc2)CCO1 ZINC000783011680 647670186 /nfs/dbraw/zinc/67/01/86/647670186.db2.gz UUJISEUHIRIOJG-MNOVXSKESA-N 1 2 266.316 2.278 20 30 CEEDLO CCN(CC[NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866254695 647698318 /nfs/dbraw/zinc/69/83/18/647698318.db2.gz WDANKKSPQDRQEA-LBPRGKRZSA-N 1 2 273.380 2.399 20 30 CEEDLO Cc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)on1 ZINC000866261944 647702146 /nfs/dbraw/zinc/70/21/46/647702146.db2.gz YSCGURKTNFLPSV-SNVBAGLBSA-N 1 2 257.293 2.411 20 30 CEEDLO C[C@H]([NH2+]CC1(CCO)CCC1)c1cccc(C#N)c1O ZINC000866306366 647727796 /nfs/dbraw/zinc/72/77/96/647727796.db2.gz GGAOALYBLSCGGW-LBPRGKRZSA-N 1 2 274.364 2.467 20 30 CEEDLO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866325204 647736938 /nfs/dbraw/zinc/73/69/38/647736938.db2.gz YTVOCECVQJZIRN-NSHDSACASA-N 1 2 289.379 2.077 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(C#N)c1O ZINC000866344099 647746560 /nfs/dbraw/zinc/74/65/60/647746560.db2.gz SLQAHQUMCKVVRJ-WCQYABFASA-N 1 2 282.347 2.126 20 30 CEEDLO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866370139 647761387 /nfs/dbraw/zinc/76/13/87/647761387.db2.gz RRJBOEDGXRSQBN-AAEUAGOBSA-N 1 2 260.337 2.242 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1O ZINC000866377775 647764106 /nfs/dbraw/zinc/76/41/06/647764106.db2.gz XSYOOQNOOYGVPQ-ZYHUDNBSSA-N 1 2 295.333 2.254 20 30 CEEDLO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866389111 647769486 /nfs/dbraw/zinc/76/94/86/647769486.db2.gz PVGLHJUYYMVEIJ-DRZSPHRISA-N 1 2 260.337 2.482 20 30 CEEDLO CCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866394053 647771084 /nfs/dbraw/zinc/77/10/84/647771084.db2.gz SLUJGSKENAFVNM-TZMCWYRMSA-N 1 2 273.380 2.399 20 30 CEEDLO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866634526 647849419 /nfs/dbraw/zinc/84/94/19/647849419.db2.gz RZLXHOIFFKFKAH-GMXVVIOVSA-N 1 2 262.353 2.464 20 30 CEEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCC#N)cn1 ZINC000787299046 648096564 /nfs/dbraw/zinc/09/65/64/648096564.db2.gz VTTPHFUFOFYPJV-UHFFFAOYSA-N 1 2 276.340 2.432 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000788657489 648212040 /nfs/dbraw/zinc/21/20/40/648212040.db2.gz FGLKMYYIOLYNSQ-UHFFFAOYSA-N 1 2 287.294 2.132 20 30 CEEDLO C#CCOc1cc(F)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000788657489 648212045 /nfs/dbraw/zinc/21/20/45/648212045.db2.gz FGLKMYYIOLYNSQ-UHFFFAOYSA-N 1 2 287.294 2.132 20 30 CEEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cn2cccnc2n1 ZINC000791429199 648523496 /nfs/dbraw/zinc/52/34/96/648523496.db2.gz ZFIOKQVMWIMFLJ-WAYWQWQTSA-N 1 2 289.298 2.273 20 30 CEEDLO N#Cc1ccc(SCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791841530 648573969 /nfs/dbraw/zinc/57/39/69/648573969.db2.gz FVTHYBMTDNAAED-UHFFFAOYSA-N 1 2 299.355 2.371 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792280440 648634592 /nfs/dbraw/zinc/63/45/92/648634592.db2.gz PKCDFRUKGSGPGV-OCCSQVGLSA-N 1 2 262.353 2.098 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792280440 648634594 /nfs/dbraw/zinc/63/45/94/648634594.db2.gz PKCDFRUKGSGPGV-OCCSQVGLSA-N 1 2 262.353 2.098 20 30 CEEDLO N#Cc1ccc2ncc(C[NH+]3CCC(F)(F)CC3)n2c1 ZINC000793361569 648745786 /nfs/dbraw/zinc/74/57/86/648745786.db2.gz JLNKWALEVMXDBE-UHFFFAOYSA-N 1 2 276.290 2.437 20 30 CEEDLO C#CCOc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000793465941 648762936 /nfs/dbraw/zinc/76/29/36/648762936.db2.gz KKYSLRUKNZWOSY-UHFFFAOYSA-N 1 2 283.331 2.003 20 30 CEEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793612129 648782253 /nfs/dbraw/zinc/78/22/53/648782253.db2.gz FIFYYWXIVKMPAM-LSDHHAIUSA-N 1 2 275.348 2.102 20 30 CEEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793612129 648782261 /nfs/dbraw/zinc/78/22/61/648782261.db2.gz FIFYYWXIVKMPAM-LSDHHAIUSA-N 1 2 275.348 2.102 20 30 CEEDLO CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCC[C@H]1C#N ZINC000870674485 648871405 /nfs/dbraw/zinc/87/14/05/648871405.db2.gz YJXITFYAHGWSOC-NWDGAFQWSA-N 1 2 268.320 2.099 20 30 CEEDLO CN(C)c1ccc(C#N)cc1C=[NH+]OCC(F)F ZINC000872366823 649369216 /nfs/dbraw/zinc/36/92/16/649369216.db2.gz JDRCEWSSXWIWSQ-UHFFFAOYSA-N 1 2 253.252 2.240 20 30 CEEDLO C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000874445676 649776247 /nfs/dbraw/zinc/77/62/47/649776247.db2.gz GCWOSBAXFDIQHE-ZIAGYGMSSA-N 1 2 281.315 2.164 20 30 CEEDLO C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000874445676 649776250 /nfs/dbraw/zinc/77/62/50/649776250.db2.gz GCWOSBAXFDIQHE-ZIAGYGMSSA-N 1 2 281.315 2.164 20 30 CEEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878502892 651114640 /nfs/dbraw/zinc/11/46/40/651114640.db2.gz JMPHWUVWEUDJAU-UHFFFAOYSA-N 1 2 289.335 2.077 20 30 CEEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878502892 651114641 /nfs/dbraw/zinc/11/46/41/651114641.db2.gz JMPHWUVWEUDJAU-UHFFFAOYSA-N 1 2 289.335 2.077 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000878770915 651182516 /nfs/dbraw/zinc/18/25/16/651182516.db2.gz XXUYYVFDYAUXHB-QWHCGFSZSA-N 1 2 267.369 2.138 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000878770915 651182517 /nfs/dbraw/zinc/18/25/17/651182517.db2.gz XXUYYVFDYAUXHB-QWHCGFSZSA-N 1 2 267.369 2.138 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CC1 ZINC000879226028 651264761 /nfs/dbraw/zinc/26/47/61/651264761.db2.gz IVBYATITIOSQQN-NEPJUHHUSA-N 1 2 279.384 2.278 20 30 CEEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1(C#N)CC1 ZINC000879226028 651264763 /nfs/dbraw/zinc/26/47/63/651264763.db2.gz IVBYATITIOSQQN-NEPJUHHUSA-N 1 2 279.384 2.278 20 30 CEEDLO Cn1nc(C2CC2)nc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432875 651303330 /nfs/dbraw/zinc/30/33/30/651303330.db2.gz PPMRDLXNQZJYOB-UHFFFAOYSA-N 1 2 295.390 2.239 20 30 CEEDLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432875 651303333 /nfs/dbraw/zinc/30/33/33/651303333.db2.gz PPMRDLXNQZJYOB-UHFFFAOYSA-N 1 2 295.390 2.239 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879480761 651309766 /nfs/dbraw/zinc/30/97/66/651309766.db2.gz YWJMFCGXGNTLFA-WMLDXEAASA-N 1 2 288.366 2.085 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879480761 651309767 /nfs/dbraw/zinc/30/97/67/651309767.db2.gz YWJMFCGXGNTLFA-WMLDXEAASA-N 1 2 288.366 2.085 20 30 CEEDLO COc1ccc([C@@H]2C[N@H+](CCCC#N)CCO2)cc1 ZINC000879630687 651333428 /nfs/dbraw/zinc/33/34/28/651333428.db2.gz GEMSZWJTAKUIDI-HNNXBMFYSA-N 1 2 260.337 2.372 20 30 CEEDLO COc1ccc([C@@H]2C[N@@H+](CCCC#N)CCO2)cc1 ZINC000879630687 651333429 /nfs/dbraw/zinc/33/34/29/651333429.db2.gz GEMSZWJTAKUIDI-HNNXBMFYSA-N 1 2 260.337 2.372 20 30 CEEDLO 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1 2 298.390 2.332 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@H]1C ZINC001088492886 806312383 /nfs/dbraw/zinc/31/23/83/806312383.db2.gz MHAPZNZTHOUVNT-PWSUYJOCSA-N 1 2 297.761 2.166 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)[C@H]1C ZINC001088492886 806312391 /nfs/dbraw/zinc/31/23/91/806312391.db2.gz MHAPZNZTHOUVNT-PWSUYJOCSA-N 1 2 297.761 2.166 20 30 CEEDLO C=CCCC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105647912 806681255 /nfs/dbraw/zinc/68/12/55/806681255.db2.gz TWYPUODDNPZDQF-KBPBESRZSA-N 1 2 288.395 2.448 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCCC)CC2)C1 ZINC001105686386 806887896 /nfs/dbraw/zinc/88/78/96/806887896.db2.gz VSEMFWJGWPHHDY-UHFFFAOYSA-N 1 2 294.439 2.445 20 30 CEEDLO N#Cc1cc(F)cc(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC001139875949 802314583 /nfs/dbraw/zinc/31/45/83/802314583.db2.gz IOOKPBQBIRMZMM-UHFFFAOYSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1cc(F)cc(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC001139875949 802314592 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C=C(C)CCC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098555692 802939647 /nfs/dbraw/zinc/93/96/47/802939647.db2.gz YACHKPMDSSZHMD-AWEZNQCLSA-N 1 2 288.395 2.402 20 30 CEEDLO C=CCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001266925824 803001786 /nfs/dbraw/zinc/00/17/86/803001786.db2.gz TURZDSWFGWKXPM-GHMZBOCLSA-N 1 2 292.383 2.069 20 30 CEEDLO C=CCC[C@H](C)[N@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198169 803221846 /nfs/dbraw/zinc/22/18/46/803221846.db2.gz GQUPNYGDBBZHPA-VHSXEESVSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C(F)C(F)(F)F ZINC001267198169 803221850 /nfs/dbraw/zinc/22/18/50/803221850.db2.gz GQUPNYGDBBZHPA-VHSXEESVSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001267198169 803221852 /nfs/dbraw/zinc/22/18/52/803221852.db2.gz GQUPNYGDBBZHPA-VHSXEESVSA-N 1 2 284.297 2.290 20 30 CEEDLO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001267198169 803221855 /nfs/dbraw/zinc/22/18/55/803221855.db2.gz 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807925301 /nfs/dbraw/zinc/92/53/01/807925301.db2.gz RMHLANUERHIIRC-UHFFFAOYSA-N 1 2 270.332 2.423 20 30 CEEDLO C=CCC(CC=C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094610003 815160653 /nfs/dbraw/zinc/16/06/53/815160653.db2.gz HTYCIYZYGGEBBN-UHFFFAOYSA-N 1 2 288.395 2.472 20 30 CEEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C3CCCC3)no2)C1 ZINC001031408762 807948490 /nfs/dbraw/zinc/94/84/90/807948490.db2.gz RVHRZEOBNLYYKK-UHFFFAOYSA-N 1 2 289.379 2.322 20 30 CEEDLO C=CCCC1(C(=O)NCCCNc2cc[nH+]c(C)n2)CC1 ZINC001094755755 815172151 /nfs/dbraw/zinc/17/21/51/815172151.db2.gz FEQAHTLTKXYRKI-UHFFFAOYSA-N 1 2 288.395 2.450 20 30 CEEDLO C=CCn1cccc1C(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001031731259 808088409 /nfs/dbraw/zinc/08/84/09/808088409.db2.gz QKOWLLGIBSYHHL-UHFFFAOYSA-N 1 2 293.798 2.088 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCC2)cc1 ZINC001032434423 808612897 /nfs/dbraw/zinc/61/28/97/808612897.db2.gz GJBOMYPRMYBMET-ROUUACIJSA-N 1 2 294.398 2.486 20 30 CEEDLO 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/nfs/dbraw/zinc/98/46/00/810984600.db2.gz IKGHJJGVLPVLBV-LLVKDONJSA-N 1 2 279.409 2.257 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996714 810999529 /nfs/dbraw/zinc/99/95/29/810999529.db2.gz VYOCSXAIAIUYTQ-LLVKDONJSA-N 1 2 279.409 2.038 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996714 810999532 /nfs/dbraw/zinc/99/95/32/810999532.db2.gz VYOCSXAIAIUYTQ-LLVKDONJSA-N 1 2 279.409 2.038 20 30 CEEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)C1CC1 ZINC001122488399 815417138 /nfs/dbraw/zinc/41/71/38/815417138.db2.gz WMZUWSGLTWJLTD-UHFFFAOYSA-N 1 2 275.400 2.049 20 30 CEEDLO C=C(C)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC001155661671 811112907 /nfs/dbraw/zinc/11/29/07/811112907.db2.gz BOUYHOOBONNAHQ-UHFFFAOYSA-N 1 2 250.371 2.018 20 30 CEEDLO C=C(C)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC001155661671 811112914 /nfs/dbraw/zinc/11/29/14/811112914.db2.gz BOUYHOOBONNAHQ-UHFFFAOYSA-N 1 2 250.371 2.018 20 30 CEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H](C)CC)C1 ZINC001108298257 811214372 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C#CCC[NH+]1CC(N(C)C(=O)c2nsc3ccccc32)C1 ZINC001042765845 811328784 /nfs/dbraw/zinc/32/87/84/811328784.db2.gz HCAWUIJYTBLJJX-UHFFFAOYSA-N 1 2 299.399 2.076 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2CCC)C1 ZINC001043296794 811362843 /nfs/dbraw/zinc/36/28/43/811362843.db2.gz FXVPQSSICTXIJB-UHFFFAOYSA-N 1 2 284.403 2.419 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001043356231 811368614 /nfs/dbraw/zinc/36/86/14/811368614.db2.gz YTYUDOKRDIJBRE-UHFFFAOYSA-N 1 2 273.380 2.031 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001043419008 811372413 /nfs/dbraw/zinc/37/24/13/811372413.db2.gz GLVVOYWVXLGHFR-UHFFFAOYSA-N 1 2 273.380 2.031 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)nc2C(C)C)C1 ZINC001043491462 811377766 /nfs/dbraw/zinc/37/77/66/811377766.db2.gz ORPANINZQYVFFH-UHFFFAOYSA-N 1 2 299.418 2.293 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001043839328 811411721 /nfs/dbraw/zinc/41/17/21/811411721.db2.gz AAXRORJWHOYEHA-LLVKDONJSA-N 1 2 272.339 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001043839332 811412471 /nfs/dbraw/zinc/41/24/71/811412471.db2.gz AAXRORJWHOYEHA-NSHDSACASA-N 1 2 272.339 2.141 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)c(F)c2F)C1 ZINC001043953280 811418722 /nfs/dbraw/zinc/41/87/22/811418722.db2.gz AOYWHBNDLQIRRV-UHFFFAOYSA-N 1 2 292.329 2.053 20 30 CEEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC(C)C ZINC001122827224 815446606 /nfs/dbraw/zinc/44/66/06/815446606.db2.gz SMZRFDGZUNHHGT-KGLIPLIRSA-N 1 2 289.427 2.159 20 30 CEEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CC(C)C ZINC001122827224 815446609 /nfs/dbraw/zinc/44/66/09/815446609.db2.gz SMZRFDGZUNHHGT-KGLIPLIRSA-N 1 2 289.427 2.159 20 30 CEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](CC(=C)C)C2)cc1 ZINC001044014274 811427593 /nfs/dbraw/zinc/42/75/93/811427593.db2.gz QJWRTRJOROTFJO-UHFFFAOYSA-N 1 2 298.386 2.031 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001044145310 811444730 /nfs/dbraw/zinc/44/47/30/811444730.db2.gz LXSKVZLEQJIPHM-UHFFFAOYSA-N 1 2 287.407 2.226 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001044256200 811463295 /nfs/dbraw/zinc/46/32/95/811463295.db2.gz IRMBAWUEDQZFAW-UHFFFAOYSA-N 1 2 258.365 2.246 20 30 CEEDLO Cn1ccc2c[nH+]c(NC=CC(=O)C(F)(F)F)nc21 ZINC001169476658 811541865 /nfs/dbraw/zinc/54/18/65/811541865.db2.gz HRWDFPLIVUZOCG-DUXPYHPUSA-N 1 2 270.214 2.025 20 30 CEEDLO CCOC(=O)N1CCC[C@H]([NH2+][C@](C)(C#N)CC)CC1 ZINC001169660022 811610857 /nfs/dbraw/zinc/61/08/57/811610857.db2.gz WIALBUHVUXYIDK-JSGCOSHPSA-N 1 2 267.373 2.279 20 30 CEEDLO C[N@@H+]1CCc2ncnc(NC34CCC(C#N)(CC3)CC4)c2C1 ZINC001169747972 811646622 /nfs/dbraw/zinc/64/66/22/811646622.db2.gz JNTMOKRLVKJYDV-UHFFFAOYSA-N 1 2 297.406 2.493 20 30 CEEDLO C[N@H+]1CCc2ncnc(NC34CCC(C#N)(CC3)CC4)c2C1 ZINC001169747972 811646629 /nfs/dbraw/zinc/64/66/29/811646629.db2.gz JNTMOKRLVKJYDV-UHFFFAOYSA-N 1 2 297.406 2.493 20 30 CEEDLO C[N@H+](CCC#N)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169759455 811657487 /nfs/dbraw/zinc/65/74/87/811657487.db2.gz LYGTUNDWRCIJRC-OAHLLOKOSA-N 1 2 271.364 2.137 20 30 CEEDLO C[N@@H+](CCC#N)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169759455 811657488 /nfs/dbraw/zinc/65/74/88/811657488.db2.gz LYGTUNDWRCIJRC-OAHLLOKOSA-N 1 2 271.364 2.137 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(F)nc2)C1 ZINC001046193897 811703320 /nfs/dbraw/zinc/70/33/20/811703320.db2.gz JDOVHMWWAXOJOH-AWEZNQCLSA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(F)nc2)C1 ZINC001046193897 811703327 /nfs/dbraw/zinc/70/33/27/811703327.db2.gz JDOVHMWWAXOJOH-AWEZNQCLSA-N 1 2 297.761 2.167 20 30 CEEDLO CCCC[N@H+](CC#N)[C@H]1CCCC2(C1)OCCO2 ZINC001169954959 811724440 /nfs/dbraw/zinc/72/44/40/811724440.db2.gz FVDNGKOGRQHTMS-ZDUSSCGKSA-N 1 2 252.358 2.298 20 30 CEEDLO CCCC[N@@H+](CC#N)[C@H]1CCCC2(C1)OCCO2 ZINC001169954959 811724443 /nfs/dbraw/zinc/72/44/43/811724443.db2.gz FVDNGKOGRQHTMS-ZDUSSCGKSA-N 1 2 252.358 2.298 20 30 CEEDLO C=CC[C@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC ZINC001169976501 811812322 /nfs/dbraw/zinc/81/23/22/811812322.db2.gz GRUNTMUWTYKAGK-LBPRGKRZSA-N 1 2 284.400 2.105 20 30 CEEDLO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2n[nH]c3ccccc32)C1 ZINC001046812533 811822410 /nfs/dbraw/zinc/82/24/10/811822410.db2.gz WJKAZQXLDYMZFG-QGZVFWFLSA-N 1 2 298.390 2.333 20 30 CEEDLO CCCC[N@H+](CC#N)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172632014 815479364 /nfs/dbraw/zinc/47/93/64/815479364.db2.gz QLKSCRWJSHQTDT-CHWSQXEVSA-N 1 2 252.358 2.344 20 30 CEEDLO CCCC[N@@H+](CC#N)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172632014 815479366 /nfs/dbraw/zinc/47/93/66/815479366.db2.gz QLKSCRWJSHQTDT-CHWSQXEVSA-N 1 2 252.358 2.344 20 30 CEEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096224407 811885236 /nfs/dbraw/zinc/88/52/36/811885236.db2.gz JQTXAQJXXMKQPI-CQSZACIVSA-N 1 2 288.395 2.226 20 30 CEEDLO N#Cc1cc(F)c(Cl)nc1NCc1cc[nH+]c(N)c1 ZINC001156755515 811900156 /nfs/dbraw/zinc/90/01/56/811900156.db2.gz DYFDOXHYOWEFPP-UHFFFAOYSA-N 1 2 277.690 2.335 20 30 CEEDLO C=CCCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001123180733 815485711 /nfs/dbraw/zinc/48/57/11/815485711.db2.gz QXEQWUYXKOHNNQ-YPMHNXCESA-N 1 2 274.368 2.153 20 30 CEEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)[C@@H]1CCCO1 ZINC000772258051 811986178 /nfs/dbraw/zinc/98/61/78/811986178.db2.gz RYCQUEAPMJMJOR-STQMWFEESA-N 1 2 299.378 2.174 20 30 CEEDLO C=CCOCC[NH+]1CCN(C(=O)c2sccc2C)CC1 ZINC001112597857 812012433 /nfs/dbraw/zinc/01/24/33/812012433.db2.gz YJHGZUWYRPFNOZ-UHFFFAOYSA-N 1 2 294.420 2.017 20 30 CEEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001112801514 812069207 /nfs/dbraw/zinc/06/92/07/812069207.db2.gz VMIVFDSMXSXIMR-UHFFFAOYSA-N 1 2 295.386 2.006 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCCc2ccc(F)cc2)CC1 ZINC001113379487 812230270 /nfs/dbraw/zinc/23/02/70/812230270.db2.gz YIVZUASNHPKVFH-UHFFFAOYSA-N 1 2 290.382 2.479 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001113560539 812278136 /nfs/dbraw/zinc/27/81/36/812278136.db2.gz RINMJGWYSKRUDN-CQSZACIVSA-N 1 2 252.402 2.389 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097099231 812326983 /nfs/dbraw/zinc/32/69/83/812326983.db2.gz YTOBSFSDGUKJDN-XEZPLFJOSA-N 1 2 288.395 2.446 20 30 CEEDLO CCOC(=O)[C@H](C#N)Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001170369096 812395935 /nfs/dbraw/zinc/39/59/35/812395935.db2.gz LJPQGKHMJFVODE-HNNXBMFYSA-N 1 2 299.374 2.253 20 30 CEEDLO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001172799191 815532079 /nfs/dbraw/zinc/53/20/79/815532079.db2.gz SWNUZTDAKVUOOI-HZSPNIEDSA-N 1 2 264.369 2.486 20 30 CEEDLO COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001172799191 815532082 /nfs/dbraw/zinc/53/20/82/815532082.db2.gz SWNUZTDAKVUOOI-HZSPNIEDSA-N 1 2 264.369 2.486 20 30 CEEDLO COC(=O)C1([NH2+][C@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC001254637128 812502041 /nfs/dbraw/zinc/50/20/41/812502041.db2.gz PCYAAJCSPQWNFN-NEPJUHHUSA-N 1 2 250.342 2.144 20 30 CEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001131899513 812749182 /nfs/dbraw/zinc/74/91/82/812749182.db2.gz NAWNPYSGWJARBL-JSGCOSHPSA-N 1 2 291.395 2.418 20 30 CEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001131899513 812749189 /nfs/dbraw/zinc/74/91/89/812749189.db2.gz NAWNPYSGWJARBL-JSGCOSHPSA-N 1 2 291.395 2.418 20 30 CEEDLO Cn1ncc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001212694930 815560759 /nfs/dbraw/zinc/56/07/59/815560759.db2.gz FEHRBUYPJUDWLT-UHFFFAOYSA-N 1 2 278.319 2.280 20 30 CEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1C ZINC001050905870 812875012 /nfs/dbraw/zinc/87/50/12/812875012.db2.gz IPDYVPCGIXXARL-ZDUSSCGKSA-N 1 2 294.420 2.063 20 30 CEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccsc1C ZINC001050905870 812875019 /nfs/dbraw/zinc/87/50/19/812875019.db2.gz IPDYVPCGIXXARL-ZDUSSCGKSA-N 1 2 294.420 2.063 20 30 CEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001132576010 812897261 /nfs/dbraw/zinc/89/72/61/812897261.db2.gz GMNVXEUIJUCTLJ-CHWSQXEVSA-N 1 2 293.411 2.462 20 30 CEEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132651123 812919223 /nfs/dbraw/zinc/91/92/23/812919223.db2.gz SGAYSQREBRIOIH-GFCCVEGCSA-N 1 2 291.395 2.360 20 30 CEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2ncncc2C)C1 ZINC001255177618 813027426 /nfs/dbraw/zinc/02/74/26/813027426.db2.gz WJMQAPRWGBPIPA-KBPBESRZSA-N 1 2 274.368 2.321 20 30 CEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2ncncc2C)C1 ZINC001255177618 813027429 /nfs/dbraw/zinc/02/74/29/813027429.db2.gz WJMQAPRWGBPIPA-KBPBESRZSA-N 1 2 274.368 2.321 20 30 CEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2ncc(CC)o2)CC1 ZINC001133375978 813045462 /nfs/dbraw/zinc/04/54/62/813045462.db2.gz QOZGJQOXCCFWSL-UHFFFAOYSA-N 1 2 291.395 2.189 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cscn2)CC[C@H]1C ZINC001071377801 813382893 /nfs/dbraw/zinc/38/28/93/813382893.db2.gz GKHRNSPKHCSIHW-MNOVXSKESA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cscn2)CC[C@H]1C ZINC001071377801 813382895 /nfs/dbraw/zinc/38/28/95/813382895.db2.gz GKHRNSPKHCSIHW-MNOVXSKESA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2C)CC[C@@H]1C ZINC001071720563 813470533 /nfs/dbraw/zinc/47/05/33/813470533.db2.gz CSQPFHWUAGRNSN-CMPLNLGQSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2C)CC[C@@H]1C ZINC001071720563 813470537 /nfs/dbraw/zinc/47/05/37/813470537.db2.gz CSQPFHWUAGRNSN-CMPLNLGQSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001074174192 813812773 /nfs/dbraw/zinc/81/27/73/813812773.db2.gz MUWBOOCRZFYEOD-JKSUJKDBSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001074174192 813812783 /nfs/dbraw/zinc/81/27/83/813812783.db2.gz MUWBOOCRZFYEOD-JKSUJKDBSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)(F)F)C1 ZINC001098691668 813937900 /nfs/dbraw/zinc/93/79/00/813937900.db2.gz NHZOZQCZSJFDOJ-GWCFXTLKSA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)(F)F)C1 ZINC001098691668 813937905 /nfs/dbraw/zinc/93/79/05/813937905.db2.gz NHZOZQCZSJFDOJ-GWCFXTLKSA-N 1 2 292.757 2.365 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CC[C@@]1(O)C(F)(F)F ZINC001144074084 813945598 /nfs/dbraw/zinc/94/55/98/813945598.db2.gz BYZHTVXYALIZOH-MFKMUULPSA-N 1 2 299.296 2.088 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CC[C@@]1(O)C(F)(F)F ZINC001144074084 813945601 /nfs/dbraw/zinc/94/56/01/813945601.db2.gz BYZHTVXYALIZOH-MFKMUULPSA-N 1 2 299.296 2.088 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(C)C ZINC001171178293 814058929 /nfs/dbraw/zinc/05/89/29/814058929.db2.gz FCKLRXGKVCAFGU-WFASDCNBSA-N 1 2 274.364 2.276 20 30 CEEDLO Cc1cc2cc(NC(=[NH2+])c3ccc(C(N)=O)cc3)ncc2[nH]1 ZINC001171252722 814227273 /nfs/dbraw/zinc/22/72/73/814227273.db2.gz OMMLQCNQZMTSTE-UHFFFAOYSA-N 1 2 293.330 2.007 20 30 CEEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc(F)cc3cc[nH]c32)cc1 ZINC001171255531 814233103 /nfs/dbraw/zinc/23/31/03/814233103.db2.gz BLKBXDIPZUBTCB-UHFFFAOYSA-N 1 2 296.305 2.443 20 30 CEEDLO C=CCCC(=O)N1CC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001102433168 814386681 /nfs/dbraw/zinc/38/66/81/814386681.db2.gz NRQBLZRJLYKFJZ-AWEZNQCLSA-N 1 2 288.395 2.036 20 30 CEEDLO C=CCOc1ccc(C(=O)N(CC)C2C[NH+](C)C2)cc1 ZINC001148463280 814564994 /nfs/dbraw/zinc/56/49/94/814564994.db2.gz DDZXYHSFUXBRRT-UHFFFAOYSA-N 1 2 274.364 2.028 20 30 CEEDLO C=C[C@@H](C(=O)NCc1[nH]c[nH+]c1C)c1ccccc1 ZINC001148761840 814614217 /nfs/dbraw/zinc/61/42/17/814614217.db2.gz SUNQKWUVYKRDDC-CYBMUJFWSA-N 1 2 255.321 2.304 20 30 CEEDLO C[NH+]1CC(NC(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148909854 814621862 /nfs/dbraw/zinc/62/18/62/814621862.db2.gz YKRSOHOUGMGDEV-UHFFFAOYSA-N 1 2 285.391 2.312 20 30 CEEDLO C#CCOCC[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC001116717779 814877613 /nfs/dbraw/zinc/87/76/13/814877613.db2.gz IKBGPOHBXSUZCR-UHFFFAOYSA-N 1 2 287.338 2.093 20 30 CEEDLO C#CCOCC[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC001116717779 814877616 /nfs/dbraw/zinc/87/76/16/814877616.db2.gz IKBGPOHBXSUZCR-UHFFFAOYSA-N 1 2 287.338 2.093 20 30 CEEDLO CN(C)c1ncccc1CNc1cc(CC#N)cc[nH+]1 ZINC001117401842 814921297 /nfs/dbraw/zinc/92/12/97/814921297.db2.gz QAZDGSGHIQRFSU-UHFFFAOYSA-N 1 2 267.336 2.221 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095073864 815631658 /nfs/dbraw/zinc/63/16/58/815631658.db2.gz DAZROOAYKYXXHU-UONOGXRCSA-N 1 2 288.395 2.400 20 30 CEEDLO COC(=O)CCCC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173453088 815734655 /nfs/dbraw/zinc/73/46/55/815734655.db2.gz XXHLKYTWMPHGHI-YPMHNXCESA-N 1 2 297.420 2.382 20 30 CEEDLO COC(=O)CCCC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001173453088 815734656 /nfs/dbraw/zinc/73/46/56/815734656.db2.gz XXHLKYTWMPHGHI-YPMHNXCESA-N 1 2 297.420 2.382 20 30 CEEDLO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](C#N)C2)c1C ZINC001138138968 815738178 /nfs/dbraw/zinc/73/81/78/815738178.db2.gz YUPRXNGZXNZLED-LBPRGKRZSA-N 1 2 275.352 2.154 20 30 CEEDLO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](C#N)C2)c1C ZINC001138138968 815738184 /nfs/dbraw/zinc/73/81/84/815738184.db2.gz YUPRXNGZXNZLED-LBPRGKRZSA-N 1 2 275.352 2.154 20 30 CEEDLO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+](CCC#N)Cc1ccccc1 ZINC001138462181 815804552 /nfs/dbraw/zinc/80/45/52/815804552.db2.gz OPYXCIFPSXURHW-UHFFFAOYSA-N 1 2 298.346 2.112 20 30 CEEDLO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+](CCC#N)Cc1ccccc1 ZINC001138462181 815804560 /nfs/dbraw/zinc/80/45/60/815804560.db2.gz OPYXCIFPSXURHW-UHFFFAOYSA-N 1 2 298.346 2.112 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)OCC)cc1 ZINC001138559267 815827805 /nfs/dbraw/zinc/82/78/05/815827805.db2.gz INFPUSKRLWVSJK-QAPCUYQASA-N 1 2 299.370 2.226 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)OCC)cc1 ZINC001138559267 815827814 /nfs/dbraw/zinc/82/78/14/815827814.db2.gz INFPUSKRLWVSJK-QAPCUYQASA-N 1 2 299.370 2.226 20 30 CEEDLO CCCn1ncc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1C ZINC001138635157 815850407 /nfs/dbraw/zinc/85/04/07/815850407.db2.gz MCAUGVVMGPKWJJ-CQSZACIVSA-N 1 2 291.420 2.376 20 30 CEEDLO C#Cc1cc(Nc2ccc(C(=O)N3CCCC3)cc2)cc[nH+]1 ZINC001174067533 815889492 /nfs/dbraw/zinc/88/94/92/815889492.db2.gz RVHATKBQYRSFDO-UHFFFAOYSA-N 1 2 291.354 2.464 20 30 CEEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(Cl)c(C#N)c1 ZINC001174400089 815979791 /nfs/dbraw/zinc/97/97/91/815979791.db2.gz HVIYITJRPVYBAY-UHFFFAOYSA-N 1 2 290.710 2.156 20 30 CEEDLO C#CC[NH+]1CCN(Cc2c(Cl)ccnc2Cl)CC1 ZINC001139481210 816034179 /nfs/dbraw/zinc/03/41/79/816034179.db2.gz TULUJBJPUKASMK-UHFFFAOYSA-N 1 2 284.190 2.139 20 30 CEEDLO Cn1ncc2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc21 ZINC001139907772 816136825 /nfs/dbraw/zinc/13/68/25/816136825.db2.gz MPZBZICRYKPIHG-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1ncc2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc21 ZINC001139907772 816136827 /nfs/dbraw/zinc/13/68/27/816136827.db2.gz MPZBZICRYKPIHG-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110182961 816156926 /nfs/dbraw/zinc/15/69/26/816156926.db2.gz GKDJTVKTFSOGLZ-MQYQWHSLSA-N 1 2 298.814 2.052 20 30 CEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110182961 816156930 /nfs/dbraw/zinc/15/69/30/816156930.db2.gz GKDJTVKTFSOGLZ-MQYQWHSLSA-N 1 2 298.814 2.052 20 30 CEEDLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)cnc1C#N ZINC001175341684 816167249 /nfs/dbraw/zinc/16/72/49/816167249.db2.gz NCFPCXJXVUMOBZ-UHFFFAOYSA-N 1 2 253.309 2.466 20 30 CEEDLO C#Cc1cc(Nc2ccc(OCCOC)cc2)cc[nH+]1 ZINC001175784427 816283261 /nfs/dbraw/zinc/28/32/61/816283261.db2.gz RXWMSTKVIFZFIU-UHFFFAOYSA-N 1 2 268.316 2.254 20 30 CEEDLO CN(C)c1ccc(Nc2cnc(C#N)c(F)c2)c[nH+]1 ZINC001203049336 816290172 /nfs/dbraw/zinc/29/01/72/816290172.db2.gz RGWGXZKTQGVECF-UHFFFAOYSA-N 1 2 257.272 2.297 20 30 CEEDLO C=CCC[C@H]1CCC[N@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC001176771405 816476210 /nfs/dbraw/zinc/47/62/10/816476210.db2.gz LMRARXBFQOKXBN-JTQLQIEISA-N 1 2 289.305 2.166 20 30 CEEDLO C=CCC[C@H]1CCC[N@@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC001176771405 816476215 /nfs/dbraw/zinc/47/62/15/816476215.db2.gz LMRARXBFQOKXBN-JTQLQIEISA-N 1 2 289.305 2.166 20 30 CEEDLO N#Cc1c(N)sc(C[N@@H+]2CC[C@@]23CCOC3)c1Cl ZINC001141113917 816476315 /nfs/dbraw/zinc/47/63/15/816476315.db2.gz VFAISFXHJTUJNA-LBPRGKRZSA-N 1 2 283.784 2.220 20 30 CEEDLO N#Cc1c(N)sc(C[N@H+]2CC[C@@]23CCOC3)c1Cl ZINC001141113917 816476319 /nfs/dbraw/zinc/47/63/19/816476319.db2.gz VFAISFXHJTUJNA-LBPRGKRZSA-N 1 2 283.784 2.220 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917310 816499204 /nfs/dbraw/zinc/49/92/04/816499204.db2.gz GWQZSPHISBBTNK-HUUCEWRRSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917310 816499210 /nfs/dbraw/zinc/49/92/10/816499210.db2.gz GWQZSPHISBBTNK-HUUCEWRRSA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001177024078 816509663 /nfs/dbraw/zinc/50/96/63/816509663.db2.gz FCPNAZNWAACHJH-JKSUJKDBSA-N 1 2 292.423 2.221 20 30 CEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001177024078 816509669 /nfs/dbraw/zinc/50/96/69/816509669.db2.gz FCPNAZNWAACHJH-JKSUJKDBSA-N 1 2 292.423 2.221 20 30 CEEDLO C#CCCCNC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142372536 816664351 /nfs/dbraw/zinc/66/43/51/816664351.db2.gz JZAKAELTVRPQCV-MDZDMXLPSA-N 1 2 293.370 2.474 20 30 CEEDLO C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000620856458 349445180 /nfs/dbraw/zinc/44/51/80/349445180.db2.gz YXCSNXDPBHICHV-VXGBXAGGSA-N 1 2 261.369 2.385 20 30 CEEDLO COC(=O)N1CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000122262652 365625933 /nfs/dbraw/zinc/62/59/33/365625933.db2.gz IEQKOQUGBKBJNN-GDNBJRDFSA-N 1 2 262.309 2.042 20 30 CEEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601587708 346855166 /nfs/dbraw/zinc/85/51/66/346855166.db2.gz IVHRQQYYOKLZGM-MRXNPFEDSA-N 1 2 280.331 2.499 20 30 CEEDLO Cc1cc(CNC(=O)C2(C#N)CC3(CC3)C2)cc(C)[nH+]1 ZINC000601638509 346866976 /nfs/dbraw/zinc/86/69/76/346866976.db2.gz BRUKFNHNIFJMRW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/17/00/23/362170023.db2.gz UEJSMGQNXFQOJE-UHFFFAOYSA-N 1 2 271.147 2.497 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000046168261 362178063 /nfs/dbraw/zinc/17/80/63/362178063.db2.gz VKPFBOKSAIGBRU-UHFFFAOYSA-N 1 2 254.786 2.152 20 30 CEEDLO C#CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000046168261 362178065 /nfs/dbraw/zinc/17/80/65/362178065.db2.gz VKPFBOKSAIGBRU-UHFFFAOYSA-N 1 2 254.786 2.152 20 30 CEEDLO N#Cc1cccc(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000025525953 343386624 /nfs/dbraw/zinc/38/66/24/343386624.db2.gz XWNSDMAJDZXPSV-UHFFFAOYSA-N 1 2 290.326 2.178 20 30 CEEDLO CN1CCCC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1=O ZINC000601968388 346946025 /nfs/dbraw/zinc/94/60/25/346946025.db2.gz FMQNJONOEAZMIT-OAHLLOKOSA-N 1 2 289.354 2.140 20 30 CEEDLO CN1CCCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1=O ZINC000601968388 346946027 /nfs/dbraw/zinc/94/60/27/346946027.db2.gz FMQNJONOEAZMIT-OAHLLOKOSA-N 1 2 289.354 2.140 20 30 CEEDLO CC(C)(C#N)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000056402972 343616144 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271.364 2.051 20 30 CEEDLO CC[C@H](C#N)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251212763 344635888 /nfs/dbraw/zinc/63/58/88/344635888.db2.gz KLVPKQOSSRNFRS-HIFRSBDPSA-N 1 2 271.364 2.051 20 30 CEEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)ccn1 ZINC000316385366 344749015 /nfs/dbraw/zinc/74/90/15/344749015.db2.gz XLRMUBOIKPPSBD-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO Cc1cccn2cc(Cc3noc([C@@]4(C#N)C[C@@H]4C)n3)[nH+]c12 ZINC000351093365 344794299 /nfs/dbraw/zinc/79/42/99/344794299.db2.gz COAXNWYUBRVXIB-MEDUHNTESA-N 1 2 293.330 2.418 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCc2ccccc2NC1=O ZINC000335226544 282362182 /nfs/dbraw/zinc/36/21/82/282362182.db2.gz IXFNQWCRTMEYDF-CQSZACIVSA-N 1 2 271.364 2.421 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCc2ccccc2NC1=O ZINC000335226544 282362183 /nfs/dbraw/zinc/36/21/83/282362183.db2.gz IXFNQWCRTMEYDF-CQSZACIVSA-N 1 2 271.364 2.421 20 30 CEEDLO Cc1cc(N)nc(SCCOc2cccc(C#N)c2)[nH+]1 ZINC000053563149 362496258 /nfs/dbraw/zinc/49/62/58/362496258.db2.gz 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345329032 /nfs/dbraw/zinc/32/90/32/345329032.db2.gz PPAQCYHTECREHX-AWEZNQCLSA-N 1 2 279.409 2.336 20 30 CEEDLO CCCCc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592147523 345329035 /nfs/dbraw/zinc/32/90/35/345329035.db2.gz PPAQCYHTECREHX-AWEZNQCLSA-N 1 2 279.409 2.336 20 30 CEEDLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150564 345330076 /nfs/dbraw/zinc/33/00/76/345330076.db2.gz GSMPXGNBOLZFOY-YGRLFVJLSA-N 1 2 266.291 2.376 20 30 CEEDLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150564 345330078 /nfs/dbraw/zinc/33/00/78/345330078.db2.gz GSMPXGNBOLZFOY-YGRLFVJLSA-N 1 2 266.291 2.376 20 30 CEEDLO C[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C#N)cc1 ZINC000592997028 345420373 /nfs/dbraw/zinc/42/03/73/345420373.db2.gz PIZKMKPHIGTTIA-UHFFFAOYSA-N 1 2 266.348 2.333 20 30 CEEDLO C[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C#N)cc1 ZINC000592997028 345420375 /nfs/dbraw/zinc/42/03/75/345420375.db2.gz PIZKMKPHIGTTIA-UHFFFAOYSA-N 1 2 266.348 2.333 20 30 CEEDLO 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BKMYOGCAGIAIAB-RYUDHWBXSA-N 1 2 282.347 2.337 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(C#N)CCCCC1 ZINC000594684513 345671499 /nfs/dbraw/zinc/67/14/99/345671499.db2.gz DOVJMVJRBOXRQT-CYBMUJFWSA-N 1 2 289.383 2.045 20 30 CEEDLO N#CCc1cc[nH+]c(NCc2ccnn2CC2CC2)c1 ZINC000594735453 345682123 /nfs/dbraw/zinc/68/21/23/345682123.db2.gz RAQVVKQYUONFGS-UHFFFAOYSA-N 1 2 267.336 2.366 20 30 CEEDLO C=C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000594877875 345692962 /nfs/dbraw/zinc/69/29/62/345692962.db2.gz XKLBPSCPKITMIU-UHFFFAOYSA-N 1 2 256.309 2.284 20 30 CEEDLO CCn1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)nn1 ZINC000595069648 345738865 /nfs/dbraw/zinc/73/88/65/345738865.db2.gz PFWKZTBHNQWVER-JTQLQIEISA-N 1 2 273.315 2.160 20 30 CEEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000595289150 345754958 /nfs/dbraw/zinc/75/49/58/345754958.db2.gz PKKLKIQGRDXDCW-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000595289150 345754963 /nfs/dbraw/zinc/75/49/63/345754963.db2.gz PKKLKIQGRDXDCW-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO COC(=O)C1([N@H+](Cc2ccc(C#N)cn2)C2CC2)CCC1 ZINC000595542860 345807456 /nfs/dbraw/zinc/80/74/56/345807456.db2.gz VZRAMWYNGJZYIZ-UHFFFAOYSA-N 1 2 285.347 2.013 20 30 CEEDLO COC(=O)C1([N@@H+](Cc2ccc(C#N)cn2)C2CC2)CCC1 ZINC000595542860 345807457 /nfs/dbraw/zinc/80/74/57/345807457.db2.gz VZRAMWYNGJZYIZ-UHFFFAOYSA-N 1 2 285.347 2.013 20 30 CEEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1C[C@H]3CCCC[C@@H]3NC1=O)C2 ZINC000595558531 345813014 /nfs/dbraw/zinc/81/30/14/345813014.db2.gz AEJDYOAZHGXIES-OAUYIBNBSA-N 1 2 295.386 2.321 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1C[C@H]3CCCC[C@@H]3NC1=O)C2 ZINC000595558531 345813015 /nfs/dbraw/zinc/81/30/15/345813015.db2.gz AEJDYOAZHGXIES-OAUYIBNBSA-N 1 2 295.386 2.321 20 30 CEEDLO COc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)on1 ZINC000595418796 345777599 /nfs/dbraw/zinc/77/75/99/345777599.db2.gz SYWOVTKQYDYXOH-UHFFFAOYSA-N 1 2 269.304 2.334 20 30 CEEDLO C=CCOCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595672866 345845150 /nfs/dbraw/zinc/84/51/50/345845150.db2.gz HOBHIWJYLPJLSY-HNNXBMFYSA-N 1 2 293.363 2.044 20 30 CEEDLO C=CCOCC[N@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595672866 345845154 /nfs/dbraw/zinc/84/51/54/345845154.db2.gz HOBHIWJYLPJLSY-HNNXBMFYSA-N 1 2 293.363 2.044 20 30 CEEDLO C[C@H](C#N)[N@H+](CCCOCC(F)(F)F)C1CC1 ZINC000595720469 345859650 /nfs/dbraw/zinc/85/96/50/345859650.db2.gz IFCQYWJJNGXNDE-SECBINFHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H](C#N)[N@@H+](CCCOCC(F)(F)F)C1CC1 ZINC000595720469 345859653 /nfs/dbraw/zinc/85/96/53/345859653.db2.gz IFCQYWJJNGXNDE-SECBINFHSA-N 1 2 250.264 2.332 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000595617116 345828604 /nfs/dbraw/zinc/82/86/04/345828604.db2.gz UPWUFWORYBLNKJ-LLVKDONJSA-N 1 2 292.770 2.299 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000595617116 345828607 /nfs/dbraw/zinc/82/86/07/345828607.db2.gz UPWUFWORYBLNKJ-LLVKDONJSA-N 1 2 292.770 2.299 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000595623122 345831258 /nfs/dbraw/zinc/83/12/58/345831258.db2.gz IESWMWJRBIXGCV-AWEZNQCLSA-N 1 2 281.363 2.393 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000595623122 345831260 /nfs/dbraw/zinc/83/12/60/345831260.db2.gz IESWMWJRBIXGCV-AWEZNQCLSA-N 1 2 281.363 2.393 20 30 CEEDLO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595659867 345840219 /nfs/dbraw/zinc/84/02/19/345840219.db2.gz QNDMAUOKANKCTH-HNNXBMFYSA-N 1 2 294.782 2.185 20 30 CEEDLO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595659867 345840223 /nfs/dbraw/zinc/84/02/23/345840223.db2.gz QNDMAUOKANKCTH-HNNXBMFYSA-N 1 2 294.782 2.185 20 30 CEEDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595832280 345889682 /nfs/dbraw/zinc/88/96/82/345889682.db2.gz AANAEBYOQUBYJD-DOMZBBRYSA-N 1 2 291.420 2.031 20 30 CEEDLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595832280 345889687 /nfs/dbraw/zinc/88/96/87/345889687.db2.gz AANAEBYOQUBYJD-DOMZBBRYSA-N 1 2 291.420 2.031 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000595833637 345890585 /nfs/dbraw/zinc/89/05/85/345890585.db2.gz IATRTPRGFFEXPK-DOMZBBRYSA-N 1 2 258.321 2.062 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000595833637 345890587 /nfs/dbraw/zinc/89/05/87/345890587.db2.gz IATRTPRGFFEXPK-DOMZBBRYSA-N 1 2 258.321 2.062 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835627 345892056 /nfs/dbraw/zinc/89/20/56/345892056.db2.gz SKQZQTXLTXTGRE-HLPPOEQASA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835627 345892060 /nfs/dbraw/zinc/89/20/60/345892060.db2.gz SKQZQTXLTXTGRE-HLPPOEQASA-N 1 2 277.412 2.400 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836341 345892261 /nfs/dbraw/zinc/89/22/61/345892261.db2.gz YAGVPPRVHATJQZ-RDTXWAMCSA-N 1 2 297.402 2.195 20 30 CEEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836341 345892263 /nfs/dbraw/zinc/89/22/63/345892263.db2.gz YAGVPPRVHATJQZ-RDTXWAMCSA-N 1 2 297.402 2.195 20 30 CEEDLO C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1[nH+]ccn1C ZINC000595846301 345897813 /nfs/dbraw/zinc/89/78/13/345897813.db2.gz ZRUKJNRSEFGTTJ-LBPRGKRZSA-N 1 2 297.362 2.194 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595868463 345901723 /nfs/dbraw/zinc/90/17/23/345901723.db2.gz WULIXABEBMTQQM-HZMBPMFUSA-N 1 2 279.290 2.031 20 30 CEEDLO C[C@@H](CC#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000596924614 346106295 /nfs/dbraw/zinc/10/62/95/346106295.db2.gz UZOIQGNESXFMKR-NSHDSACASA-N 1 2 286.310 2.177 20 30 CEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596904921 346104001 /nfs/dbraw/zinc/10/40/01/346104001.db2.gz LMJVUYKFDOHSOH-CQSZACIVSA-N 1 2 258.325 2.466 20 30 CEEDLO C[C@@H](CC#N)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000596597343 346062529 /nfs/dbraw/zinc/06/25/29/346062529.db2.gz PHZQNZQUPQMFNQ-SDDRHHMPSA-N 1 2 276.340 2.013 20 30 CEEDLO C[C@@H](CC#N)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000596597343 346062531 /nfs/dbraw/zinc/06/25/31/346062531.db2.gz PHZQNZQUPQMFNQ-SDDRHHMPSA-N 1 2 276.340 2.013 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000597343268 346174300 /nfs/dbraw/zinc/17/43/00/346174300.db2.gz WQIHPQYTCWXHTQ-SWLSCSKDSA-N 1 2 286.379 2.103 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000597343268 346174303 /nfs/dbraw/zinc/17/43/03/346174303.db2.gz WQIHPQYTCWXHTQ-SWLSCSKDSA-N 1 2 286.379 2.103 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000597755751 346226333 /nfs/dbraw/zinc/22/63/33/346226333.db2.gz RIEOJDBLJDKYSN-ZIAGYGMSSA-N 1 2 280.331 2.342 20 30 CEEDLO Cc1[nH]c(C(=O)NC(C)(C)c2cccc(C#N)c2)c[nH+]1 ZINC000597948314 346256727 /nfs/dbraw/zinc/25/67/27/346256727.db2.gz ICJMSHIJUCUSIF-UHFFFAOYSA-N 1 2 268.320 2.255 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CC)[C@@H](C)C#N ZINC000598353047 346334984 /nfs/dbraw/zinc/33/49/84/346334984.db2.gz HUBGRJHSUVJROI-LBPRGKRZSA-N 1 2 284.363 2.359 20 30 CEEDLO C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1[nH+]ccn1C ZINC000598463778 346360939 /nfs/dbraw/zinc/36/09/39/346360939.db2.gz BYRBXUDDEWQXRC-XHDPSFHLSA-N 1 2 272.352 2.071 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000598993386 346443523 /nfs/dbraw/zinc/44/35/23/346443523.db2.gz LBWVQKRDKRDQLZ-UHFFFAOYSA-N 1 2 284.363 2.323 20 30 CEEDLO Cc1cnccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000599335762 346500636 /nfs/dbraw/zinc/50/06/36/346500636.db2.gz CRJIMJYESGWFMS-MRXNPFEDSA-N 1 2 272.396 2.056 20 30 CEEDLO C=CCOCC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623287161 349974617 /nfs/dbraw/zinc/97/46/17/349974617.db2.gz RNMQJUXUDZPEBA-UHFFFAOYSA-N 1 2 297.196 2.405 20 30 CEEDLO C=CCOCC[N@H+]1CCc2nccc(Br)c2C1 ZINC000623287161 349974619 /nfs/dbraw/zinc/97/46/19/349974619.db2.gz RNMQJUXUDZPEBA-UHFFFAOYSA-N 1 2 297.196 2.405 20 30 CEEDLO COC(=O)[C@@]1([NH2+]CCOCCC#N)CCCC(C)(C)C1 ZINC000599559370 346538316 /nfs/dbraw/zinc/53/83/16/346538316.db2.gz VDCHTHAQLLPLNE-OAHLLOKOSA-N 1 2 282.384 2.018 20 30 CEEDLO COC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000599695633 346570493 /nfs/dbraw/zinc/57/04/93/346570493.db2.gz LFSPDCOWFLFDNU-HNNXBMFYSA-N 1 2 294.782 2.449 20 30 CEEDLO COC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000599695633 346570495 /nfs/dbraw/zinc/57/04/95/346570495.db2.gz LFSPDCOWFLFDNU-HNNXBMFYSA-N 1 2 294.782 2.449 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000600612741 346662290 /nfs/dbraw/zinc/66/22/90/346662290.db2.gz CAXLQYQCTOAODH-SKDRFNHKSA-N 1 2 295.745 2.476 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601170586 346776572 /nfs/dbraw/zinc/77/65/72/346776572.db2.gz BHWNCIILSCVUKX-SNVBAGLBSA-N 1 2 282.351 2.037 20 30 CEEDLO C[C@@H](CC#N)N(C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601038695 346737125 /nfs/dbraw/zinc/73/71/25/346737125.db2.gz UFYXQXYJUGDOOC-NSHDSACASA-N 1 2 268.320 2.451 20 30 CEEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CC(C)(C)C#N ZINC000602615719 347104376 /nfs/dbraw/zinc/10/43/76/347104376.db2.gz SBUIEADJFXNFGQ-UHFFFAOYSA-N 1 2 292.383 2.015 20 30 CEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1noc(C2CC2)n1 ZINC000602644070 347119777 /nfs/dbraw/zinc/11/97/77/347119777.db2.gz KDWOHRWTVMCVDO-LLVKDONJSA-N 1 2 290.367 2.136 20 30 CEEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000296678219 136691165 /nfs/dbraw/zinc/69/11/65/136691165.db2.gz CBNSRPPJIXBQMC-UHFFFAOYSA-N 1 2 294.358 2.402 20 30 CEEDLO C=CCC[C@@H](N[C@H](c1[nH+]ccn1C)C1CC1)C(=O)OCC ZINC000602680852 347141984 /nfs/dbraw/zinc/14/19/84/347141984.db2.gz LYTLQSSTVFUPDA-KGLIPLIRSA-N 1 2 291.395 2.359 20 30 CEEDLO CC1(C#N)C[NH+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602688980 347148361 /nfs/dbraw/zinc/14/83/61/347148361.db2.gz CLXMCDCJKICZBP-AWEZNQCLSA-N 1 2 255.365 2.358 20 30 CEEDLO C[C@H](O)[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602700093 347155788 /nfs/dbraw/zinc/15/57/88/347155788.db2.gz RSWPINLFVNEOKU-ZBEGNZNMSA-N 1 2 285.322 2.304 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOc3cc(O)ccc3C2)n1 ZINC000602652913 347124992 /nfs/dbraw/zinc/12/49/92/347124992.db2.gz FCXTZOAAIIUXMI-UHFFFAOYSA-N 1 2 281.315 2.053 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOc3cc(O)ccc3C2)n1 ZINC000602652913 347124993 /nfs/dbraw/zinc/12/49/93/347124993.db2.gz FCXTZOAAIIUXMI-UHFFFAOYSA-N 1 2 281.315 2.053 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000602671495 347134119 /nfs/dbraw/zinc/13/41/19/347134119.db2.gz JXBTWYFJJYRTHN-HZPDHXFCSA-N 1 2 269.348 2.097 20 30 CEEDLO N#Cc1cccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n1 ZINC000602671495 347134122 /nfs/dbraw/zinc/13/41/22/347134122.db2.gz JXBTWYFJJYRTHN-HZPDHXFCSA-N 1 2 269.348 2.097 20 30 CEEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC1(CC#N)CC1)C2 ZINC000602775644 347193600 /nfs/dbraw/zinc/19/36/00/347193600.db2.gz LIVOAXVNGZBMAQ-UHFFFAOYSA-N 1 2 270.332 2.483 20 30 CEEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC1(CC#N)CC1)C2 ZINC000602775644 347193602 /nfs/dbraw/zinc/19/36/02/347193602.db2.gz LIVOAXVNGZBMAQ-UHFFFAOYSA-N 1 2 270.332 2.483 20 30 CEEDLO C=C(C)C[C@H](NCc1c[nH+]cn1C(C)C)C(=O)OC ZINC000602739083 347180282 /nfs/dbraw/zinc/18/02/82/347180282.db2.gz QMJMEHGNHZXDCC-ZDUSSCGKSA-N 1 2 265.357 2.061 20 30 CEEDLO CCC(CC)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602758154 347187123 /nfs/dbraw/zinc/18/71/23/347187123.db2.gz XNGQDIXANANKQM-UHFFFAOYSA-N 1 2 277.412 2.261 20 30 CEEDLO C[C@@H]1C[NH+](Cc2cc(F)cc(F)c2)C[C@@H](C)N1CC#N ZINC000602852247 347225395 /nfs/dbraw/zinc/22/53/95/347225395.db2.gz AHNJTMKXQCAXJJ-VXGBXAGGSA-N 1 2 279.334 2.383 20 30 CEEDLO CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602860270 347227934 /nfs/dbraw/zinc/22/79/34/347227934.db2.gz AQOFROVNNOSYJY-CYBMUJFWSA-N 1 2 273.380 2.099 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000602860283 347228247 /nfs/dbraw/zinc/22/82/47/347228247.db2.gz CKPLARHHDQBQMB-GHMZBOCLSA-N 1 2 279.771 2.236 20 30 CEEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602860565 347228339 /nfs/dbraw/zinc/22/83/39/347228339.db2.gz CBBYYFJZDOSSEJ-QWHCGFSZSA-N 1 2 253.390 2.209 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000602860560 347228354 /nfs/dbraw/zinc/22/83/54/347228354.db2.gz BZWBCXUIHSBBCR-STQMWFEESA-N 1 2 263.385 2.273 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602861618 347228855 /nfs/dbraw/zinc/22/88/55/347228855.db2.gz GQZNLSVQQOPNKK-RWMBFGLXSA-N 1 2 251.374 2.058 20 30 CEEDLO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602868182 347231184 /nfs/dbraw/zinc/23/11/84/347231184.db2.gz HSICUIBOSQYCLC-JTQLQIEISA-N 1 2 265.744 2.479 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc2ncccc21 ZINC000602869068 347231970 /nfs/dbraw/zinc/23/19/70/347231970.db2.gz LYFJLBCFZDLLFV-NWDGAFQWSA-N 1 2 282.347 2.454 20 30 CEEDLO N#Cc1cccc2c1C[N@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC000602872744 347233940 /nfs/dbraw/zinc/23/39/40/347233940.db2.gz ZSLVLXZAQCPXRX-MRXNPFEDSA-N 1 2 281.359 2.027 20 30 CEEDLO N#Cc1cccc2c1C[N@@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC000602872744 347233942 /nfs/dbraw/zinc/23/39/42/347233942.db2.gz ZSLVLXZAQCPXRX-MRXNPFEDSA-N 1 2 281.359 2.027 20 30 CEEDLO COC(=O)c1coc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000602883118 347236762 /nfs/dbraw/zinc/23/67/62/347236762.db2.gz HUNUYFDPJLHIBY-WDEREUQCSA-N 1 2 277.324 2.148 20 30 CEEDLO COC(=O)c1coc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000602883118 347236765 /nfs/dbraw/zinc/23/67/65/347236765.db2.gz HUNUYFDPJLHIBY-WDEREUQCSA-N 1 2 277.324 2.148 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889944 347239772 /nfs/dbraw/zinc/23/97/72/347239772.db2.gz XKNMDAOIYYTHEK-UKRRQHHQSA-N 1 2 297.358 2.147 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889944 347239773 /nfs/dbraw/zinc/23/97/73/347239773.db2.gz XKNMDAOIYYTHEK-UKRRQHHQSA-N 1 2 297.358 2.147 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602903531 347242496 /nfs/dbraw/zinc/24/24/96/347242496.db2.gz RDXORXUYYDIZNW-DOMZBBRYSA-N 1 2 264.369 2.342 20 30 CEEDLO CC(C)(C)OC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000602903531 347242499 /nfs/dbraw/zinc/24/24/99/347242499.db2.gz RDXORXUYYDIZNW-DOMZBBRYSA-N 1 2 264.369 2.342 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000602902668 347242800 /nfs/dbraw/zinc/24/28/00/347242800.db2.gz KSPNAZLZDOOZST-CKEIUWERSA-N 1 2 285.391 2.488 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000602902668 347242802 /nfs/dbraw/zinc/24/28/02/347242802.db2.gz KSPNAZLZDOOZST-CKEIUWERSA-N 1 2 285.391 2.488 20 30 CEEDLO Cc1cc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)c(C)c[nH+]1 ZINC000602921113 347248095 /nfs/dbraw/zinc/24/80/95/347248095.db2.gz CZAYNBJSCGJOCV-JSGCOSHPSA-N 1 2 272.352 2.276 20 30 CEEDLO CC(C)N1CCC[C@H]([N@H+](C)[C@H]2CCC[C@H]2C#N)C1=O ZINC000602977892 347263404 /nfs/dbraw/zinc/26/34/04/347263404.db2.gz INIIIBOBAJDAOJ-IHRRRGAJSA-N 1 2 263.385 2.010 20 30 CEEDLO CC(C)N1CCC[C@H]([N@@H+](C)[C@H]2CCC[C@H]2C#N)C1=O ZINC000602977892 347263406 /nfs/dbraw/zinc/26/34/06/347263406.db2.gz INIIIBOBAJDAOJ-IHRRRGAJSA-N 1 2 263.385 2.010 20 30 CEEDLO COCc1cc(C#N)ccc1N(C)Cc1[nH+]ccn1C ZINC000603269069 347325725 /nfs/dbraw/zinc/32/57/25/347325725.db2.gz MCIMUJJOPBVLCM-UHFFFAOYSA-N 1 2 270.336 2.075 20 30 CEEDLO Cc1[nH+]c2ccccc2n1Cc1cn(CC2(C#N)CC2)nn1 ZINC000603228436 347316050 /nfs/dbraw/zinc/31/60/50/347316050.db2.gz ZTOWUXVKRGENHZ-UHFFFAOYSA-N 1 2 292.346 2.288 20 30 CEEDLO N#Cc1sccc1N1CCN(c2cc[nH+]cc2F)CC1 ZINC000603406397 347361653 /nfs/dbraw/zinc/36/16/53/347361653.db2.gz TYSKBCVMFHZWEI-UHFFFAOYSA-N 1 2 288.351 2.480 20 30 CEEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)CC(C)C)[nH+]c12 ZINC000608854187 347622338 /nfs/dbraw/zinc/62/23/38/347622338.db2.gz MLIRNBCYEWLBRE-ZDUSSCGKSA-N 1 2 284.363 2.240 20 30 CEEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccoc1 ZINC000608833337 347622366 /nfs/dbraw/zinc/62/23/66/347622366.db2.gz NCFZYAYXXNPJBS-UHFFFAOYSA-N 1 2 297.358 2.290 20 30 CEEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccoc1 ZINC000608833337 347622368 /nfs/dbraw/zinc/62/23/68/347622368.db2.gz NCFZYAYXXNPJBS-UHFFFAOYSA-N 1 2 297.358 2.290 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000609030872 347625583 /nfs/dbraw/zinc/62/55/83/347625583.db2.gz QJIKQAPJSUUNFX-LBPRGKRZSA-N 1 2 271.364 2.313 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000609030872 347625586 /nfs/dbraw/zinc/62/55/86/347625586.db2.gz QJIKQAPJSUUNFX-LBPRGKRZSA-N 1 2 271.364 2.313 20 30 CEEDLO N#CCc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609131162 347626760 /nfs/dbraw/zinc/62/67/60/347626760.db2.gz JHEXODDTNGATSB-INIZCTEOSA-N 1 2 294.358 2.426 20 30 CEEDLO N#CCc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609131163 347626787 /nfs/dbraw/zinc/62/67/87/347626787.db2.gz JHEXODDTNGATSB-MRXNPFEDSA-N 1 2 294.358 2.426 20 30 CEEDLO N#Cc1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000610116548 347660493 /nfs/dbraw/zinc/66/04/93/347660493.db2.gz RMAMVTUHQIGBNC-UHFFFAOYSA-N 1 2 263.260 2.326 20 30 CEEDLO Cc1cccn2cc(CCNC(=O)C3(C#N)CCCC3)[nH+]c12 ZINC000610434813 347681397 /nfs/dbraw/zinc/68/13/97/347681397.db2.gz MSOFDRZSHMVFIY-UHFFFAOYSA-N 1 2 296.374 2.385 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762710 347711946 /nfs/dbraw/zinc/71/19/46/347711946.db2.gz OCHFGNWKUXTCHL-KKUMJFAQSA-N 1 2 270.332 2.257 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762710 347711950 /nfs/dbraw/zinc/71/19/50/347711950.db2.gz OCHFGNWKUXTCHL-KKUMJFAQSA-N 1 2 270.332 2.257 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762711 347712111 /nfs/dbraw/zinc/71/21/11/347712111.db2.gz OCHFGNWKUXTCHL-ZNMIVQPWSA-N 1 2 270.332 2.257 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762711 347712117 /nfs/dbraw/zinc/71/21/17/347712117.db2.gz OCHFGNWKUXTCHL-ZNMIVQPWSA-N 1 2 270.332 2.257 20 30 CEEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000610991221 347728221 /nfs/dbraw/zinc/72/82/21/347728221.db2.gz FIXCMDJHTKMHOA-UHFFFAOYSA-N 1 2 282.303 2.493 20 30 CEEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000610991221 347728225 /nfs/dbraw/zinc/72/82/25/347728225.db2.gz FIXCMDJHTKMHOA-UHFFFAOYSA-N 1 2 282.303 2.493 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000611432028 347779537 /nfs/dbraw/zinc/77/95/37/347779537.db2.gz KDUDGXUDVTYGGN-SFHVURJKSA-N 1 2 299.393 2.343 20 30 CEEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CCC#N)CC1 ZINC000611174369 347747688 /nfs/dbraw/zinc/74/76/88/347747688.db2.gz CRYRTZGXUGVABR-ZDUSSCGKSA-N 1 2 288.351 2.187 20 30 CEEDLO N#CC1(NC(=O)C[NH+]2CC3(C2)CC(F)(F)C3)CCCCC1 ZINC000611180830 347749621 /nfs/dbraw/zinc/74/96/21/347749621.db2.gz WNAMTXKWLGNBCS-UHFFFAOYSA-N 1 2 297.349 2.060 20 30 CEEDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1F ZINC000611502222 347786129 /nfs/dbraw/zinc/78/61/29/347786129.db2.gz PPOYQMBBMJKTRI-FZMZJTMJSA-N 1 2 275.327 2.177 20 30 CEEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1F ZINC000611502222 347786130 /nfs/dbraw/zinc/78/61/30/347786130.db2.gz PPOYQMBBMJKTRI-FZMZJTMJSA-N 1 2 275.327 2.177 20 30 CEEDLO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1F ZINC000611502339 347786216 /nfs/dbraw/zinc/78/62/16/347786216.db2.gz RLXJPTAQXGQRTG-CHWSQXEVSA-N 1 2 281.375 2.009 20 30 CEEDLO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1F ZINC000611502339 347786221 /nfs/dbraw/zinc/78/62/21/347786221.db2.gz RLXJPTAQXGQRTG-CHWSQXEVSA-N 1 2 281.375 2.009 20 30 CEEDLO CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166563 347853101 /nfs/dbraw/zinc/85/31/01/347853101.db2.gz VSFZPAHFXUUZGS-HIFRSBDPSA-N 1 2 263.385 2.011 20 30 CEEDLO CC(C)N1CCC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612166563 347853103 /nfs/dbraw/zinc/85/31/03/347853103.db2.gz VSFZPAHFXUUZGS-HIFRSBDPSA-N 1 2 263.385 2.011 20 30 CEEDLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000612048864 347837374 /nfs/dbraw/zinc/83/73/74/347837374.db2.gz NLKMNYSVTRPBED-GHMZBOCLSA-N 1 2 286.335 2.499 20 30 CEEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406519 347880867 /nfs/dbraw/zinc/88/08/67/347880867.db2.gz ODAPSTJGJFNFHE-CYBMUJFWSA-N 1 2 264.398 2.335 20 30 CEEDLO CN(C)c1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406519 347880869 /nfs/dbraw/zinc/88/08/69/347880869.db2.gz ODAPSTJGJFNFHE-CYBMUJFWSA-N 1 2 264.398 2.335 20 30 CEEDLO N#CCN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000103882493 185859464 /nfs/dbraw/zinc/85/94/64/185859464.db2.gz OLHJIRALAOYSGW-UHFFFAOYSA-N 1 2 294.196 2.090 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000612585859 347905076 /nfs/dbraw/zinc/90/50/76/347905076.db2.gz UKQIEZVPVINHIE-UHFFFAOYSA-N 1 2 251.261 2.373 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000612596444 347906107 /nfs/dbraw/zinc/90/61/07/347906107.db2.gz XFMPZPIXFQAMHB-CQSZACIVSA-N 1 2 295.390 2.160 20 30 CEEDLO CCC#C[C@@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000613586198 348074501 /nfs/dbraw/zinc/07/45/01/348074501.db2.gz POQKTCRDMANQHZ-CXAGYDPISA-N 1 2 255.427 2.411 20 30 CEEDLO CCC#C[C@@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000613586198 348074503 /nfs/dbraw/zinc/07/45/03/348074503.db2.gz POQKTCRDMANQHZ-CXAGYDPISA-N 1 2 255.427 2.411 20 30 CEEDLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(C#N)c1 ZINC000615766969 348389371 /nfs/dbraw/zinc/38/93/71/348389371.db2.gz KDIHVUBJRHHLED-SWLSCSKDSA-N 1 2 294.358 2.195 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000617565658 348738104 /nfs/dbraw/zinc/73/81/04/348738104.db2.gz KHMHEKNFGMCNRJ-ORAYPTAESA-N 1 2 276.405 2.210 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000617565658 348738107 /nfs/dbraw/zinc/73/81/07/348738107.db2.gz KHMHEKNFGMCNRJ-ORAYPTAESA-N 1 2 276.405 2.210 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000617779013 348789523 /nfs/dbraw/zinc/78/95/23/348789523.db2.gz SUHBPVUCASFQEL-BFHYXJOUSA-N 1 2 273.380 2.338 20 30 CEEDLO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618609114 348996351 /nfs/dbraw/zinc/99/63/51/348996351.db2.gz NYYZYAYQIOMPCY-AGIUHOORSA-N 1 2 252.358 2.246 20 30 CEEDLO CC(C)(C(=O)NCc1ccc(C#N)cc1F)c1c[nH]c[nH+]1 ZINC000618934437 349073960 /nfs/dbraw/zinc/07/39/60/349073960.db2.gz IPESYAXDKARPFU-UHFFFAOYSA-N 1 2 286.310 2.014 20 30 CEEDLO C=C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000619702007 349222584 /nfs/dbraw/zinc/22/25/84/349222584.db2.gz CGEGETPMXTVKSU-CQSZACIVSA-N 1 2 292.335 2.235 20 30 CEEDLO C=C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000619704075 349224674 /nfs/dbraw/zinc/22/46/74/349224674.db2.gz XCDPUTBSWLHCKR-WXRRBKDZSA-N 1 2 297.395 2.204 20 30 CEEDLO C=C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)C(=O)OC ZINC000619703865 349224775 /nfs/dbraw/zinc/22/47/75/349224775.db2.gz SZABXFVMXWHOFB-AWEZNQCLSA-N 1 2 277.339 2.466 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000619715869 349226269 /nfs/dbraw/zinc/22/62/69/349226269.db2.gz XNKIUXRTBDAEPW-GFCCVEGCSA-N 1 2 285.290 2.447 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000619715869 349226274 /nfs/dbraw/zinc/22/62/74/349226274.db2.gz XNKIUXRTBDAEPW-GFCCVEGCSA-N 1 2 285.290 2.447 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000619715893 349226350 /nfs/dbraw/zinc/22/63/50/349226350.db2.gz ZZZNSRYZUWVTFW-CYBMUJFWSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000619715893 349226353 /nfs/dbraw/zinc/22/63/53/349226353.db2.gz ZZZNSRYZUWVTFW-CYBMUJFWSA-N 1 2 283.755 2.378 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000619717195 349227394 /nfs/dbraw/zinc/22/73/94/349227394.db2.gz JENKUNZQRSWSOP-AWEZNQCLSA-N 1 2 277.364 2.471 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000619717195 349227397 /nfs/dbraw/zinc/22/73/97/349227397.db2.gz JENKUNZQRSWSOP-AWEZNQCLSA-N 1 2 277.364 2.471 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000619721629 349229306 /nfs/dbraw/zinc/22/93/06/349229306.db2.gz 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C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1)C1CC1 ZINC000348528067 369071303 /nfs/dbraw/zinc/07/13/03/369071303.db2.gz WTFWRJYKICTLPY-WBVHZDCISA-N 1 2 283.375 2.242 20 30 CEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1)C1CC1 ZINC000348528067 369071307 /nfs/dbraw/zinc/07/13/07/369071307.db2.gz WTFWRJYKICTLPY-WBVHZDCISA-N 1 2 283.375 2.242 20 30 CEEDLO CC(C)(C)OCCO[NH+]=C(N)COc1ccccc1F ZINC000186870375 369059357 /nfs/dbraw/zinc/05/93/57/369059357.db2.gz FMWNEDVOPPITBP-UHFFFAOYSA-N 1 2 284.331 2.308 20 30 CEEDLO C=C(C)CN(C)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635774852 369335732 /nfs/dbraw/zinc/33/57/32/369335732.db2.gz QSIFOTYZQTWZPX-MRXNPFEDSA-N 1 2 288.391 2.304 20 30 CEEDLO C=C(C)CN(C)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635774852 369335736 /nfs/dbraw/zinc/33/57/36/369335736.db2.gz QSIFOTYZQTWZPX-MRXNPFEDSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCN(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635818649 369360002 /nfs/dbraw/zinc/36/00/02/369360002.db2.gz 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/nfs/dbraw/zinc/68/11/62/369681162.db2.gz ILEBEHWWTSBUBN-UHFFFAOYSA-N 1 2 276.380 2.322 20 30 CEEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000192163221 369777788 /nfs/dbraw/zinc/77/77/88/369777788.db2.gz KFZJFZPQCGGATG-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000192163221 369777794 /nfs/dbraw/zinc/77/77/94/369777794.db2.gz KFZJFZPQCGGATG-UHFFFAOYSA-N 1 2 289.354 2.140 20 30 CEEDLO CCc1ccc([C@H](CO)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352835270 369903582 /nfs/dbraw/zinc/90/35/82/369903582.db2.gz KWRZXJIMGSGZFK-AWEZNQCLSA-N 1 2 287.388 2.400 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCC#N)CC1 ZINC000193750396 369979293 /nfs/dbraw/zinc/97/92/93/369979293.db2.gz PLLSIMMLYOOXJB-UHFFFAOYSA-N 1 2 279.384 2.375 20 30 CEEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CCC#N)CC1 ZINC000193750396 369979300 /nfs/dbraw/zinc/97/93/00/369979300.db2.gz PLLSIMMLYOOXJB-UHFFFAOYSA-N 1 2 279.384 2.375 20 30 CEEDLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccc(C#N)cc1 ZINC000194736915 370069541 /nfs/dbraw/zinc/06/95/41/370069541.db2.gz RWEMSPKGVBSCLN-UHFFFAOYSA-N 1 2 280.331 2.200 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)CCn1cc[nH+]c1 ZINC000354107314 370219739 /nfs/dbraw/zinc/21/97/39/370219739.db2.gz PFAWYBQPKHNQFS-UHFFFAOYSA-N 1 2 283.335 2.215 20 30 CEEDLO Cc1cc(C)n2c(C[N@@H+](C[C@@H](C)C#N)C3CC3)cnc2n1 ZINC000354032793 370188051 /nfs/dbraw/zinc/18/80/51/370188051.db2.gz DTVSYSASEJPMHB-NSHDSACASA-N 1 2 283.379 2.470 20 30 CEEDLO Cc1cc(C)n2c(C[N@H+](C[C@@H](C)C#N)C3CC3)cnc2n1 ZINC000354032793 370188057 /nfs/dbraw/zinc/18/80/57/370188057.db2.gz DTVSYSASEJPMHB-NSHDSACASA-N 1 2 283.379 2.470 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1cnc(N(C)C)s1)C1CC1 ZINC000354044143 370192852 /nfs/dbraw/zinc/19/28/52/370192852.db2.gz GAMCPLNRLXHSSC-SNVBAGLBSA-N 1 2 264.398 2.333 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1cnc(N(C)C)s1)C1CC1 ZINC000354044143 370192854 /nfs/dbraw/zinc/19/28/54/370192854.db2.gz GAMCPLNRLXHSSC-SNVBAGLBSA-N 1 2 264.398 2.333 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000233651092 370520365 /nfs/dbraw/zinc/52/03/65/370520365.db2.gz CRIUVJOEHLNPFU-UHFFFAOYSA-N 1 2 290.363 2.340 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000233651092 370520370 /nfs/dbraw/zinc/52/03/70/370520370.db2.gz CRIUVJOEHLNPFU-UHFFFAOYSA-N 1 2 290.363 2.340 20 30 CEEDLO N#Cc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000236392775 370586826 /nfs/dbraw/zinc/58/68/26/370586826.db2.gz PJKDECLKVOTFGR-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO N#Cc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000236392775 370586830 /nfs/dbraw/zinc/58/68/30/370586830.db2.gz PJKDECLKVOTFGR-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO CSc1ccc(NCc2cc(C#N)n(C)c2)[nH+]c1 ZINC000358395224 371047891 /nfs/dbraw/zinc/04/78/91/371047891.db2.gz UGYWDAAIYQHUKU-UHFFFAOYSA-N 1 2 258.350 2.048 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000249084074 371291381 /nfs/dbraw/zinc/29/13/81/371291381.db2.gz BBJKATAAPUMNBG-WMLDXEAASA-N 1 2 296.374 2.217 20 30 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KJLDJPUWLRRVKE-UHFFFAOYSA-N 1 2 298.308 2.366 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639908870 371663189 /nfs/dbraw/zinc/66/31/89/371663189.db2.gz KJLDJPUWLRRVKE-UHFFFAOYSA-N 1 2 298.308 2.366 20 30 CEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000361767517 372061547 /nfs/dbraw/zinc/06/15/47/372061547.db2.gz PMFJVUDFJMQJSZ-QMMMGPOBSA-N 1 2 260.272 2.240 20 30 CEEDLO CC#CC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)nn1 ZINC000640753648 372135376 /nfs/dbraw/zinc/13/53/76/372135376.db2.gz JFUCOTWVBMWBRW-UHFFFAOYSA-N 1 2 292.745 2.232 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000268540961 372130784 /nfs/dbraw/zinc/13/07/84/372130784.db2.gz LAGAWTGDYYRLPV-HOCLYGCPSA-N 1 2 289.375 2.086 20 30 CEEDLO C=CCC[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000268540961 372130792 /nfs/dbraw/zinc/13/07/92/372130792.db2.gz LAGAWTGDYYRLPV-HOCLYGCPSA-N 1 2 289.375 2.086 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000366622489 373092992 /nfs/dbraw/zinc/09/29/92/373092992.db2.gz BHUQIOLVLKDDEX-LBPRGKRZSA-N 1 2 298.346 2.213 20 30 CEEDLO Cn1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000271174936 373160821 /nfs/dbraw/zinc/16/08/21/373160821.db2.gz TVRUWRCPTUGNSD-UHFFFAOYSA-N 1 2 296.374 2.335 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367026249 373133665 /nfs/dbraw/zinc/13/36/65/373133665.db2.gz LAVIKOOITWGMCW-BBRMVZONSA-N 1 2 276.355 2.248 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367026249 373133673 /nfs/dbraw/zinc/13/36/73/373133673.db2.gz LAVIKOOITWGMCW-BBRMVZONSA-N 1 2 276.355 2.248 20 30 CEEDLO CCCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371785783 373977775 /nfs/dbraw/zinc/97/77/75/373977775.db2.gz RKZCYBNHDOEZBR-JKSUJKDBSA-N 1 2 285.391 2.284 20 30 CEEDLO CCCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371785783 373977782 /nfs/dbraw/zinc/97/77/82/373977782.db2.gz RKZCYBNHDOEZBR-JKSUJKDBSA-N 1 2 285.391 2.284 20 30 CEEDLO CC#CC[C@@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000645405011 374033694 /nfs/dbraw/zinc/03/36/94/374033694.db2.gz WIWYUMXWLWNZBY-JTQLQIEISA-N 1 2 258.243 2.287 20 30 CEEDLO CC(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000276696007 374268838 /nfs/dbraw/zinc/26/88/38/374268838.db2.gz YAJTZLSKZNXACS-ZDUSSCGKSA-N 1 2 268.320 2.408 20 30 CEEDLO CC#CC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000645943548 374302462 /nfs/dbraw/zinc/30/24/62/374302462.db2.gz SSURRPJRDCMNOR-UHFFFAOYSA-N 1 2 250.292 2.110 20 30 CEEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C2 ZINC000374146200 374499474 /nfs/dbraw/zinc/49/94/74/374499474.db2.gz SFTMCWVJHOARKB-OAHLLOKOSA-N 1 2 294.358 2.116 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000334197238 206179620 /nfs/dbraw/zinc/17/96/20/206179620.db2.gz IWCRWEFNXNWPIA-RNCFNFMXSA-N 1 2 295.180 2.276 20 30 CEEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000334197238 206179624 /nfs/dbraw/zinc/17/96/24/206179624.db2.gz IWCRWEFNXNWPIA-RNCFNFMXSA-N 1 2 295.180 2.276 20 30 CEEDLO CC[N@@H+]1CC[C@H](NCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374851937 374634012 /nfs/dbraw/zinc/63/40/12/374634012.db2.gz AMQFKHRVSGDYIC-JSGCOSHPSA-N 1 2 283.297 2.352 20 30 CEEDLO CC[N@H+]1CC[C@H](NCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374851937 374634019 /nfs/dbraw/zinc/63/40/19/374634019.db2.gz AMQFKHRVSGDYIC-JSGCOSHPSA-N 1 2 283.297 2.352 20 30 CEEDLO C#CCCCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000277697516 374614095 /nfs/dbraw/zinc/61/40/95/374614095.db2.gz GGCLFENPJQQDMA-CQSZACIVSA-N 1 2 288.395 2.043 20 30 CEEDLO C#CCCCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000277697516 374614105 /nfs/dbraw/zinc/61/41/05/374614105.db2.gz GGCLFENPJQQDMA-CQSZACIVSA-N 1 2 288.395 2.043 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCOC2)O1 ZINC000376671645 374715835 /nfs/dbraw/zinc/71/58/35/374715835.db2.gz KZLKPOHGVVHGFG-LRDDRELGSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@]2(CCOC2)O1 ZINC000376671645 374715837 /nfs/dbraw/zinc/71/58/37/374715837.db2.gz 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206339285 /nfs/dbraw/zinc/33/92/85/206339285.db2.gz CLNLGUOSFSAMMN-AWEZNQCLSA-N 1 2 258.300 2.140 20 30 CEEDLO C[C@]1(F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000334304334 206339288 /nfs/dbraw/zinc/33/92/88/206339288.db2.gz CLNLGUOSFSAMMN-AWEZNQCLSA-N 1 2 258.300 2.140 20 30 CEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CCC1(F)F ZINC000289886746 376546301 /nfs/dbraw/zinc/54/63/01/376546301.db2.gz RQGFLSBBQZISJP-LLVKDONJSA-N 1 2 293.317 2.474 20 30 CEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCC1(F)F ZINC000289886746 376546304 /nfs/dbraw/zinc/54/63/04/376546304.db2.gz RQGFLSBBQZISJP-LLVKDONJSA-N 1 2 293.317 2.474 20 30 CEEDLO Cn1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1C#N ZINC000334316427 206359454 /nfs/dbraw/zinc/35/94/54/206359454.db2.gz OYPLIXYTGKMNIJ-CVEARBPZSA-N 1 2 271.364 2.040 20 30 CEEDLO Cn1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1C#N ZINC000334316427 206359457 /nfs/dbraw/zinc/35/94/57/206359457.db2.gz OYPLIXYTGKMNIJ-CVEARBPZSA-N 1 2 271.364 2.040 20 30 CEEDLO C=CCCCS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420705794 376707388 /nfs/dbraw/zinc/70/73/88/376707388.db2.gz YXUFMGHKAYIZFB-UHFFFAOYSA-N 1 2 268.382 2.084 20 30 CEEDLO C[C@H](CC#N)N(C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420937063 376743247 /nfs/dbraw/zinc/74/32/47/376743247.db2.gz NBTMIWLGVDRIEZ-OAHLLOKOSA-N 1 2 287.407 2.253 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420937063 376743255 /nfs/dbraw/zinc/74/32/55/376743255.db2.gz NBTMIWLGVDRIEZ-OAHLLOKOSA-N 1 2 287.407 2.253 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420937063 376743260 /nfs/dbraw/zinc/74/32/60/376743260.db2.gz NBTMIWLGVDRIEZ-OAHLLOKOSA-N 1 2 287.407 2.253 20 30 CEEDLO N#Cc1ccccc1OCC[NH+]1CC(C(F)(F)F)C1 ZINC000561945413 376834965 /nfs/dbraw/zinc/83/49/65/376834965.db2.gz SWPIOJRSCFWYPJ-UHFFFAOYSA-N 1 2 270.254 2.431 20 30 CEEDLO CC[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328604889 376858831 /nfs/dbraw/zinc/85/88/31/376858831.db2.gz JACOEQQVIAPCEI-CHWSQXEVSA-N 1 2 276.384 2.406 20 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ZINC000566463450 377762474 /nfs/dbraw/zinc/76/24/74/377762474.db2.gz DBNOLBLEOPFWDR-INIZCTEOSA-N 1 2 294.439 2.492 20 30 CEEDLO C=CCCCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000566463450 377762479 /nfs/dbraw/zinc/76/24/79/377762479.db2.gz DBNOLBLEOPFWDR-INIZCTEOSA-N 1 2 294.439 2.492 20 30 CEEDLO CC1(C#N)CN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000439004225 377916239 /nfs/dbraw/zinc/91/62/39/377916239.db2.gz CPQLUIDLLBKFRH-UHFFFAOYSA-N 1 2 266.348 2.277 20 30 CEEDLO CC[C@H](NC(=O)c1cccc(CC#N)c1)c1[nH]cc[nH+]1 ZINC000442813572 378003697 /nfs/dbraw/zinc/00/36/97/378003697.db2.gz SUGGCNMXNWWLJN-ZDUSSCGKSA-N 1 2 268.320 2.357 20 30 CEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@]2(C#N)C[C@@H]2C)c1C ZINC000448825201 378187945 /nfs/dbraw/zinc/18/79/45/378187945.db2.gz SZSCOWIAJKYBGJ-ZBEGNZNMSA-N 1 2 287.363 2.215 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449013816 378196341 /nfs/dbraw/zinc/19/63/41/378196341.db2.gz FKBODTKWDOQICU-STQMWFEESA-N 1 2 294.420 2.285 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449013816 378196349 /nfs/dbraw/zinc/19/63/49/378196349.db2.gz FKBODTKWDOQICU-STQMWFEESA-N 1 2 294.420 2.285 20 30 CEEDLO C#CC[NH+]1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 ZINC000295728208 378280487 /nfs/dbraw/zinc/28/04/87/378280487.db2.gz VSQXLDJWQVKUSA-UHFFFAOYSA-N 1 2 299.370 2.148 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)C[C@H](C)S(C)(=O)=O ZINC000450300470 378346529 /nfs/dbraw/zinc/34/65/29/378346529.db2.gz SDAHQIGBVYTWFI-AWEZNQCLSA-N 1 2 281.421 2.150 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)C[C@H](C)S(C)(=O)=O ZINC000450300470 378346533 /nfs/dbraw/zinc/34/65/33/378346533.db2.gz SDAHQIGBVYTWFI-AWEZNQCLSA-N 1 2 281.421 2.150 20 30 CEEDLO C=CCCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296686454 378617181 /nfs/dbraw/zinc/61/71/81/378617181.db2.gz BSPDPPHCRQIFSO-GFCCVEGCSA-N 1 2 276.384 2.479 20 30 CEEDLO COCc1nc(C[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000266188272 190238933 /nfs/dbraw/zinc/23/89/33/190238933.db2.gz ICLUQFFQMDYTOH-UHFFFAOYSA-N 1 2 273.361 2.451 20 30 CEEDLO C=C(Cl)C[NH2+]Cc1c(Br)cnn1C ZINC000278482201 194004913 /nfs/dbraw/zinc/00/49/13/194004913.db2.gz KXYUHMZKDLPOAK-UHFFFAOYSA-N 1 2 264.554 2.025 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000505221053 379072070 /nfs/dbraw/zinc/07/20/70/379072070.db2.gz XHDKTKGDELQWNC-QGZVFWFLSA-N 1 2 296.374 2.487 20 30 CEEDLO CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)C[C@@H](C)C#N ZINC000507581455 379105136 /nfs/dbraw/zinc/10/51/36/379105136.db2.gz JOLPZULFWJSFRA-NSHDSACASA-N 1 2 273.336 2.113 20 30 CEEDLO CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)C[C@@H](C)C#N ZINC000507581455 379105144 /nfs/dbraw/zinc/10/51/44/379105144.db2.gz JOLPZULFWJSFRA-NSHDSACASA-N 1 2 273.336 2.113 20 30 CEEDLO CC[C@@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccc(C#N)cc1 ZINC000278778714 194150994 /nfs/dbraw/zinc/15/09/94/194150994.db2.gz PQQYLQYACADNSB-BXUZGUMPSA-N 1 2 269.352 2.489 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000515178082 379191944 /nfs/dbraw/zinc/19/19/44/379191944.db2.gz FSGVTKHASQHGTP-NSHDSACASA-N 1 2 290.323 2.124 20 30 CEEDLO Cc1ccc(NCc2ccc[nH+]c2N(C)C)nc1C#N ZINC000302662814 379417792 /nfs/dbraw/zinc/41/77/92/379417792.db2.gz PJAIKCBKMGYDOM-UHFFFAOYSA-N 1 2 267.336 2.335 20 30 CEEDLO C#CC[N@@H+](CC)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000267318441 190320729 /nfs/dbraw/zinc/32/07/29/190320729.db2.gz NZNYCIDFHDEMDJ-UHFFFAOYSA-N 1 2 287.331 2.138 20 30 CEEDLO C#CC[N@H+](CC)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000267318441 190320730 /nfs/dbraw/zinc/32/07/30/190320730.db2.gz NZNYCIDFHDEMDJ-UHFFFAOYSA-N 1 2 287.331 2.138 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000267284381 190318474 /nfs/dbraw/zinc/31/84/74/190318474.db2.gz IRKSFUWEPIBNLF-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000267284381 190318475 /nfs/dbraw/zinc/31/84/75/190318475.db2.gz IRKSFUWEPIBNLF-UHFFFAOYSA-N 1 2 271.320 2.200 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncnn1CC(F)F ZINC000488283169 380092331 /nfs/dbraw/zinc/09/23/31/380092331.db2.gz LIYDAEJCESUJGW-UHFFFAOYSA-N 1 2 296.321 2.367 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)Cc1ncnn1CC(F)F ZINC000488283169 380092339 /nfs/dbraw/zinc/09/23/39/380092339.db2.gz LIYDAEJCESUJGW-UHFFFAOYSA-N 1 2 296.321 2.367 20 30 CEEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000528888970 380128028 /nfs/dbraw/zinc/12/80/28/380128028.db2.gz HTFWOVXJNBRQJI-CYBMUJFWSA-N 1 2 286.379 2.106 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000530277971 380199869 /nfs/dbraw/zinc/19/98/69/380199869.db2.gz KGUKPIQYWJIIQU-NEPJUHHUSA-N 1 2 288.395 2.446 20 30 CEEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000530277971 380199875 /nfs/dbraw/zinc/19/98/75/380199875.db2.gz KGUKPIQYWJIIQU-NEPJUHHUSA-N 1 2 288.395 2.446 20 30 CEEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000334374160 380321423 /nfs/dbraw/zinc/32/14/23/380321423.db2.gz UBCZMLHGMPMTFU-DGCLKSJQSA-N 1 2 284.319 2.071 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000491363341 380310968 /nfs/dbraw/zinc/31/09/68/380310968.db2.gz YXWDIVIGTBXEHW-OCCSQVGLSA-N 1 2 274.339 2.053 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000491363341 380310975 /nfs/dbraw/zinc/31/09/75/380310975.db2.gz YXWDIVIGTBXEHW-OCCSQVGLSA-N 1 2 274.339 2.053 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)s2)C1=O ZINC000545286016 380376965 /nfs/dbraw/zinc/37/69/65/380376965.db2.gz QUKDPSJRKHYZKO-ZDUSSCGKSA-N 1 2 291.420 2.239 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C1=O ZINC000545286016 380376972 /nfs/dbraw/zinc/37/69/72/380376972.db2.gz QUKDPSJRKHYZKO-ZDUSSCGKSA-N 1 2 291.420 2.239 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000491760186 380349055 /nfs/dbraw/zinc/34/90/55/380349055.db2.gz PQIVIVJSWKBVNG-VXGBXAGGSA-N 1 2 252.358 2.154 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000491760186 380349058 /nfs/dbraw/zinc/34/90/58/380349058.db2.gz PQIVIVJSWKBVNG-VXGBXAGGSA-N 1 2 252.358 2.154 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000334403178 380361064 /nfs/dbraw/zinc/36/10/64/380361064.db2.gz ORDVOPIKYJSAGZ-CYBMUJFWSA-N 1 2 295.346 2.313 20 30 CEEDLO N#CCc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492915671 380728913 /nfs/dbraw/zinc/72/89/13/380728913.db2.gz XBZSPFZJIGFDMB-WAYWQWQTSA-N 1 2 252.277 2.128 20 30 CEEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000554869748 380800481 /nfs/dbraw/zinc/80/04/81/380800481.db2.gz ISOGIPMCPVZRCC-UONOGXRCSA-N 1 2 269.385 2.025 20 30 CEEDLO N#C[C@@H]1CC[C@H]([NH2+]c2ccc(-n3ccnn3)cc2)C1 ZINC000555951231 380860500 /nfs/dbraw/zinc/86/05/00/380860500.db2.gz NITRSRJDBGMTKB-YPMHNXCESA-N 1 2 253.309 2.371 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(O)cc(F)c2)n1 ZINC000279343677 194392855 /nfs/dbraw/zinc/39/28/55/194392855.db2.gz FGNDQCBGTHKVFW-UHFFFAOYSA-N 1 2 287.338 2.383 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(O)cc(F)c2)n1 ZINC000279343677 194392857 /nfs/dbraw/zinc/39/28/57/194392857.db2.gz FGNDQCBGTHKVFW-UHFFFAOYSA-N 1 2 287.338 2.383 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334939994 207327166 /nfs/dbraw/zinc/32/71/66/207327166.db2.gz ZXOANZKLASXAMH-LBPRGKRZSA-N 1 2 280.331 2.264 20 30 CEEDLO C=CCOc1ccccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070980933 184572730 /nfs/dbraw/zinc/57/27/30/184572730.db2.gz ILOVVRQWZFGLDS-UHFFFAOYSA-N 1 2 271.320 2.247 20 30 CEEDLO C#CCCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000192089905 533017602 /nfs/dbraw/zinc/01/76/02/533017602.db2.gz GXAFSVMSFYTGEK-UHFFFAOYSA-N 1 2 285.322 2.431 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000192233581 130399322 /nfs/dbraw/zinc/39/93/22/130399322.db2.gz IDZLMVIFOQPXEX-HNNXBMFYSA-N 1 2 288.391 2.218 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000192233581 130399325 /nfs/dbraw/zinc/39/93/25/130399325.db2.gz IDZLMVIFOQPXEX-HNNXBMFYSA-N 1 2 288.391 2.218 20 30 CEEDLO C=CCSCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263818980 131338715 /nfs/dbraw/zinc/33/87/15/131338715.db2.gz JFTPDANYIKYSPZ-UHFFFAOYSA-N 1 2 294.424 2.218 20 30 CEEDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c(C#N)cc1[N+](=O)[O-] ZINC000413107308 394483464 /nfs/dbraw/zinc/48/34/64/394483464.db2.gz ZVZSXAABSFJLGZ-LLVKDONJSA-N 1 2 285.307 2.472 20 30 CEEDLO COCCC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328974074 394558582 /nfs/dbraw/zinc/55/85/82/394558582.db2.gz VUWSOTANKCMVTO-GFCCVEGCSA-N 1 2 277.368 2.219 20 30 CEEDLO CN(C)c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000329446133 394564101 /nfs/dbraw/zinc/56/41/01/394564101.db2.gz LYESJDLLBGQPLN-ZDUSSCGKSA-N 1 2 299.378 2.063 20 30 CEEDLO Cc1cn2cc(NC(=O)N[C@]3(C)CCO[C@H]3C)ccc2[nH+]1 ZINC000329552739 394572290 /nfs/dbraw/zinc/57/22/90/394572290.db2.gz JXSJKBJJRCQOCG-XHDPSFHLSA-N 1 2 288.351 2.345 20 30 CEEDLO Cc1ccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000329596546 394575605 /nfs/dbraw/zinc/57/56/05/394575605.db2.gz VVLREHSLMPQAFA-MBNYWOFBSA-N 1 2 276.336 2.338 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC2(CC2)C1 ZINC000329629740 394578290 /nfs/dbraw/zinc/57/82/90/394578290.db2.gz VEWVBTRAVXUGCM-LLVKDONJSA-N 1 2 274.368 2.057 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC2(CC2)C1 ZINC000329629740 394578292 /nfs/dbraw/zinc/57/82/92/394578292.db2.gz VEWVBTRAVXUGCM-LLVKDONJSA-N 1 2 274.368 2.057 20 30 CEEDLO CC1(C)C[N@H+](CC(=O)NC[C@@H]2CCCO2)[C@@H]1[C@@H]1CCCO1 ZINC000329837380 394588974 /nfs/dbraw/zinc/58/89/74/394588974.db2.gz MCSVEEDAXYWEPN-KCQAQPDRSA-N 1 2 296.411 2.011 20 30 CEEDLO CC1(C)C[N@@H+](CC(=O)NC[C@@H]2CCCO2)[C@@H]1[C@@H]1CCCO1 ZINC000329837380 394588980 /nfs/dbraw/zinc/58/89/80/394588980.db2.gz MCSVEEDAXYWEPN-KCQAQPDRSA-N 1 2 296.411 2.011 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)n1 ZINC000356133399 394546992 /nfs/dbraw/zinc/54/69/92/394546992.db2.gz WXEJGHDZVSXJJW-CQSZACIVSA-N 1 2 277.393 2.407 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)n1 ZINC000356133399 394546994 /nfs/dbraw/zinc/54/69/94/394546994.db2.gz WXEJGHDZVSXJJW-CQSZACIVSA-N 1 2 277.393 2.407 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090007275 394654018 /nfs/dbraw/zinc/65/40/18/394654018.db2.gz FVLIBNATSRBJJY-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090007275 394654020 /nfs/dbraw/zinc/65/40/20/394654020.db2.gz FVLIBNATSRBJJY-HNNXBMFYSA-N 1 2 260.312 2.308 20 30 CEEDLO CCCCCCCCOCC(=O)NCCn1cc[nH+]c1 ZINC000266011509 394657181 /nfs/dbraw/zinc/65/71/81/394657181.db2.gz RGZFGKGLJJWQIX-UHFFFAOYSA-N 1 2 281.400 2.376 20 30 CEEDLO Cc1nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)oc1C ZINC000266200409 394660400 /nfs/dbraw/zinc/66/04/00/394660400.db2.gz LBKHRCUQUKQXST-LLVKDONJSA-N 1 2 269.345 2.141 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C[C@H](C)C#N ZINC000330612104 394621479 /nfs/dbraw/zinc/62/14/79/394621479.db2.gz PUCRKHCDQABHQR-LXTVHRRPSA-N 1 2 279.428 2.409 20 30 CEEDLO CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C[C@H](C)C#N ZINC000330612104 394621482 /nfs/dbraw/zinc/62/14/82/394621482.db2.gz PUCRKHCDQABHQR-LXTVHRRPSA-N 1 2 279.428 2.409 20 30 CEEDLO Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1 ZINC000330625471 394622395 /nfs/dbraw/zinc/62/23/95/394622395.db2.gz TVAWGCKAPGNXKD-TZMCWYRMSA-N 1 2 291.395 2.112 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)CCc1nc2ccccc2n1C ZINC000265472342 394649575 /nfs/dbraw/zinc/64/95/75/394649575.db2.gz DIKDWDZCWTXDHR-LBPRGKRZSA-N 1 2 256.353 2.207 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)CCc1nc2ccccc2n1C ZINC000265472342 394649578 /nfs/dbraw/zinc/64/95/78/394649578.db2.gz DIKDWDZCWTXDHR-LBPRGKRZSA-N 1 2 256.353 2.207 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267235700 394673797 /nfs/dbraw/zinc/67/37/97/394673797.db2.gz WQXSLYVNEHWHBM-SMDDNHRTSA-N 1 2 276.767 2.225 20 30 CEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267235700 394673800 /nfs/dbraw/zinc/67/38/00/394673800.db2.gz WQXSLYVNEHWHBM-SMDDNHRTSA-N 1 2 276.767 2.225 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000334406578 394683118 /nfs/dbraw/zinc/68/31/18/394683118.db2.gz GUIKDEGBUQFEGV-OCCSQVGLSA-N 1 2 281.375 2.151 20 30 CEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](C)(F)C1 ZINC000334406578 394683120 /nfs/dbraw/zinc/68/31/20/394683120.db2.gz GUIKDEGBUQFEGV-OCCSQVGLSA-N 1 2 281.375 2.151 20 30 CEEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000359427597 394752952 /nfs/dbraw/zinc/75/29/52/394752952.db2.gz QRFQGLVNWPBZFX-CYBMUJFWSA-N 1 2 297.358 2.262 20 30 CEEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000359427597 394752955 /nfs/dbraw/zinc/75/29/55/394752955.db2.gz QRFQGLVNWPBZFX-CYBMUJFWSA-N 1 2 297.358 2.262 20 30 CEEDLO Cc1cn2cc(NC(=O)NCC(C)(C)C#N)ccc2[nH+]1 ZINC000335966968 394815144 /nfs/dbraw/zinc/81/51/44/394815144.db2.gz XCTPLJLPCWBBHX-UHFFFAOYSA-N 1 2 271.324 2.314 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C(=O)OC ZINC000361107467 394815974 /nfs/dbraw/zinc/81/59/74/394815974.db2.gz IKXPIZHRIXCSSM-SYQHCUMBSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCOC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(=O)OC ZINC000361112441 394816598 /nfs/dbraw/zinc/81/65/98/394816598.db2.gz YFQHGEOPXAWUEZ-ILXRZTDVSA-N 1 2 281.396 2.313 20 30 CEEDLO C[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000126391382 394846284 /nfs/dbraw/zinc/84/62/84/394846284.db2.gz XKTTYQBLSHAMLK-ZIAGYGMSSA-N 1 2 286.379 2.377 20 30 CEEDLO CC1(C)C[N@H+](CCOCCC#N)C[C@@](C)(C(F)(F)F)O1 ZINC000339447118 394961320 /nfs/dbraw/zinc/96/13/20/394961320.db2.gz XDQCBLKRFJHFBG-LBPRGKRZSA-N 1 2 294.317 2.348 20 30 CEEDLO CC1(C)C[N@@H+](CCOCCC#N)C[C@@](C)(C(F)(F)F)O1 ZINC000339447118 394961323 /nfs/dbraw/zinc/96/13/23/394961323.db2.gz XDQCBLKRFJHFBG-LBPRGKRZSA-N 1 2 294.317 2.348 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000135145253 394963473 /nfs/dbraw/zinc/96/34/73/394963473.db2.gz WDZGVYZKFYKTNR-CJNGLKHVSA-N 1 2 273.380 2.379 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000135185692 394963737 /nfs/dbraw/zinc/96/37/37/394963737.db2.gz HWFGYKQLQGMYEZ-MRXNPFEDSA-N 1 2 288.395 2.036 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000339756287 394969207 /nfs/dbraw/zinc/96/92/07/394969207.db2.gz MRHALPXZKAHSJJ-CQSZACIVSA-N 1 2 270.376 2.309 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000339756287 394969212 /nfs/dbraw/zinc/96/92/12/394969212.db2.gz MRHALPXZKAHSJJ-CQSZACIVSA-N 1 2 270.376 2.309 20 30 CEEDLO Cc1cc(N[C@H](C)COCC(F)(F)F)c(C#N)c[nH+]1 ZINC000425212995 395052517 /nfs/dbraw/zinc/05/25/17/395052517.db2.gz GMINDYTWDGQWHV-SECBINFHSA-N 1 2 273.258 2.063 20 30 CEEDLO CCC(CC)(CNc1cc(C)[nH+]cc1C#N)C(=O)OC ZINC000425250136 395054648 /nfs/dbraw/zinc/05/46/48/395054648.db2.gz VMUMQMPSVAOLRP-UHFFFAOYSA-N 1 2 275.352 2.075 20 30 CEEDLO Cc1cc(NCc2ccc(C[S@@](C)=O)cc2)c(C#N)c[nH+]1 ZINC000425253353 395055155 /nfs/dbraw/zinc/05/51/55/395055155.db2.gz KNOSYTWFSZPOQB-OAQYLSRUSA-N 1 2 299.399 2.174 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000375457306 395094327 /nfs/dbraw/zinc/09/43/27/395094327.db2.gz LYHLRUCTZQNTJS-LLVKDONJSA-N 1 2 259.353 2.130 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000375457306 395094330 /nfs/dbraw/zinc/09/43/30/395094330.db2.gz LYHLRUCTZQNTJS-LLVKDONJSA-N 1 2 259.353 2.130 20 30 CEEDLO C#CCCCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000372251686 395038178 /nfs/dbraw/zinc/03/81/78/395038178.db2.gz MGUCDPTVZPSMIG-CQSZACIVSA-N 1 2 288.395 2.172 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372744730 395045968 /nfs/dbraw/zinc/04/59/68/395045968.db2.gz SQEXOZCLJJISPA-AWEZNQCLSA-N 1 2 288.395 2.234 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000376174032 395111723 /nfs/dbraw/zinc/11/17/23/395111723.db2.gz OCXQYIVQRWEHLL-OAHLLOKOSA-N 1 2 293.370 2.492 20 30 CEEDLO Cc1ccc2ncc(C#N)c(NCC[NH+]3CCOCC3)c2c1 ZINC000291555002 395135554 /nfs/dbraw/zinc/13/55/54/395135554.db2.gz BKPKGNSAEIWMHY-UHFFFAOYSA-N 1 2 296.374 2.159 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C(C)(C)C#N)C[C@H]2C1 ZINC000497146083 395160987 /nfs/dbraw/zinc/16/09/87/395160987.db2.gz IIWHEIPINBVNRC-QWHCGFSZSA-N 1 2 293.411 2.477 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C(C)(C)C#N)C[C@H]2C1 ZINC000497146083 395160990 /nfs/dbraw/zinc/16/09/90/395160990.db2.gz IIWHEIPINBVNRC-QWHCGFSZSA-N 1 2 293.411 2.477 20 30 CEEDLO COC[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000177673358 395154104 /nfs/dbraw/zinc/15/41/04/395154104.db2.gz PCMYKLUZLKWTSC-VIFPVBQESA-N 1 2 256.733 2.206 20 30 CEEDLO C=CCN(Cc1ccccc1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000351883835 395239337 /nfs/dbraw/zinc/23/93/37/395239337.db2.gz CROYOMRXEQECCU-UHFFFAOYSA-N 1 2 283.379 2.439 20 30 CEEDLO C=CCN(Cc1ccccc1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000351883835 395239344 /nfs/dbraw/zinc/23/93/44/395239344.db2.gz CROYOMRXEQECCU-UHFFFAOYSA-N 1 2 283.379 2.439 20 30 CEEDLO COCc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000399487532 395245590 /nfs/dbraw/zinc/24/55/90/395245590.db2.gz DTKGTFVJNIMYKG-UHFFFAOYSA-N 1 2 267.332 2.442 20 30 CEEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(F)(C#N)CC1 ZINC000352448002 395254274 /nfs/dbraw/zinc/25/42/74/395254274.db2.gz DMGVKLWOXOWFAK-LLVKDONJSA-N 1 2 295.383 2.080 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1[N+](=O)[O-] ZINC000352417582 395251190 /nfs/dbraw/zinc/25/11/90/395251190.db2.gz RBKAWQNKDQWCTD-SNVBAGLBSA-N 1 2 263.297 2.195 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1[N+](=O)[O-] ZINC000352417582 395251195 /nfs/dbraw/zinc/25/11/95/395251195.db2.gz RBKAWQNKDQWCTD-SNVBAGLBSA-N 1 2 263.297 2.195 20 30 CEEDLO Cc1csc(NC(=O)NCCc2cn(C)c[nH+]2)c1C#N ZINC000519647139 395202707 /nfs/dbraw/zinc/20/27/07/395202707.db2.gz MJSARRYAKHLRHJ-UHFFFAOYSA-N 1 2 289.364 2.026 20 30 CEEDLO CC#CC[N@H+](C)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000293025929 395214675 /nfs/dbraw/zinc/21/46/75/395214675.db2.gz FVAJUBIWTTYJPO-ZDUSSCGKSA-N 1 2 278.302 2.025 20 30 CEEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000293025929 395214679 /nfs/dbraw/zinc/21/46/79/395214679.db2.gz FVAJUBIWTTYJPO-ZDUSSCGKSA-N 1 2 278.302 2.025 20 30 CEEDLO COCc1ccc(NCc2c[nH+]cn2C)cc1C#N ZINC000527763148 395280475 /nfs/dbraw/zinc/28/04/75/395280475.db2.gz MHQWZWWSWWZNHR-UHFFFAOYSA-N 1 2 256.309 2.050 20 30 CEEDLO C/C(Cl)=C/C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000528342170 395289302 /nfs/dbraw/zinc/28/93/02/395289302.db2.gz OPSIZACKJZZUBX-QCDXTXTGSA-N 1 2 276.771 2.218 20 30 CEEDLO C/C(Cl)=C/C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000528506731 395291470 /nfs/dbraw/zinc/29/14/70/395291470.db2.gz JQWKBZJNAPDQIN-BASWHVEKSA-N 1 2 276.771 2.218 20 30 CEEDLO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000411315040 395326277 /nfs/dbraw/zinc/32/62/77/395326277.db2.gz SIYPANCMFYZBQO-ZDUSSCGKSA-N 1 2 289.354 2.162 20 30 CEEDLO C[C@@H](CCC#N)[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000411315040 395326282 /nfs/dbraw/zinc/32/62/82/395326282.db2.gz SIYPANCMFYZBQO-ZDUSSCGKSA-N 1 2 289.354 2.162 20 30 CEEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352469161 395256980 /nfs/dbraw/zinc/25/69/80/395256980.db2.gz WUTDOGWGUMUXKG-GFCCVEGCSA-N 1 2 269.364 2.009 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354344387 395328492 /nfs/dbraw/zinc/32/84/92/395328492.db2.gz IGZWSPWVEMSHEX-UHFFFAOYSA-N 1 2 299.378 2.463 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000411398582 395328725 /nfs/dbraw/zinc/32/87/25/395328725.db2.gz CQAKQKMSAOENIT-IIYDPXPESA-N 1 2 294.358 2.024 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000411398582 395328730 /nfs/dbraw/zinc/32/87/30/395328730.db2.gz CQAKQKMSAOENIT-IIYDPXPESA-N 1 2 294.358 2.024 20 30 CEEDLO CCN(CCC#N)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000354453093 395332886 /nfs/dbraw/zinc/33/28/86/395332886.db2.gz DPFHXYURCPCGMA-UHFFFAOYSA-N 1 2 284.363 2.497 20 30 CEEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnnn1C1CC1 ZINC000190611036 395340014 /nfs/dbraw/zinc/34/00/14/395340014.db2.gz SSFUGWIXOLFBLH-GHMZBOCLSA-N 1 2 282.351 2.291 20 30 CEEDLO Cc1nnc([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC000412024360 395343968 /nfs/dbraw/zinc/34/39/68/395343968.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000412024360 395343975 /nfs/dbraw/zinc/34/39/75/395343975.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000412024360 395343982 /nfs/dbraw/zinc/34/39/82/395343982.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1nc([C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC000412024360 395343989 /nfs/dbraw/zinc/34/39/89/395343989.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 1 2 284.338 2.093 20 30 CEEDLO Cc1nc([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC000412024360 395343995 /nfs/dbraw/zinc/34/39/95/395343995.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 1 2 284.338 2.093 20 30 CEEDLO CC[C@@]1(C)C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000191144932 395350099 /nfs/dbraw/zinc/35/00/99/395350099.db2.gz 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/nfs/dbraw/zinc/57/88/67/395578867.db2.gz ZIZHLVCDRBRZGF-SECBINFHSA-N 1 2 275.743 2.418 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+](C(C)C)C1COC1 ZINC000451118988 395583795 /nfs/dbraw/zinc/58/37/95/395583795.db2.gz CLLZXNAGZYMETK-UHFFFAOYSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+](C(C)C)C1COC1 ZINC000451118988 395583798 /nfs/dbraw/zinc/58/37/98/395583798.db2.gz CLLZXNAGZYMETK-UHFFFAOYSA-N 1 2 260.337 2.176 20 30 CEEDLO Cc1ccccc1SCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572933963 395594729 /nfs/dbraw/zinc/59/47/29/395594729.db2.gz BLBAEZIOZHMDNA-HNNXBMFYSA-N 1 2 291.420 2.047 20 30 CEEDLO CCOC[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000459673694 395666571 /nfs/dbraw/zinc/66/65/71/395666571.db2.gz JQTUDNZLJFIDKW-LBPRGKRZSA-N 1 2 265.382 2.406 20 30 CEEDLO CCOC[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000459673694 395666573 /nfs/dbraw/zinc/66/65/73/395666573.db2.gz JQTUDNZLJFIDKW-LBPRGKRZSA-N 1 2 265.382 2.406 20 30 CEEDLO C#CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCC1 ZINC000491626361 395670204 /nfs/dbraw/zinc/67/02/04/395670204.db2.gz SCRYUPMISLAVFT-CMDGGOBGSA-N 1 2 257.337 2.217 20 30 CEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000649325611 396121375 /nfs/dbraw/zinc/12/13/75/396121375.db2.gz AUOWFSRRMNNYOM-INIZCTEOSA-N 1 2 285.391 2.300 20 30 CEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000649325611 396121377 /nfs/dbraw/zinc/12/13/77/396121377.db2.gz AUOWFSRRMNNYOM-INIZCTEOSA-N 1 2 285.391 2.300 20 30 CEEDLO C=C(C)[C@@H](CO)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000649393492 396140179 /nfs/dbraw/zinc/14/01/79/396140179.db2.gz WXSSNVRZSPTQDF-WMLDXEAASA-N 1 2 292.398 2.441 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647121250 396413299 /nfs/dbraw/zinc/41/32/99/396413299.db2.gz XYZYUPXRKVXVRA-LBPRGKRZSA-N 1 2 261.369 2.164 20 30 CEEDLO CO[C@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccccc1 ZINC000425271129 400574423 /nfs/dbraw/zinc/57/44/23/400574423.db2.gz UXOJYPQBQCQOJM-INIZCTEOSA-N 1 2 281.359 2.353 20 30 CEEDLO Cc1[nH]nc2ncc(C[N@H+](CCC#N)CC3CC3)cc12 ZINC000353405281 533675182 /nfs/dbraw/zinc/67/51/82/533675182.db2.gz REPIIZLJSBQJQG-UHFFFAOYSA-N 1 2 269.352 2.392 20 30 CEEDLO Cc1[nH]nc2ncc(C[N@@H+](CCC#N)CC3CC3)cc12 ZINC000353405281 533675193 /nfs/dbraw/zinc/67/51/93/533675193.db2.gz REPIIZLJSBQJQG-UHFFFAOYSA-N 1 2 269.352 2.392 20 30 CEEDLO C=CCC(C)(C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652342010 401490631 /nfs/dbraw/zinc/49/06/31/401490631.db2.gz HRHGURAVNXHCNU-UHFFFAOYSA-N 1 2 275.396 2.480 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000360138794 155225861 /nfs/dbraw/zinc/22/58/61/155225861.db2.gz HWCYLKVEABNPOK-NOZJJQNGSA-N 1 2 250.729 2.024 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000360138794 155225864 /nfs/dbraw/zinc/22/58/64/155225864.db2.gz HWCYLKVEABNPOK-NOZJJQNGSA-N 1 2 250.729 2.024 20 30 CEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCC(F)(F)C2)cc1 ZINC000313293378 154210166 /nfs/dbraw/zinc/21/01/66/154210166.db2.gz MQDNYJXYENTSKX-UHFFFAOYSA-N 1 2 279.290 2.228 20 30 CEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC(F)(F)C2)cc1 ZINC000313293378 154210172 /nfs/dbraw/zinc/21/01/72/154210172.db2.gz MQDNYJXYENTSKX-UHFFFAOYSA-N 1 2 279.290 2.228 20 30 CEEDLO Cn1cc[nH+]c1-c1cccc(CNc2nccnc2C#N)c1 ZINC000367440383 156188111 /nfs/dbraw/zinc/18/81/11/156188111.db2.gz DGIXUOSUHXMEKN-UHFFFAOYSA-N 1 2 290.330 2.361 20 30 CEEDLO Cc1cc(C#N)cc(N(C)Cc2cn3c([nH+]2)CCCC3)n1 ZINC000376392426 157218380 /nfs/dbraw/zinc/21/83/80/157218380.db2.gz UGGIWEOYNBGHCE-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285456621 196289500 /nfs/dbraw/zinc/28/95/00/196289500.db2.gz YXVMOOXCTRHLOV-INIZCTEOSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285456621 196289502 /nfs/dbraw/zinc/28/95/02/196289502.db2.gz YXVMOOXCTRHLOV-INIZCTEOSA-N 1 2 290.338 2.079 20 30 CEEDLO N#Cc1ccc(NCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000037306398 173110441 /nfs/dbraw/zinc/11/04/41/173110441.db2.gz UOTVTNFJVXVDTA-UHFFFAOYSA-N 1 2 299.296 2.321 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000663240876 414892307 /nfs/dbraw/zinc/89/23/07/414892307.db2.gz DLULQOPSWBEZKK-LBPRGKRZSA-N 1 2 264.373 2.316 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2COCc3ccccc32)nn1 ZINC000657495750 414974380 /nfs/dbraw/zinc/97/43/80/414974380.db2.gz ZQPDQMIKKHBJBQ-MRXNPFEDSA-N 1 2 284.363 2.215 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000661043422 415073222 /nfs/dbraw/zinc/07/32/22/415073222.db2.gz BUFIBCOLJLQBMI-KBPBESRZSA-N 1 2 288.395 2.196 20 30 CEEDLO C=CC[N@H+](CC(=O)c1cc(C)[nH]c1C)[C@H](C)COC ZINC000661242018 415154237 /nfs/dbraw/zinc/15/42/37/415154237.db2.gz GQCUZADIECTMGV-GFCCVEGCSA-N 1 2 264.369 2.337 20 30 CEEDLO C=CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)[C@H](C)COC ZINC000661242018 415154241 /nfs/dbraw/zinc/15/42/41/415154241.db2.gz GQCUZADIECTMGV-GFCCVEGCSA-N 1 2 264.369 2.337 20 30 CEEDLO C=CCCC(C)(C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664006979 415121212 /nfs/dbraw/zinc/12/12/12/415121212.db2.gz MMKRCLOGNFPWEL-KBPBESRZSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000661384334 415234841 /nfs/dbraw/zinc/23/48/41/415234841.db2.gz IDBIHSGERQNSIA-SNVBAGLBSA-N 1 2 289.305 2.024 20 30 CEEDLO C=CC[C@@H]1CCC[N@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000661384334 415234847 /nfs/dbraw/zinc/23/48/47/415234847.db2.gz IDBIHSGERQNSIA-SNVBAGLBSA-N 1 2 289.305 2.024 20 30 CEEDLO C=CC[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000664255212 415244423 /nfs/dbraw/zinc/24/44/23/415244423.db2.gz IMXCIYJAWWGMAN-NSHDSACASA-N 1 2 260.341 2.073 20 30 CEEDLO C=CC[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000664255212 415244432 /nfs/dbraw/zinc/24/44/32/415244432.db2.gz IMXCIYJAWWGMAN-NSHDSACASA-N 1 2 260.341 2.073 20 30 CEEDLO C=CCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000661570202 415331939 /nfs/dbraw/zinc/33/19/39/415331939.db2.gz CKZJZALLLNOWQY-CQSZACIVSA-N 1 2 288.395 2.046 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827232 415492340 /nfs/dbraw/zinc/49/23/40/415492340.db2.gz HKHSHXUEUITLEV-GXTWGEPZSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827232 415492345 /nfs/dbraw/zinc/49/23/45/415492345.db2.gz HKHSHXUEUITLEV-GXTWGEPZSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664830267 415492973 /nfs/dbraw/zinc/49/29/73/415492973.db2.gz UOSJXPFQTZPIQU-GJZGRUSLSA-N 1 2 285.391 2.251 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664830267 415492981 /nfs/dbraw/zinc/49/29/81/415492981.db2.gz UOSJXPFQTZPIQU-GJZGRUSLSA-N 1 2 285.391 2.251 20 30 CEEDLO C=CC[N@@H+](Cc1nnnn1CCCC)C(C)(C)C ZINC000661756012 415446222 /nfs/dbraw/zinc/44/62/22/415446222.db2.gz YRPRCDMRBWRUCI-UHFFFAOYSA-N 1 2 251.378 2.260 20 30 CEEDLO C=CC[N@H+](Cc1nnnn1CCCC)C(C)(C)C ZINC000661756012 415446226 /nfs/dbraw/zinc/44/62/26/415446226.db2.gz YRPRCDMRBWRUCI-UHFFFAOYSA-N 1 2 251.378 2.260 20 30 CEEDLO C=CCC1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000664713924 415458138 /nfs/dbraw/zinc/45/81/38/415458138.db2.gz BMYWMMYEFYBLJU-ZDUSSCGKSA-N 1 2 288.395 2.386 20 30 CEEDLO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)C1 ZINC000655795798 415471779 /nfs/dbraw/zinc/47/17/79/415471779.db2.gz BTAZFHMZJHDXNI-UPJWGTAASA-N 1 2 276.384 2.491 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656156378 415617157 /nfs/dbraw/zinc/61/71/57/415617157.db2.gz WQLZQLWBEMTDDJ-CYBMUJFWSA-N 1 2 262.357 2.196 20 30 CEEDLO C=C(CC)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656252838 415662231 /nfs/dbraw/zinc/66/22/31/415662231.db2.gz GSMDYMGETISZDH-ZDUSSCGKSA-N 1 2 262.357 2.196 20 30 CEEDLO C=CCOCC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662241795 415705551 /nfs/dbraw/zinc/70/55/51/415705551.db2.gz XMNVCDNJHOWLNU-GHMZBOCLSA-N 1 2 267.291 2.231 20 30 CEEDLO C=CCOCC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662241795 415705556 /nfs/dbraw/zinc/70/55/56/415705556.db2.gz XMNVCDNJHOWLNU-GHMZBOCLSA-N 1 2 267.291 2.231 20 30 CEEDLO C#CC[N@@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000072185126 176335774 /nfs/dbraw/zinc/33/57/74/176335774.db2.gz GCDBXDOAKCGRBB-UHFFFAOYSA-N 1 2 256.305 2.415 20 30 CEEDLO C#CC[N@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000072185126 176335775 /nfs/dbraw/zinc/33/57/75/176335775.db2.gz GCDBXDOAKCGRBB-UHFFFAOYSA-N 1 2 256.305 2.415 20 30 CEEDLO C=CCCn1cc(CNc2ccc(N3CCCC3)[nH+]c2)nn1 ZINC000656768934 415850455 /nfs/dbraw/zinc/85/04/55/415850455.db2.gz PRMUTRVUCFMOBN-UHFFFAOYSA-N 1 2 298.394 2.462 20 30 CEEDLO C#CC[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000076968354 177136216 /nfs/dbraw/zinc/13/62/16/177136216.db2.gz XDBGHHYRAKGPFL-AWEZNQCLSA-N 1 2 296.374 2.048 20 30 CEEDLO CCC[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000566741027 299019490 /nfs/dbraw/zinc/01/94/90/299019490.db2.gz RAHVELQHJAPCLE-AWEZNQCLSA-N 1 2 289.335 2.467 20 30 CEEDLO CCC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000566741027 299019493 /nfs/dbraw/zinc/01/94/93/299019493.db2.gz RAHVELQHJAPCLE-AWEZNQCLSA-N 1 2 289.335 2.467 20 30 CEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000336561381 227119402 /nfs/dbraw/zinc/11/94/02/227119402.db2.gz ISIZEWZUYVMBRT-NWDGAFQWSA-N 1 2 277.393 2.113 20 30 CEEDLO O=C(C[C@H]1CCOC1)NCc1ccn2cc[nH+]c2c1 ZINC000330030115 228022163 /nfs/dbraw/zinc/02/21/63/228022163.db2.gz RBLYMASBDGCDHF-GFCCVEGCSA-N 1 2 259.309 2.217 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC1CC(F)(F)C1 ZINC000330235276 228075243 /nfs/dbraw/zinc/07/52/43/228075243.db2.gz GVEPCAASQWHFGU-VIFPVBQESA-N 1 2 284.310 2.062 20 30 CEEDLO C[C@H](C1CC1)N(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330286406 228093645 /nfs/dbraw/zinc/09/36/45/228093645.db2.gz ZVLVNFWXABNJBV-DGCLKSJQSA-N 1 2 288.395 2.375 20 30 CEEDLO C[C@H](C1CC1)N(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330286406 228093647 /nfs/dbraw/zinc/09/36/47/228093647.db2.gz ZVLVNFWXABNJBV-DGCLKSJQSA-N 1 2 288.395 2.375 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331793544 228128991 /nfs/dbraw/zinc/12/89/91/228128991.db2.gz QJFVTKXOTOSRFK-KOLCDFICSA-N 1 2 285.307 2.253 20 30 CEEDLO COCCOc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000352097909 228182784 /nfs/dbraw/zinc/18/27/84/228182784.db2.gz XEYWMCLKMKZRGI-CYBMUJFWSA-N 1 2 262.353 2.303 20 30 CEEDLO COCCOc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000352097909 228182785 /nfs/dbraw/zinc/18/27/85/228182785.db2.gz XEYWMCLKMKZRGI-CYBMUJFWSA-N 1 2 262.353 2.303 20 30 CEEDLO C#CC[C@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)c1ccccc1 ZINC000298975928 260170252 /nfs/dbraw/zinc/17/02/52/260170252.db2.gz QVAPZWNPUXSTQN-ZFWWWQNUSA-N 1 2 296.374 2.446 20 30 CEEDLO C#CC[C@H](Nc1cc(NC[C@H](C)O)nc[nH+]1)c1ccccc1 ZINC000298975928 260170253 /nfs/dbraw/zinc/17/02/53/260170253.db2.gz QVAPZWNPUXSTQN-ZFWWWQNUSA-N 1 2 296.374 2.446 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCCN2CCOC2=O)c1O ZINC000077165999 260295440 /nfs/dbraw/zinc/29/54/40/260295440.db2.gz BHOSSPMRSIJRCP-LFIBNONCSA-N 1 2 292.335 2.052 20 30 CEEDLO CC[N@H+](CCC#N)Cc1ccc(OCCOC)cc1 ZINC000127668904 260803236 /nfs/dbraw/zinc/80/32/36/260803236.db2.gz OIXDDRJASIZRQE-UHFFFAOYSA-N 1 2 262.353 2.447 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1ccc(OCCOC)cc1 ZINC000127668904 260803237 /nfs/dbraw/zinc/80/32/37/260803237.db2.gz OIXDDRJASIZRQE-UHFFFAOYSA-N 1 2 262.353 2.447 20 30 CEEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000154777970 261094697 /nfs/dbraw/zinc/09/46/97/261094697.db2.gz ZKIGVGHCYSHZOQ-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO Cc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)s1 ZINC000154777970 261094698 /nfs/dbraw/zinc/09/46/98/261094698.db2.gz ZKIGVGHCYSHZOQ-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO Cc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)s1 ZINC000154777970 261094699 /nfs/dbraw/zinc/09/46/99/261094699.db2.gz ZKIGVGHCYSHZOQ-UHFFFAOYSA-N 1 2 293.436 2.104 20 30 CEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000155260599 261100129 /nfs/dbraw/zinc/10/01/29/261100129.db2.gz NLZOUVNLLBGIRI-SFHVURJKSA-N 1 2 292.386 2.464 20 30 CEEDLO N#CC[N@@H+](C[C@@H](O)Cc1ccccc1)C1CCCC1 ZINC000156640890 261128254 /nfs/dbraw/zinc/12/82/54/261128254.db2.gz SQYDQQIKGJVFDT-INIZCTEOSA-N 1 2 258.365 2.358 20 30 CEEDLO N#CC[N@H+](C[C@@H](O)Cc1ccccc1)C1CCCC1 ZINC000156640890 261128255 /nfs/dbraw/zinc/12/82/55/261128255.db2.gz SQYDQQIKGJVFDT-INIZCTEOSA-N 1 2 258.365 2.358 20 30 CEEDLO C=CCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000448392312 261140464 /nfs/dbraw/zinc/14/04/64/261140464.db2.gz WPRMNGZBFKUNMI-CQSZACIVSA-N 1 2 290.411 2.350 20 30 CEEDLO C=CC[N@@H+](CCCS(C)(=O)=O)Cc1cccs1 ZINC000103139054 261274653 /nfs/dbraw/zinc/27/46/53/261274653.db2.gz ZYNCWOUIXSARRL-UHFFFAOYSA-N 1 2 273.423 2.171 20 30 CEEDLO C=CC[N@H+](CCCS(C)(=O)=O)Cc1cccs1 ZINC000103139054 261274655 /nfs/dbraw/zinc/27/46/55/261274655.db2.gz ZYNCWOUIXSARRL-UHFFFAOYSA-N 1 2 273.423 2.171 20 30 CEEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](C#N)CCC#N ZINC000178407639 261740540 /nfs/dbraw/zinc/74/05/40/261740540.db2.gz PQSJITURTMRIMG-VBKZILBWSA-N 1 2 289.404 2.299 20 30 CEEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](C#N)CCC#N ZINC000178407639 261740542 /nfs/dbraw/zinc/74/05/42/261740542.db2.gz PQSJITURTMRIMG-VBKZILBWSA-N 1 2 289.404 2.299 20 30 CEEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185473709 262055806 /nfs/dbraw/zinc/05/58/06/262055806.db2.gz OPGCVYKRMCRTMX-OAHLLOKOSA-N 1 2 283.375 2.414 20 30 CEEDLO COCCCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186837130 262112160 /nfs/dbraw/zinc/11/21/60/262112160.db2.gz QUBHZRNFXWIWOV-UHFFFAOYSA-N 1 2 288.294 2.059 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)CC(F)(F)F ZINC000189511203 262172439 /nfs/dbraw/zinc/17/24/39/262172439.db2.gz NZTJDDCATJDWSZ-LBPRGKRZSA-N 1 2 287.285 2.111 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)CC(F)(F)F ZINC000189511203 262172440 /nfs/dbraw/zinc/17/24/40/262172440.db2.gz NZTJDDCATJDWSZ-LBPRGKRZSA-N 1 2 287.285 2.111 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000192230566 262200255 /nfs/dbraw/zinc/20/02/55/262200255.db2.gz BUYMDLRSHWKZAU-HNNXBMFYSA-N 1 2 283.375 2.195 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000192230566 262200256 /nfs/dbraw/zinc/20/02/56/262200256.db2.gz BUYMDLRSHWKZAU-HNNXBMFYSA-N 1 2 283.375 2.195 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000192230558 262200419 /nfs/dbraw/zinc/20/04/19/262200419.db2.gz BUYMDLRSHWKZAU-OAHLLOKOSA-N 1 2 283.375 2.195 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000192230558 262200420 /nfs/dbraw/zinc/20/04/20/262200420.db2.gz BUYMDLRSHWKZAU-OAHLLOKOSA-N 1 2 283.375 2.195 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364391589 262225811 /nfs/dbraw/zinc/22/58/11/262225811.db2.gz UHZLAOYQNLDWFV-ZDUSSCGKSA-N 1 2 280.331 2.150 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000193996553 262231851 /nfs/dbraw/zinc/23/18/51/262231851.db2.gz AQOZHXFZCJQETQ-LBPRGKRZSA-N 1 2 277.368 2.028 20 30 CEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccoc1C ZINC000193996553 262231853 /nfs/dbraw/zinc/23/18/53/262231853.db2.gz AQOZHXFZCJQETQ-LBPRGKRZSA-N 1 2 277.368 2.028 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000337610401 262463268 /nfs/dbraw/zinc/46/32/68/262463268.db2.gz VPONZLRWXOKXQS-YPMHNXCESA-N 1 2 276.384 2.333 20 30 CEEDLO C=CCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413264226 262758239 /nfs/dbraw/zinc/75/82/39/262758239.db2.gz JROSBBDWLVAGMG-CHWSQXEVSA-N 1 2 276.384 2.062 20 30 CEEDLO C=CCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413264226 262758240 /nfs/dbraw/zinc/75/82/40/262758240.db2.gz JROSBBDWLVAGMG-CHWSQXEVSA-N 1 2 276.384 2.062 20 30 CEEDLO C[C@H]1C[C@@H](CC/[NH+]=C/c2ccc(O)c(O)c2O)CCO1 ZINC000273364918 263016105 /nfs/dbraw/zinc/01/61/05/263016105.db2.gz UGQMFGWOSQYPLN-VLBYMVCWSA-N 1 2 279.336 2.428 20 30 CEEDLO CCOC(CC/[NH+]=C/c1ccc(O)c(O)c1O)OCC ZINC000276377573 263036593 /nfs/dbraw/zinc/03/65/93/263036593.db2.gz PURVTADUYDREAV-OQLLNIDSSA-N 1 2 283.324 2.012 20 30 CEEDLO CC(C)(C#N)CCn1c2ccccc2[nH+]c1NCCO ZINC000281793808 263071843 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281.381 2.001 20 30 CEEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](C)CC1 ZINC000336122164 280261344 /nfs/dbraw/zinc/26/13/44/280261344.db2.gz VQRPUTWRGKWXOS-UHFFFAOYSA-N 1 2 299.399 2.469 20 30 CEEDLO Cc1cc(C#N)nc(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000281265551 280318634 /nfs/dbraw/zinc/31/86/34/280318634.db2.gz VYIANOMXJFONGD-UHFFFAOYSA-N 1 2 296.378 2.076 20 30 CEEDLO O=C(Nc1nnc(C2CCC2)[nH]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330219640 280397984 /nfs/dbraw/zinc/39/79/84/280397984.db2.gz KGAHCMNZGSWWON-NSHDSACASA-N 1 2 275.356 2.287 20 30 CEEDLO O=C(Nc1nnc(C2CCC2)[nH]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330219640 280397986 /nfs/dbraw/zinc/39/79/86/280397986.db2.gz KGAHCMNZGSWWON-NSHDSACASA-N 1 2 275.356 2.287 20 30 CEEDLO O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330219640 280397987 /nfs/dbraw/zinc/39/79/87/280397987.db2.gz KGAHCMNZGSWWON-NSHDSACASA-N 1 2 275.356 2.287 20 30 CEEDLO O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330219640 280397988 /nfs/dbraw/zinc/39/79/88/280397988.db2.gz KGAHCMNZGSWWON-NSHDSACASA-N 1 2 275.356 2.287 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1snc(Cl)c1C#N)CC2 ZINC000374710797 281546854 /nfs/dbraw/zinc/54/68/54/281546854.db2.gz FFLMPYHTHLZIIS-UHFFFAOYSA-N 1 2 279.756 2.193 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000378396623 290219686 /nfs/dbraw/zinc/21/96/86/290219686.db2.gz OZQUKDBOGUQLEC-RHSMWYFYSA-N 1 2 285.391 2.026 20 30 CEEDLO Cc1oc(NC(=O)C[NH+]2C3CCC2CC3)c(C#N)c1C ZINC000532466916 298145103 /nfs/dbraw/zinc/14/51/03/298145103.db2.gz UUMSESQZNPLKDD-UHFFFAOYSA-N 1 2 273.336 2.333 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nnc(C)o1 ZINC000542615999 298295150 /nfs/dbraw/zinc/29/51/50/298295150.db2.gz OBZWABHPHTYPLO-SECBINFHSA-N 1 2 272.308 2.109 20 30 CEEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000567327781 299052977 /nfs/dbraw/zinc/05/29/77/299052977.db2.gz ABGSUZCNNSFZNI-INIZCTEOSA-N 1 2 281.363 2.414 20 30 CEEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567327781 299052978 /nfs/dbraw/zinc/05/29/78/299052978.db2.gz ABGSUZCNNSFZNI-INIZCTEOSA-N 1 2 281.363 2.414 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1nc(C#N)cs1 ZINC000565629538 313830550 /nfs/dbraw/zinc/83/05/50/313830550.db2.gz BNYKBXUCSITRCQ-UHFFFAOYSA-N 1 2 287.392 2.180 20 30 CEEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(C#N)c(C)c1 ZINC000570877200 314062658 /nfs/dbraw/zinc/06/26/58/314062658.db2.gz BZQROIMJQNOXBD-UHFFFAOYSA-N 1 2 260.337 2.252 20 30 CEEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C#N)c(C)c1 ZINC000570877200 314062661 /nfs/dbraw/zinc/06/26/61/314062661.db2.gz BZQROIMJQNOXBD-UHFFFAOYSA-N 1 2 260.337 2.252 20 30 CEEDLO Cc1cnc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)s1 ZINC000573921222 314182805 /nfs/dbraw/zinc/18/28/05/314182805.db2.gz NFTNKZHDCKQUGR-JTQLQIEISA-N 1 2 298.375 2.217 20 30 CEEDLO C[C@H](C#N)CN(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000338292694 327976423 /nfs/dbraw/zinc/97/64/23/327976423.db2.gz QEVGKEZZSNAEAT-GFCCVEGCSA-N 1 2 282.347 2.027 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)CC#N)ccn12 ZINC000563376272 328058446 /nfs/dbraw/zinc/05/84/46/328058446.db2.gz ICHNSTHYYICDJE-SNVBAGLBSA-N 1 2 256.309 2.017 20 30 CEEDLO C=CCCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413164332 328141557 /nfs/dbraw/zinc/14/15/57/328141557.db2.gz YZQZUQITFYBEIU-ZIAGYGMSSA-N 1 2 290.411 2.086 20 30 CEEDLO C=CCCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413164332 328141559 /nfs/dbraw/zinc/14/15/59/328141559.db2.gz YZQZUQITFYBEIU-ZIAGYGMSSA-N 1 2 290.411 2.086 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000264684372 328161434 /nfs/dbraw/zinc/16/14/34/328161434.db2.gz BRENMIREPFOPGH-UHFFFAOYSA-N 1 2 277.412 2.449 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000264684372 328161435 /nfs/dbraw/zinc/16/14/35/328161435.db2.gz BRENMIREPFOPGH-UHFFFAOYSA-N 1 2 277.412 2.449 20 30 CEEDLO Cc1cc(C)c(CNC(=O)NCC(C)(C)CC#N)c[nH+]1 ZINC000459074296 329141365 /nfs/dbraw/zinc/14/13/65/329141365.db2.gz JWTYHEVYFGPFJR-UHFFFAOYSA-N 1 2 274.368 2.438 20 30 CEEDLO CO[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284451296 328245950 /nfs/dbraw/zinc/24/59/50/328245950.db2.gz QATWOZKCEHBDDC-STQMWFEESA-N 1 2 298.770 2.495 20 30 CEEDLO NC(=[NH+]OCc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000284449719 328245973 /nfs/dbraw/zinc/24/59/73/328245973.db2.gz PWOLZLASZRNLQL-NSHDSACASA-N 1 2 272.707 2.447 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000535080472 328385156 /nfs/dbraw/zinc/38/51/56/328385156.db2.gz XURMKDWQDBUJSJ-GFCCVEGCSA-N 1 2 299.461 2.486 20 30 CEEDLO C=CC[N@H+](Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000535080472 328385158 /nfs/dbraw/zinc/38/51/58/328385158.db2.gz XURMKDWQDBUJSJ-GFCCVEGCSA-N 1 2 299.461 2.486 20 30 CEEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000076185260 328485767 /nfs/dbraw/zinc/48/57/67/328485767.db2.gz VYRHRMXWFKQNSC-ZDUSSCGKSA-N 1 2 288.778 2.086 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(C#N)CCCC1 ZINC000131506073 328491820 /nfs/dbraw/zinc/49/18/20/328491820.db2.gz URBJAAWKGZHLSE-UHFFFAOYSA-N 1 2 274.368 2.239 20 30 CEEDLO C=C[C@@H](CO)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000289980602 328528299 /nfs/dbraw/zinc/52/82/99/328528299.db2.gz XWRNHEKWRBWJGE-QWHCGFSZSA-N 1 2 255.308 2.389 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000584061154 326912498 /nfs/dbraw/zinc/91/24/98/326912498.db2.gz CGTFAJLNVFQFMH-ZDUSSCGKSA-N 1 2 264.300 2.474 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000584168893 327055661 /nfs/dbraw/zinc/05/56/61/327055661.db2.gz UFYWXFMKRPBTHA-ZFWWWQNUSA-N 1 2 296.374 2.272 20 30 CEEDLO C=C(C)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000089508350 327170631 /nfs/dbraw/zinc/17/06/31/327170631.db2.gz KVVKWGMRMGTTQJ-UHFFFAOYSA-N 1 2 274.368 2.285 20 30 CEEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)c(OC)c1OC ZINC000168937807 327494214 /nfs/dbraw/zinc/49/42/14/327494214.db2.gz FIOFIBLOTDQBPA-UHFFFAOYSA-N 1 2 278.352 2.352 20 30 CEEDLO Cc1ccnc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc12 ZINC000570454787 327592971 /nfs/dbraw/zinc/59/29/71/327592971.db2.gz IAZLXWFGVNCIJY-KRWDZBQOSA-N 1 2 296.374 2.117 20 30 CEEDLO C=CC1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000377972666 329036154 /nfs/dbraw/zinc/03/61/54/329036154.db2.gz YWARCHYNDSDYAU-ZDUSSCGKSA-N 1 2 259.353 2.185 20 30 CEEDLO COc1cc2c(c(OC)c1OC)CC[N@H+](CCC#N)CC2 ZINC000378190708 329042783 /nfs/dbraw/zinc/04/27/83/329042783.db2.gz FMFVWSBBNGOKHG-UHFFFAOYSA-N 1 2 290.363 2.027 20 30 CEEDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](CCC#N)CC2 ZINC000378190708 329042784 /nfs/dbraw/zinc/04/27/84/329042784.db2.gz FMFVWSBBNGOKHG-UHFFFAOYSA-N 1 2 290.363 2.027 20 30 CEEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)CCCC#N)c1 ZINC000583696854 329067849 /nfs/dbraw/zinc/06/78/49/329067849.db2.gz KXBARJNVKWBQTK-UHFFFAOYSA-N 1 2 283.335 2.340 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176257796 329175962 /nfs/dbraw/zinc/17/59/62/329175962.db2.gz GDONBZMGYGHBPL-CYBMUJFWSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176257796 329175964 /nfs/dbraw/zinc/17/59/64/329175964.db2.gz GDONBZMGYGHBPL-CYBMUJFWSA-N 1 2 263.385 2.013 20 30 CEEDLO C[N@@H+]1CC[C@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185603699 329327659 /nfs/dbraw/zinc/32/76/59/329327659.db2.gz VLRGCVFXYBLXID-JSGCOSHPSA-N 1 2 295.745 2.254 20 30 CEEDLO C[N@H+]1CC[C@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185603699 329327661 /nfs/dbraw/zinc/32/76/61/329327661.db2.gz VLRGCVFXYBLXID-JSGCOSHPSA-N 1 2 295.745 2.254 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)NCC3(C#N)CCC3)cn2c1 ZINC000419430724 329728347 /nfs/dbraw/zinc/72/83/47/329728347.db2.gz VKDZWDOURXOTDV-UHFFFAOYSA-N 1 2 297.362 2.136 20 30 CEEDLO Cc1cc(CNC(=O)NCCCCC#N)cc(C)[nH+]1 ZINC000420803370 329783771 /nfs/dbraw/zinc/78/37/71/329783771.db2.gz SRZLTGCHTVTOPJ-UHFFFAOYSA-N 1 2 260.341 2.192 20 30 CEEDLO C=CCC[C@@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000421816330 330085803 /nfs/dbraw/zinc/08/58/03/330085803.db2.gz PMCIVJSLGGDXAM-ZDUSSCGKSA-N 1 2 273.336 2.085 20 30 CEEDLO C=CCCCCCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000423200425 330176776 /nfs/dbraw/zinc/17/67/76/330176776.db2.gz FMTYZSKNXRRCIL-LBPRGKRZSA-N 1 2 267.398 2.348 20 30 CEEDLO CCC(C#N)(CC)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000528271489 330318178 /nfs/dbraw/zinc/31/81/78/330318178.db2.gz VRSUEZHALOKFOS-UHFFFAOYSA-N 1 2 297.362 2.213 20 30 CEEDLO C=CCN(C)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000428289207 330519250 /nfs/dbraw/zinc/51/92/50/330519250.db2.gz SKOTZBRYVOMPBY-UHFFFAOYSA-N 1 2 296.374 2.077 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@]1(C#N)C[C@H]1C ZINC000451192947 331019798 /nfs/dbraw/zinc/01/97/98/331019798.db2.gz WWHFIWKJEYCRNE-CZUORRHYSA-N 1 2 288.395 2.234 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451829717 331044010 /nfs/dbraw/zinc/04/40/10/331044010.db2.gz CGJNPHGPDVJEKI-JSGCOSHPSA-N 1 2 274.364 2.497 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451829717 331044011 /nfs/dbraw/zinc/04/40/11/331044011.db2.gz CGJNPHGPDVJEKI-JSGCOSHPSA-N 1 2 274.364 2.497 20 30 CEEDLO C=C(CC)CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000454706133 331151898 /nfs/dbraw/zinc/15/18/98/331151898.db2.gz DCTYUMMMUGMWQE-ZDUSSCGKSA-N 1 2 276.384 2.334 20 30 CEEDLO C=CCCCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454879979 331155598 /nfs/dbraw/zinc/15/55/98/331155598.db2.gz WJOJYMMBLBCKRB-NSHDSACASA-N 1 2 250.346 2.229 20 30 CEEDLO C=C(C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455329257 331166363 /nfs/dbraw/zinc/16/63/63/331166363.db2.gz SKUKFHLMXYGOPT-NSHDSACASA-N 1 2 250.346 2.229 20 30 CEEDLO C=CCOc1cccc(C[NH+]2CC(OCCOCC)C2)c1 ZINC000459458063 331282353 /nfs/dbraw/zinc/28/23/53/331282353.db2.gz JJVHQAOGVGNSAQ-UHFFFAOYSA-N 1 2 291.391 2.489 20 30 CEEDLO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459457747 331282405 /nfs/dbraw/zinc/28/24/05/331282405.db2.gz DIFNTFNJMWWPDZ-QWHCGFSZSA-N 1 2 287.363 2.306 20 30 CEEDLO C=CCOc1cccc(C[NH+]2CC(OCCOC)C2)c1 ZINC000459460189 331282435 /nfs/dbraw/zinc/28/24/35/331282435.db2.gz JABLLJFSNJXMEV-UHFFFAOYSA-N 1 2 277.364 2.099 20 30 CEEDLO CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000459459619 331282441 /nfs/dbraw/zinc/28/24/41/331282441.db2.gz GRURKAZUGIXXJH-HIFRSBDPSA-N 1 2 285.347 2.110 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)c1c[nH]c2ncccc12 ZINC000459462125 331282751 /nfs/dbraw/zinc/28/27/51/331282751.db2.gz JZAZPDAWSYLTFC-MJVIPROJSA-N 1 2 282.347 2.416 20 30 CEEDLO COC(=O)c1cccc2c1CC[N@H+](C[C@H](C#N)CCC#N)C2 ZINC000459544507 331286993 /nfs/dbraw/zinc/28/69/93/331286993.db2.gz ZZSGYFWOAHBHSW-ZDUSSCGKSA-N 1 2 297.358 2.275 20 30 CEEDLO COC(=O)c1cccc2c1CC[N@@H+](C[C@H](C#N)CCC#N)C2 ZINC000459544507 331286994 /nfs/dbraw/zinc/28/69/94/331286994.db2.gz ZZSGYFWOAHBHSW-ZDUSSCGKSA-N 1 2 297.358 2.275 20 30 CEEDLO COC1C[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000459588910 331289544 /nfs/dbraw/zinc/28/95/44/331289544.db2.gz WXSZFHXZINDJBI-UHFFFAOYSA-N 1 2 260.337 2.200 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459688000 331294494 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ZINC000490779514 332114819 /nfs/dbraw/zinc/11/48/19/332114819.db2.gz XTZOCHIYTWWLIT-JTQLQIEISA-N 1 2 266.291 2.247 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1cc(OC)ccc1OCOC ZINC000490923026 332129641 /nfs/dbraw/zinc/12/96/41/332129641.db2.gz IHYOWXMMTDGRPZ-UHFFFAOYSA-N 1 2 287.359 2.136 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1cc(OC)ccc1OCOC ZINC000490923026 332129642 /nfs/dbraw/zinc/12/96/42/332129642.db2.gz IHYOWXMMTDGRPZ-UHFFFAOYSA-N 1 2 287.359 2.136 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(Br)c1 ZINC000491201142 332164548 /nfs/dbraw/zinc/16/45/48/332164548.db2.gz FRHMIYYMOUREEN-UHFFFAOYSA-N 1 2 277.165 2.303 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccnc(Br)c1 ZINC000491201142 332164549 /nfs/dbraw/zinc/16/45/49/332164549.db2.gz FRHMIYYMOUREEN-UHFFFAOYSA-N 1 2 277.165 2.303 20 30 CEEDLO C#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000491232086 332171478 /nfs/dbraw/zinc/17/14/78/332171478.db2.gz XZRNYVGTKMXCCP-CQSZACIVSA-N 1 2 287.750 2.486 20 30 CEEDLO C#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 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/nfs/dbraw/zinc/76/00/58/574760058.db2.gz KOYKFFFXHQDWMJ-UHFFFAOYSA-N 1 2 268.744 2.404 20 30 CEEDLO Clc1ccc2[nH+]cc(CN=Nc3ncccn3)n2c1 ZINC000737428629 574833478 /nfs/dbraw/zinc/83/34/78/574833478.db2.gz CMYOBAJAUMDKCC-UHFFFAOYSA-N 1 2 272.699 2.224 20 30 CEEDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NO)cc3)cn2c1 ZINC000746263214 575153051 /nfs/dbraw/zinc/15/30/51/575153051.db2.gz BMNYFSDUFIDMHE-UHFFFAOYSA-N 1 2 297.314 2.341 20 30 CEEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000752077001 575304925 /nfs/dbraw/zinc/30/49/25/575304925.db2.gz UVNKFWATVZRBCV-SFHVURJKSA-N 1 2 296.414 2.458 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(C(C)C)n2)C1 ZINC000950773627 612992251 /nfs/dbraw/zinc/99/22/51/612992251.db2.gz NQCHVJCYLROFJN-UHFFFAOYSA-N 1 2 299.418 2.375 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC000950490290 613294643 /nfs/dbraw/zinc/29/46/43/613294643.db2.gz XIWWMONHHPGGRI-CVEARBPZSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc3nccn32)C1 ZINC000950865562 613296834 /nfs/dbraw/zinc/29/68/34/613296834.db2.gz OQKNFZWRGWXVTN-UHFFFAOYSA-N 1 2 298.390 2.057 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnn2CCC)C1 ZINC000950429292 613297100 /nfs/dbraw/zinc/29/71/00/613297100.db2.gz FBORWRBZOYMYJV-UHFFFAOYSA-N 1 2 290.411 2.016 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC000956956204 613297489 /nfs/dbraw/zinc/29/74/89/613297489.db2.gz KPVCBTATGVHRJR-UHFFFAOYSA-N 1 2 293.798 2.457 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nccc3[nH]ccc32)C1 ZINC000951764071 613297914 /nfs/dbraw/zinc/29/79/14/613297914.db2.gz UXFIOAMVGUFWHS-UHFFFAOYSA-N 1 2 298.390 2.285 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc[nH]c2C)C1 ZINC000969472910 613372329 /nfs/dbraw/zinc/37/23/29/613372329.db2.gz XKICZEIIRPGOKO-JTQLQIEISA-N 1 2 281.787 2.126 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]cc2C)C1 ZINC000970873829 613372348 /nfs/dbraw/zinc/37/23/48/613372348.db2.gz FPOBHMGSUNCZKB-NSHDSACASA-N 1 2 281.787 2.126 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2onc(C)c2C)C1 ZINC000969923702 613372628 /nfs/dbraw/zinc/37/26/28/613372628.db2.gz UEAIDXBORUHECF-NSHDSACASA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000965068753 613375756 /nfs/dbraw/zinc/37/57/56/613375756.db2.gz UDDNTPZCMFKNFX-ZWNOBZJWSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000965068753 613375757 /nfs/dbraw/zinc/37/57/57/613375757.db2.gz UDDNTPZCMFKNFX-ZWNOBZJWSA-N 1 2 281.787 2.207 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC2(F)F)C(C)(C)C1 ZINC000974562957 613379781 /nfs/dbraw/zinc/37/97/81/613379781.db2.gz ZJFFGRXUBCXNGR-NXEZZACHSA-N 1 2 292.757 2.221 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC2(F)F)C(C)(C)C1 ZINC000974562957 613379782 /nfs/dbraw/zinc/37/97/82/613379782.db2.gz ZJFFGRXUBCXNGR-NXEZZACHSA-N 1 2 292.757 2.221 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC000950060802 613653445 /nfs/dbraw/zinc/65/34/45/613653445.db2.gz YWYNTBLUQPCSEH-CHWSQXEVSA-N 1 2 268.376 2.233 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H](CCC)C2)C1 ZINC000957040617 613655563 /nfs/dbraw/zinc/65/55/63/613655563.db2.gz APVLATAWVWDTSK-GOEBONIOSA-N 1 2 294.439 2.300 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc3n(c2)CCCC3)C1 ZINC000957479066 613656944 /nfs/dbraw/zinc/65/69/44/613656944.db2.gz RDQFFOWJKRICIM-UHFFFAOYSA-N 1 2 287.407 2.157 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000951113176 613710492 /nfs/dbraw/zinc/71/04/92/613710492.db2.gz VELNMRPGWFUSNA-OAHLLOKOSA-N 1 2 280.412 2.054 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 ZINC000957050183 613717352 /nfs/dbraw/zinc/71/73/52/613717352.db2.gz ZMCWSXRVXIOAKY-UHFFFAOYSA-N 1 2 299.296 2.044 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccn1 ZINC001024293054 625505306 /nfs/dbraw/zinc/50/53/06/625505306.db2.gz OZGCHDHQDBDWRS-ZDUSSCGKSA-N 1 2 293.798 2.418 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccn1 ZINC001024293054 625505318 /nfs/dbraw/zinc/50/53/18/625505318.db2.gz OZGCHDHQDBDWRS-ZDUSSCGKSA-N 1 2 293.798 2.418 20 30 CEEDLO C=CCCC(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000177073609 625514450 /nfs/dbraw/zinc/51/44/50/625514450.db2.gz YTJNUYTZBPRHHG-CYBMUJFWSA-N 1 2 297.395 2.302 20 30 CEEDLO C=CCCC(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000177073609 625514456 /nfs/dbraw/zinc/51/44/56/625514456.db2.gz YTJNUYTZBPRHHG-CYBMUJFWSA-N 1 2 297.395 2.302 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001024340269 625518862 /nfs/dbraw/zinc/51/88/62/625518862.db2.gz YCQJRFJZEBXNLR-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001024340269 625518871 /nfs/dbraw/zinc/51/88/71/625518871.db2.gz YCQJRFJZEBXNLR-LBPRGKRZSA-N 1 2 296.802 2.055 20 30 CEEDLO Cc1nc(CO[NH+]=C(N)c2ccc(F)cc2)cs1 ZINC000049441845 622544511 /nfs/dbraw/zinc/54/45/11/622544511.db2.gz PEELRCUTUUSYET-UHFFFAOYSA-N 1 2 265.313 2.428 20 30 CEEDLO C#C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000890654703 622754742 /nfs/dbraw/zinc/75/47/42/622754742.db2.gz GOQPENWWOJKBNV-GJZGRUSLSA-N 1 2 273.380 2.485 20 30 CEEDLO CCOc1ccc(O)c(/C=N/Cc2c[nH+]cn2C)c1 ZINC000290613886 623826645 /nfs/dbraw/zinc/82/66/45/623826645.db2.gz SUIOBWZIVBKFBW-VIZOYTHASA-N 1 2 259.309 2.144 20 30 CEEDLO C[N@H+](CC(=O)NCC(C)(C)C)Cc1cc(C#N)cs1 ZINC000933769744 623998092 /nfs/dbraw/zinc/99/80/92/623998092.db2.gz FJJMDFQAJLTTLL-UHFFFAOYSA-N 1 2 279.409 2.214 20 30 CEEDLO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1cc(C#N)cs1 ZINC000933769744 623998097 /nfs/dbraw/zinc/99/80/97/623998097.db2.gz FJJMDFQAJLTTLL-UHFFFAOYSA-N 1 2 279.409 2.214 20 30 CEEDLO CC[C@@H](CO)Nc1cc(NCc2ccc(C#N)cc2)[nH+]cn1 ZINC000891869488 624046207 /nfs/dbraw/zinc/04/62/07/624046207.db2.gz LQHLKWYRKXHYTB-AWEZNQCLSA-N 1 2 297.362 2.143 20 30 CEEDLO CC[C@@H](CO)Nc1cc(NCc2ccc(C#N)cc2)nc[nH+]1 ZINC000891869488 624046215 /nfs/dbraw/zinc/04/62/15/624046215.db2.gz LQHLKWYRKXHYTB-AWEZNQCLSA-N 1 2 297.362 2.143 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)[C@@H](CO)SC ZINC000820663711 634494381 /nfs/dbraw/zinc/49/43/81/634494381.db2.gz CSWQAKGTNWVRCN-GXTWGEPZSA-N 1 2 294.420 2.398 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)CCO ZINC000820669925 634497511 /nfs/dbraw/zinc/49/75/11/634497511.db2.gz CNSHPKLIAGBLJN-CYBMUJFWSA-N 1 2 262.353 2.304 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902229732 634535120 /nfs/dbraw/zinc/53/51/20/634535120.db2.gz XRJGBUINSYMGFI-CYBMUJFWSA-N 1 2 262.328 2.217 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902229732 634535127 /nfs/dbraw/zinc/53/51/27/634535127.db2.gz XRJGBUINSYMGFI-CYBMUJFWSA-N 1 2 262.328 2.217 20 30 CEEDLO N#CCOc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821032207 634609300 /nfs/dbraw/zinc/60/93/00/634609300.db2.gz RENBQTQXHFILOO-LREOWRDNSA-N 1 2 279.299 2.462 20 30 CEEDLO Cc1cc(C#N)nc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000892964071 627903753 /nfs/dbraw/zinc/90/37/53/627903753.db2.gz YFRVAEIZXAVZNP-CYBMUJFWSA-N 1 2 279.347 2.348 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CCSC1=S ZINC000025478426 628386702 /nfs/dbraw/zinc/38/67/02/628386702.db2.gz LIEXOACMADBXSA-UHFFFAOYSA-N 1 2 277.418 2.281 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CCSC1=S ZINC000025478426 628386707 /nfs/dbraw/zinc/38/67/07/628386707.db2.gz LIEXOACMADBXSA-UHFFFAOYSA-N 1 2 277.418 2.281 20 30 CEEDLO C=C[C@H]1CCCCN1c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893552839 628734565 /nfs/dbraw/zinc/73/45/65/628734565.db2.gz ZQPCKTLATCGYOH-STQMWFEESA-N 1 2 276.384 2.204 20 30 CEEDLO C=C[C@H]1CCCCN1c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893552839 628734568 /nfs/dbraw/zinc/73/45/68/628734568.db2.gz ZQPCKTLATCGYOH-STQMWFEESA-N 1 2 276.384 2.204 20 30 CEEDLO CCCCCC[C@@](O)(C[N@@H+]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000932155121 628977479 /nfs/dbraw/zinc/97/74/79/628977479.db2.gz WVLXJFNNEAAHBG-GOEBONIOSA-N 1 2 296.411 2.096 20 30 CEEDLO CCCCCC[C@@](O)(C[N@H+]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000932155121 628977482 /nfs/dbraw/zinc/97/74/82/628977482.db2.gz WVLXJFNNEAAHBG-GOEBONIOSA-N 1 2 296.411 2.096 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990564 629073092 /nfs/dbraw/zinc/07/30/92/629073092.db2.gz HVVDPENVRANKMQ-HIFRSBDPSA-N 1 2 282.347 2.290 20 30 CEEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124003 629149683 /nfs/dbraw/zinc/14/96/83/629149683.db2.gz FBSNFNPPQUJSIV-LALPHHSUSA-N 1 2 292.404 2.388 20 30 CEEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1csc(C#N)c1)C[C@@H](C)O2 ZINC000894124003 629149684 /nfs/dbraw/zinc/14/96/84/629149684.db2.gz FBSNFNPPQUJSIV-LALPHHSUSA-N 1 2 292.404 2.388 20 30 CEEDLO Cn1cc(C[NH2+]CC2(C#N)CC2)c(C2CCCC2)n1 ZINC000894203955 629207600 /nfs/dbraw/zinc/20/76/00/629207600.db2.gz JAMOGLQHZNKCDQ-UHFFFAOYSA-N 1 2 258.369 2.471 20 30 CEEDLO C=CC[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)OC ZINC000878445382 629227856 /nfs/dbraw/zinc/22/78/56/629227856.db2.gz GGHIOBAMKXDUJW-MNOVXSKESA-N 1 2 255.358 2.040 20 30 CEEDLO C#CCCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821621019 634765292 /nfs/dbraw/zinc/76/52/92/634765292.db2.gz DCTYAXVZWSGNNC-UHFFFAOYSA-N 1 2 254.289 2.112 20 30 CEEDLO COc1cccc(OC)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000796360598 629869635 /nfs/dbraw/zinc/86/96/35/629869635.db2.gz XKIVIIFBKHIVPT-UHFFFAOYSA-N 1 2 283.331 2.260 20 30 CEEDLO Cc1[nH]c([C@H]2CCCN2c2nc(C)cc(C#N)n2)[nH+]c1C ZINC000895191551 630022322 /nfs/dbraw/zinc/02/23/22/630022322.db2.gz BBZFLXWAJCZPIU-CYBMUJFWSA-N 1 2 282.351 2.338 20 30 CEEDLO Cc1[nH]c([C@@H]2CCCN2c2cncc(C#N)n2)[nH+]c1C ZINC000895197683 630026018 /nfs/dbraw/zinc/02/60/18/630026018.db2.gz UVOSCZRXAOYWLK-LBPRGKRZSA-N 1 2 268.324 2.030 20 30 CEEDLO Cn1cc(C[NH+]2CC(CC#N)C2)c(C2CCCC2)n1 ZINC000895345050 630126198 /nfs/dbraw/zinc/12/61/98/630126198.db2.gz XTXJJNVNVDQSCH-UHFFFAOYSA-N 1 2 258.369 2.423 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895450606 630197166 /nfs/dbraw/zinc/19/71/66/630197166.db2.gz LCQVQESLAORWQV-AWEZNQCLSA-N 1 2 257.293 2.269 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3[nH]c(=O)oc32)C1 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N#C[C@H](CCc1ccccc1)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981631 645034410 /nfs/dbraw/zinc/03/44/10/645034410.db2.gz HSPXXQJCGJPSPI-GJZGRUSLSA-N 1 2 294.358 2.217 20 30 CEEDLO C#CCCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999779 645044100 /nfs/dbraw/zinc/04/41/00/645044100.db2.gz NANXBDRINFGXGS-UHFFFAOYSA-N 1 2 257.337 2.342 20 30 CEEDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(C#N)ccc1O ZINC000759718072 645068701 /nfs/dbraw/zinc/06/87/01/645068701.db2.gz QIQKVDZPFHGAAA-GHMZBOCLSA-N 1 2 273.336 2.075 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCc1cnnn1CC ZINC000858649778 645229704 /nfs/dbraw/zinc/22/97/04/645229704.db2.gz GPHIBCHQYUQSKQ-UHFFFAOYSA-N 1 2 285.351 2.097 20 30 CEEDLO Cc1[nH+]c[nH]c1CN=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790308759 645306826 /nfs/dbraw/zinc/30/68/26/645306826.db2.gz MWUVXGVAGOCKLQ-UHFFFAOYSA-N 1 2 263.232 2.211 20 30 CEEDLO C#CCCc1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000762017748 645352003 /nfs/dbraw/zinc/35/20/03/645352003.db2.gz MJRJGGBKSOJTSR-UHFFFAOYSA-N 1 2 297.358 2.135 20 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259.353 2.096 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1 ZINC000769384097 646257230 /nfs/dbraw/zinc/25/72/30/646257230.db2.gz KYJXRRBHHWBSIZ-GFCCVEGCSA-N 1 2 270.336 2.333 20 30 CEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1 ZINC000769384097 646257234 /nfs/dbraw/zinc/25/72/34/646257234.db2.gz KYJXRRBHHWBSIZ-GFCCVEGCSA-N 1 2 270.336 2.333 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769902148 646332332 /nfs/dbraw/zinc/33/23/32/646332332.db2.gz XZBLHQBAERGYIJ-RKDXNWHRSA-N 1 2 257.683 2.374 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769902148 646332335 /nfs/dbraw/zinc/33/23/35/646332335.db2.gz XZBLHQBAERGYIJ-RKDXNWHRSA-N 1 2 257.683 2.374 20 30 CEEDLO Cc1cc(NCCNC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC000862860416 646586717 /nfs/dbraw/zinc/58/67/17/646586717.db2.gz ATTVUPBSCICNHZ-UHFFFAOYSA-N 1 2 288.395 2.096 20 30 CEEDLO CC[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000119187327 646601769 /nfs/dbraw/zinc/60/17/69/646601769.db2.gz KZPBVWYXLJBABQ-ZDUSSCGKSA-N 1 2 271.364 2.206 20 30 CEEDLO CC[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000119187327 646601775 /nfs/dbraw/zinc/60/17/75/646601775.db2.gz KZPBVWYXLJBABQ-ZDUSSCGKSA-N 1 2 271.364 2.206 20 30 CEEDLO C[C@H]1CN(C[N@@H+]2CCc3c(CC#N)cccc3C2)C(=O)[C@H]1C ZINC000863335896 646707048 /nfs/dbraw/zinc/70/70/48/646707048.db2.gz LWSZWWBFBFGQKJ-KBPBESRZSA-N 1 2 297.402 2.183 20 30 CEEDLO C[C@H]1CN(C[N@H+]2CCc3c(CC#N)cccc3C2)C(=O)[C@H]1C ZINC000863335896 646707054 /nfs/dbraw/zinc/70/70/54/646707054.db2.gz LWSZWWBFBFGQKJ-KBPBESRZSA-N 1 2 297.402 2.183 20 30 CEEDLO CCOCCON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000774418244 646844823 /nfs/dbraw/zinc/84/48/23/646844823.db2.gz SFBODXBDMRGULM-UHFFFAOYSA-N 1 2 259.309 2.259 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2cc[nH]c21 ZINC000775286324 646937381 /nfs/dbraw/zinc/93/73/81/646937381.db2.gz OMPUEJMPFFIQOM-AWEZNQCLSA-N 1 2 267.332 2.204 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2cc[nH]c21 ZINC000775286324 646937384 /nfs/dbraw/zinc/93/73/84/646937384.db2.gz OMPUEJMPFFIQOM-AWEZNQCLSA-N 1 2 267.332 2.204 20 30 CEEDLO C#C[C@@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000775386454 646948378 /nfs/dbraw/zinc/94/83/78/646948378.db2.gz YGFPKUVQJHSGDT-GFCCVEGCSA-N 1 2 294.358 2.149 20 30 CEEDLO C#C[C@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)[C@H]1CCCO1 ZINC000775571624 646967349 /nfs/dbraw/zinc/96/73/49/646967349.db2.gz IRCRYTOIDWCQGH-UKPHBRMFSA-N 1 2 296.374 2.099 20 30 CEEDLO N#CC1(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000775857344 646999791 /nfs/dbraw/zinc/99/97/91/646999791.db2.gz WNBFIRXCEKFMAF-HNNXBMFYSA-N 1 2 284.359 2.498 20 30 CEEDLO N#CC1(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000775857344 646999796 /nfs/dbraw/zinc/99/97/96/646999796.db2.gz WNBFIRXCEKFMAF-HNNXBMFYSA-N 1 2 284.359 2.498 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776385829 647056358 /nfs/dbraw/zinc/05/63/58/647056358.db2.gz HRZWXXBWQMBKAE-KBPBESRZSA-N 1 2 264.369 2.486 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776385829 647056360 /nfs/dbraw/zinc/05/63/60/647056360.db2.gz HRZWXXBWQMBKAE-KBPBESRZSA-N 1 2 264.369 2.486 20 30 CEEDLO N#C[C@]1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCOC1 ZINC000864904754 647130376 /nfs/dbraw/zinc/13/03/76/647130376.db2.gz NPRRGMCKEROZFP-MRXNPFEDSA-N 1 2 296.330 2.131 20 30 CEEDLO C=C(C)C[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000777960567 647192849 /nfs/dbraw/zinc/19/28/49/647192849.db2.gz JIWAJOLTNDDVIX-UHFFFAOYSA-N 1 2 289.133 2.019 20 30 CEEDLO C=C(C)C[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000777960567 647192852 /nfs/dbraw/zinc/19/28/52/647192852.db2.gz JIWAJOLTNDDVIX-UHFFFAOYSA-N 1 2 289.133 2.019 20 30 CEEDLO C=C(Cl)C[C@@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000865311674 647240040 /nfs/dbraw/zinc/24/00/40/647240040.db2.gz IUANNEXFUCJPHP-LBPRGKRZSA-N 1 2 293.754 2.261 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1ncnn1C(C)C ZINC000865465135 647306363 /nfs/dbraw/zinc/30/63/63/647306363.db2.gz WAEZNZJNFHUCCZ-UHFFFAOYSA-N 1 2 284.363 2.161 20 30 CEEDLO COc1cccnc1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865593738 647376768 /nfs/dbraw/zinc/37/67/68/647376768.db2.gz HRTJLWJYWGWKHI-UHFFFAOYSA-N 1 2 296.374 2.318 20 30 CEEDLO Fc1cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)ccn1 ZINC000781134079 647502060 /nfs/dbraw/zinc/50/20/60/647502060.db2.gz PYMUCPLMUGVBNY-UHFFFAOYSA-N 1 2 286.314 2.057 20 30 CEEDLO Nc1ncc(C=[NH+]Nc2ccc(Cl)c(F)c2)cn1 ZINC000781592191 647542203 /nfs/dbraw/zinc/54/22/03/647542203.db2.gz CJSTYYVQEUOTGV-UHFFFAOYSA-N 1 2 265.679 2.297 20 30 CEEDLO CON=Cc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1 ZINC000781831330 647564914 /nfs/dbraw/zinc/56/49/14/647564914.db2.gz YSNPSDWCLXIYTB-UHFFFAOYSA-N 1 2 287.319 2.111 20 30 CEEDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000781928827 647572656 /nfs/dbraw/zinc/57/26/56/647572656.db2.gz FWAXPAKANXNZNB-CYBMUJFWSA-N 1 2 299.378 2.128 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000781928827 647572660 /nfs/dbraw/zinc/57/26/60/647572660.db2.gz FWAXPAKANXNZNB-CYBMUJFWSA-N 1 2 299.378 2.128 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782622366 647645153 /nfs/dbraw/zinc/64/51/53/647645153.db2.gz UMVIPCAIWSZCIO-GXTWGEPZSA-N 1 2 262.740 2.026 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782622366 647645154 /nfs/dbraw/zinc/64/51/54/647645154.db2.gz UMVIPCAIWSZCIO-GXTWGEPZSA-N 1 2 262.740 2.026 20 30 CEEDLO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866266065 647704744 /nfs/dbraw/zinc/70/47/44/647704744.db2.gz WPRYPKTUQFZUCO-COPLHBTASA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@@H]([NH2+]CCOc1cccnc1)c1cccc(C#N)c1O ZINC000866267045 647705976 /nfs/dbraw/zinc/70/59/76/647705976.db2.gz ZEDRMIXIMXJBSF-GFCCVEGCSA-N 1 2 283.331 2.388 20 30 CEEDLO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc(C#N)c1O ZINC000866268382 647707172 /nfs/dbraw/zinc/70/71/72/647707172.db2.gz UPMGUISKPVYSFL-BIBXISHDSA-N 1 2 294.420 2.462 20 30 CEEDLO C[C@@H]([NH2+]CCCNc1ncccn1)c1cccc(C#N)c1O ZINC000866281186 647715619 /nfs/dbraw/zinc/71/56/19/647715619.db2.gz FQVSGIWAMIBNDN-GFCCVEGCSA-N 1 2 297.362 2.207 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc(C#N)c1O ZINC000866284027 647716480 /nfs/dbraw/zinc/71/64/80/647716480.db2.gz IIAXFIDVRBNABL-MQIPJXDCSA-N 1 2 285.391 2.397 20 30 CEEDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)[nH]1 ZINC000866313275 647731972 /nfs/dbraw/zinc/73/19/72/647731972.db2.gz YPZKGEDDWPQKGG-NXEZZACHSA-N 1 2 285.351 2.356 20 30 CEEDLO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866363719 647757082 /nfs/dbraw/zinc/75/70/82/647757082.db2.gz MXTRSMMXQFVBEK-RYUDHWBXSA-N 1 2 262.353 2.323 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866367395 647759737 /nfs/dbraw/zinc/75/97/37/647759737.db2.gz JRIICVPKAXQHMP-GDLCADMTSA-N 1 2 258.321 2.258 20 30 CEEDLO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866372474 647762523 /nfs/dbraw/zinc/76/25/23/647762523.db2.gz GZOLQKGACQKDFZ-HONMWMINSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(C#N)c1O ZINC000866386014 647767438 /nfs/dbraw/zinc/76/74/38/647767438.db2.gz VVDKTOHHADSABO-CMPLNLGQSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(C#N)c1O ZINC000866388700 647769811 /nfs/dbraw/zinc/76/98/11/647769811.db2.gz MEQUTSVJTIRVLK-SKDRFNHKSA-N 1 2 282.290 2.339 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787234974 648088976 /nfs/dbraw/zinc/08/89/76/648088976.db2.gz KHUDPLPEQVKOEB-LLVKDONJSA-N 1 2 298.308 2.495 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787234974 648088979 /nfs/dbraw/zinc/08/89/79/648088979.db2.gz KHUDPLPEQVKOEB-LLVKDONJSA-N 1 2 298.308 2.495 20 30 CEEDLO C=CCNc1nc(C(=O)OCc2cc[nH+]c(N)c2)cs1 ZINC000787585430 648120500 /nfs/dbraw/zinc/12/05/00/648120500.db2.gz NZEBXJNHQKEVEN-UHFFFAOYSA-N 1 2 290.348 2.075 20 30 CEEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)n(C)n1 ZINC000789158165 648263914 /nfs/dbraw/zinc/26/39/14/648263914.db2.gz CARUNGDYECFFNX-SREVYHEPSA-N 1 2 266.304 2.272 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000122290197 648264797 /nfs/dbraw/zinc/26/47/97/648264797.db2.gz OPPKIUAUJIZQNQ-INIZCTEOSA-N 1 2 287.359 2.226 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000122290197 648264804 /nfs/dbraw/zinc/26/48/04/648264804.db2.gz OPPKIUAUJIZQNQ-INIZCTEOSA-N 1 2 287.359 2.226 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)CCC(=O)C(C)(C)C)n1 ZINC000789329882 648288432 /nfs/dbraw/zinc/28/84/32/648288432.db2.gz SWGDQCFQZBPBPY-UHFFFAOYSA-N 1 2 275.396 2.344 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)CCC(=O)C(C)(C)C)n1 ZINC000789329882 648288434 /nfs/dbraw/zinc/28/84/34/648288434.db2.gz SWGDQCFQZBPBPY-UHFFFAOYSA-N 1 2 275.396 2.344 20 30 CEEDLO N#Cc1cccn(C[N@@H+]2CCC=C(c3ccccc3)C2)c1=O ZINC000789547051 648315081 /nfs/dbraw/zinc/31/50/81/648315081.db2.gz XWYXAQJBCUMSJK-UHFFFAOYSA-N 1 2 291.354 2.467 20 30 CEEDLO N#Cc1cccn(C[N@H+]2CCC=C(c3ccccc3)C2)c1=O ZINC000789547051 648315084 /nfs/dbraw/zinc/31/50/84/648315084.db2.gz XWYXAQJBCUMSJK-UHFFFAOYSA-N 1 2 291.354 2.467 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]N1CCC(C(C)(C)C)CC1 ZINC000790182124 648391438 /nfs/dbraw/zinc/39/14/38/648391438.db2.gz WWOBOZXDTBZALJ-UHFFFAOYSA-N 1 2 291.399 2.159 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792258369 648631329 /nfs/dbraw/zinc/63/13/29/648631329.db2.gz FAMJTSPIVHAFMY-WCQYABFASA-N 1 2 262.353 2.096 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792258369 648631332 /nfs/dbraw/zinc/63/13/32/648631332.db2.gz FAMJTSPIVHAFMY-WCQYABFASA-N 1 2 262.353 2.096 20 30 CEEDLO Fc1cncnc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000793211077 648723770 /nfs/dbraw/zinc/72/37/70/648723770.db2.gz HJUCOCPZCXNLIK-UHFFFAOYSA-N 1 2 286.314 2.079 20 30 CEEDLO C=CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793500796 648766376 /nfs/dbraw/zinc/76/63/76/648766376.db2.gz XPRPOQQTBSCUNH-UHFFFAOYSA-N 1 2 297.402 2.454 20 30 CEEDLO Cc1cc(=O)[nH]c(N=NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000872323941 649357951 /nfs/dbraw/zinc/35/79/51/649357951.db2.gz FSLVNHKUHLEJJI-UHFFFAOYSA-N 1 2 277.372 2.153 20 30 CEEDLO Cc1cc(NN=Cc2cnc(C(C)C)s2)nc(N)[nH+]1 ZINC000872420775 649386670 /nfs/dbraw/zinc/38/66/70/649386670.db2.gz MQWXGVCOFSRUQH-UHFFFAOYSA-N 1 2 276.369 2.393 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccn(CC)c1 ZINC000878498971 651114249 /nfs/dbraw/zinc/11/42/49/651114249.db2.gz PKYOIUVKLPAAFM-CYBMUJFWSA-N 1 2 250.342 2.058 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccn(CC)c1 ZINC000878498971 651114250 /nfs/dbraw/zinc/11/42/50/651114250.db2.gz PKYOIUVKLPAAFM-CYBMUJFWSA-N 1 2 250.342 2.058 20 30 CEEDLO C#CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(OC)c2)CC1 ZINC000878764171 651181603 /nfs/dbraw/zinc/18/16/03/651181603.db2.gz RBXXWTLQXVUVDU-MRXNPFEDSA-N 1 2 287.359 2.255 20 30 CEEDLO COc1ccc2c(C[NH2+][C@@H](C)CC#N)cc(=O)oc2c1 ZINC000878818022 651192071 /nfs/dbraw/zinc/19/20/71/651192071.db2.gz KGZPAQALMBWXML-JTQLQIEISA-N 1 2 272.304 2.193 20 30 CEEDLO C#CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CSC1 ZINC000878914299 651209295 /nfs/dbraw/zinc/20/92/95/651209295.db2.gz SBNIUBGJQBJFNB-UHFFFAOYSA-N 1 2 262.334 2.145 20 30 CEEDLO C#CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CSC1 ZINC000878914299 651209296 /nfs/dbraw/zinc/20/92/96/651209296.db2.gz SBNIUBGJQBJFNB-UHFFFAOYSA-N 1 2 262.334 2.145 20 30 CEEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCCC#N)ccc21 ZINC000879716211 651343295 /nfs/dbraw/zinc/34/32/95/651343295.db2.gz GBIZYFAJBMCJFN-UHFFFAOYSA-N 1 2 283.335 2.336 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000880478712 651447897 /nfs/dbraw/zinc/44/78/97/651447897.db2.gz FAZLLQAYFJYKAU-UHFFFAOYSA-N 1 2 280.349 2.007 20 30 CEEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881119808 651596280 /nfs/dbraw/zinc/59/62/80/651596280.db2.gz NGNJCSQLOCFRMB-UHFFFAOYSA-N 1 2 295.346 2.491 20 30 CEEDLO CC[C@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871370 652242238 /nfs/dbraw/zinc/24/22/38/652242238.db2.gz FWNAFTBMNPPXEQ-UKRRQHHQSA-N 1 2 282.347 2.290 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)c1ccccc1 ZINC000883048892 652346472 /nfs/dbraw/zinc/34/64/72/652346472.db2.gz XRHNEQBUVJIRHA-ZDUSSCGKSA-N 1 2 287.363 2.122 20 30 CEEDLO C#CC[C@@H]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000884594011 652934532 /nfs/dbraw/zinc/93/45/32/652934532.db2.gz YBTOMHYDSXSAEL-CQSZACIVSA-N 1 2 270.380 2.317 20 30 CEEDLO C#CC[C@@H]1CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000884594011 652934533 /nfs/dbraw/zinc/93/45/33/652934533.db2.gz YBTOMHYDSXSAEL-CQSZACIVSA-N 1 2 270.380 2.317 20 30 CEEDLO C#CC[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000884594247 652934587 /nfs/dbraw/zinc/93/45/87/652934587.db2.gz DAPFPHLHSOSQMZ-CYBMUJFWSA-N 1 2 256.353 2.148 20 30 CEEDLO C#CC[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000884594247 652934588 /nfs/dbraw/zinc/93/45/88/652934588.db2.gz DAPFPHLHSOSQMZ-CYBMUJFWSA-N 1 2 256.353 2.148 20 30 CEEDLO CSc1nc(C[N@H+](C)Cc2cnn(C)c2)ccc1C#N ZINC001141929645 805881471 /nfs/dbraw/zinc/88/14/71/805881471.db2.gz ZQYFMCCLMRPISX-UHFFFAOYSA-N 1 2 287.392 2.041 20 30 CEEDLO CSc1nc(C[N@@H+](C)Cc2cnn(C)c2)ccc1C#N ZINC001141929645 805881481 /nfs/dbraw/zinc/88/14/81/805881481.db2.gz ZQYFMCCLMRPISX-UHFFFAOYSA-N 1 2 287.392 2.041 20 30 CEEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cccc(Cl)c1C#N ZINC001227789922 806020730 /nfs/dbraw/zinc/02/07/30/806020730.db2.gz SAFCWYLWCORFOX-NSHDSACASA-N 1 2 280.755 2.311 20 30 CEEDLO C=C(C)C(=O)OCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001168073073 806053917 /nfs/dbraw/zinc/05/39/17/806053917.db2.gz BALAVLJQOZHEAT-UHFFFAOYSA-N 1 2 285.347 2.463 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C)[C@H]1C ZINC001088462932 806263873 /nfs/dbraw/zinc/26/38/73/806263873.db2.gz UURASEBDABGQPU-PWSUYJOCSA-N 1 2 297.786 2.237 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C)[C@H]1C ZINC001088462932 806263878 /nfs/dbraw/zinc/26/38/78/806263878.db2.gz UURASEBDABGQPU-PWSUYJOCSA-N 1 2 297.786 2.237 20 30 CEEDLO N#Cc1cccc2[nH]cc(C(=O)N[C@@H]3CCn4c[nH+]cc43)c21 ZINC001168298878 806634962 /nfs/dbraw/zinc/63/49/62/806634962.db2.gz AKHASBMZWNOCDR-GFCCVEGCSA-N 1 2 291.314 2.111 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001042717788 806640213 /nfs/dbraw/zinc/64/02/13/806640213.db2.gz YGCIMDLBNMDRNJ-ZIAGYGMSSA-N 1 2 290.432 2.489 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 ZINC001076056421 806802102 /nfs/dbraw/zinc/80/21/02/806802102.db2.gz TTXLTKVVCLSQSI-GXFFZTMASA-N 1 2 297.761 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 ZINC001076056421 806802108 /nfs/dbraw/zinc/80/21/08/806802108.db2.gz TTXLTKVVCLSQSI-GXFFZTMASA-N 1 2 297.761 2.053 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001105706103 806963510 /nfs/dbraw/zinc/96/35/10/806963510.db2.gz RNDXWJRHHDGJLM-SDNWHVSQSA-N 1 2 292.423 2.221 20 30 CEEDLO CCN(CCn1cccn1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001167060558 802363880 /nfs/dbraw/zinc/36/38/80/802363880.db2.gz ZXUGIORPOYKZNJ-UHFFFAOYSA-N 1 2 280.335 2.158 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC001140135055 802619686 /nfs/dbraw/zinc/61/96/86/802619686.db2.gz PIMJCYDLZXPLPV-ZDUSSCGKSA-N 1 2 293.342 2.097 20 30 CEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)n2)C1 ZINC001140135055 802619688 /nfs/dbraw/zinc/61/96/88/802619688.db2.gz PIMJCYDLZXPLPV-ZDUSSCGKSA-N 1 2 293.342 2.097 20 30 CEEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)cnn1C ZINC000588397010 802827773 /nfs/dbraw/zinc/82/77/73/802827773.db2.gz CWMBEMWWMVPZEV-SREVYHEPSA-N 1 2 266.304 2.272 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109189215 811839969 /nfs/dbraw/zinc/83/99/69/811839969.db2.gz IQOWSNZYIUBGTH-GFCCVEGCSA-N 1 2 290.411 2.328 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC001038250502 803264096 /nfs/dbraw/zinc/26/40/96/803264096.db2.gz AYZJPNGUOLDNNK-SNVBAGLBSA-N 1 2 296.292 2.201 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1F ZINC001038250502 803264100 /nfs/dbraw/zinc/26/41/00/803264100.db2.gz AYZJPNGUOLDNNK-SNVBAGLBSA-N 1 2 296.292 2.201 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C=C(C)C)C1 ZINC001267901899 803811749 /nfs/dbraw/zinc/81/17/49/803811749.db2.gz OLAWRUQFEPNACB-GFCCVEGCSA-N 1 2 256.777 2.286 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C=C(C)C)C1 ZINC001267901899 803811759 /nfs/dbraw/zinc/81/17/59/803811759.db2.gz OLAWRUQFEPNACB-GFCCVEGCSA-N 1 2 256.777 2.286 20 30 CEEDLO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001267955773 803849129 /nfs/dbraw/zinc/84/91/29/803849129.db2.gz HOHHPGHFFMGHQF-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001267955773 803849139 /nfs/dbraw/zinc/84/91/39/803849139.db2.gz HOHHPGHFFMGHQF-ZJUUUORDSA-N 1 2 282.281 2.044 20 30 CEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001027318671 804036690 /nfs/dbraw/zinc/03/66/90/804036690.db2.gz URVDUALQNCNXHW-GFCCVEGCSA-N 1 2 296.802 2.007 20 30 CEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001027318671 804036697 /nfs/dbraw/zinc/03/66/97/804036697.db2.gz URVDUALQNCNXHW-GFCCVEGCSA-N 1 2 296.802 2.007 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001268029492 804098240 /nfs/dbraw/zinc/09/82/40/804098240.db2.gz DUWZRTUDDARJHX-CABCVRRESA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001268029492 804098248 /nfs/dbraw/zinc/09/82/48/804098248.db2.gz DUWZRTUDDARJHX-CABCVRRESA-N 1 2 282.428 2.062 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001027717156 804215572 /nfs/dbraw/zinc/21/55/72/804215572.db2.gz QAJNFEQPHXGLHT-NSHDSACASA-N 1 2 268.744 2.226 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001027717156 804215575 /nfs/dbraw/zinc/21/55/75/804215575.db2.gz QAJNFEQPHXGLHT-NSHDSACASA-N 1 2 268.744 2.226 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001027837696 804289313 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812522900 /nfs/dbraw/zinc/52/29/00/812522900.db2.gz MDWGOMKQOWYXDP-IRXDYDNUSA-N 1 2 296.414 2.209 20 30 CEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001054037682 812522903 /nfs/dbraw/zinc/52/29/03/812522903.db2.gz MDWGOMKQOWYXDP-IRXDYDNUSA-N 1 2 296.414 2.209 20 30 CEEDLO C#Cc1nccnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693116 815546181 /nfs/dbraw/zinc/54/61/81/815546181.db2.gz DDMXQBZEDKWUFY-UHFFFAOYSA-N 1 2 275.315 2.446 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CSC)CC[C@@H]1C ZINC001131779318 812726680 /nfs/dbraw/zinc/72/66/80/812726680.db2.gz CNMKFDFVQNOVSV-WDEREUQCSA-N 1 2 276.833 2.071 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CSC)CC[C@@H]1C ZINC001131779318 812726685 /nfs/dbraw/zinc/72/66/85/812726685.db2.gz CNMKFDFVQNOVSV-WDEREUQCSA-N 1 2 276.833 2.071 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001056745329 812746227 /nfs/dbraw/zinc/74/62/27/812746227.db2.gz VFNVDJFRMLCLDJ-GFCCVEGCSA-N 1 2 274.368 2.010 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001132653484 812914088 /nfs/dbraw/zinc/91/40/88/812914088.db2.gz MQDXGXRVRVJPAH-AAEUAGOBSA-N 1 2 279.384 2.352 20 30 CEEDLO C=CCCC1(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)CC1 ZINC001133368563 813039955 /nfs/dbraw/zinc/03/99/55/813039955.db2.gz ANPUDUHABQDTKJ-CYBMUJFWSA-N 1 2 291.395 2.496 20 30 CEEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)CCC1 ZINC001133392156 813046963 /nfs/dbraw/zinc/04/69/63/813046963.db2.gz JNHLVIKQDOGRSV-ZDUSSCGKSA-N 1 2 291.395 2.496 20 30 CEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2ncc(CC)o2)CCC1 ZINC001133392320 813047273 /nfs/dbraw/zinc/04/72/73/813047273.db2.gz RFWGLQHHSCFBRF-UHFFFAOYSA-N 1 2 291.395 2.189 20 30 CEEDLO CCCOC1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001173093478 815576396 /nfs/dbraw/zinc/57/63/96/815576396.db2.gz IPYNTAUNCRFPRS-UHFFFAOYSA-N 1 2 266.385 2.387 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2=COCCC2)CC[C@@H]1C ZINC001071373474 813381905 /nfs/dbraw/zinc/38/19/05/813381905.db2.gz JNJHCJACCCEBBN-JSGCOSHPSA-N 1 2 298.814 2.402 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)CC[C@@H]1C ZINC001071373474 813381914 /nfs/dbraw/zinc/38/19/14/813381914.db2.gz JNJHCJACCCEBBN-JSGCOSHPSA-N 1 2 298.814 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]cnc2C)CC[C@@H]1C ZINC001072120459 813547041 /nfs/dbraw/zinc/54/70/41/813547041.db2.gz UQRXOYCQROADSE-CMPLNLGQSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]cnc2C)CC[C@@H]1C ZINC001072120459 813547048 /nfs/dbraw/zinc/54/70/48/813547048.db2.gz UQRXOYCQROADSE-CMPLNLGQSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323242 813823661 /nfs/dbraw/zinc/82/36/61/813823661.db2.gz BLMKDJAYSORPLG-CABCVRRESA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323242 813823669 /nfs/dbraw/zinc/82/36/69/813823669.db2.gz BLMKDJAYSORPLG-CABCVRRESA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074310173 813824544 /nfs/dbraw/zinc/82/45/44/813824544.db2.gz QZQOQUWSGGXIDR-LSDHHAIUSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074310173 813824556 /nfs/dbraw/zinc/82/45/56/813824556.db2.gz QZQOQUWSGGXIDR-LSDHHAIUSA-N 1 2 292.423 2.054 20 30 CEEDLO COc1ncc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1C ZINC001137001315 813826766 /nfs/dbraw/zinc/82/67/66/813826766.db2.gz HVWCTGXYYZWVMV-ZDUSSCGKSA-N 1 2 290.388 2.173 20 30 CEEDLO COc1ncc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1C ZINC001137001315 813826772 /nfs/dbraw/zinc/82/67/72/813826772.db2.gz HVWCTGXYYZWVMV-ZDUSSCGKSA-N 1 2 290.388 2.173 20 30 CEEDLO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143717331 813864827 /nfs/dbraw/zinc/86/48/27/813864827.db2.gz CKGHOICGOGJWRP-LLVKDONJSA-N 1 2 250.729 2.432 20 30 CEEDLO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143717331 813864835 /nfs/dbraw/zinc/86/48/35/813864835.db2.gz CKGHOICGOGJWRP-LLVKDONJSA-N 1 2 250.729 2.432 20 30 CEEDLO C#Cc1ccc(C[NH+]2CC(N3CCC(F)(F)C3)C2)cc1 ZINC001144576583 814119797 /nfs/dbraw/zinc/11/97/97/814119797.db2.gz NSMLNRQERQRBHD-UHFFFAOYSA-N 1 2 276.330 2.193 20 30 CEEDLO C[C@@H](Cc1cccc(C#N)c1)N1CC[NH2+]CC(F)(F)C1 ZINC001171209956 814161129 /nfs/dbraw/zinc/16/11/29/814161129.db2.gz NQIKULHZRVKJAG-LBPRGKRZSA-N 1 2 279.334 2.030 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091387338 814227502 /nfs/dbraw/zinc/22/75/02/814227502.db2.gz POMDKIDMXYXLDV-BETUJISGSA-N 1 2 288.395 2.304 20 30 CEEDLO Nc1ccc(/C=C2\COc3ccccc3C2=O)c[nH+]1 ZINC000653888076 814304702 /nfs/dbraw/zinc/30/47/02/814304702.db2.gz VPSCHBPCLBJLJO-YRNVUSSQSA-N 1 2 252.273 2.323 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101928912 814341125 /nfs/dbraw/zinc/34/11/25/814341125.db2.gz GPYZLGNQWQXIGM-HNNXBMFYSA-N 1 2 276.384 2.258 20 30 CEEDLO C=CCCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101932772 814341811 /nfs/dbraw/zinc/34/18/11/814341811.db2.gz MKAABVZAMMYRIL-UHFFFAOYSA-N 1 2 262.357 2.012 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104177208 814575272 /nfs/dbraw/zinc/57/52/72/814575272.db2.gz OXCPUMSOQSBIJQ-LLVKDONJSA-N 1 2 276.384 2.161 20 30 CEEDLO C=CC[NH2+]CC[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001104218011 814581951 /nfs/dbraw/zinc/58/19/51/814581951.db2.gz YKTDKTNFZKLUKQ-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001104218011 814581958 /nfs/dbraw/zinc/58/19/58/814581958.db2.gz YKTDKTNFZKLUKQ-GMTAPVOTSA-N 1 2 296.308 2.147 20 30 CEEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001148721803 814605969 /nfs/dbraw/zinc/60/59/69/814605969.db2.gz METVXROGJFMPMC-UHFFFAOYSA-N 1 2 298.456 2.495 20 30 CEEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001148727934 814606958 /nfs/dbraw/zinc/60/69/58/814606958.db2.gz PNRGNKJWSCEILC-UHFFFAOYSA-N 1 2 296.415 2.334 20 30 CEEDLO C=CCCCC(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095152104 815715976 /nfs/dbraw/zinc/71/59/76/815715976.db2.gz RUICYIPCTOCLDZ-AWEZNQCLSA-N 1 2 288.395 2.178 20 30 CEEDLO C[C@@H](O)[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173588720 815754037 /nfs/dbraw/zinc/75/40/37/815754037.db2.gz PXUXWHWYWODEMG-ZMDMRTEPSA-N 1 2 296.411 2.140 20 30 CEEDLO CCOC(=O)[C@H]1CC12CCC([N@H+](C)[C@@H](C)C#N)CC2 ZINC001173628220 815769868 /nfs/dbraw/zinc/76/98/68/815769868.db2.gz RXBHYKQZOSIVMC-OYNVLQORSA-N 1 2 264.369 2.342 20 30 CEEDLO CCOC(=O)[C@H]1CC12CCC([N@@H+](C)[C@@H](C)C#N)CC2 ZINC001173628220 815769875 /nfs/dbraw/zinc/76/98/75/815769875.db2.gz RXBHYKQZOSIVMC-OYNVLQORSA-N 1 2 264.369 2.342 20 30 CEEDLO OC1C[NH+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138335131 815769896 /nfs/dbraw/zinc/76/98/96/815769896.db2.gz GYXMSKBXIRJUJD-UHFFFAOYSA-N 1 2 263.340 2.263 20 30 CEEDLO CCOC(=O)[C@@H]1CC12CCC([N@H+](C)[C@@H](C)C#N)CC2 ZINC001173628224 815770003 /nfs/dbraw/zinc/77/00/03/815770003.db2.gz RXBHYKQZOSIVMC-SDFYHXNISA-N 1 2 264.369 2.342 20 30 CEEDLO CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)[C@@H](C)C#N)CC2 ZINC001173628224 815770010 /nfs/dbraw/zinc/77/00/10/815770010.db2.gz RXBHYKQZOSIVMC-SDFYHXNISA-N 1 2 264.369 2.342 20 30 CEEDLO C#CCOc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001138556511 815827127 /nfs/dbraw/zinc/82/71/27/815827127.db2.gz ZAHINFRDCZLXAV-ZDUSSCGKSA-N 1 2 257.333 2.252 20 30 CEEDLO C#CCOc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001138556511 815827135 /nfs/dbraw/zinc/82/71/35/815827135.db2.gz ZAHINFRDCZLXAV-ZDUSSCGKSA-N 1 2 257.333 2.252 20 30 CEEDLO C#CCOc1ccc(C[N@@H+](CC)[C@@H](C)C(=O)OC)cc1 ZINC001138560736 815829196 /nfs/dbraw/zinc/82/91/96/815829196.db2.gz KWQHHMNBNPDEIN-ZDUSSCGKSA-N 1 2 275.348 2.082 20 30 CEEDLO C#CCOc1ccc(C[N@H+](CC)[C@@H](C)C(=O)OC)cc1 ZINC001138560736 815829201 /nfs/dbraw/zinc/82/92/01/815829201.db2.gz KWQHHMNBNPDEIN-ZDUSSCGKSA-N 1 2 275.348 2.082 20 30 CEEDLO COc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001173827492 815834992 /nfs/dbraw/zinc/83/49/92/815834992.db2.gz QRFJSGGFRNOKSE-UHFFFAOYSA-N 1 2 257.293 2.335 20 30 CEEDLO CSc1ncc(C[N@@H+]2CCC[C@H](C#N)CC2)cn1 ZINC001138705911 815874214 /nfs/dbraw/zinc/87/42/14/815874214.db2.gz HCCFPZQGPSYTSP-NSHDSACASA-N 1 2 262.382 2.324 20 30 CEEDLO CSc1ncc(C[N@H+]2CCC[C@H](C#N)CC2)cn1 ZINC001138705911 815874222 /nfs/dbraw/zinc/87/42/22/815874222.db2.gz HCCFPZQGPSYTSP-NSHDSACASA-N 1 2 262.382 2.324 20 30 CEEDLO C=CCN1CC[NH+](Cc2cnc(N(CC)CC)s2)CC1 ZINC001138799545 815903832 /nfs/dbraw/zinc/90/38/32/815903832.db2.gz BUPCAOIXUPZNPP-UHFFFAOYSA-N 1 2 294.468 2.293 20 30 CEEDLO C=CC[NH+]1CCN(Cc2cnc(N(CC)CC)s2)CC1 ZINC001138799545 815903825 /nfs/dbraw/zinc/90/38/25/815903825.db2.gz BUPCAOIXUPZNPP-UHFFFAOYSA-N 1 2 294.468 2.293 20 30 CEEDLO C=CCOc1ccccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001139026921 815947229 /nfs/dbraw/zinc/94/72/29/815947229.db2.gz FNRZNHVDSNXOIR-UHFFFAOYSA-N 1 2 276.355 2.089 20 30 CEEDLO C#Cc1cc(Nc2cnn(CCC(C)C)c2)cc[nH+]1 ZINC001174414842 816006036 /nfs/dbraw/zinc/00/60/36/816006036.db2.gz IHMRCNHOONZCSS-UHFFFAOYSA-N 1 2 254.337 2.471 20 30 CEEDLO C#CC[NH+]1CCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139519891 816037392 /nfs/dbraw/zinc/03/73/92/816037392.db2.gz ZCHIWMMZBHKHOT-UHFFFAOYSA-N 1 2 291.398 2.499 20 30 CEEDLO Cc1cnc(C#N)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174973497 816110549 /nfs/dbraw/zinc/11/05/49/816110549.db2.gz OQSCWHYYIYPFJB-UHFFFAOYSA-N 1 2 295.346 2.237 20 30 CEEDLO CN(C)c1ccc(Nc2ccc(O)c(C#N)c2)c[nH+]1 ZINC001175345632 816168818 /nfs/dbraw/zinc/16/88/18/816168818.db2.gz ZNVCQXNHBLURAN-UHFFFAOYSA-N 1 2 254.293 2.468 20 30 CEEDLO C#CC[N@@H+](C)Cc1cnc(-c2cccc(OC)c2)nc1 ZINC001140198245 816209153 /nfs/dbraw/zinc/20/91/53/816209153.db2.gz WOPXQULBVQADGV-UHFFFAOYSA-N 1 2 267.332 2.217 20 30 CEEDLO C#CC[N@H+](C)Cc1cnc(-c2cccc(OC)c2)nc1 ZINC001140198245 816209155 /nfs/dbraw/zinc/20/91/55/816209155.db2.gz WOPXQULBVQADGV-UHFFFAOYSA-N 1 2 267.332 2.217 20 30 CEEDLO CSc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)c(N)n1 ZINC001140249422 816216923 /nfs/dbraw/zinc/21/69/23/816216923.db2.gz VHNIKXDRZQKNQC-UHFFFAOYSA-N 1 2 299.403 2.284 20 30 CEEDLO CSc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(N)n1 ZINC001140249422 816216930 /nfs/dbraw/zinc/21/69/30/816216930.db2.gz VHNIKXDRZQKNQC-UHFFFAOYSA-N 1 2 299.403 2.284 20 30 CEEDLO COc1cc[nH+]cc1Nc1c(C#N)cnn1C(C)C ZINC001176117884 816351090 /nfs/dbraw/zinc/35/10/90/816351090.db2.gz BICOTJIMWGCFAU-UHFFFAOYSA-N 1 2 257.297 2.483 20 30 CEEDLO N#C[C@H]1CC[N@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980206 816429754 /nfs/dbraw/zinc/42/97/54/816429754.db2.gz RFIIBQNATQYZEC-CQSZACIVSA-N 1 2 264.332 2.489 20 30 CEEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980206 816429759 /nfs/dbraw/zinc/42/97/59/816429759.db2.gz RFIIBQNATQYZEC-CQSZACIVSA-N 1 2 264.332 2.489 20 30 CEEDLO C#Cc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001141045200 816457285 /nfs/dbraw/zinc/45/72/85/816457285.db2.gz JHEHWDKWDFXUOC-UHFFFAOYSA-N 1 2 275.311 2.474 20 30 CEEDLO C#Cc1nccnc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749475 816465517 /nfs/dbraw/zinc/46/55/17/816465517.db2.gz FOQDJHYVUQYKTR-UHFFFAOYSA-N 1 2 265.320 2.197 20 30 CEEDLO C#CC1(O)C[NH+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001176792718 816471672 /nfs/dbraw/zinc/47/16/72/816471672.db2.gz IHGDODWCCAHESB-UHFFFAOYSA-N 1 2 283.293 2.318 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCC)C[C@H]21 ZINC001176912861 816497990 /nfs/dbraw/zinc/49/79/90/816497990.db2.gz NOIMIPVKMRYVQL-CVEARBPZSA-N 1 2 294.439 2.445 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCC)C[C@H]21 ZINC001176912861 816497996 /nfs/dbraw/zinc/49/79/96/816497996.db2.gz NOIMIPVKMRYVQL-CVEARBPZSA-N 1 2 294.439 2.445 20 30 CEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917308 816498794 /nfs/dbraw/zinc/49/87/94/816498794.db2.gz GWQZSPHISBBTNK-CABCVRRESA-N 1 2 280.412 2.054 20 30 CEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917308 816498799 /nfs/dbraw/zinc/49/87/99/816498799.db2.gz GWQZSPHISBBTNK-CABCVRRESA-N 1 2 280.412 2.054 20 30 CEEDLO N#Cc1cc[nH]c1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958551 816500936 /nfs/dbraw/zinc/50/09/36/816500936.db2.gz 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C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](C#N)CCC#N ZINC000072589737 343807018 /nfs/dbraw/zinc/80/70/18/343807018.db2.gz VYOHHXGSLVAOBB-AWEZNQCLSA-N 1 2 285.347 2.333 20 30 CEEDLO C[C@H](C#N)N(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CC1 ZINC000602177846 346989257 /nfs/dbraw/zinc/98/92/57/346989257.db2.gz DGOSYIALQKVYEG-LLVKDONJSA-N 1 2 296.330 2.095 20 30 CEEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1C ZINC000081514030 344055625 /nfs/dbraw/zinc/05/56/25/344055625.db2.gz RWMKGXOGRWGMBE-OAHLLOKOSA-N 1 2 276.380 2.279 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1C ZINC000081514030 344055626 /nfs/dbraw/zinc/05/56/26/344055626.db2.gz RWMKGXOGRWGMBE-OAHLLOKOSA-N 1 2 276.380 2.279 20 30 CEEDLO CC[N@@H+](CCC#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081514116 344055629 /nfs/dbraw/zinc/05/56/29/344055629.db2.gz QJQCRFUYYLWSPD-UHFFFAOYSA-N 1 2 263.297 2.209 20 30 CEEDLO CC[N@H+](CCC#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081514116 344055630 /nfs/dbraw/zinc/05/56/30/344055630.db2.gz QJQCRFUYYLWSPD-UHFFFAOYSA-N 1 2 263.297 2.209 20 30 CEEDLO N#CCC[N@@H+](CC[S@](=O)c1ccccc1)CC1CC1 ZINC000081514677 344055660 /nfs/dbraw/zinc/05/56/60/344055660.db2.gz ZBULQRYAVQLJJE-LJQANCHMSA-N 1 2 276.405 2.420 20 30 CEEDLO N#CCC[N@H+](CC[S@](=O)c1ccccc1)CC1CC1 ZINC000081514677 344055661 /nfs/dbraw/zinc/05/56/61/344055661.db2.gz ZBULQRYAVQLJJE-LJQANCHMSA-N 1 2 276.405 2.420 20 30 CEEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000085433465 344095127 /nfs/dbraw/zinc/09/51/27/344095127.db2.gz ZBGRNHWYJYHBBS-LLVKDONJSA-N 1 2 256.309 2.002 20 30 CEEDLO CCOC(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)[nH]1 ZINC000602465183 347044021 /nfs/dbraw/zinc/04/40/21/347044021.db2.gz KIYHYDCDIVQKDU-UHFFFAOYSA-N 1 2 275.352 2.317 20 30 CEEDLO CCOC(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)[nH]1 ZINC000602465183 347044022 /nfs/dbraw/zinc/04/40/22/347044022.db2.gz KIYHYDCDIVQKDU-UHFFFAOYSA-N 1 2 275.352 2.317 20 30 CEEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)[nH]3)ccc2n1C ZINC000158843856 344452549 /nfs/dbraw/zinc/45/25/49/344452549.db2.gz 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344852084 /nfs/dbraw/zinc/85/20/84/344852084.db2.gz VCYNXWHRUVXACP-LBPRGKRZSA-N 1 2 275.352 2.224 20 30 CEEDLO COc1cc(C[NH2+]CC2(C#N)CCCC2)sn1 ZINC000405106809 344883321 /nfs/dbraw/zinc/88/33/21/344883321.db2.gz QAAFXOJCXJUIPV-UHFFFAOYSA-N 1 2 251.355 2.325 20 30 CEEDLO Cc1ccc(NC(=O)c2cccc(C#N)n2)c(C)[nH+]1 ZINC000589454702 345081725 /nfs/dbraw/zinc/08/17/25/345081725.db2.gz LBXXCRPTMSHWGD-UHFFFAOYSA-N 1 2 252.277 2.217 20 30 CEEDLO Cc1cn2c([nH+]1)CN(c1nc(C)c(C#N)cc1Cl)CC2 ZINC000589690302 345093619 /nfs/dbraw/zinc/09/36/19/345093619.db2.gz HZFILVADQGUREG-UHFFFAOYSA-N 1 2 287.754 2.440 20 30 CEEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)n(C)c1C ZINC000589735456 345096507 /nfs/dbraw/zinc/09/65/07/345096507.db2.gz AGEYFHVFCFNXMZ-MRXNPFEDSA-N 1 2 289.379 2.246 20 30 CEEDLO COC(=O)c1cc(C[N@H+]2CCC[C@](C)(C#N)C2)n(C)c1C ZINC000589735456 345096509 /nfs/dbraw/zinc/09/65/09/345096509.db2.gz AGEYFHVFCFNXMZ-MRXNPFEDSA-N 1 2 289.379 2.246 20 30 CEEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1C)C(=O)OC 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ZINC000602596356 347093431 /nfs/dbraw/zinc/09/34/31/347093431.db2.gz IZRHFESRQUVRFY-LBPRGKRZSA-N 1 2 267.279 2.157 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)n1 ZINC000602596356 347093435 /nfs/dbraw/zinc/09/34/35/347093435.db2.gz IZRHFESRQUVRFY-LBPRGKRZSA-N 1 2 267.279 2.157 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1C#N ZINC000599420381 346515227 /nfs/dbraw/zinc/51/52/27/346515227.db2.gz FYNQHTKNXQHLSF-ZDUSSCGKSA-N 1 2 297.362 2.070 20 30 CEEDLO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1C#N ZINC000599420381 346515230 /nfs/dbraw/zinc/51/52/30/346515230.db2.gz FYNQHTKNXQHLSF-ZDUSSCGKSA-N 1 2 297.362 2.070 20 30 CEEDLO C=C[C@@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC000623263512 349966733 /nfs/dbraw/zinc/96/67/33/349966733.db2.gz PAXICFVXDBDQMC-DZGCQCFKSA-N 1 2 281.359 2.284 20 30 CEEDLO CC(C)[N@H+](CC(F)F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599320083 346498367 /nfs/dbraw/zinc/49/83/67/346498367.db2.gz QPAHSLIDIBJMFE-GFCCVEGCSA-N 1 2 290.354 2.033 20 30 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/nfs/dbraw/zinc/11/12/60/347111260.db2.gz HICPGZFNBMIGRB-HOCLYGCPSA-N 1 2 273.355 2.450 20 30 CEEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc(C#N)n2)[nH]1 ZINC000602628975 347111675 /nfs/dbraw/zinc/11/16/75/347111675.db2.gz CFQZPFIIXNTEEH-QWRGUYRKSA-N 1 2 284.367 2.436 20 30 CEEDLO CC1(CC(F)F)C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602701384 347157396 /nfs/dbraw/zinc/15/73/96/347157396.db2.gz QFVKRIAKBFACGT-UHFFFAOYSA-N 1 2 251.280 2.430 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)C(=O)OC ZINC000602738572 347180249 /nfs/dbraw/zinc/18/02/49/347180249.db2.gz MQBQQOJQXDMCMR-WOPDTQHZSA-N 1 2 257.399 2.368 20 30 CEEDLO CC(C)OCc1nc([C@@H](C)[NH2+]CC2(CC#N)CC2)no1 ZINC000602838129 347219183 /nfs/dbraw/zinc/21/91/83/347219183.db2.gz RBILJYXMXLTZJL-LLVKDONJSA-N 1 2 278.356 2.339 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000602860350 347228276 /nfs/dbraw/zinc/22/82/76/347228276.db2.gz AZZJGPIWMANWPF-VIFPVBQESA-N 1 2 283.278 2.118 20 30 CEEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602863856 347230351 /nfs/dbraw/zinc/23/03/51/347230351.db2.gz QHQRHPYDDATREO-NWDGAFQWSA-N 1 2 277.343 2.237 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000602867954 347231507 /nfs/dbraw/zinc/23/15/07/347231507.db2.gz FXNDHDGCZAACBG-VIFPVBQESA-N 1 2 290.348 2.233 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000602871735 347232876 /nfs/dbraw/zinc/23/28/76/347232876.db2.gz VNNLGYCYCJHCBD-JMSVASOKSA-N 1 2 289.354 2.379 20 30 CEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000602885297 347238096 /nfs/dbraw/zinc/23/80/96/347238096.db2.gz SSFSHUKEZCUKAW-LLVKDONJSA-N 1 2 260.341 2.463 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000602885297 347238098 /nfs/dbraw/zinc/23/80/98/347238098.db2.gz SSFSHUKEZCUKAW-LLVKDONJSA-N 1 2 260.341 2.463 20 30 CEEDLO COC(=O)c1cccc(C[N@H+](C)Cc2c[nH]nc2C)c1C#N ZINC000602942227 347253272 /nfs/dbraw/zinc/25/32/72/347253272.db2.gz 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/nfs/dbraw/zinc/28/66/85/216286685.db2.gz UHKHWQDSEKVBBV-UHFFFAOYSA-N 1 2 290.326 2.444 20 30 CEEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)ccn1 ZINC000339970350 366733673 /nfs/dbraw/zinc/73/36/73/366733673.db2.gz RIDSMZBDJKGFIJ-UHFFFAOYSA-N 1 2 263.304 2.256 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000027737476 361656997 /nfs/dbraw/zinc/65/69/97/361656997.db2.gz CGEISDKXCCRLTO-LLVKDONJSA-N 1 2 296.798 2.471 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000027737476 361657002 /nfs/dbraw/zinc/65/70/02/361657002.db2.gz CGEISDKXCCRLTO-LLVKDONJSA-N 1 2 296.798 2.471 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc(C#N)cs1 ZINC000084181233 363799910 /nfs/dbraw/zinc/79/99/10/363799910.db2.gz IVLYWAJDTHJNGK-UHFFFAOYSA-N 1 2 286.360 2.011 20 30 CEEDLO CC(=O)c1ccc(C#N)c(NCCn2cc[nH+]c2)c1 ZINC000302138827 201359589 /nfs/dbraw/zinc/35/95/89/201359589.db2.gz NWPXRMYERFPXLQ-UHFFFAOYSA-N 1 2 254.293 2.069 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000087833165 363872092 /nfs/dbraw/zinc/87/20/92/363872092.db2.gz SRPNBTDUWAHQRA-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000087833165 363872096 /nfs/dbraw/zinc/87/20/96/363872096.db2.gz SRPNBTDUWAHQRA-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO COC(=O)C[N@H+](Cc1cc(C#N)cs1)C(C)C ZINC000093287401 364158174 /nfs/dbraw/zinc/15/81/74/364158174.db2.gz UTEVOGBANGSDDO-UHFFFAOYSA-N 1 2 252.339 2.003 20 30 CEEDLO COC(=O)C[N@@H+](Cc1cc(C#N)cs1)C(C)C ZINC000093287401 364158178 /nfs/dbraw/zinc/15/81/78/364158178.db2.gz UTEVOGBANGSDDO-UHFFFAOYSA-N 1 2 252.339 2.003 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000157671328 366847970 /nfs/dbraw/zinc/84/79/70/366847970.db2.gz ZCMJBFGPKRPTAM-KBPBESRZSA-N 1 2 265.401 2.281 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000157671328 366847974 /nfs/dbraw/zinc/84/79/74/366847974.db2.gz ZCMJBFGPKRPTAM-KBPBESRZSA-N 1 2 265.401 2.281 20 30 CEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335409781 364701991 /nfs/dbraw/zinc/70/19/91/364701991.db2.gz VXFOXKCYBDWABE-HNNXBMFYSA-N 1 2 274.389 2.266 20 30 CEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335409781 364701996 /nfs/dbraw/zinc/70/19/96/364701996.db2.gz VXFOXKCYBDWABE-HNNXBMFYSA-N 1 2 274.389 2.266 20 30 CEEDLO Cc1cc(NC(=O)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000111357133 364729734 /nfs/dbraw/zinc/72/97/34/364729734.db2.gz WZVRSWQXYQZBCK-UHFFFAOYSA-N 1 2 251.289 2.443 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000115032290 364982497 /nfs/dbraw/zinc/98/24/97/364982497.db2.gz JTWFFEKNSOVQME-UHFFFAOYSA-N 1 2 289.298 2.391 20 30 CEEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000115352133 365001329 /nfs/dbraw/zinc/00/13/29/365001329.db2.gz NXOXBXHGCQFGSF-ZDUSSCGKSA-N 1 2 281.319 2.044 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000116938944 365082316 /nfs/dbraw/zinc/08/23/16/365082316.db2.gz YBRSKXDPMWTCBV-ZDUSSCGKSA-N 1 2 288.395 2.446 20 30 CEEDLO N#CCC[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000584464800 367160646 /nfs/dbraw/zinc/16/06/46/367160646.db2.gz JDWJGZDAQFOEQW-UHFFFAOYSA-N 1 2 257.337 2.428 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)C1CCCCC1 ZINC000602865194 367216717 /nfs/dbraw/zinc/21/67/17/367216717.db2.gz UJSTUZQLEWCRGP-VXGBXAGGSA-N 1 2 251.374 2.058 20 30 CEEDLO CC[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(OC)cc1 ZINC000602865411 367217743 /nfs/dbraw/zinc/21/77/43/367217743.db2.gz XWGUMOXAOHMFSC-SMDDNHRTSA-N 1 2 275.352 2.304 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342533374 367418335 /nfs/dbraw/zinc/41/83/35/367418335.db2.gz WZQVQUGPFXEUGW-GFCCVEGCSA-N 1 2 272.352 2.407 20 30 CEEDLO N#Cc1ncn(CCNc2cc[nH+]c3c(Cl)cccc23)n1 ZINC000343508938 367852690 /nfs/dbraw/zinc/85/26/90/367852690.db2.gz RUYOHQUHWPMXOH-UHFFFAOYSA-N 1 2 298.737 2.463 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(F)c1 ZINC000174754724 368063541 /nfs/dbraw/zinc/06/35/41/368063541.db2.gz KFCOXCJDRTZIFH-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(F)c1 ZINC000174754724 368063546 /nfs/dbraw/zinc/06/35/46/368063546.db2.gz KFCOXCJDRTZIFH-GFCCVEGCSA-N 1 2 288.244 2.196 20 30 CEEDLO N#CCCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000343792662 368006590 /nfs/dbraw/zinc/00/65/90/368006590.db2.gz GANDJAWDFIMCTF-UHFFFAOYSA-N 1 2 297.362 2.034 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000174359985 368015358 /nfs/dbraw/zinc/01/53/58/368015358.db2.gz IAFCLIMUOWZONE-UHFFFAOYSA-N 1 2 255.252 2.452 20 30 CEEDLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000572675105 299388759 /nfs/dbraw/zinc/38/87/59/299388759.db2.gz FPNLCPMHKLVMRY-SNVBAGLBSA-N 1 2 275.377 2.456 20 30 CEEDLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000572675105 299388761 /nfs/dbraw/zinc/38/87/61/299388761.db2.gz FPNLCPMHKLVMRY-SNVBAGLBSA-N 1 2 275.377 2.456 20 30 CEEDLO Cc1cccn2cc(CNC(=O)c3cccc(C#N)c3)[nH+]c12 ZINC000346461554 368683919 /nfs/dbraw/zinc/68/39/19/368683919.db2.gz NAACYKFDDZELQE-UHFFFAOYSA-N 1 2 290.326 2.444 20 30 CEEDLO C#CCC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000185166628 368758716 /nfs/dbraw/zinc/75/87/16/368758716.db2.gz PEPYZOMMILDEEK-UHFFFAOYSA-N 1 2 268.320 2.255 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000185573442 368825594 /nfs/dbraw/zinc/82/55/94/368825594.db2.gz CXIJGHFXSWKCPD-HNNXBMFYSA-N 1 2 299.418 2.336 20 30 CEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)n1 ZINC000348107447 368900552 /nfs/dbraw/zinc/90/05/52/368900552.db2.gz IFGQSWVNIRESTH-QMMMGPOBSA-N 1 2 260.272 2.240 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000186403356 368969470 /nfs/dbraw/zinc/96/94/70/368969470.db2.gz RHLLNKNNHORJGN-HNNXBMFYSA-N 1 2 276.311 2.225 20 30 CEEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000186403356 368969473 /nfs/dbraw/zinc/96/94/73/368969473.db2.gz RHLLNKNNHORJGN-HNNXBMFYSA-N 1 2 276.311 2.225 20 30 CEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000348314239 368997176 /nfs/dbraw/zinc/99/71/76/368997176.db2.gz BVUHHULTHDDMAF-CQSZACIVSA-N 1 2 299.374 2.137 20 30 CEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000348314239 368997183 /nfs/dbraw/zinc/99/71/83/368997183.db2.gz BVUHHULTHDDMAF-CQSZACIVSA-N 1 2 299.374 2.137 20 30 CEEDLO C=CCCC1(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000348299295 368990198 /nfs/dbraw/zinc/99/01/98/368990198.db2.gz FSIOQDUKMQIJGL-UHFFFAOYSA-N 1 2 260.337 2.453 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000187048400 369092201 /nfs/dbraw/zinc/09/22/01/369092201.db2.gz IANSTTILROMKEY-KRWDZBQOSA-N 1 2 298.386 2.107 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000187048400 369092204 /nfs/dbraw/zinc/09/22/04/369092204.db2.gz IANSTTILROMKEY-KRWDZBQOSA-N 1 2 298.386 2.107 20 30 CEEDLO COC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000189400456 369510080 /nfs/dbraw/zinc/51/00/80/369510080.db2.gz BZUBUAKIGKEKRV-CZUORRHYSA-N 1 2 293.794 2.427 20 30 CEEDLO COC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000189400456 369510084 /nfs/dbraw/zinc/51/00/84/369510084.db2.gz BZUBUAKIGKEKRV-CZUORRHYSA-N 1 2 293.794 2.427 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)NCCCNc1cccc[nH+]1 ZINC000276307863 193280804 /nfs/dbraw/zinc/28/08/04/193280804.db2.gz VJANZBQESYFHBR-INIZCTEOSA-N 1 2 291.395 2.229 20 30 CEEDLO C=C(Br)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190663724 369643598 /nfs/dbraw/zinc/64/35/98/369643598.db2.gz PCRNXSLAHQGCEW-UHFFFAOYSA-N 1 2 299.216 2.455 20 30 CEEDLO C=C(Br)C[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190663724 369643604 /nfs/dbraw/zinc/64/36/04/369643604.db2.gz PCRNXSLAHQGCEW-UHFFFAOYSA-N 1 2 299.216 2.455 20 30 CEEDLO C=CCOCCC[N@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000351957295 369657820 /nfs/dbraw/zinc/65/78/20/369657820.db2.gz JPJDXRAUBBYFKX-ZDUSSCGKSA-N 1 2 294.399 2.071 20 30 CEEDLO C=CCOCCC[N@@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000351957295 369657824 /nfs/dbraw/zinc/65/78/24/369657824.db2.gz JPJDXRAUBBYFKX-ZDUSSCGKSA-N 1 2 294.399 2.071 20 30 CEEDLO C=CCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000276476555 193348227 /nfs/dbraw/zinc/34/82/27/193348227.db2.gz SISKHUFNRBRICY-AWEZNQCLSA-N 1 2 291.347 2.195 20 30 CEEDLO C=CCC[N@H+](C)[C@H](C(=O)OC)c1cccc(C(=O)OC)c1 ZINC000276476555 193348229 /nfs/dbraw/zinc/34/82/29/193348229.db2.gz SISKHUFNRBRICY-AWEZNQCLSA-N 1 2 291.347 2.195 20 30 CEEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000352466153 369743412 /nfs/dbraw/zinc/74/34/12/369743412.db2.gz ARNCEJMGCANRNQ-HNNXBMFYSA-N 1 2 299.378 2.182 20 30 CEEDLO CC#CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621094 369810302 /nfs/dbraw/zinc/81/03/02/369810302.db2.gz LTMVYQXCLNZPPL-UHFFFAOYSA-N 1 2 260.293 2.203 20 30 CEEDLO CC#CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621094 369810304 /nfs/dbraw/zinc/81/03/04/369810304.db2.gz LTMVYQXCLNZPPL-UHFFFAOYSA-N 1 2 260.293 2.203 20 30 CEEDLO C#CC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192226650 369782336 /nfs/dbraw/zinc/78/23/36/369782336.db2.gz VZHSCTLDKFKHQJ-ZDUSSCGKSA-N 1 2 280.730 2.149 20 30 CEEDLO C#CC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192226650 369782341 /nfs/dbraw/zinc/78/23/41/369782341.db2.gz VZHSCTLDKFKHQJ-ZDUSSCGKSA-N 1 2 280.730 2.149 20 30 CEEDLO C=C(Br)C[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000194956933 370089965 /nfs/dbraw/zinc/08/99/65/370089965.db2.gz WDKVUDYJXWDUNF-UHFFFAOYSA-N 1 2 291.189 2.059 20 30 CEEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000194956933 370089971 /nfs/dbraw/zinc/08/99/71/370089971.db2.gz WDKVUDYJXWDUNF-UHFFFAOYSA-N 1 2 291.189 2.059 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)CC ZINC000195525899 370136395 /nfs/dbraw/zinc/13/63/95/370136395.db2.gz JHASAHJVSGSJAX-NSHDSACASA-N 1 2 270.336 2.017 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)CCc1c[nH+]cn1C ZINC000354101449 370217044 /nfs/dbraw/zinc/21/70/44/370217044.db2.gz UEHQNJOBMBUDKY-UHFFFAOYSA-N 1 2 297.362 2.295 20 30 CEEDLO C=CCN(CC(F)(F)F)CC(C)(C)[NH+]1CCOCC1 ZINC000637971579 370207286 /nfs/dbraw/zinc/20/72/86/370207286.db2.gz 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ZINC000492905244 380726438 /nfs/dbraw/zinc/72/64/38/380726438.db2.gz ZHQFOKXHQSJZRB-MLRMMBSGSA-N 1 2 266.304 2.172 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493402450 380967870 /nfs/dbraw/zinc/96/78/70/380967870.db2.gz QCCLLEJSTSUBRU-XQRVVYSFSA-N 1 2 281.319 2.365 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3=CCCC3)CC2)cc1 ZINC000334801514 207101831 /nfs/dbraw/zinc/10/18/31/207101831.db2.gz HZVKFYXGJAYPQF-UHFFFAOYSA-N 1 2 295.386 2.313 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CCC1(F)F ZINC000334839766 207168057 /nfs/dbraw/zinc/16/80/57/207168057.db2.gz ZVVCYYJLIFYORQ-MRVPVSSYSA-N 1 2 257.309 2.492 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CCC1(F)F ZINC000334839766 207168060 /nfs/dbraw/zinc/16/80/60/207168060.db2.gz ZVVCYYJLIFYORQ-MRVPVSSYSA-N 1 2 257.309 2.492 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000335340522 208229210 /nfs/dbraw/zinc/22/92/10/208229210.db2.gz CFWMQAZYIVAIJL-UHFFFAOYSA-N 1 2 280.331 2.301 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000335340522 208229215 /nfs/dbraw/zinc/22/92/15/208229215.db2.gz CFWMQAZYIVAIJL-UHFFFAOYSA-N 1 2 280.331 2.301 20 30 CEEDLO CSCCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186840575 262111916 /nfs/dbraw/zinc/11/19/16/262111916.db2.gz SEEFSBLCMXYDGM-UHFFFAOYSA-N 1 2 290.335 2.386 20 30 CEEDLO O=C(NC[C@@H]1CCCOC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329233424 227371587 /nfs/dbraw/zinc/37/15/87/227371587.db2.gz GVXGQAKANNYVEQ-ZFWWWQNUSA-N 1 2 296.411 2.013 20 30 CEEDLO O=C(NC[C@@H]1CCCOC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329233424 227371590 /nfs/dbraw/zinc/37/15/90/227371590.db2.gz GVXGQAKANNYVEQ-ZFWWWQNUSA-N 1 2 296.411 2.013 20 30 CEEDLO C=CCSCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000363664826 260026132 /nfs/dbraw/zinc/02/61/32/260026132.db2.gz DQJRCMVPEXFZDH-UHFFFAOYSA-N 1 2 296.461 2.142 20 30 CEEDLO C=CCSCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000363664826 260026135 /nfs/dbraw/zinc/02/61/35/260026135.db2.gz DQJRCMVPEXFZDH-UHFFFAOYSA-N 1 2 296.461 2.142 20 30 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299.378 2.270 20 30 CEEDLO Cc1nsc(C)c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000328972415 394559035 /nfs/dbraw/zinc/55/90/35/394559035.db2.gz BUEPMJPCNPVDCX-JTQLQIEISA-N 1 2 276.365 2.276 20 30 CEEDLO C[C@@H]1OCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329101146 394560557 /nfs/dbraw/zinc/56/05/57/394560557.db2.gz DZMPTWMEQBEGFU-CMPLNLGQSA-N 1 2 259.309 2.216 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329903740 394592863 /nfs/dbraw/zinc/59/28/63/394592863.db2.gz QMKKNXRTHGPEDD-ZIAGYGMSSA-N 1 2 296.411 2.035 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329903740 394592866 /nfs/dbraw/zinc/59/28/66/394592866.db2.gz QMKKNXRTHGPEDD-ZIAGYGMSSA-N 1 2 296.411 2.035 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1(CCF)CC1 ZINC000329592917 394575473 /nfs/dbraw/zinc/57/54/73/394575473.db2.gz UMWKYGGPXFRDOY-SECBINFHSA-N 1 2 251.305 2.363 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1(CCF)CC1 ZINC000329592917 394575475 /nfs/dbraw/zinc/57/54/75/394575475.db2.gz 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ZINC000329877350 394591353 /nfs/dbraw/zinc/59/13/53/394591353.db2.gz JEZMNIMJSCEYOK-LOWVWBTDSA-N 1 2 276.384 2.096 20 30 CEEDLO C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330370773 394601565 /nfs/dbraw/zinc/60/15/65/394601565.db2.gz GKONUSDDMGBHTE-VIFPVBQESA-N 1 2 290.289 2.201 20 30 CEEDLO COc1ccccc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330624284 394622863 /nfs/dbraw/zinc/62/28/63/394622863.db2.gz RBAZCUHUSQMMDO-OLZOCXBDSA-N 1 2 292.379 2.109 20 30 CEEDLO COCCn1cc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000271167378 394749472 /nfs/dbraw/zinc/74/94/72/394749472.db2.gz OKCZZMKDGRTWEO-UHFFFAOYSA-N 1 2 278.400 2.291 20 30 CEEDLO COCCn1cc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000271167378 394749478 /nfs/dbraw/zinc/74/94/78/394749478.db2.gz OKCZZMKDGRTWEO-UHFFFAOYSA-N 1 2 278.400 2.291 20 30 CEEDLO CC[N@@H+](CCC#N)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000267051781 394672654 /nfs/dbraw/zinc/67/26/54/394672654.db2.gz GIVRHTSEQUZBHW-UHFFFAOYSA-N 1 2 293.323 2.218 20 30 CEEDLO CC[N@H+](CCC#N)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000267051781 394672657 /nfs/dbraw/zinc/67/26/57/394672657.db2.gz GIVRHTSEQUZBHW-UHFFFAOYSA-N 1 2 293.323 2.218 20 30 CEEDLO Cc1csc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000268009936 394687632 /nfs/dbraw/zinc/68/76/32/394687632.db2.gz GORVBIRCFOZBLL-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO C[C@H]1CC[N@@H+]2[C@@H](C1)C(=O)NC21CCC(C)(C#N)CC1 ZINC000334841662 394714646 /nfs/dbraw/zinc/71/46/46/394714646.db2.gz PXOSSQQMQWJLRM-XOEAPDPESA-N 1 2 261.369 2.017 20 30 CEEDLO C[C@H]1CC[N@H+]2[C@@H](C1)C(=O)NC21CCC(C)(C#N)CC1 ZINC000334841662 394714648 /nfs/dbraw/zinc/71/46/48/394714648.db2.gz PXOSSQQMQWJLRM-XOEAPDPESA-N 1 2 261.369 2.017 20 30 CEEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(C#N)CC1 ZINC000271211614 394752787 /nfs/dbraw/zinc/75/27/87/394752787.db2.gz HVHVDJUGSMKIAP-NSHDSACASA-N 1 2 282.347 2.370 20 30 CEEDLO N#CC1(C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000359619751 394764881 /nfs/dbraw/zinc/76/48/81/394764881.db2.gz VYRCEBDYQOGWEU-GFCCVEGCSA-N 1 2 295.180 2.376 20 30 CEEDLO C[C@@H](N1CC[NH+](CCC(C)(C)C#N)CC1)C(F)(F)F ZINC000119714900 394771873 /nfs/dbraw/zinc/77/18/73/394771873.db2.gz UAVHVNUWSOCQFY-LLVKDONJSA-N 1 2 277.334 2.495 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335556673 394774797 /nfs/dbraw/zinc/77/47/97/394774797.db2.gz BITJKNRCJKONJG-STQMWFEESA-N 1 2 259.353 2.013 20 30 CEEDLO CC(C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000335866338 394806184 /nfs/dbraw/zinc/80/61/84/394806184.db2.gz ZNMLGTKDSYMAFS-UHFFFAOYSA-N 1 2 272.283 2.500 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000360939263 394811504 /nfs/dbraw/zinc/81/15/04/394811504.db2.gz GBGKKFJBJVTNPC-SNVBAGLBSA-N 1 2 286.173 2.466 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000360939263 394811507 /nfs/dbraw/zinc/81/15/07/394811507.db2.gz GBGKKFJBJVTNPC-SNVBAGLBSA-N 1 2 286.173 2.466 20 30 CEEDLO Cc1cc(N2CCO[C@@H](C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000124949722 394840945 /nfs/dbraw/zinc/84/09/45/394840945.db2.gz ABTHNIIJQMCWPS-LBPRGKRZSA-N 1 2 271.295 2.411 20 30 CEEDLO C[C@@H](C#N)CN(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000338295003 394911311 /nfs/dbraw/zinc/91/13/11/394911311.db2.gz GDCRGFLKKOKMOM-NSHDSACASA-N 1 2 268.320 2.099 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CC(C)(C)C#N)CCC2 ZINC000366003263 394936148 /nfs/dbraw/zinc/93/61/48/394936148.db2.gz XTHPTPWWYKEJMF-LBPRGKRZSA-N 1 2 274.368 2.125 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366516998 394947178 /nfs/dbraw/zinc/94/71/78/394947178.db2.gz GBMYZGDTVUJOLI-JKSUJKDBSA-N 1 2 271.364 2.010 20 30 CEEDLO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000366516998 394947181 /nfs/dbraw/zinc/94/71/81/394947181.db2.gz GBMYZGDTVUJOLI-JKSUJKDBSA-N 1 2 271.364 2.010 20 30 CEEDLO CC(C)OCc1nc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)no1 ZINC000339203314 394952116 /nfs/dbraw/zinc/95/21/16/394952116.db2.gz HZNURQBUFLIKLI-TUAOUCFPSA-N 1 2 278.356 2.337 20 30 CEEDLO C=CCC(CC=C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286001280 394998481 /nfs/dbraw/zinc/99/84/81/394998481.db2.gz YKNRMIRDHHJJFK-ZBFHGGJFSA-N 1 2 292.423 2.076 20 30 CEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCCCC#N)CCC2 ZINC000370949371 395022484 /nfs/dbraw/zinc/02/24/84/395022484.db2.gz AHKZOJWAASMJKX-CYBMUJFWSA-N 1 2 289.383 2.062 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000134855682 394959506 /nfs/dbraw/zinc/95/95/06/394959506.db2.gz ZKLLBYZGOOSTDX-MRXNPFEDSA-N 1 2 273.380 2.333 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000135075934 394962780 /nfs/dbraw/zinc/96/27/80/394962780.db2.gz NPENWWIBRIGBDX-DOMZBBRYSA-N 1 2 295.452 2.224 20 30 CEEDLO CC#CCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000135095525 394962825 /nfs/dbraw/zinc/96/28/25/394962825.db2.gz MZLPKUZEFRBYJF-UHFFFAOYSA-N 1 2 284.363 2.057 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000135145269 394963435 /nfs/dbraw/zinc/96/34/35/394963435.db2.gz WDZGVYZKFYKTNR-XJKSGUPXSA-N 1 2 273.380 2.379 20 30 CEEDLO Cc1cc(NCc2[nH+]ccn2CC(C)C)c(C#N)cn1 ZINC000425224494 395051770 /nfs/dbraw/zinc/05/17/70/395051770.db2.gz DNASDUPXTVROOU-UHFFFAOYSA-N 1 2 269.352 2.148 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)CCN1c2ccccc2O[C@H](C)C1=O ZINC000373167370 395056264 /nfs/dbraw/zinc/05/62/64/395056264.db2.gz NZBBBICOANVIML-QWHCGFSZSA-N 1 2 287.363 2.034 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)CCN1c2ccccc2O[C@H](C)C1=O ZINC000373167370 395056266 /nfs/dbraw/zinc/05/62/66/395056266.db2.gz NZBBBICOANVIML-QWHCGFSZSA-N 1 2 287.363 2.034 20 30 CEEDLO Cc1nc(N(C)[C@H](C)c2cccc(C#N)c2)nc(N(C)C)[nH+]1 ZINC000425287207 395056651 /nfs/dbraw/zinc/05/66/51/395056651.db2.gz VSHYTTJJGPAJKQ-LLVKDONJSA-N 1 2 296.378 2.315 20 30 CEEDLO Cc1nc(N(C)C)nc(N(C)[C@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000425287207 395056656 /nfs/dbraw/zinc/05/66/56/395056656.db2.gz VSHYTTJJGPAJKQ-LLVKDONJSA-N 1 2 296.378 2.315 20 30 CEEDLO CC#CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000159671439 395059193 /nfs/dbraw/zinc/05/91/93/395059193.db2.gz KSMDMIBYNAGRQC-UHFFFAOYSA-N 1 2 269.348 2.157 20 30 CEEDLO CC#CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000159671439 395059197 /nfs/dbraw/zinc/05/91/97/395059197.db2.gz KSMDMIBYNAGRQC-UHFFFAOYSA-N 1 2 269.348 2.157 20 30 CEEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](C#N)CCC#N)C[C@H](C)O2 ZINC000374023301 395069601 /nfs/dbraw/zinc/06/96/01/395069601.db2.gz AINRPWAVJQXGAY-FXUDXRNXSA-N 1 2 291.395 2.088 20 30 CEEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@H](C#N)CCC#N)C[C@H](C)O2 ZINC000374023301 395069603 /nfs/dbraw/zinc/06/96/03/395069603.db2.gz AINRPWAVJQXGAY-FXUDXRNXSA-N 1 2 291.395 2.088 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2c2ccccc2F)C1=O ZINC000374160369 395076424 /nfs/dbraw/zinc/07/64/24/395076424.db2.gz KQHADBZAIQUTQW-CABCVRRESA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2c2ccccc2F)C1=O ZINC000374160369 395076427 /nfs/dbraw/zinc/07/64/27/395076427.db2.gz KQHADBZAIQUTQW-CABCVRRESA-N 1 2 274.339 2.359 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccccc1F ZINC000345833157 395079940 /nfs/dbraw/zinc/07/99/40/395079940.db2.gz AQZPNOSVAVQVHE-LBPRGKRZSA-N 1 2 289.354 2.208 20 30 CEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccccc1F ZINC000345833157 395079942 /nfs/dbraw/zinc/07/99/42/395079942.db2.gz AQZPNOSVAVQVHE-LBPRGKRZSA-N 1 2 289.354 2.208 20 30 CEEDLO CCC[N@H+](Cc1cnn(C)n1)Cc1ccc(C#N)cc1 ZINC000289792486 395087232 /nfs/dbraw/zinc/08/72/32/395087232.db2.gz LVXQDRIRXJDMCH-UHFFFAOYSA-N 1 2 269.352 2.099 20 30 CEEDLO CCC[N@@H+](Cc1cnn(C)n1)Cc1ccc(C#N)cc1 ZINC000289792486 395087236 /nfs/dbraw/zinc/08/72/36/395087236.db2.gz LVXQDRIRXJDMCH-UHFFFAOYSA-N 1 2 269.352 2.099 20 30 CEEDLO COc1cccc(N2CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000343248596 395034917 /nfs/dbraw/zinc/03/49/17/395034917.db2.gz LBMFWBXEFFZVFS-UHFFFAOYSA-N 1 2 271.364 2.121 20 30 CEEDLO N#CC1(CN(CC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000343315315 395037622 /nfs/dbraw/zinc/03/76/22/395037622.db2.gz PGJWREZTUNFZJF-UHFFFAOYSA-N 1 2 285.391 2.129 20 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RCMCXRSHBWLJFI-UHFFFAOYSA-N 1 2 293.370 2.230 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](CC)O[C@]2(CCCOC2)C1 ZINC000376013734 395106994 /nfs/dbraw/zinc/10/69/94/395106994.db2.gz JVZZRBONTPZYQR-QWHCGFSZSA-N 1 2 259.777 2.399 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)O[C@]2(CCCOC2)C1 ZINC000376013734 395106996 /nfs/dbraw/zinc/10/69/96/395106996.db2.gz JVZZRBONTPZYQR-QWHCGFSZSA-N 1 2 259.777 2.399 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376110440 395109439 /nfs/dbraw/zinc/10/94/39/395109439.db2.gz BHTIXLBRNGYNQU-BBRMVZONSA-N 1 2 286.379 2.106 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000376174031 395111693 /nfs/dbraw/zinc/11/16/93/395111693.db2.gz OCXQYIVQRWEHLL-HNNXBMFYSA-N 1 2 293.370 2.492 20 30 CEEDLO Cc1cc(C)n2c(C[NH+]3CCC(F)(C#N)CC3)cnc2n1 ZINC000348714251 395149687 /nfs/dbraw/zinc/14/96/87/395149687.db2.gz YDILEEGKSJPGQW-UHFFFAOYSA-N 1 2 287.342 2.174 20 30 CEEDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@H](C#N)CCC#N ZINC000178407623 395167396 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C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000516721632 395183688 /nfs/dbraw/zinc/18/36/88/395183688.db2.gz IFHRONXRUBEJSD-RISCZKNCSA-N 1 2 295.346 2.260 20 30 CEEDLO CCOC(=O)Nc1ccc(NCc2c[nH+]cn2C)cc1C#N ZINC000181507487 395217835 /nfs/dbraw/zinc/21/78/35/395217835.db2.gz QBXDGSVRWFKBEY-UHFFFAOYSA-N 1 2 299.334 2.472 20 30 CEEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000528734108 395294044 /nfs/dbraw/zinc/29/40/44/395294044.db2.gz YPKZLRBTQPEPMQ-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000528734108 395294046 /nfs/dbraw/zinc/29/40/46/395294046.db2.gz YPKZLRBTQPEPMQ-INIZCTEOSA-N 1 2 274.364 2.104 20 30 CEEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352461971 395257197 /nfs/dbraw/zinc/25/71/97/395257197.db2.gz ALFNGEUMTOOAOE-GFCCVEGCSA-N 1 2 281.375 2.151 20 30 CEEDLO C[C@@H](NC(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352481964 395259217 /nfs/dbraw/zinc/25/92/17/395259217.db2.gz FTSJWXXUHYBZJH-CYBMUJFWSA-N 1 2 289.354 2.191 20 30 CEEDLO CC#CCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000184484583 395272209 /nfs/dbraw/zinc/27/22/09/395272209.db2.gz BBLCHKBBBSMQEB-UHFFFAOYSA-N 1 2 277.393 2.263 20 30 CEEDLO CC#CCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000184484583 395272211 /nfs/dbraw/zinc/27/22/11/395272211.db2.gz BBLCHKBBBSMQEB-UHFFFAOYSA-N 1 2 277.393 2.263 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000354343535 395328865 /nfs/dbraw/zinc/32/88/65/395328865.db2.gz NUALTPIJEJCVSH-WFASDCNBSA-N 1 2 274.368 2.125 20 30 CEEDLO CCN1CC[N@H+](CCC2(C#N)CCCCC2)[C@H](C)C1=O ZINC000411565883 395329938 /nfs/dbraw/zinc/32/99/38/395329938.db2.gz GBOULUUNGUEHRW-CQSZACIVSA-N 1 2 277.412 2.403 20 30 CEEDLO CCN1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)C1=O ZINC000411565883 395329943 /nfs/dbraw/zinc/32/99/43/395329943.db2.gz GBOULUUNGUEHRW-CQSZACIVSA-N 1 2 277.412 2.403 20 30 CEEDLO N#Cc1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000193088822 395401753 /nfs/dbraw/zinc/40/17/53/395401753.db2.gz 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395554842 /nfs/dbraw/zinc/55/48/42/395554842.db2.gz LGMMYIVJNHURMM-UHFFFAOYSA-N 1 2 274.368 2.230 20 30 CEEDLO Cc1ccc2nc(C[NH2+]C[C@H](C#N)CCC#N)cn2c1 ZINC000569961094 395581037 /nfs/dbraw/zinc/58/10/37/395581037.db2.gz WTBWDNNFXFLTEH-ZDUSSCGKSA-N 1 2 267.336 2.176 20 30 CEEDLO Cc1ccc2[nH+]c(CNC[C@H](C#N)CCC#N)cn2c1 ZINC000569961094 395581040 /nfs/dbraw/zinc/58/10/40/395581040.db2.gz WTBWDNNFXFLTEH-ZDUSSCGKSA-N 1 2 267.336 2.176 20 30 CEEDLO Cc1c2ccccc2oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572668866 395587115 /nfs/dbraw/zinc/58/71/15/395587115.db2.gz GEAWAWZIMKYTHB-INIZCTEOSA-N 1 2 285.347 2.315 20 30 CEEDLO C=CCC1(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000451510929 395622067 /nfs/dbraw/zinc/62/20/67/395622067.db2.gz ZZBBIPLQRUMCHI-OAHLLOKOSA-N 1 2 294.439 2.302 20 30 CEEDLO C[N@H+](CC[C@H]1CCCO1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459430740 395666223 /nfs/dbraw/zinc/66/62/23/395666223.db2.gz LKZPIPWTVKCJPV-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO C[N@@H+](CC[C@H]1CCCO1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459430740 395666224 /nfs/dbraw/zinc/66/62/24/395666224.db2.gz LKZPIPWTVKCJPV-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000459507483 395666233 /nfs/dbraw/zinc/66/62/33/395666233.db2.gz VRULWRJECOHATL-ZDUSSCGKSA-N 1 2 289.335 2.466 20 30 CEEDLO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000459507483 395666234 /nfs/dbraw/zinc/66/62/34/395666234.db2.gz VRULWRJECOHATL-ZDUSSCGKSA-N 1 2 289.335 2.466 20 30 CEEDLO COC1(C)C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000459581248 395666463 /nfs/dbraw/zinc/66/64/63/395666463.db2.gz KLKQYDVZDBCILK-UHFFFAOYSA-N 1 2 296.374 2.179 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000491726843 395670420 /nfs/dbraw/zinc/67/04/20/395670420.db2.gz DUWOHZZFAAYGBN-VIFPVBQESA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000491726843 395670421 /nfs/dbraw/zinc/67/04/21/395670421.db2.gz DUWOHZZFAAYGBN-VIFPVBQESA-N 1 2 268.719 2.371 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000491339530 400590928 /nfs/dbraw/zinc/59/09/28/400590928.db2.gz QQBJEFYNIAMWOP-HUUCEWRRSA-N 1 2 263.381 2.202 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000491339530 400590935 /nfs/dbraw/zinc/59/09/35/400590935.db2.gz QQBJEFYNIAMWOP-HUUCEWRRSA-N 1 2 263.381 2.202 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC000491644119 400593938 /nfs/dbraw/zinc/59/39/38/400593938.db2.gz ITJOTRWLLSEDCH-CQSZACIVSA-N 1 2 259.353 2.155 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000491683218 400594599 /nfs/dbraw/zinc/59/45/99/400594599.db2.gz XDDSKLNGJHALEB-UHFFFAOYSA-N 1 2 270.336 2.284 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000491683218 400594603 /nfs/dbraw/zinc/59/46/03/400594603.db2.gz XDDSKLNGJHALEB-UHFFFAOYSA-N 1 2 270.336 2.284 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490591 287291367 /nfs/dbraw/zinc/29/13/67/287291367.db2.gz KFKJCMJTLVWEDJ-OLZOCXBDSA-N 1 2 281.375 2.009 20 30 CEEDLO C=C(C)CN(CC)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663383024 414937644 /nfs/dbraw/zinc/93/76/44/414937644.db2.gz MYIQBNXDHMOJAO-UHFFFAOYSA-N 1 2 290.411 2.230 20 30 CEEDLO C=C(C)CN(CC)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663383024 414937650 /nfs/dbraw/zinc/93/76/50/414937650.db2.gz MYIQBNXDHMOJAO-UHFFFAOYSA-N 1 2 290.411 2.230 20 30 CEEDLO C=CCCCN(C)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663637997 415000741 /nfs/dbraw/zinc/00/07/41/415000741.db2.gz GTYNJIZEFLRAKA-UHFFFAOYSA-N 1 2 290.411 2.230 20 30 CEEDLO C=CCCCN(C)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663637997 415000748 /nfs/dbraw/zinc/00/07/48/415000748.db2.gz GTYNJIZEFLRAKA-UHFFFAOYSA-N 1 2 290.411 2.230 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)Cc2cccc(OC)c2)nn1 ZINC000653487325 415009838 /nfs/dbraw/zinc/00/98/38/415009838.db2.gz RLWCEKYCXIHNAC-UHFFFAOYSA-N 1 2 286.379 2.495 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)Cc2cccc(OC)c2)nn1 ZINC000653487325 415009840 /nfs/dbraw/zinc/00/98/40/415009840.db2.gz RLWCEKYCXIHNAC-UHFFFAOYSA-N 1 2 286.379 2.495 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@@H](CC)C2)nn1 ZINC000653560975 415035208 /nfs/dbraw/zinc/03/52/08/415035208.db2.gz OEUJREJIDQDIIA-ZDUSSCGKSA-N 1 2 266.414 2.182 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@@H](CC)C2)nn1 ZINC000653560975 415035215 /nfs/dbraw/zinc/03/52/15/415035215.db2.gz OEUJREJIDQDIIA-ZDUSSCGKSA-N 1 2 266.414 2.182 20 30 CEEDLO C=CC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)COC ZINC000661245308 415155312 /nfs/dbraw/zinc/15/53/12/415155312.db2.gz AVBGXVULPMASNT-NSHDSACASA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)COC ZINC000661245308 415155317 /nfs/dbraw/zinc/15/53/17/415155317.db2.gz AVBGXVULPMASNT-NSHDSACASA-N 1 2 277.324 2.353 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cccc(F)c1)[C@H](C)COC ZINC000661247754 415158360 /nfs/dbraw/zinc/15/83/60/415158360.db2.gz QUCBXLXRRCIDCP-GFCCVEGCSA-N 1 2 280.343 2.287 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(F)c1)[C@H](C)COC ZINC000661247754 415158363 /nfs/dbraw/zinc/15/83/63/415158363.db2.gz QUCBXLXRRCIDCP-GFCCVEGCSA-N 1 2 280.343 2.287 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664830266 415491210 /nfs/dbraw/zinc/49/12/10/415491210.db2.gz UOSJXPFQTZPIQU-CABCVRRESA-N 1 2 285.391 2.251 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CC(C)(C)[C@@H]2c2ccncc2)C1=O ZINC000664830266 415491211 /nfs/dbraw/zinc/49/12/11/415491211.db2.gz UOSJXPFQTZPIQU-CABCVRRESA-N 1 2 285.391 2.251 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827235 415493755 /nfs/dbraw/zinc/49/37/55/415493755.db2.gz HKHSHXUEUITLEV-TZMCWYRMSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827235 415493763 /nfs/dbraw/zinc/49/37/63/415493763.db2.gz HKHSHXUEUITLEV-TZMCWYRMSA-N 1 2 273.380 2.155 20 30 CEEDLO C=CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)C(C)(C)C ZINC000661759154 415448728 /nfs/dbraw/zinc/44/87/28/415448728.db2.gz ZSKQQVOIZDCIIW-UHFFFAOYSA-N 1 2 271.382 2.470 20 30 CEEDLO C=CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)C(C)(C)C ZINC000661759154 415448737 /nfs/dbraw/zinc/44/87/37/415448737.db2.gz ZSKQQVOIZDCIIW-UHFFFAOYSA-N 1 2 271.382 2.470 20 30 CEEDLO C=CCC[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000655794336 415473873 /nfs/dbraw/zinc/47/38/73/415473873.db2.gz MFZMLNHGJUEWNA-QWRGUYRKSA-N 1 2 250.346 2.101 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1)C1CC1 ZINC000655797934 415477183 /nfs/dbraw/zinc/47/71/83/415477183.db2.gz SDVRAZBHEINPIB-OLZOCXBDSA-N 1 2 276.384 2.491 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000656681832 415809358 /nfs/dbraw/zinc/80/93/58/415809358.db2.gz MKDBRMYBWQQLOJ-NEPJUHHUSA-N 1 2 279.409 2.383 20 30 CEEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000660262117 415946468 /nfs/dbraw/zinc/94/64/68/415946468.db2.gz QCWZTIZTEYPPFN-QWHCGFSZSA-N 1 2 260.385 2.457 20 30 CEEDLO CC[C@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000077316422 177251969 /nfs/dbraw/zinc/25/19/69/177251969.db2.gz YQIRIPUNDRDHGN-AWEZNQCLSA-N 1 2 290.363 2.056 20 30 CEEDLO CC[C@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000077316422 177251970 /nfs/dbraw/zinc/25/19/70/177251970.db2.gz YQIRIPUNDRDHGN-AWEZNQCLSA-N 1 2 290.363 2.056 20 30 CEEDLO Cc1c(O)ccc2c(C[N@H+](C)CCC#N)cc(=O)oc12 ZINC000078645571 177365569 /nfs/dbraw/zinc/36/55/69/177365569.db2.gz BSCIEBABDQFCIP-UHFFFAOYSA-N 1 2 272.304 2.153 20 30 CEEDLO Cc1c(O)ccc2c(C[N@@H+](C)CCC#N)cc(=O)oc12 ZINC000078645571 177365571 /nfs/dbraw/zinc/36/55/71/177365571.db2.gz BSCIEBABDQFCIP-UHFFFAOYSA-N 1 2 272.304 2.153 20 30 CEEDLO C[C@H](C#N)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000347067492 226012234 /nfs/dbraw/zinc/01/22/34/226012234.db2.gz KODAFGPBQFMRDI-SBJJXXPASA-N 1 2 283.375 2.004 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000331684407 228118701 /nfs/dbraw/zinc/11/87/01/228118701.db2.gz VLZYKIXUQSRMKH-GOEBONIOSA-N 1 2 283.375 2.396 20 30 CEEDLO [O-]C(NC1CCCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330181685 228058170 /nfs/dbraw/zinc/05/81/70/228058170.db2.gz GTILMPIVTBZRJJ-CYBMUJFWSA-N 1 2 276.384 2.424 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCCCCC1 ZINC000330181685 228058172 /nfs/dbraw/zinc/05/81/72/228058172.db2.gz GTILMPIVTBZRJJ-CYBMUJFWSA-N 1 2 276.384 2.424 20 30 CEEDLO [O-]C(NC[C@@H]1CCC(F)(F)C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330284339 228092353 /nfs/dbraw/zinc/09/23/53/228092353.db2.gz XIVAPOSWHUMGSJ-MNOVXSKESA-N 1 2 298.337 2.137 20 30 CEEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCC(F)(F)C1 ZINC000330284339 228092356 /nfs/dbraw/zinc/09/23/56/228092356.db2.gz XIVAPOSWHUMGSJ-MNOVXSKESA-N 1 2 298.337 2.137 20 30 CEEDLO N#CC1CCC(CNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000335924204 228166177 /nfs/dbraw/zinc/16/61/77/228166177.db2.gz AEUQKDKOMQIGID-UHFFFAOYSA-N 1 2 282.347 2.394 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667250454 419600135 /nfs/dbraw/zinc/60/01/35/419600135.db2.gz OUXWWRPUGNNTQT-NEPJUHHUSA-N 1 2 262.357 2.231 20 30 CEEDLO C=CC[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000116939554 260007872 /nfs/dbraw/zinc/00/78/72/260007872.db2.gz FLPVMEFRBSBOPH-GFCCVEGCSA-N 1 2 285.351 2.031 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(C(C)(C)C)n1 ZINC000517238512 260125922 /nfs/dbraw/zinc/12/59/22/260125922.db2.gz CLIHRINEEBYMOL-CQSZACIVSA-N 1 2 294.424 2.014 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(COC)on1 ZINC000298539986 260157099 /nfs/dbraw/zinc/15/70/99/260157099.db2.gz SWAUGDLXVODWKB-UHFFFAOYSA-N 1 2 286.331 2.123 20 30 CEEDLO N#CCCN(CC1CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068391435 260255599 /nfs/dbraw/zinc/25/55/99/260255599.db2.gz JQJIVXPUSJPCSG-UHFFFAOYSA-N 1 2 268.320 2.100 20 30 CEEDLO COc1cccc(/C=[NH+]/CCCn2cccn2)c1O ZINC000075691757 260291343 /nfs/dbraw/zinc/29/13/43/260291343.db2.gz GCPPOMHFYQXLHR-RVDMUPIBSA-N 1 2 259.309 2.107 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000155936052 260777407 /nfs/dbraw/zinc/77/74/07/260777407.db2.gz BKFYJDFCFWUGKA-ZDUSSCGKSA-N 1 2 265.316 2.066 20 30 CEEDLO COc1ccc(C[NH+]2CCOCC2)cc1OCCCC#N ZINC000154516055 261092239 /nfs/dbraw/zinc/09/22/39/261092239.db2.gz RZBWMPNCFNZYEH-UHFFFAOYSA-N 1 2 290.363 2.210 20 30 CEEDLO C=CCOC[C@H]([NH2+]CC1CCCCCC1)C(=O)OC ZINC000361110262 261163376 /nfs/dbraw/zinc/16/33/76/261163376.db2.gz OXTIZWUSZGAYKB-AWEZNQCLSA-N 1 2 269.385 2.291 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171923446 261485632 /nfs/dbraw/zinc/48/56/32/261485632.db2.gz ORGYTBAPAVOSQG-CQSZACIVSA-N 1 2 256.309 2.002 20 30 CEEDLO CCc1nc([C@H](C)[NH2+]CC(=O)N(CC)CCC#N)cs1 ZINC000184745749 262027986 /nfs/dbraw/zinc/02/79/86/262027986.db2.gz SRCZWRMYSPFHAZ-NSHDSACASA-N 1 2 294.424 2.118 20 30 CEEDLO CO[C@H](C)c1noc(C[N@H+](C)CCC(C)(C)C#N)n1 ZINC000336798202 262396927 /nfs/dbraw/zinc/39/69/27/262396927.db2.gz DBYHPVZYMVMIDR-SNVBAGLBSA-N 1 2 266.345 2.149 20 30 CEEDLO CO[C@H](C)c1noc(C[N@@H+](C)CCC(C)(C)C#N)n1 ZINC000336798202 262396929 /nfs/dbraw/zinc/39/69/29/262396929.db2.gz DBYHPVZYMVMIDR-SNVBAGLBSA-N 1 2 266.345 2.149 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(C)(C#N)CC1 ZINC000272520793 263005576 /nfs/dbraw/zinc/00/55/76/263005576.db2.gz HHDZUTOJJGMQAT-SNVBAGLBSA-N 1 2 278.381 2.096 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000272551913 263006446 /nfs/dbraw/zinc/00/64/46/263006446.db2.gz KUQCLPALGFPKEQ-UHFFFAOYSA-N 1 2 292.770 2.299 20 30 CEEDLO CN(Cc1cccs1)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272595299 263007339 /nfs/dbraw/zinc/00/73/39/263007339.db2.gz QCCGBBAQVSSGPN-UHFFFAOYSA-N 1 2 291.420 2.332 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000274688797 263029183 /nfs/dbraw/zinc/02/91/83/263029183.db2.gz ZNIXBZLMBVYUFH-NSHDSACASA-N 1 2 271.324 2.457 20 30 CEEDLO CCC[N@H+](CC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282624674 263077867 /nfs/dbraw/zinc/07/78/67/263077867.db2.gz AJJVBOORYWWHOS-HNNXBMFYSA-N 1 2 285.391 2.384 20 30 CEEDLO CCC[N@@H+](CC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282624674 263077868 /nfs/dbraw/zinc/07/78/68/263077868.db2.gz AJJVBOORYWWHOS-HNNXBMFYSA-N 1 2 285.391 2.384 20 30 CEEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000282887922 263079384 /nfs/dbraw/zinc/07/93/84/263079384.db2.gz XLSJMOYKSJGGBV-GFCCVEGCSA-N 1 2 283.379 2.476 20 30 CEEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000282887922 263079385 /nfs/dbraw/zinc/07/93/85/263079385.db2.gz XLSJMOYKSJGGBV-GFCCVEGCSA-N 1 2 283.379 2.476 20 30 CEEDLO CO/N=C/C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000283036898 263080755 /nfs/dbraw/zinc/08/07/55/263080755.db2.gz LAYHUQMTOOROPA-OVCLIPMQSA-N 1 2 272.308 2.401 20 30 CEEDLO NC(=[NH+]OCc1ccccc1Cl)[C@@H]1CCCO1 ZINC000283996870 263085190 /nfs/dbraw/zinc/08/51/90/263085190.db2.gz HEJNPEJFRQZZPO-NSHDSACASA-N 1 2 254.717 2.308 20 30 CEEDLO CCCCc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)cs1 ZINC000283988930 263085275 /nfs/dbraw/zinc/08/52/75/263085275.db2.gz GXUPCEBJMGNKOQ-NSHDSACASA-N 1 2 283.397 2.454 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000285449683 263092924 /nfs/dbraw/zinc/09/29/24/263092924.db2.gz MQXUZDKULUDQDO-KRWDZBQOSA-N 1 2 296.374 2.487 20 30 CEEDLO N#CCCCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000291054792 263119545 /nfs/dbraw/zinc/11/95/45/263119545.db2.gz ZWPRPVAMCGFJGI-UHFFFAOYSA-N 1 2 282.347 2.241 20 30 CEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000291448164 263122638 /nfs/dbraw/zinc/12/26/38/263122638.db2.gz NPTYAAZXNUKCDO-INIZCTEOSA-N 1 2 280.331 2.294 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(OC)c1 ZINC000292071591 263127954 /nfs/dbraw/zinc/12/79/54/263127954.db2.gz CTKFJGHVDDMAST-UHFFFAOYSA-N 1 2 287.363 2.425 20 30 CEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cccc(OC)c1 ZINC000292071591 263127955 /nfs/dbraw/zinc/12/79/55/263127955.db2.gz CTKFJGHVDDMAST-UHFFFAOYSA-N 1 2 287.363 2.425 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(C#N)cc1OC ZINC000292137873 263128973 /nfs/dbraw/zinc/12/89/73/263128973.db2.gz JHKPZXKCYURRDZ-UHFFFAOYSA-N 1 2 285.347 2.347 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1ccc(C#N)cc1OC ZINC000292137873 263128974 /nfs/dbraw/zinc/12/89/74/263128974.db2.gz JHKPZXKCYURRDZ-UHFFFAOYSA-N 1 2 285.347 2.347 20 30 CEEDLO N#C[C@H]1CC[C@H](N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000293445120 263140593 /nfs/dbraw/zinc/14/05/93/263140593.db2.gz KFPGHLTUKOPNPU-KBPBESRZSA-N 1 2 259.353 2.089 20 30 CEEDLO N#CCC[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000298531447 263221124 /nfs/dbraw/zinc/22/11/24/263221124.db2.gz MEQWZAULIZDZEQ-OAHLLOKOSA-N 1 2 267.332 2.093 20 30 CEEDLO Cc1nsc(N2CC[NH+]([C@H](C)CCC#N)CC2)c1C#N ZINC000298547950 263222124 /nfs/dbraw/zinc/22/21/24/263222124.db2.gz NWLIEKWOSWQNMN-LLVKDONJSA-N 1 2 289.408 2.137 20 30 CEEDLO C=C(C)[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)OCC ZINC000341717025 263347521 /nfs/dbraw/zinc/34/75/21/263347521.db2.gz ICDAROKQSHBEND-DZGCQCFKSA-N 1 2 291.395 2.359 20 30 CEEDLO Cc1nn(C(C)(C)C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000330807512 264043268 /nfs/dbraw/zinc/04/32/68/264043268.db2.gz IFRMTBJNNCPLNI-UHFFFAOYSA-N 1 2 261.329 2.174 20 30 CEEDLO Cc1nn(C(C)(C)C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000330807512 264043269 /nfs/dbraw/zinc/04/32/69/264043269.db2.gz IFRMTBJNNCPLNI-UHFFFAOYSA-N 1 2 261.329 2.174 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1C#N ZINC000330835321 264051245 /nfs/dbraw/zinc/05/12/45/264051245.db2.gz LKNVOZGMAVDVDR-IACUBPJLSA-N 1 2 282.347 2.167 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000330952709 264086291 /nfs/dbraw/zinc/08/62/91/264086291.db2.gz QUXAVNQQIMTEIM-IUODEOHRSA-N 1 2 277.368 2.154 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000330952709 264086292 /nfs/dbraw/zinc/08/62/92/264086292.db2.gz QUXAVNQQIMTEIM-IUODEOHRSA-N 1 2 277.368 2.154 20 30 CEEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCCSC1 ZINC000331169697 264145875 /nfs/dbraw/zinc/14/58/75/264145875.db2.gz NSUCIXBARUHAJT-LBPRGKRZSA-N 1 2 294.424 2.047 20 30 CEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCC#N)CC1 ZINC000331178995 264154523 /nfs/dbraw/zinc/15/45/23/264154523.db2.gz YIYIQZZNQSRQKB-LBPRGKRZSA-N 1 2 292.408 2.254 20 30 CEEDLO CC(C)c1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)no1 ZINC000331360020 264208891 /nfs/dbraw/zinc/20/88/91/264208891.db2.gz XHWQDMWCUSVNCH-UHFFFAOYSA-N 1 2 295.383 2.213 20 30 CEEDLO CCO[C@@H]1C[C@]([NH2+]CCCCC#N)(C(=O)OC)C1(C)C ZINC000189852086 264334910 /nfs/dbraw/zinc/33/49/10/264334910.db2.gz IKMFMTYERCYBPM-DOMZBBRYSA-N 1 2 282.384 2.017 20 30 CEEDLO N#Cc1ccc2ncc(C[NH+]3CC(Cc4ccco4)C3)n2c1 ZINC000529648687 269987450 /nfs/dbraw/zinc/98/74/50/269987450.db2.gz GPWRVVOTIXXLQM-UHFFFAOYSA-N 1 2 292.342 2.473 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CCN(C(C)C)C(=O)C2)c1 ZINC000356937515 266214344 /nfs/dbraw/zinc/21/43/44/266214344.db2.gz PGIYOJJQWLJGMV-UHFFFAOYSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)c1 ZINC000356937515 266214347 /nfs/dbraw/zinc/21/43/47/266214347.db2.gz PGIYOJJQWLJGMV-UHFFFAOYSA-N 1 2 288.391 2.304 20 30 CEEDLO C=CC[N@H+](Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000357550885 266321996 /nfs/dbraw/zinc/32/19/96/266321996.db2.gz HRAUMGPMUSNMRU-UHFFFAOYSA-N 1 2 254.337 2.418 20 30 CEEDLO C=CC[N@@H+](Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000357550885 266322004 /nfs/dbraw/zinc/32/20/04/266322004.db2.gz HRAUMGPMUSNMRU-UHFFFAOYSA-N 1 2 254.337 2.418 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357940889 266387770 /nfs/dbraw/zinc/38/77/70/266387770.db2.gz XIZKFSYKUHBSRF-NEPJUHHUSA-N 1 2 276.384 2.311 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357940889 266387771 /nfs/dbraw/zinc/38/77/71/266387771.db2.gz XIZKFSYKUHBSRF-NEPJUHHUSA-N 1 2 276.384 2.311 20 30 CEEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363173688 267078550 /nfs/dbraw/zinc/07/85/50/267078550.db2.gz KALWQDSLPZOREL-CVEARBPZSA-N 1 2 285.391 2.236 20 30 CEEDLO CCN(C)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000363173688 267078553 /nfs/dbraw/zinc/07/85/53/267078553.db2.gz KALWQDSLPZOREL-CVEARBPZSA-N 1 2 285.391 2.236 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000363254464 267082564 /nfs/dbraw/zinc/08/25/64/267082564.db2.gz GAADVXPTPRWHBP-CYBMUJFWSA-N 1 2 258.369 2.165 20 30 CEEDLO CC#CC[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000363254464 267082565 /nfs/dbraw/zinc/08/25/65/267082565.db2.gz GAADVXPTPRWHBP-CYBMUJFWSA-N 1 2 258.369 2.165 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488046974 267133094 /nfs/dbraw/zinc/13/30/94/267133094.db2.gz WAHYRFZXHPXSEG-OAHLLOKOSA-N 1 2 272.348 2.394 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488046974 267133096 /nfs/dbraw/zinc/13/30/96/267133096.db2.gz WAHYRFZXHPXSEG-OAHLLOKOSA-N 1 2 272.348 2.394 20 30 CEEDLO CCSCC[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459605479 267179788 /nfs/dbraw/zinc/17/97/88/267179788.db2.gz CXXDUVLXBSMKTO-UHFFFAOYSA-N 1 2 262.378 2.374 20 30 CEEDLO C=C(C)C[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000368806444 267206307 /nfs/dbraw/zinc/20/63/07/267206307.db2.gz NVENMWCSFZAPCA-NWDGAFQWSA-N 1 2 263.341 2.285 20 30 CEEDLO C=C(C)C[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000368806444 267206308 /nfs/dbraw/zinc/20/63/08/267206308.db2.gz NVENMWCSFZAPCA-NWDGAFQWSA-N 1 2 263.341 2.285 20 30 CEEDLO N#CCC[C@@H](C#N)Cn1cc[nH+]c1-c1ccncc1 ZINC000369781594 267266536 /nfs/dbraw/zinc/26/65/36/267266536.db2.gz HLUQCJDKEXKCSC-LBPRGKRZSA-N 1 2 251.293 2.389 20 30 CEEDLO N#CCSCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000369838753 267271617 /nfs/dbraw/zinc/27/16/17/267271617.db2.gz ZOJHRNLDYNHEJT-LBPRGKRZSA-N 1 2 266.366 2.300 20 30 CEEDLO N#CCSCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000369838753 267271619 /nfs/dbraw/zinc/27/16/19/267271619.db2.gz ZOJHRNLDYNHEJT-LBPRGKRZSA-N 1 2 266.366 2.300 20 30 CEEDLO N#C[C@@H]1[N@H+](CC[C@H]2CCCO2)CCC[C@]12CCCCO2 ZINC000370123040 267293238 /nfs/dbraw/zinc/29/32/38/267293238.db2.gz QIICYRNAXGKTIL-OWCLPIDISA-N 1 2 278.396 2.483 20 30 CEEDLO N#C[C@@H]1[N@@H+](CC[C@H]2CCCO2)CCC[C@]12CCCCO2 ZINC000370123040 267293240 /nfs/dbraw/zinc/29/32/40/267293240.db2.gz QIICYRNAXGKTIL-OWCLPIDISA-N 1 2 278.396 2.483 20 30 CEEDLO C=C(Cl)CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371353338 267393449 /nfs/dbraw/zinc/39/34/49/267393449.db2.gz NDKOUTOJLOIIBZ-LBPRGKRZSA-N 1 2 294.786 2.102 20 30 CEEDLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1C ZINC000442681127 268093428 /nfs/dbraw/zinc/09/34/28/268093428.db2.gz OPWKFXUAIYELKK-NSHDSACASA-N 1 2 269.352 2.188 20 30 CEEDLO Cc1nnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1C ZINC000442681127 268093432 /nfs/dbraw/zinc/09/34/32/268093432.db2.gz OPWKFXUAIYELKK-NSHDSACASA-N 1 2 269.352 2.188 20 30 CEEDLO C=C(C)[C@H](CC(=O)Nc1c[nH+]ccc1OC)OCC ZINC000270045463 276873193 /nfs/dbraw/zinc/87/31/93/276873193.db2.gz KXEDTWIGQYGPND-ZDUSSCGKSA-N 1 2 264.325 2.400 20 30 CEEDLO CCN1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1=O ZINC000190223276 279289535 /nfs/dbraw/zinc/28/95/35/279289535.db2.gz YEQWKXHQYZFISQ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO CCN1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1=O ZINC000190223276 279289539 /nfs/dbraw/zinc/28/95/39/279289539.db2.gz YEQWKXHQYZFISQ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000246464389 280295046 /nfs/dbraw/zinc/29/50/46/280295046.db2.gz NPWRBIZPQQJMMQ-QLFBSQMISA-N 1 2 284.359 2.360 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000246464389 280295049 /nfs/dbraw/zinc/29/50/49/280295049.db2.gz NPWRBIZPQQJMMQ-QLFBSQMISA-N 1 2 284.359 2.360 20 30 CEEDLO NC(=O)[C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000131885865 295147582 /nfs/dbraw/zinc/14/75/82/295147582.db2.gz UPGUTIHOSLEECQ-CQSZACIVSA-N 1 2 276.767 2.031 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000329610671 295384283 /nfs/dbraw/zinc/38/42/83/295384283.db2.gz NUVHUWBGZNPBIL-ZOWXZIJZSA-N 1 2 288.395 2.446 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000329610671 295384285 /nfs/dbraw/zinc/38/42/85/295384285.db2.gz NUVHUWBGZNPBIL-ZOWXZIJZSA-N 1 2 288.395 2.446 20 30 CEEDLO COc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cn1 ZINC000162869333 297455662 /nfs/dbraw/zinc/45/56/62/297455662.db2.gz BLLNWMMVDKZFCH-UHFFFAOYSA-N 1 2 279.303 2.222 20 30 CEEDLO Cn1c[nH+]cc1Cc1noc(CCc2ccc(C#N)cc2)n1 ZINC000545141307 298327603 /nfs/dbraw/zinc/32/76/03/298327603.db2.gz LHDYYROBRCPUMU-UHFFFAOYSA-N 1 2 293.330 2.051 20 30 CEEDLO N#Cc1ccc(N2CCC(Nc3c[nH]c[nH+]3)CC2)cc1 ZINC000567091221 299038127 /nfs/dbraw/zinc/03/81/27/299038127.db2.gz NRDFEUOOLOFUAJ-UHFFFAOYSA-N 1 2 267.336 2.362 20 30 CEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCC(C)(C)C#N ZINC000347197095 302213931 /nfs/dbraw/zinc/21/39/31/302213931.db2.gz KNLFJUGUQXYFCJ-HNNXBMFYSA-N 1 2 285.391 2.408 20 30 CEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C#N ZINC000347197095 302213933 /nfs/dbraw/zinc/21/39/33/302213933.db2.gz KNLFJUGUQXYFCJ-HNNXBMFYSA-N 1 2 285.391 2.408 20 30 CEEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC000541050852 313422606 /nfs/dbraw/zinc/42/26/06/313422606.db2.gz CADGEUHXYNNMKZ-INIZCTEOSA-N 1 2 282.343 2.390 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)c2cscc2C#N)c2[nH+]ccn21 ZINC000571876118 314109260 /nfs/dbraw/zinc/10/92/60/314109260.db2.gz ATIQOGKESXHTRB-KWQFWETISA-N 1 2 272.333 2.252 20 30 CEEDLO C=CCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874896898 649865336 /nfs/dbraw/zinc/86/53/36/649865336.db2.gz STARFOFAZQNCIQ-CQSZACIVSA-N 1 2 262.328 2.265 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000101731448 328372904 /nfs/dbraw/zinc/37/29/04/328372904.db2.gz WZWDHNAWUPKIMW-LBPRGKRZSA-N 1 2 267.373 2.279 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCC#N ZINC000101731448 328372906 /nfs/dbraw/zinc/37/29/06/328372906.db2.gz WZWDHNAWUPKIMW-LBPRGKRZSA-N 1 2 267.373 2.279 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305179996 328395928 /nfs/dbraw/zinc/39/59/28/328395928.db2.gz WBNWLHMIZOOBBA-CMPLNLGQSA-N 1 2 289.301 2.065 20 30 CEEDLO C=CCOCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456833005 328489000 /nfs/dbraw/zinc/48/90/00/328489000.db2.gz FXEJBBVBRIALPM-UHFFFAOYSA-N 1 2 262.353 2.297 20 30 CEEDLO N#Cc1ccc(C2=CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000560412402 327306104 /nfs/dbraw/zinc/30/61/04/327306104.db2.gz PKFNCMFOHTWHQK-UHFFFAOYSA-N 1 2 292.342 2.071 20 30 CEEDLO O[C@@H](C[NH2+]Cc1c(F)cc(F)c(F)c1F)C(F)(F)F ZINC000569687501 327535416 /nfs/dbraw/zinc/53/54/16/327535416.db2.gz WMPHUBMCIFDNLR-ZETCQYMHSA-N 1 2 291.166 2.256 20 30 CEEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc(CC)s1 ZINC000289792597 327610478 /nfs/dbraw/zinc/61/04/78/327610478.db2.gz LNDIMBOWVGDZIF-UHFFFAOYSA-N 1 2 287.388 2.402 20 30 CEEDLO C=C(CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377347564 329012227 /nfs/dbraw/zinc/01/22/27/329012227.db2.gz TYRPFAIYBWIULQ-CQSZACIVSA-N 1 2 296.374 2.280 20 30 CEEDLO C=C(CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377347564 329012229 /nfs/dbraw/zinc/01/22/29/329012229.db2.gz TYRPFAIYBWIULQ-CQSZACIVSA-N 1 2 296.374 2.280 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074204 329038728 /nfs/dbraw/zinc/03/87/28/329038728.db2.gz IQIZFKYWHYIWPK-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074204 329038729 /nfs/dbraw/zinc/03/87/29/329038729.db2.gz IQIZFKYWHYIWPK-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO CCN(CCC#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000582794739 329211514 /nfs/dbraw/zinc/21/15/14/329211514.db2.gz QMSJNQGYQDLLOZ-UHFFFAOYSA-N 1 2 256.309 2.019 20 30 CEEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000181252399 329227713 /nfs/dbraw/zinc/22/77/13/329227713.db2.gz NJSBAIBYFOZRNN-UHFFFAOYSA-N 1 2 260.337 2.336 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000181252399 329227714 /nfs/dbraw/zinc/22/77/14/329227714.db2.gz NJSBAIBYFOZRNN-UHFFFAOYSA-N 1 2 260.337 2.336 20 30 CEEDLO CC#CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184262007 329258392 /nfs/dbraw/zinc/25/83/92/329258392.db2.gz HHAINBQIXOKHEL-CYBMUJFWSA-N 1 2 291.420 2.160 20 30 CEEDLO CC1CCN(c2ccc(C[NH2+]CCC#N)cn2)CC1 ZINC000583199069 329358577 /nfs/dbraw/zinc/35/85/77/329358577.db2.gz WZWDONZJBMNSBU-UHFFFAOYSA-N 1 2 258.369 2.321 20 30 CEEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000583875777 329524171 /nfs/dbraw/zinc/52/41/71/329524171.db2.gz TYEFPVFULRAWNZ-CQSZACIVSA-N 1 2 279.771 2.222 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000527234918 330239685 /nfs/dbraw/zinc/23/96/85/330239685.db2.gz QRUDVARFXAJAQI-LLVKDONJSA-N 1 2 258.300 2.261 20 30 CEEDLO N#CCCOCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451806688 331043073 /nfs/dbraw/zinc/04/30/73/331043073.db2.gz ZOCOUFVVVLDPAU-HNNXBMFYSA-N 1 2 278.327 2.129 20 30 CEEDLO N#CCCOCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451806688 331043074 /nfs/dbraw/zinc/04/30/74/331043074.db2.gz ZOCOUFVVVLDPAU-HNNXBMFYSA-N 1 2 278.327 2.129 20 30 CEEDLO C=CCC[C@@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000455443087 331170001 /nfs/dbraw/zinc/17/00/01/331170001.db2.gz PRSRARZTKJZYER-LBPRGKRZSA-N 1 2 263.341 2.147 20 30 CEEDLO C=C[C@@](C)(CCOC)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457288090 331218249 /nfs/dbraw/zinc/21/82/49/331218249.db2.gz APNVBEZSWKYVJL-AWEZNQCLSA-N 1 2 297.424 2.372 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC(C)(C)CC#N ZINC000457985247 331238770 /nfs/dbraw/zinc/23/87/70/331238770.db2.gz FSDNJMMJUWYTNT-UHFFFAOYSA-N 1 2 284.363 2.401 20 30 CEEDLO C=C(CC)CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000459083289 331269733 /nfs/dbraw/zinc/26/97/33/331269733.db2.gz GMSWORACMSIWMD-UHFFFAOYSA-N 1 2 276.384 2.327 20 30 CEEDLO C#CCN(C(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000490594466 332094019 /nfs/dbraw/zinc/09/40/19/332094019.db2.gz PBRQDCULJVZXCC-UHFFFAOYSA-N 1 2 259.353 2.068 20 30 CEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(N2CCCC2)nc1 ZINC000490916175 332128993 /nfs/dbraw/zinc/12/89/93/332128993.db2.gz RPOLPKLKYKSFKN-UHFFFAOYSA-N 1 2 267.376 2.140 20 30 CEEDLO C#CC[N@H+](CC#CC)Cc1ccc(N2CCCC2)nc1 ZINC000490916175 332128994 /nfs/dbraw/zinc/12/89/94/332128994.db2.gz RPOLPKLKYKSFKN-UHFFFAOYSA-N 1 2 267.376 2.140 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491285878 332181093 /nfs/dbraw/zinc/18/10/93/332181093.db2.gz FYQCLZFHEYLGQF-DZGCQCFKSA-N 1 2 287.363 2.046 20 30 CEEDLO C#CC[N@@H+](Cc1cnnn1CC)[C@@H]1CCc2ccccc21 ZINC000491659476 332270022 /nfs/dbraw/zinc/27/00/22/332270022.db2.gz MVUNDNSGIWVQKH-QGZVFWFLSA-N 1 2 280.375 2.421 20 30 CEEDLO C#CC[N@H+](Cc1cnnn1CC)[C@@H]1CCc2ccccc21 ZINC000491659476 332270023 /nfs/dbraw/zinc/27/00/23/332270023.db2.gz MVUNDNSGIWVQKH-QGZVFWFLSA-N 1 2 280.375 2.421 20 30 CEEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C(C)(C)C ZINC000491727886 332310907 /nfs/dbraw/zinc/31/09/07/332310907.db2.gz LYMTWQOKOTXFDI-STQMWFEESA-N 1 2 288.395 2.218 20 30 CEEDLO C#CC(C)(C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491734931 332315462 /nfs/dbraw/zinc/31/54/62/332315462.db2.gz TXRJWIDBBSRUCB-UHFFFAOYSA-N 1 2 267.332 2.073 20 30 CEEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccc(F)cc1 ZINC000491775327 332341259 /nfs/dbraw/zinc/34/12/59/332341259.db2.gz BIJYYGHGALSBDG-ZDUSSCGKSA-N 1 2 281.294 2.289 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000491776587 332342075 /nfs/dbraw/zinc/34/20/75/332342075.db2.gz YKAFXXGNNKODEW-JTQLQIEISA-N 1 2 286.291 2.098 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000491776587 332342077 /nfs/dbraw/zinc/34/20/77/332342077.db2.gz YKAFXXGNNKODEW-JTQLQIEISA-N 1 2 286.291 2.098 20 30 CEEDLO C#CC[N@@H+](Cc1cc(C(=O)OC)c(CC)o1)C1CC1 ZINC000491784706 332348009 /nfs/dbraw/zinc/34/80/09/332348009.db2.gz QCJGCGATMNZSDC-UHFFFAOYSA-N 1 2 261.321 2.226 20 30 CEEDLO C#CC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)C1CC1 ZINC000491784706 332348010 /nfs/dbraw/zinc/34/80/10/332348010.db2.gz QCJGCGATMNZSDC-UHFFFAOYSA-N 1 2 261.321 2.226 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491786918 332349680 /nfs/dbraw/zinc/34/96/80/332349680.db2.gz USBLINFLUWUIDS-VXGBXAGGSA-N 1 2 262.357 2.065 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000494722044 332484445 /nfs/dbraw/zinc/48/44/45/332484445.db2.gz OLBYBFVTTXCMMQ-OLZOCXBDSA-N 1 2 262.357 2.022 20 30 CEEDLO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1nncn1C ZINC000494783836 332485396 /nfs/dbraw/zinc/48/53/96/332485396.db2.gz TYLCNGLJOGQBJN-NSHDSACASA-N 1 2 274.755 2.171 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000192229506 333233039 /nfs/dbraw/zinc/23/30/39/333233039.db2.gz LDYHGIICFSWMIV-UHFFFAOYSA-N 1 2 282.343 2.378 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000192229506 333233040 /nfs/dbraw/zinc/23/30/40/333233040.db2.gz LDYHGIICFSWMIV-UHFFFAOYSA-N 1 2 282.343 2.378 20 30 CEEDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000195309770 333249796 /nfs/dbraw/zinc/24/97/96/333249796.db2.gz SPFPPLDTLUAERL-ZFWWWQNUSA-N 1 2 277.412 2.259 20 30 CEEDLO N#CCCOCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000338543114 335136921 /nfs/dbraw/zinc/13/69/21/335136921.db2.gz XEWKIOYXNZRCMA-UHFFFAOYSA-N 1 2 251.236 2.245 20 30 CEEDLO CCN(CC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000127926938 333638123 /nfs/dbraw/zinc/63/81/23/333638123.db2.gz IXWQUUVWVGGALC-VMPITWQZSA-N 1 2 280.331 2.258 20 30 CEEDLO Cc1cn2cc(NC(=O)NCCCCC#N)ccc2[nH+]1 ZINC000564340113 334139942 /nfs/dbraw/zinc/13/99/42/334139942.db2.gz IPTKKDLQOMWNQS-UHFFFAOYSA-N 1 2 271.324 2.458 20 30 CEEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1c(F)cncc1F ZINC000552024535 334278063 /nfs/dbraw/zinc/27/80/63/334278063.db2.gz MZBAEFSHVCXMEH-VHSXEESVSA-N 1 2 264.279 2.454 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C/C=C/c1cccc(F)c1 ZINC000565604182 334578813 /nfs/dbraw/zinc/57/88/13/334578813.db2.gz PMVIRHJXRYBIHM-YERXGYGTSA-N 1 2 289.354 2.189 20 30 CEEDLO N#CCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000568177337 334800557 /nfs/dbraw/zinc/80/05/57/334800557.db2.gz SHZGKYKEFONKRG-UHFFFAOYSA-N 1 2 265.744 2.492 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CCCC2 ZINC000579249490 335727723 /nfs/dbraw/zinc/72/77/23/335727723.db2.gz RPHCWDPGEKFEEY-HNNXBMFYSA-N 1 2 291.420 2.201 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000183837754 335909537 /nfs/dbraw/zinc/90/95/37/335909537.db2.gz FHEMDQPBUHCNDL-SECBINFHSA-N 1 2 262.744 2.476 20 30 CEEDLO CC1CC(C#N)(C(=O)Nc2nc(C[NH+](C)C)cs2)C1 ZINC000581294624 336038943 /nfs/dbraw/zinc/03/89/43/336038943.db2.gz CQVZFIOCOZMPCT-UHFFFAOYSA-N 1 2 278.381 2.083 20 30 CEEDLO C/C=C\c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000581999060 336187917 /nfs/dbraw/zinc/18/79/17/336187917.db2.gz OLQQVXBVTAHEAS-IMMZDGJCSA-N 1 2 273.380 2.338 20 30 CEEDLO C/C=C\c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000581999060 336187919 /nfs/dbraw/zinc/18/79/19/336187919.db2.gz OLQQVXBVTAHEAS-IMMZDGJCSA-N 1 2 273.380 2.338 20 30 CEEDLO Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425250016 500951648 /nfs/dbraw/zinc/95/16/48/500951648.db2.gz VEKDZZZKUTVNLF-STQMWFEESA-N 1 2 259.353 2.301 20 30 CEEDLO Cc1ccc(-n2c[nH+]c3c2CCN(CC#N)C3)cc1 ZINC000336486044 534241925 /nfs/dbraw/zinc/24/19/25/534241925.db2.gz YJSVOWYEYMJITJ-UHFFFAOYSA-N 1 2 252.321 2.062 20 30 CEEDLO C#CC[NH+](CC#C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187104095 518256398 /nfs/dbraw/zinc/25/63/98/518256398.db2.gz MIIXUHPMELVMFW-CQSZACIVSA-N 1 2 265.715 2.081 20 30 CEEDLO O=C(NC1(CCO)CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329256424 534355302 /nfs/dbraw/zinc/35/53/02/534355302.db2.gz CTJMOJWDZZRFEF-GFCCVEGCSA-N 1 2 277.368 2.097 20 30 CEEDLO CC(C)(C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000055408972 518507264 /nfs/dbraw/zinc/50/72/64/518507264.db2.gz NHIGPFWYXRTVET-UHFFFAOYSA-N 1 2 254.293 2.361 20 30 CEEDLO C[C@@H](C#N)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049424732 526236782 /nfs/dbraw/zinc/23/67/82/526236782.db2.gz DLHNWDBCUXRRDK-LBPRGKRZSA-N 1 2 268.320 2.104 20 30 CEEDLO CC1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330187640 527901821 /nfs/dbraw/zinc/90/18/21/527901821.db2.gz KOCXQEFUDIVVSH-LBPRGKRZSA-N 1 2 276.384 2.282 20 30 CEEDLO CC1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330187640 527901826 /nfs/dbraw/zinc/90/18/26/527901826.db2.gz KOCXQEFUDIVVSH-LBPRGKRZSA-N 1 2 276.384 2.282 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290113 527928008 /nfs/dbraw/zinc/92/80/08/527928008.db2.gz NUAJIZWCRUZNRB-CJNGLKHVSA-N 1 2 289.379 2.471 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290113 527928011 /nfs/dbraw/zinc/92/80/11/527928011.db2.gz NUAJIZWCRUZNRB-CJNGLKHVSA-N 1 2 289.379 2.471 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000366993098 529348568 /nfs/dbraw/zinc/34/85/68/529348568.db2.gz ARSBZLKBYCQBNQ-MRXNPFEDSA-N 1 2 286.379 2.106 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC)c1 ZINC000730279570 574513330 /nfs/dbraw/zinc/51/33/30/574513330.db2.gz FDYYBMOSHPBADV-HNNXBMFYSA-N 1 2 272.348 2.121 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC)c1 ZINC000730279570 574513331 /nfs/dbraw/zinc/51/33/31/574513331.db2.gz FDYYBMOSHPBADV-HNNXBMFYSA-N 1 2 272.348 2.121 20 30 CEEDLO C#CCOc1ccccc1CNc1cc(C)[nH+]cn1 ZINC000734145673 574701147 /nfs/dbraw/zinc/70/11/47/574701147.db2.gz ZIKXYHDWIJJVST-UHFFFAOYSA-N 1 2 253.305 2.409 20 30 CEEDLO Cc1ccc2nc(C[N@@H+](CCC#N)CC(C)C)cc(=O)n2c1 ZINC000755669091 574746384 /nfs/dbraw/zinc/74/63/84/574746384.db2.gz HANKDGCSMRUXPD-UHFFFAOYSA-N 1 2 298.390 2.375 20 30 CEEDLO Cc1ccc2nc(C[N@H+](CCC#N)CC(C)C)cc(=O)n2c1 ZINC000755669091 574746385 /nfs/dbraw/zinc/74/63/85/574746385.db2.gz HANKDGCSMRUXPD-UHFFFAOYSA-N 1 2 298.390 2.375 20 30 CEEDLO C=CCCO[C@H](C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755907568 574785755 /nfs/dbraw/zinc/78/57/55/574785755.db2.gz VQGVWBLRQJEJLL-GFCCVEGCSA-N 1 2 278.352 2.172 20 30 CEEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000742381758 575018573 /nfs/dbraw/zinc/01/85/73/575018573.db2.gz HVTQWZRKAPJALO-UHFFFAOYSA-N 1 2 260.268 2.072 20 30 CEEDLO Cc1ncc(CO)c(/C=[NH+]/CC(C2CC2)C2CC2)c1O ZINC000743043809 575042032 /nfs/dbraw/zinc/04/20/32/575042032.db2.gz AQLOWRPVBDBELB-CAOOACKPSA-N 1 2 274.364 2.443 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CCCC)cc2)CC1 ZINC000744422970 575120918 /nfs/dbraw/zinc/12/09/18/575120918.db2.gz MRSHVXPUKZJXOK-UHFFFAOYSA-N 1 2 284.403 2.420 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)C2(c3cccc(C)c3)CCC2)CC1 ZINC000744425387 575120957 /nfs/dbraw/zinc/12/09/57/575120957.db2.gz LGOYAMKQQVSGKI-UHFFFAOYSA-N 1 2 296.414 2.194 20 30 CEEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc(Cl)c1C ZINC000747632994 575172789 /nfs/dbraw/zinc/17/27/89/575172789.db2.gz JWNKQHQPHNUPGI-UHFFFAOYSA-N 1 2 291.742 2.475 20 30 CEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000748779706 575195607 /nfs/dbraw/zinc/19/56/07/575195607.db2.gz AWKREDVYXHWLIP-GHMZBOCLSA-N 1 2 295.358 2.156 20 30 CEEDLO N#CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000750499275 575266332 /nfs/dbraw/zinc/26/63/32/575266332.db2.gz SBJSTBDHJGUBDJ-CQSZACIVSA-N 1 2 276.311 2.247 20 30 CEEDLO N#CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750499275 575266333 /nfs/dbraw/zinc/26/63/33/575266333.db2.gz SBJSTBDHJGUBDJ-CQSZACIVSA-N 1 2 276.311 2.247 20 30 CEEDLO N#Cc1ccc(OCCC[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750720246 575272862 /nfs/dbraw/zinc/27/28/62/575272862.db2.gz DXSWXXPXBRBBGX-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO N#Cc1ccc(OCCC[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750720246 575272863 /nfs/dbraw/zinc/27/28/63/575272863.db2.gz DXSWXXPXBRBBGX-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO N#Cc1ccc(OCCC[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750720246 575272864 /nfs/dbraw/zinc/27/28/64/575272864.db2.gz DXSWXXPXBRBBGX-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO N#Cc1ccc(OCCC[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750720246 575272865 /nfs/dbraw/zinc/27/28/65/575272865.db2.gz DXSWXXPXBRBBGX-UHFFFAOYSA-N 1 2 282.347 2.109 20 30 CEEDLO CCC1N=NC(=S)N1[NH+]=Cc1ccc2c(c1)CCN2C ZINC000752719189 575313721 /nfs/dbraw/zinc/31/37/21/575313721.db2.gz RCVXOEHOPXSTNH-UHFFFAOYSA-N 1 2 287.392 2.004 20 30 CEEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccnc(N(C)C)n1 ZINC000752734268 575313960 /nfs/dbraw/zinc/31/39/60/575313960.db2.gz OGUVCPYNTCIUHA-UHFFFAOYSA-N 1 2 284.367 2.188 20 30 CEEDLO C[C@@]1(C#N)CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000753165154 575321220 /nfs/dbraw/zinc/32/12/20/575321220.db2.gz XOQYAWBYCIYAFW-INIZCTEOSA-N 1 2 295.346 2.033 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796334474 629853200 /nfs/dbraw/zinc/85/32/00/629853200.db2.gz XLBWDEFVSPOUAU-BDAKNGLRSA-N 1 2 257.683 2.232 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796334474 629853219 /nfs/dbraw/zinc/85/32/19/629853219.db2.gz XLBWDEFVSPOUAU-BDAKNGLRSA-N 1 2 257.683 2.232 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC000957446654 612992660 /nfs/dbraw/zinc/99/26/60/612992660.db2.gz FIGZAIQRHFIKLV-UHFFFAOYSA-N 1 2 296.414 2.345 20 30 CEEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC000949696882 613246252 /nfs/dbraw/zinc/24/62/52/613246252.db2.gz WFBYHBHCAGUAGU-UHFFFAOYSA-N 1 2 290.411 2.085 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC000957059244 613295172 /nfs/dbraw/zinc/29/51/72/613295172.db2.gz PMAPRDYUYVVIBF-HUUCEWRRSA-N 1 2 264.413 2.387 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC000949661948 613295895 /nfs/dbraw/zinc/29/58/95/613295895.db2.gz KRDHGIJUZFJEGS-UHFFFAOYSA-N 1 2 281.787 2.391 20 30 CEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)C(C)(C)C1 ZINC000977587387 613299917 /nfs/dbraw/zinc/29/99/17/613299917.db2.gz PGZXPWOOUDZMSF-NSHDSACASA-N 1 2 296.823 2.475 20 30 CEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)C(C)(C)C1 ZINC000977587387 613299919 /nfs/dbraw/zinc/29/99/19/613299919.db2.gz PGZXPWOOUDZMSF-NSHDSACASA-N 1 2 296.823 2.475 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000949243113 613320195 /nfs/dbraw/zinc/32/01/95/613320195.db2.gz DSUDQWGIXSZJRU-UHFFFAOYSA-N 1 2 291.395 2.306 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3c(o2)CCCC3)CC1 ZINC000948708850 613320624 /nfs/dbraw/zinc/32/06/24/613320624.db2.gz FSDISZSYZRCBAE-UHFFFAOYSA-N 1 2 288.391 2.492 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2oc(C(C)C)nc2C)CC1 ZINC000951571727 613322075 /nfs/dbraw/zinc/32/20/75/613322075.db2.gz OTNMIYAIPHWBEP-UHFFFAOYSA-N 1 2 291.395 2.440 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C)o2)C1 ZINC000969253775 613371762 /nfs/dbraw/zinc/37/17/62/613371762.db2.gz KYSJIBOCRZXUEJ-LLVKDONJSA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(C)s2)C1 ZINC000969383627 613371999 /nfs/dbraw/zinc/37/19/99/613371999.db2.gz CLJFUSFTHYICCV-SECBINFHSA-N 1 2 299.827 2.254 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc(C)oc2C)C1 ZINC000970624406 613372556 /nfs/dbraw/zinc/37/25/56/613372556.db2.gz BSOUROZXWCKTJR-VIFPVBQESA-N 1 2 297.786 2.094 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccon1 ZINC000968760735 613372893 /nfs/dbraw/zinc/37/28/93/613372893.db2.gz FJWUVWICMYODJK-GFCCVEGCSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccon1 ZINC000968760735 613372894 /nfs/dbraw/zinc/37/28/94/613372894.db2.gz FJWUVWICMYODJK-GFCCVEGCSA-N 1 2 297.786 2.402 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC000966261413 613375893 /nfs/dbraw/zinc/37/58/93/613375893.db2.gz HHXFHXFPVFXBMC-ZYHUDNBSSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC000966261413 613375894 /nfs/dbraw/zinc/37/58/94/613375894.db2.gz HHXFHXFPVFXBMC-ZYHUDNBSSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC2)C1 ZINC000964627759 613377861 /nfs/dbraw/zinc/37/78/61/613377861.db2.gz GZOVEABRQPYSPU-GXFFZTMASA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC2)C1 ZINC000964627759 613377862 /nfs/dbraw/zinc/37/78/62/613377862.db2.gz GZOVEABRQPYSPU-GXFFZTMASA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CC2)C(C)(C)C1 ZINC000974632738 613380869 /nfs/dbraw/zinc/38/08/69/613380869.db2.gz STSVEBOOXBISLB-NSHDSACASA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CC2)C(C)(C)C1 ZINC000974632738 613380870 /nfs/dbraw/zinc/38/08/70/613380870.db2.gz STSVEBOOXBISLB-NSHDSACASA-N 1 2 270.804 2.366 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000949453588 613563235 /nfs/dbraw/zinc/56/32/35/613563235.db2.gz XTASETBGDXBXPT-UHFFFAOYSA-N 1 2 296.414 2.274 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc(N(C)C)c2)C1 ZINC000957321847 613657807 /nfs/dbraw/zinc/65/78/07/613657807.db2.gz BVYLYBSKVBYXPB-UHFFFAOYSA-N 1 2 287.407 2.085 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2F)CC1 ZINC000950711305 613709490 /nfs/dbraw/zinc/70/94/90/613709490.db2.gz UGHAYPCHVDODGN-UHFFFAOYSA-N 1 2 296.773 2.352 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000957739740 613711760 /nfs/dbraw/zinc/71/17/60/613711760.db2.gz KQUDBYWRUPXUMC-INIZCTEOSA-N 1 2 262.397 2.453 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000956973113 613711884 /nfs/dbraw/zinc/71/18/84/613711884.db2.gz BBVBEOVQKKQRFY-GOEBONIOSA-N 1 2 264.413 2.389 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000957525238 613715640 /nfs/dbraw/zinc/71/56/40/613715640.db2.gz LXZHGWXKWUYEBC-UHFFFAOYSA-N 1 2 258.365 2.247 20 30 CEEDLO Cn1ncc2c1CC/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000255662238 625361763 /nfs/dbraw/zinc/36/17/63/625361763.db2.gz JYYXBHCRGQJACE-LUAWRHEFSA-N 1 2 278.315 2.280 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)on1 ZINC001024308822 625511479 /nfs/dbraw/zinc/51/14/79/625511479.db2.gz PCHKCJCEZQBVDU-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)on1 ZINC001024308822 625511485 /nfs/dbraw/zinc/51/14/85/625511485.db2.gz PCHKCJCEZQBVDU-LBPRGKRZSA-N 1 2 297.786 2.320 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001024362460 625523272 /nfs/dbraw/zinc/52/32/72/625523272.db2.gz LANURHVEKQJQLB-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001024362460 625523281 /nfs/dbraw/zinc/52/32/81/625523281.db2.gz LANURHVEKQJQLB-GFCCVEGCSA-N 1 2 296.802 2.055 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000890655631 622757115 /nfs/dbraw/zinc/75/71/15/622757115.db2.gz PECUUVBBRVMQMH-CYBMUJFWSA-N 1 2 295.342 2.206 20 30 CEEDLO C=C(C[NH+](C)C)C(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000926023035 622992409 /nfs/dbraw/zinc/99/24/09/622992409.db2.gz ZZUFRKQMODCQPD-GOSISDBHSA-N 1 2 272.414 2.061 20 30 CEEDLO C=CCCCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000890810873 622996610 /nfs/dbraw/zinc/99/66/10/622996610.db2.gz IFHOMDAFNWJGCK-ZDUSSCGKSA-N 1 2 261.369 2.260 20 30 CEEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](COCC)C2)c1=S ZINC000177632552 623129682 /nfs/dbraw/zinc/12/96/82/623129682.db2.gz ZNSKYNIIXIAROQ-CYBMUJFWSA-N 1 2 296.440 2.224 20 30 CEEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](COCC)C2)c1=S ZINC000177632552 623129689 /nfs/dbraw/zinc/12/96/89/623129689.db2.gz ZNSKYNIIXIAROQ-CYBMUJFWSA-N 1 2 296.440 2.224 20 30 CEEDLO C=C(Br)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C ZINC000933172642 623526433 /nfs/dbraw/zinc/52/64/33/623526433.db2.gz NMRPDINQLSLKPA-NXEZZACHSA-N 1 2 276.174 2.169 20 30 CEEDLO C=C(Br)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C ZINC000933172642 623526435 /nfs/dbraw/zinc/52/64/35/623526435.db2.gz NMRPDINQLSLKPA-NXEZZACHSA-N 1 2 276.174 2.169 20 30 CEEDLO C(#Cc1ccccc1)C[NH2+]C1(c2ncccn2)CCOCC1 ZINC000933339716 623661127 /nfs/dbraw/zinc/66/11/27/623661127.db2.gz KFLAHXYGDUTPGR-UHFFFAOYSA-N 1 2 293.370 2.124 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCCOC(C)(C)C)cc1OC ZINC000065233678 624225375 /nfs/dbraw/zinc/22/53/75/624225375.db2.gz MFGZLLMBQMFFOJ-UHFFFAOYSA-N 1 2 296.367 2.156 20 30 CEEDLO C[C@@H]1CSCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000934302831 624399783 /nfs/dbraw/zinc/39/97/83/624399783.db2.gz YEGVTGSPOYUYNK-SNVBAGLBSA-N 1 2 295.433 2.386 20 30 CEEDLO C[C@@H]1CSCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000934302831 624399784 /nfs/dbraw/zinc/39/97/84/624399784.db2.gz YEGVTGSPOYUYNK-SNVBAGLBSA-N 1 2 295.433 2.386 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000934458948 624507849 /nfs/dbraw/zinc/50/78/49/624507849.db2.gz ACLGFAYOHCWPMQ-HNNXBMFYSA-N 1 2 272.348 2.478 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cccc(C(C)=O)c1 ZINC000934458948 624507851 /nfs/dbraw/zinc/50/78/51/624507851.db2.gz ACLGFAYOHCWPMQ-HNNXBMFYSA-N 1 2 272.348 2.478 20 30 CEEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000934459967 624509026 /nfs/dbraw/zinc/50/90/26/624509026.db2.gz GCXSJDNYTPGDIB-HNNXBMFYSA-N 1 2 272.348 2.478 20 30 CEEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000934459967 624509032 /nfs/dbraw/zinc/50/90/32/624509032.db2.gz GCXSJDNYTPGDIB-HNNXBMFYSA-N 1 2 272.348 2.478 20 30 CEEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000934471933 624519480 /nfs/dbraw/zinc/51/94/80/624519480.db2.gz WTZHJMLRCIHFGF-CHWSQXEVSA-N 1 2 269.352 2.374 20 30 CEEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000934471933 624519482 /nfs/dbraw/zinc/51/94/82/624519482.db2.gz WTZHJMLRCIHFGF-CHWSQXEVSA-N 1 2 269.352 2.374 20 30 CEEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000052162591 624809243 /nfs/dbraw/zinc/80/92/43/624809243.db2.gz ULSGKWWOJGXWLE-LLVKDONJSA-N 1 2 264.756 2.082 20 30 CEEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000052162591 624809249 /nfs/dbraw/zinc/80/92/49/624809249.db2.gz ULSGKWWOJGXWLE-LLVKDONJSA-N 1 2 264.756 2.082 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902047982 634438224 /nfs/dbraw/zinc/43/82/24/634438224.db2.gz AUORREGDZJFPHS-GJZGRUSLSA-N 1 2 256.349 2.110 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902047982 634438226 /nfs/dbraw/zinc/43/82/26/634438226.db2.gz AUORREGDZJFPHS-GJZGRUSLSA-N 1 2 256.349 2.110 20 30 CEEDLO CCSCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000155077722 625791971 /nfs/dbraw/zinc/79/19/71/625791971.db2.gz DPRMHYIKNVVUAH-UHFFFAOYSA-N 1 2 284.381 2.094 20 30 CEEDLO CCc1nc(C)c(CO[NH+]=C(N)c2ccc(OC)cc2)o1 ZINC000820705375 634508009 /nfs/dbraw/zinc/50/80/09/634508009.db2.gz BLDRJSWWGCEOFJ-UHFFFAOYSA-N 1 2 289.335 2.391 20 30 CEEDLO Cc1cc(C(N)=[NH+]OC[C@H]2C[C@@]23CCOC3)ccc1F ZINC000902222967 634531837 /nfs/dbraw/zinc/53/18/37/634531837.db2.gz QBBSDHAIFFTMKV-IUODEOHRSA-N 1 2 278.327 2.198 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001006538179 627367883 /nfs/dbraw/zinc/36/78/83/627367883.db2.gz XIAGTVIYZXWSFX-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001006538179 627367885 /nfs/dbraw/zinc/36/78/85/627367885.db2.gz XIAGTVIYZXWSFX-LBPRGKRZSA-N 1 2 256.777 2.120 20 30 CEEDLO N#CCOc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821032211 634609094 /nfs/dbraw/zinc/60/90/94/634609094.db2.gz RENBQTQXHFILOO-XFSBKJJWSA-N 1 2 279.299 2.462 20 30 CEEDLO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc(C#N)c1O ZINC000925691441 628506026 /nfs/dbraw/zinc/50/60/26/628506026.db2.gz NDXILBJXQDITQE-ZDUSSCGKSA-N 1 2 289.379 2.077 20 30 CEEDLO COC[C@@H](C)NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000777893905 628638238 /nfs/dbraw/zinc/63/82/38/628638238.db2.gz DDHBVIUQMVIIDE-GFCCVEGCSA-N 1 2 272.352 2.221 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1ncc(Br)cc1O ZINC000893607592 628786820 /nfs/dbraw/zinc/78/68/20/628786820.db2.gz YJNYQXADGNIFSQ-SECBINFHSA-N 1 2 284.157 2.332 20 30 CEEDLO C[C@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980657295 628796283 /nfs/dbraw/zinc/79/62/83/628796283.db2.gz QLTAWPUMTJGCDK-WMLDXEAASA-N 1 2 297.402 2.249 20 30 CEEDLO C[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980657295 628796285 /nfs/dbraw/zinc/79/62/85/628796285.db2.gz QLTAWPUMTJGCDK-WMLDXEAASA-N 1 2 297.402 2.249 20 30 CEEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)cn2)sc1C ZINC000893869230 629031926 /nfs/dbraw/zinc/03/19/26/629031926.db2.gz UXMZBTNMZTVQSN-UHFFFAOYSA-N 1 2 258.350 2.316 20 30 CEEDLO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cn2)o1 ZINC000893869424 629032069 /nfs/dbraw/zinc/03/20/69/629032069.db2.gz ZPQZNWGFFIDAJL-UHFFFAOYSA-N 1 2 257.293 2.235 20 30 CEEDLO C#CCSCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000893990171 629079513 /nfs/dbraw/zinc/07/95/13/629079513.db2.gz CYAXLVJJSFKKNV-OAHLLOKOSA-N 1 2 299.399 2.107 20 30 CEEDLO N#CC1CC[NH+](Cn2nccc2-c2ccncc2)CC1 ZINC000067094691 629125580 /nfs/dbraw/zinc/12/55/80/629125580.db2.gz YWXJQTXORAFLLO-UHFFFAOYSA-N 1 2 267.336 2.138 20 30 CEEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCCOC1 ZINC000877515761 629176706 /nfs/dbraw/zinc/17/67/06/629176706.db2.gz OLINBLJFYCOADP-GFCCVEGCSA-N 1 2 265.744 2.217 20 30 CEEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCCOC1 ZINC000877515761 629176711 /nfs/dbraw/zinc/17/67/11/629176711.db2.gz OLINBLJFYCOADP-GFCCVEGCSA-N 1 2 265.744 2.217 20 30 CEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000895077663 629861205 /nfs/dbraw/zinc/86/12/05/629861205.db2.gz GTNXVMDQRBUCHP-LLVKDONJSA-N 1 2 278.377 2.165 20 30 CEEDLO C#CC[C@@H]1CCC[N@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000895077663 629861210 /nfs/dbraw/zinc/86/12/10/629861210.db2.gz GTNXVMDQRBUCHP-LLVKDONJSA-N 1 2 278.377 2.165 20 30 CEEDLO C#CC[N@@H+](CC(=O)NCCCCC)Cc1ccccc1 ZINC000796630989 629948764 /nfs/dbraw/zinc/94/87/64/629948764.db2.gz BURGHNGXCZIFAY-UHFFFAOYSA-N 1 2 272.392 2.428 20 30 CEEDLO C#CC[N@H+](CC(=O)NCCCCC)Cc1ccccc1 ZINC000796630989 629948768 /nfs/dbraw/zinc/94/87/68/629948768.db2.gz BURGHNGXCZIFAY-UHFFFAOYSA-N 1 2 272.392 2.428 20 30 CEEDLO CCc1onc(C)c1CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000902697687 634778417 /nfs/dbraw/zinc/77/84/17/634778417.db2.gz GVUZHNMDBGCQNP-UHFFFAOYSA-N 1 2 289.335 2.391 20 30 CEEDLO C#C[C@@H]1CCCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000895412459 630173599 /nfs/dbraw/zinc/17/35/99/630173599.db2.gz WFKRLZYUQQPBGM-OAHLLOKOSA-N 1 2 271.364 2.396 20 30 CEEDLO C#Cc1cccnc1NCc1nc(C[NH+](C)C)cs1 ZINC000895480544 630215069 /nfs/dbraw/zinc/21/50/69/630215069.db2.gz IICGTJKGKUULHJ-UHFFFAOYSA-N 1 2 272.377 2.193 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OCC ZINC000895592484 630268884 /nfs/dbraw/zinc/26/88/84/630268884.db2.gz QPIGGITZKSBCOM-RWMBFGLXSA-N 1 2 255.358 2.041 20 30 CEEDLO C#CCCOc1ccc(C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000895757035 630333224 /nfs/dbraw/zinc/33/32/24/630333224.db2.gz NTDIYHXFAOBOKK-UHFFFAOYSA-N 1 2 296.374 2.086 20 30 CEEDLO C#CCCOc1ccc(C[N@H+]2CCCn3nncc3C2)cc1 ZINC000895757035 630333229 /nfs/dbraw/zinc/33/32/29/630333229.db2.gz NTDIYHXFAOBOKK-UHFFFAOYSA-N 1 2 296.374 2.086 20 30 CEEDLO C[N@@H+]1CC[C@H]1CNc1c(Br)cccc1C#N ZINC000895767615 630336881 /nfs/dbraw/zinc/33/68/81/630336881.db2.gz OPEGCXQFWZJRQU-JTQLQIEISA-N 1 2 280.169 2.437 20 30 CEEDLO C[N@H+]1CC[C@H]1CNc1c(Br)cccc1C#N ZINC000895767615 630336884 /nfs/dbraw/zinc/33/68/84/630336884.db2.gz OPEGCXQFWZJRQU-JTQLQIEISA-N 1 2 280.169 2.437 20 30 CEEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cccc(F)c1C#N ZINC000895804653 630355471 /nfs/dbraw/zinc/35/54/71/630355471.db2.gz UBALLYKBJXADRM-GFCCVEGCSA-N 1 2 277.343 2.220 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)C1CSC1 ZINC000895813781 630358820 /nfs/dbraw/zinc/35/88/20/630358820.db2.gz HJHHDHWBLDDYKZ-VOTSOKGWSA-N 1 2 291.372 2.016 20 30 CEEDLO C#CC[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)C1CSC1 ZINC000895813781 630358825 /nfs/dbraw/zinc/35/88/25/630358825.db2.gz HJHHDHWBLDDYKZ-VOTSOKGWSA-N 1 2 291.372 2.016 20 30 CEEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)cc1)C2 ZINC000896659930 630623377 /nfs/dbraw/zinc/62/33/77/630623377.db2.gz OTQCZEISNCWYCZ-UHFFFAOYSA-N 1 2 252.321 2.337 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001007012013 630774021 /nfs/dbraw/zinc/77/40/21/630774021.db2.gz HKCZJMXCSXZDFL-LLVKDONJSA-N 1 2 292.757 2.365 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001007012013 630774024 /nfs/dbraw/zinc/77/40/24/630774024.db2.gz HKCZJMXCSXZDFL-LLVKDONJSA-N 1 2 292.757 2.365 20 30 CEEDLO N#Cc1csc(CNc2cc(N3CCCC3)nc[nH+]2)n1 ZINC000896930010 630821034 /nfs/dbraw/zinc/82/10/34/630821034.db2.gz JGVFXWWTMIHLDI-UHFFFAOYSA-N 1 2 286.364 2.017 20 30 CEEDLO N#Cc1csc(CNc2cc(N3CCCC3)[nH+]cn2)n1 ZINC000896930010 630821037 /nfs/dbraw/zinc/82/10/37/630821037.db2.gz JGVFXWWTMIHLDI-UHFFFAOYSA-N 1 2 286.364 2.017 20 30 CEEDLO CC(C)[C@H](C(=O)[C@H](C#N)c1cnc2ccccc2n1)[NH+](C)C ZINC000798860886 630942061 /nfs/dbraw/zinc/94/20/61/630942061.db2.gz FUOWJXPMAYSQLQ-MLGOLLRUSA-N 1 2 296.374 2.392 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)cc1C ZINC000798920136 630952686 /nfs/dbraw/zinc/95/26/86/630952686.db2.gz XKGUAGHKJPMGHF-INIZCTEOSA-N 1 2 286.375 2.430 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)cc1C ZINC000798920136 630952689 /nfs/dbraw/zinc/95/26/89/630952689.db2.gz XKGUAGHKJPMGHF-INIZCTEOSA-N 1 2 286.375 2.430 20 30 CEEDLO COC(=O)/C(C)=C/C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000800409939 631120610 /nfs/dbraw/zinc/12/06/10/631120610.db2.gz SABWCWWTNIGPET-MKMNVTDBSA-N 1 2 299.374 2.058 20 30 CEEDLO CCc1onc(C)c1C[NH2+]Cc1cccc(C#N)n1 ZINC000897336539 631138033 /nfs/dbraw/zinc/13/80/33/631138033.db2.gz HTQCDYUMMJDBTG-UHFFFAOYSA-N 1 2 256.309 2.102 20 30 CEEDLO Cc1[nH+]c(C(C)N=Nc2ncncc2Cl)cn1C ZINC000800816585 631147191 /nfs/dbraw/zinc/14/71/91/631147191.db2.gz OBZIFQZNSWCYLF-UHFFFAOYSA-N 1 2 264.720 2.008 20 30 CEEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000800868502 631150051 /nfs/dbraw/zinc/15/00/51/631150051.db2.gz ZXHUABPEXDWIFC-UHFFFAOYSA-N 1 2 291.330 2.009 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(CO)on1 ZINC000925185795 631158113 /nfs/dbraw/zinc/15/81/13/631158113.db2.gz PBHCNZCACIRTSZ-QWRGUYRKSA-N 1 2 271.320 2.450 20 30 CEEDLO C=CCC1(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)CCC1 ZINC000802240872 631411603 /nfs/dbraw/zinc/41/16/03/631411603.db2.gz FXAMEZUJUAXPDE-GFCCVEGCSA-N 1 2 255.333 2.320 20 30 CEEDLO C=CCC1(C(=O)O[C@@H]2CC[N@H+](CCF)C2)CCC1 ZINC000802240872 631411607 /nfs/dbraw/zinc/41/16/07/631411607.db2.gz FXAMEZUJUAXPDE-GFCCVEGCSA-N 1 2 255.333 2.320 20 30 CEEDLO C[C@H](CC#N)N[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863103550 631465160 /nfs/dbraw/zinc/46/51/60/631465160.db2.gz CMCCUPVJWOGYGB-SECBINFHSA-N 1 2 266.295 2.256 20 30 CEEDLO C(=NN[C@H]1CCSC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000808002675 631490766 /nfs/dbraw/zinc/49/07/66/631490766.db2.gz NUQZBJJHVLVDLG-JTQLQIEISA-N 1 2 278.406 2.363 20 30 CEEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000840043208 631668448 /nfs/dbraw/zinc/66/84/48/631668448.db2.gz RPPPJYNNHKPCQR-HUUCEWRRSA-N 1 2 287.407 2.217 20 30 CEEDLO C=CCCCCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000806665914 631763960 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C[C@@H]1C[NH+]=C(NN=Cc2ccc(-c3ccccc3F)o2)N1 ZINC000779797780 647355492 /nfs/dbraw/zinc/35/54/92/647355492.db2.gz JTAASGISZAFORW-SNVBAGLBSA-N 1 2 286.310 2.357 20 30 CEEDLO Fc1cc(NN=Cc2cccc3[nH+]ccn32)ccn1 ZINC000781134251 647502028 /nfs/dbraw/zinc/50/20/28/647502028.db2.gz YFJLZPBSZRNJRZ-UHFFFAOYSA-N 1 2 255.256 2.314 20 30 CEEDLO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866241292 647688750 /nfs/dbraw/zinc/68/87/50/647688750.db2.gz APCJNHIUPIEOCJ-WCQYABFASA-N 1 2 260.337 2.484 20 30 CEEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)N(C)C1CC1 ZINC000866259875 647700130 /nfs/dbraw/zinc/70/01/30/647700130.db2.gz HIWSDZRIGHSZPZ-NEPJUHHUSA-N 1 2 273.380 2.397 20 30 CEEDLO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866274806 647712103 /nfs/dbraw/zinc/71/21/03/647712103.db2.gz UCDFCCXXRKIDFM-QWHCGFSZSA-N 1 2 273.380 2.399 20 30 CEEDLO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866280694 647715611 /nfs/dbraw/zinc/71/56/11/647715611.db2.gz YDBDQAXCTQBJKQ-DYEKYZERSA-N 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/nfs/dbraw/zinc/75/98/03/647759803.db2.gz WHKSTWVWCNCESQ-LERXQTSPSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc(C#N)c1O ZINC000866371353 647761414 /nfs/dbraw/zinc/76/14/14/647761414.db2.gz KCNCXMFFNABEGW-MFKMUULPSA-N 1 2 260.337 2.339 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C1(CO)CC1 ZINC000866388591 647769437 /nfs/dbraw/zinc/76/94/37/647769437.db2.gz LBPWOAGYQLBKOG-WDEREUQCSA-N 1 2 260.337 2.075 20 30 CEEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1=S ZINC000784011811 647786602 /nfs/dbraw/zinc/78/66/02/647786602.db2.gz YRWQFTTVUGICRV-NSHDSACASA-N 1 2 281.429 2.321 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1=S ZINC000784011811 647786604 /nfs/dbraw/zinc/78/66/04/647786604.db2.gz YRWQFTTVUGICRV-NSHDSACASA-N 1 2 281.429 2.321 20 30 CEEDLO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(C#N)c1O ZINC000866447610 647791677 /nfs/dbraw/zinc/79/16/77/647791677.db2.gz LHXANZWODDSYGX-PUHVVEEASA-N 1 2 260.337 2.480 20 30 CEEDLO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866634528 647849508 /nfs/dbraw/zinc/84/95/08/647849508.db2.gz RZLXHOIFFKFKAH-NTZNESFSSA-N 1 2 262.353 2.464 20 30 CEEDLO C#CCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCCC1 ZINC000788511600 647886809 /nfs/dbraw/zinc/88/68/09/647886809.db2.gz BMVKSZGWLTVLSU-UHFFFAOYSA-N 1 2 271.364 2.240 20 30 CEEDLO C=CCCN(C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000786115731 647986569 /nfs/dbraw/zinc/98/65/69/647986569.db2.gz APFPMYRVWGTQFQ-UHFFFAOYSA-N 1 2 277.368 2.425 20 30 CEEDLO COC(C)(C)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000786739269 648040335 /nfs/dbraw/zinc/04/03/35/648040335.db2.gz RQVHXNMJHZWBRQ-UHFFFAOYSA-N 1 2 254.305 2.278 20 30 CEEDLO C#CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000786843269 648050108 /nfs/dbraw/zinc/05/01/08/648050108.db2.gz HRCXJRNUAGWIJT-AWEZNQCLSA-N 1 2 285.391 2.240 20 30 CEEDLO C#CCC1(C(=O)O[C@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC000788217189 648163606 /nfs/dbraw/zinc/16/36/06/648163606.db2.gz AZTPCFZWPPRGLD-OAHLLOKOSA-N 1 2 293.407 2.224 20 30 CEEDLO C=CCOc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793250679 648730938 /nfs/dbraw/zinc/73/09/38/648730938.db2.gz JSZQSGIYLGBYAJ-UHFFFAOYSA-N 1 2 286.331 2.384 20 30 CEEDLO CC(=O)OC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000794435227 648867056 /nfs/dbraw/zinc/86/70/56/648867056.db2.gz RNECOBPFRGHEJL-UHFFFAOYSA-N 1 2 276.311 2.225 20 30 CEEDLO CC[N@H+](CC1CCC1)Cn1nc(CC#N)n(C)c1=S ZINC000794687990 648904058 /nfs/dbraw/zinc/90/40/58/648904058.db2.gz LAIGNFSDLIPSST-UHFFFAOYSA-N 1 2 279.413 2.097 20 30 CEEDLO CC[N@@H+](CC1CCC1)Cn1nc(CC#N)n(C)c1=S ZINC000794687990 648904061 /nfs/dbraw/zinc/90/40/61/648904061.db2.gz LAIGNFSDLIPSST-UHFFFAOYSA-N 1 2 279.413 2.097 20 30 CEEDLO CCC(C)(C)OC1C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000871984685 649236738 /nfs/dbraw/zinc/23/67/38/649236738.db2.gz ZQVGAVPAORTWPC-MRXNPFEDSA-N 1 2 288.391 2.481 20 30 CEEDLO CC(=[NH+][N-]c1cc(C)[nH+]c(N)n1)c1ccc(N(C)C)cc1 ZINC000872420823 649386565 /nfs/dbraw/zinc/38/65/65/649386565.db2.gz ZHWQRZRKYYDTNK-UHFFFAOYSA-N 1 2 284.367 2.269 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872600727 649437122 /nfs/dbraw/zinc/43/71/22/649437122.db2.gz MSZIGYOTRHGPCY-HNNXBMFYSA-N 1 2 258.365 2.153 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872600727 649437125 /nfs/dbraw/zinc/43/71/25/649437125.db2.gz MSZIGYOTRHGPCY-HNNXBMFYSA-N 1 2 258.365 2.153 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878513721 651117717 /nfs/dbraw/zinc/11/77/17/651117717.db2.gz GWAKRLGRHXZNNJ-UHFFFAOYSA-N 1 2 271.320 2.286 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878513721 651117718 /nfs/dbraw/zinc/11/77/18/651117718.db2.gz GWAKRLGRHXZNNJ-UHFFFAOYSA-N 1 2 271.320 2.286 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H](OCC)C12CCC2)C(=O)OC ZINC000878671526 651159928 /nfs/dbraw/zinc/15/99/28/651159928.db2.gz IXYKWISBYLNTDV-XQQFMLRXSA-N 1 2 267.369 2.041 20 30 CEEDLO CC(C)[C@@H](O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878886978 651203980 /nfs/dbraw/zinc/20/39/80/651203980.db2.gz AEYOKOXUJJSFNH-RDJZCZTQSA-N 1 2 287.407 2.346 20 30 CEEDLO CC(C)[C@@H](O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878886978 651203982 /nfs/dbraw/zinc/20/39/82/651203982.db2.gz AEYOKOXUJJSFNH-RDJZCZTQSA-N 1 2 287.407 2.346 20 30 CEEDLO CCCCn1nnnc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879435255 651303838 /nfs/dbraw/zinc/30/38/38/651303838.db2.gz XQYFJETXXLHEAE-UHFFFAOYSA-N 1 2 298.394 2.019 20 30 CEEDLO CCCCn1nnnc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879435255 651303839 /nfs/dbraw/zinc/30/38/39/651303839.db2.gz XQYFJETXXLHEAE-UHFFFAOYSA-N 1 2 298.394 2.019 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2csc(CC)n2)CC1 ZINC000880477655 651447925 /nfs/dbraw/zinc/44/79/25/651447925.db2.gz MELZZEALNUCJLF-UHFFFAOYSA-N 1 2 264.394 2.056 20 30 CEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880492352 651449879 /nfs/dbraw/zinc/44/98/79/651449879.db2.gz QLYXJWRRGSMURX-GFCCVEGCSA-N 1 2 293.164 2.053 20 30 CEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880492352 651449881 /nfs/dbraw/zinc/44/98/81/651449881.db2.gz QLYXJWRRGSMURX-GFCCVEGCSA-N 1 2 293.164 2.053 20 30 CEEDLO Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C#N)n1 ZINC000882129802 651974649 /nfs/dbraw/zinc/97/46/49/651974649.db2.gz CTJQUMUWFPWVNF-CYBMUJFWSA-N 1 2 279.347 2.348 20 30 CEEDLO C=CC[NH+]1CCN(c2nc(C(C)C)ccc2C#N)CC1 ZINC001165033212 721863933 /nfs/dbraw/zinc/86/39/33/721863933.db2.gz HNFPUUCTIQMDOS-UHFFFAOYSA-N 1 2 270.380 2.385 20 30 CEEDLO CCC(=O)CO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001204870813 806588516 /nfs/dbraw/zinc/58/85/16/806588516.db2.gz NECDSFJFTKHKKG-INIZCTEOSA-N 1 2 272.348 2.128 20 30 CEEDLO CCC(=O)CO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001204870813 806588523 /nfs/dbraw/zinc/58/85/23/806588523.db2.gz NECDSFJFTKHKKG-INIZCTEOSA-N 1 2 272.348 2.128 20 30 CEEDLO CC(C)C#CC(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001266273520 802345660 /nfs/dbraw/zinc/34/56/60/802345660.db2.gz VNEDSUDOSVPEQT-UHFFFAOYSA-N 1 2 299.374 2.035 20 30 CEEDLO CC(C)C#CC(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001266273520 802345665 /nfs/dbraw/zinc/34/56/65/802345665.db2.gz VNEDSUDOSVPEQT-UHFFFAOYSA-N 1 2 299.374 2.035 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001209004752 802448287 /nfs/dbraw/zinc/44/82/87/802448287.db2.gz PHNOTIMYXKIPBA-IUODEOHRSA-N 1 2 279.384 2.231 20 30 CEEDLO CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001209004752 802448290 /nfs/dbraw/zinc/44/82/90/802448290.db2.gz PHNOTIMYXKIPBA-IUODEOHRSA-N 1 2 279.384 2.231 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CCC3)CC2)C1 ZINC001093496623 814935217 /nfs/dbraw/zinc/93/52/17/814935217.db2.gz HQSXHNTVPGXBEH-UHFFFAOYSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132301695 812819856 /nfs/dbraw/zinc/81/98/56/812819856.db2.gz DSLAXPGJFNQKOX-UHFFFAOYSA-N 1 2 294.399 2.001 20 30 CEEDLO CC[N@H+](CCC#N)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724079940 803028046 /nfs/dbraw/zinc/02/80/46/803028046.db2.gz UBEOWKXVFZSFPP-MRVPVSSYSA-N 1 2 274.233 2.171 20 30 CEEDLO CC[N@@H+](CCC#N)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724079940 803028051 /nfs/dbraw/zinc/02/80/51/803028051.db2.gz UBEOWKXVFZSFPP-MRVPVSSYSA-N 1 2 274.233 2.171 20 30 CEEDLO Cc1nc(NCc2cc[nH+]c(N)c2)c(C#N)c(C)c1C ZINC001167617043 803204223 /nfs/dbraw/zinc/20/42/23/803204223.db2.gz KHNFDLDYCVQUJW-UHFFFAOYSA-N 1 2 267.336 2.468 20 30 CEEDLO COC(=O)c1c(OC)cc[nH+]c1NCc1ccccc1C#N ZINC001167634681 803223774 /nfs/dbraw/zinc/22/37/74/803223774.db2.gz YKMPFSYCGYNQLD-UHFFFAOYSA-N 1 2 297.314 2.361 20 30 CEEDLO C=C(C)CCC(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001267378784 803438846 /nfs/dbraw/zinc/43/88/46/803438846.db2.gz IPARVVLHFZRWDR-UHFFFAOYSA-N 1 2 291.395 2.456 20 30 CEEDLO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267531455 803531424 /nfs/dbraw/zinc/53/14/24/803531424.db2.gz SAESADLCIWPTMK-GHMZBOCLSA-N 1 2 296.308 2.291 20 30 CEEDLO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267531455 803531427 /nfs/dbraw/zinc/53/14/27/803531427.db2.gz SAESADLCIWPTMK-GHMZBOCLSA-N 1 2 296.308 2.291 20 30 CEEDLO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267531455 803531430 /nfs/dbraw/zinc/53/14/30/803531430.db2.gz SAESADLCIWPTMK-GHMZBOCLSA-N 1 2 296.308 2.291 20 30 CEEDLO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267531455 803531432 /nfs/dbraw/zinc/53/14/32/803531432.db2.gz SAESADLCIWPTMK-GHMZBOCLSA-N 1 2 296.308 2.291 20 30 CEEDLO Cc1nc(N[C@H]2CCC[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001098620949 803844559 /nfs/dbraw/zinc/84/45/59/803844559.db2.gz JVEJJOANUARHDO-GJZGRUSLSA-N 1 2 298.390 2.038 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001027746643 804233000 /nfs/dbraw/zinc/23/30/00/804233000.db2.gz ZZMIBDTVSIUILF-GFCCVEGCSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001027746643 804233009 /nfs/dbraw/zinc/23/30/09/804233009.db2.gz ZZMIBDTVSIUILF-GFCCVEGCSA-N 1 2 297.786 2.238 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001027830863 804280736 /nfs/dbraw/zinc/28/07/36/804280736.db2.gz IHANLKDGMMOEDX-RYUDHWBXSA-N 1 2 270.804 2.366 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001027830863 804280740 /nfs/dbraw/zinc/28/07/40/804280740.db2.gz IHANLKDGMMOEDX-RYUDHWBXSA-N 1 2 270.804 2.366 20 30 CEEDLO Cc1nc(NCc2nc(C[NH+](C)C)cs2)ccc1C#N ZINC000722380980 804402659 /nfs/dbraw/zinc/40/26/59/804402659.db2.gz WZXFWXRUUGVFPB-UHFFFAOYSA-N 1 2 287.392 2.392 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ocnc1CC ZINC001028118693 804474446 /nfs/dbraw/zinc/47/44/46/804474446.db2.gz GBXMJPUXDVIYFJ-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ocnc1CC ZINC001028118693 804474449 /nfs/dbraw/zinc/47/44/49/804474449.db2.gz GBXMJPUXDVIYFJ-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001268454555 804698021 /nfs/dbraw/zinc/69/80/21/804698021.db2.gz DEIUBECKZRILLM-CHWSQXEVSA-N 1 2 264.413 2.128 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001268473999 804720202 /nfs/dbraw/zinc/72/02/02/804720202.db2.gz GQFHMVDNUMERMB-SNVBAGLBSA-N 1 2 278.318 2.342 20 30 CEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC001268727431 804945070 /nfs/dbraw/zinc/94/50/70/804945070.db2.gz MIYIXQUITNCKJU-WDEREUQCSA-N 1 2 258.793 2.222 20 30 CEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC001268727431 804945075 /nfs/dbraw/zinc/94/50/75/804945075.db2.gz MIYIXQUITNCKJU-WDEREUQCSA-N 1 2 258.793 2.222 20 30 CEEDLO CC#CCCCC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104159460 805010596 /nfs/dbraw/zinc/01/05/96/805010596.db2.gz SMSXMEKFVCXEBT-ZDUSSCGKSA-N 1 2 288.395 2.143 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001269269352 805105928 /nfs/dbraw/zinc/10/59/28/805105928.db2.gz YVBPBSNVBVSVFK-DZGCQCFKSA-N 1 2 291.395 2.310 20 30 CEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001269269352 805105932 /nfs/dbraw/zinc/10/59/32/805105932.db2.gz YVBPBSNVBVSVFK-DZGCQCFKSA-N 1 2 291.395 2.310 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001269314132 805125510 /nfs/dbraw/zinc/12/55/10/805125510.db2.gz ZWVJXFKBMXOHRW-QZTJIDSGSA-N 1 2 298.430 2.387 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)Cc1cccc(C)c1 ZINC001269314132 805125515 /nfs/dbraw/zinc/12/55/15/805125515.db2.gz ZWVJXFKBMXOHRW-QZTJIDSGSA-N 1 2 298.430 2.387 20 30 CEEDLO C=C(C)CCC(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001269801555 805257374 /nfs/dbraw/zinc/25/73/74/805257374.db2.gz XMGDOZXBDOYEIG-UHFFFAOYSA-N 1 2 280.412 2.054 20 30 CEEDLO CC[C@@H]1[C@@H](NC(C)=O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087478307 805524204 /nfs/dbraw/zinc/52/42/04/805524204.db2.gz KDIINMVJNAFVMI-JKSUJKDBSA-N 1 2 289.354 2.186 20 30 CEEDLO CC[C@@H]1[C@@H](NC(C)=O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087478307 805524209 /nfs/dbraw/zinc/52/42/09/805524209.db2.gz KDIINMVJNAFVMI-JKSUJKDBSA-N 1 2 289.354 2.186 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CC2CCCCC2)C1 ZINC001030084658 807069169 /nfs/dbraw/zinc/06/91/69/807069169.db2.gz WTBHKQRIOPLBNT-UHFFFAOYSA-N 1 2 250.386 2.333 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccsc2C)C1 ZINC001030281904 807135638 /nfs/dbraw/zinc/13/56/38/807135638.db2.gz GIKIABCQQQRFSU-UHFFFAOYSA-N 1 2 250.367 2.047 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001030407436 807171105 /nfs/dbraw/zinc/17/11/05/807171105.db2.gz GIIPSAYLMOVJIM-UHFFFAOYSA-N 1 2 296.345 2.416 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccccc2CC)C1 ZINC001030510180 807213023 /nfs/dbraw/zinc/21/30/23/807213023.db2.gz NWDOSFGRTPNNNE-UHFFFAOYSA-N 1 2 272.392 2.168 20 30 CEEDLO C=CC[C@@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001119398036 815107159 /nfs/dbraw/zinc/10/71/59/815107159.db2.gz VOKYIXFKGBHIHD-GDBMZVCRSA-N 1 2 289.375 2.395 20 30 CEEDLO C=CC[C@@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001119398036 815107164 /nfs/dbraw/zinc/10/71/64/815107164.db2.gz VOKYIXFKGBHIHD-GDBMZVCRSA-N 1 2 289.375 2.395 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)C1 ZINC001030731549 807350036 /nfs/dbraw/zinc/35/00/36/807350036.db2.gz DLISURANPQGNCB-JKSUJKDBSA-N 1 2 274.408 2.027 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@H](C)N1CC#N ZINC001119516125 815124296 /nfs/dbraw/zinc/12/42/96/815124296.db2.gz PEHBNOQXQJXJOD-PHIMTYICSA-N 1 2 267.760 2.351 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@H](C)N1CC#N ZINC001119516125 815124298 /nfs/dbraw/zinc/12/42/98/815124298.db2.gz PEHBNOQXQJXJOD-PHIMTYICSA-N 1 2 267.760 2.351 20 30 CEEDLO CCCCN(O)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001119555221 815130915 /nfs/dbraw/zinc/13/09/15/815130915.db2.gz HURDIKBWVXHFLN-OAHLLOKOSA-N 1 2 291.395 2.454 20 30 CEEDLO CCCCN(O)C(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001119555221 815130918 /nfs/dbraw/zinc/13/09/18/815130918.db2.gz HURDIKBWVXHFLN-OAHLLOKOSA-N 1 2 291.395 2.454 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(CC)cc2)C1 ZINC001031027115 807596613 /nfs/dbraw/zinc/59/66/13/807596613.db2.gz QPEUHPDJVRJQLZ-UHFFFAOYSA-N 1 2 272.392 2.168 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001031092893 807644406 /nfs/dbraw/zinc/64/44/06/807644406.db2.gz LTJJMTSAQSYBKE-UHFFFAOYSA-N 1 2 280.371 2.083 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001031257181 807856030 /nfs/dbraw/zinc/85/60/30/807856030.db2.gz LODVIMDTUPHHMP-AWEZNQCLSA-N 1 2 276.424 2.417 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(C)ccc2F)C1 ZINC001031284214 807867447 /nfs/dbraw/zinc/86/74/47/807867447.db2.gz SMKGTHXAXNBHSL-UHFFFAOYSA-N 1 2 276.355 2.053 20 30 CEEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001112399018 807869220 /nfs/dbraw/zinc/86/92/20/807869220.db2.gz ZDYLPGZLMIISCR-TZMCWYRMSA-N 1 2 288.395 2.082 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc3ccccc32)C1 ZINC001031295005 807873109 /nfs/dbraw/zinc/87/31/09/807873109.db2.gz DXNQYAQCFPWJBQ-UHFFFAOYSA-N 1 2 292.382 2.206 20 30 CEEDLO CCc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)on1 ZINC001203227738 807876068 /nfs/dbraw/zinc/87/60/68/807876068.db2.gz ISNGJADQHUOIIB-UHFFFAOYSA-N 1 2 296.374 2.431 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001031309245 807893035 /nfs/dbraw/zinc/89/30/35/807893035.db2.gz KCYYTOBQTXWFOH-OAHLLOKOSA-N 1 2 296.414 2.005 20 30 CEEDLO N#CCC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC001119804635 815160581 /nfs/dbraw/zinc/16/05/81/815160581.db2.gz AERVSKLRZCXOCL-UHFFFAOYSA-N 1 2 251.280 2.485 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001031388812 807941600 /nfs/dbraw/zinc/94/16/00/807941600.db2.gz QGSZLALQARGGMR-UHFFFAOYSA-N 1 2 293.370 2.119 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001032094950 808280203 /nfs/dbraw/zinc/28/02/03/808280203.db2.gz QABYEUTZOKMXDA-ZFWWWQNUSA-N 1 2 284.831 2.469 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001107717488 808511266 /nfs/dbraw/zinc/51/12/66/808511266.db2.gz WBWVKNNETIEZNF-QGZVFWFLSA-N 1 2 294.439 2.350 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001107717488 808511273 /nfs/dbraw/zinc/51/12/73/808511273.db2.gz WBWVKNNETIEZNF-QGZVFWFLSA-N 1 2 294.439 2.350 20 30 CEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032396826 808572308 /nfs/dbraw/zinc/57/23/08/808572308.db2.gz HBEKTZPUBFAVSZ-IRXDYDNUSA-N 1 2 298.361 2.024 20 30 CEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032396826 808572314 /nfs/dbraw/zinc/57/23/14/808572314.db2.gz HBEKTZPUBFAVSZ-IRXDYDNUSA-N 1 2 298.361 2.024 20 30 CEEDLO C=CCC(CC=C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107949811 808609339 /nfs/dbraw/zinc/60/93/39/808609339.db2.gz QYBJNZCNQJVSLN-GFCCVEGCSA-N 1 2 288.395 2.470 20 30 CEEDLO CC(C)C#CC(=O)N[C@@H](C)CC[NH2+]CC(F)(F)C(F)F ZINC001272763505 808625601 /nfs/dbraw/zinc/62/56/01/808625601.db2.gz BFVZJTIMBMHIBB-JTQLQIEISA-N 1 2 296.308 2.031 20 30 CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2ccccc21 ZINC001032477235 808630792 /nfs/dbraw/zinc/63/07/92/808630792.db2.gz HZDFKIQANMPXJQ-XYJFISCASA-N 1 2 294.398 2.025 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2ccccc21 ZINC001032477235 808630796 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CEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1Cl ZINC001032763899 808847514 /nfs/dbraw/zinc/84/75/14/808847514.db2.gz WAXWHLIFXONQCH-RYUDHWBXSA-N 1 2 292.741 2.011 20 30 CEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1Cl ZINC001032763899 808847518 /nfs/dbraw/zinc/84/75/18/808847518.db2.gz WAXWHLIFXONQCH-RYUDHWBXSA-N 1 2 292.741 2.011 20 30 CEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)s1 ZINC001032771483 808854978 /nfs/dbraw/zinc/85/49/78/808854978.db2.gz COKDIQFTBLQXEA-KBPBESRZSA-N 1 2 288.416 2.287 20 30 CEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)s1 ZINC001032771483 808854982 /nfs/dbraw/zinc/85/49/82/808854982.db2.gz COKDIQFTBLQXEA-KBPBESRZSA-N 1 2 288.416 2.287 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc(C)sc1C)[C@H]1CCCO1 ZINC001116650731 808858487 /nfs/dbraw/zinc/85/84/87/808858487.db2.gz DUTLLHKYFXGIOT-WCQYABFASA-N 1 2 250.367 2.030 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(Cl)cc2C)C1 ZINC001043732145 809006648 /nfs/dbraw/zinc/00/66/48/809006648.db2.gz 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C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001035617781 809796816 /nfs/dbraw/zinc/79/68/16/809796816.db2.gz AGHSKYSBXRGQSO-YMAMQOFZSA-N 1 2 294.439 2.062 20 30 CEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C#CC1CC1)CC2 ZINC001035702615 809805490 /nfs/dbraw/zinc/80/54/90/809805490.db2.gz XSNXBNQXFVVYCE-UHFFFAOYSA-N 1 2 292.810 2.077 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2F)C1 ZINC001016163748 810404944 /nfs/dbraw/zinc/40/49/44/810404944.db2.gz INLBNNNNRBCTPH-ZDUSSCGKSA-N 1 2 296.773 2.311 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2F)C1 ZINC001016163748 810404948 /nfs/dbraw/zinc/40/49/48/810404948.db2.gz INLBNNNNRBCTPH-ZDUSSCGKSA-N 1 2 296.773 2.311 20 30 CEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001017655291 810539211 /nfs/dbraw/zinc/53/92/11/810539211.db2.gz HJOFDHQPPXDKOX-OWCLPIDISA-N 1 2 286.419 2.265 20 30 CEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001017655291 810539220 /nfs/dbraw/zinc/53/92/20/810539220.db2.gz 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ZINC001085840860 810935721 /nfs/dbraw/zinc/93/57/21/810935721.db2.gz RVKCFIIRYBYDHN-LLVKDONJSA-N 1 2 294.757 2.259 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038892845 810938457 /nfs/dbraw/zinc/93/84/57/810938457.db2.gz WARUDUDNXQJWHL-KRWDZBQOSA-N 1 2 293.370 2.062 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038892845 810938463 /nfs/dbraw/zinc/93/84/63/810938463.db2.gz WARUDUDNXQJWHL-KRWDZBQOSA-N 1 2 293.370 2.062 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1C1CC1 ZINC001085861910 810946756 /nfs/dbraw/zinc/94/67/56/810946756.db2.gz KLJQRNCNOPQMCB-GFCCVEGCSA-N 1 2 291.420 2.353 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1C1CC1 ZINC001085861910 810946764 /nfs/dbraw/zinc/94/67/64/810946764.db2.gz KLJQRNCNOPQMCB-GFCCVEGCSA-N 1 2 291.420 2.353 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038961039 810958012 /nfs/dbraw/zinc/95/80/12/810958012.db2.gz SXIFXAVNCHCDEN-AWEZNQCLSA-N 1 2 276.767 2.167 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038961039 810958016 /nfs/dbraw/zinc/95/80/16/810958016.db2.gz SXIFXAVNCHCDEN-AWEZNQCLSA-N 1 2 276.767 2.167 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001038992694 810964775 /nfs/dbraw/zinc/96/47/75/810964775.db2.gz WXBSLMOIKACQBE-CQSZACIVSA-N 1 2 282.343 2.260 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001038992694 810964781 /nfs/dbraw/zinc/96/47/81/810964781.db2.gz WXBSLMOIKACQBE-CQSZACIVSA-N 1 2 282.343 2.260 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039059939 810977330 /nfs/dbraw/zinc/97/73/30/810977330.db2.gz HOFAVUYOYVTAAQ-UONOGXRCSA-N 1 2 262.397 2.027 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039059939 810977333 /nfs/dbraw/zinc/97/73/33/810977333.db2.gz HOFAVUYOYVTAAQ-UONOGXRCSA-N 1 2 262.397 2.027 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001108328527 811225348 /nfs/dbraw/zinc/22/53/48/811225348.db2.gz 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/nfs/dbraw/zinc/43/98/83/815439883.db2.gz APHDJFSOYHAJLL-YPMHNXCESA-N 1 2 269.410 2.464 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001042975873 811340977 /nfs/dbraw/zinc/34/09/77/811340977.db2.gz PFABTMBWUOQPAR-UHFFFAOYSA-N 1 2 292.354 2.167 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(Cl)cc2F)C1 ZINC001043259434 811360188 /nfs/dbraw/zinc/36/01/88/811360188.db2.gz CUXIKJDQTMXCNG-UHFFFAOYSA-N 1 2 294.757 2.259 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nc(Cl)sc2C)C1 ZINC001043307501 811364908 /nfs/dbraw/zinc/36/49/08/811364908.db2.gz VLVRIWOVAOIYHJ-UHFFFAOYSA-N 1 2 299.827 2.437 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]23CCO[C@H]2CCCC3)C1 ZINC001043314255 811365396 /nfs/dbraw/zinc/36/53/96/811365396.db2.gz LPXPIRKDMDMCQL-DOTOQJQBSA-N 1 2 292.423 2.054 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001043579854 811388320 /nfs/dbraw/zinc/38/83/20/811388320.db2.gz SIXYLYWXLPMAAB-ZDUSSCGKSA-N 1 2 250.386 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001043705012 811399484 /nfs/dbraw/zinc/39/94/84/811399484.db2.gz SRBXZFLEXFOCON-INIZCTEOSA-N 1 2 270.376 2.045 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(F)ccc(C)c2F)C1 ZINC001043740990 811402227 /nfs/dbraw/zinc/40/22/27/811402227.db2.gz IJHWEPYYXIZXKC-UHFFFAOYSA-N 1 2 292.329 2.053 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001043802728 811408379 /nfs/dbraw/zinc/40/83/79/811408379.db2.gz HQTMUHUACGIHPP-CZUORRHYSA-N 1 2 262.397 2.285 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001044158999 811448240 /nfs/dbraw/zinc/44/82/40/811448240.db2.gz GSINBXLCYFNNTO-UHFFFAOYSA-N 1 2 290.411 2.174 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001044167039 811449504 /nfs/dbraw/zinc/44/95/04/811449504.db2.gz IYBOFGUBRFIMQR-UHFFFAOYSA-N 1 2 290.411 2.105 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001044200060 811452349 /nfs/dbraw/zinc/45/23/49/811452349.db2.gz YYDQXSUJKVNZRT-UHFFFAOYSA-N 1 2 297.402 2.347 20 30 CEEDLO COc1cncc(CCNc2ccc(CC#N)c[nH+]2)c1 ZINC001169259490 811468195 /nfs/dbraw/zinc/46/81/95/811468195.db2.gz LERAEOHCAFUIFF-UHFFFAOYSA-N 1 2 268.320 2.206 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001044385664 811479694 /nfs/dbraw/zinc/47/96/94/811479694.db2.gz FIVCKGPGZBKWNB-UHFFFAOYSA-N 1 2 287.407 2.157 20 30 CEEDLO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172497028 815454518 /nfs/dbraw/zinc/45/45/18/815454518.db2.gz WIQBSRKULGECBA-JQWIXIFHSA-N 1 2 250.367 2.343 20 30 CEEDLO C[C@@H](CCCC#N)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172497028 815454520 /nfs/dbraw/zinc/45/45/20/815454520.db2.gz WIQBSRKULGECBA-JQWIXIFHSA-N 1 2 250.367 2.343 20 30 CEEDLO CC(=O)N1CCC[C@H]([N@H+](CCC#N)Cc2ccccc2)C1 ZINC001169598830 811582365 /nfs/dbraw/zinc/58/23/65/811582365.db2.gz ZCFYKJCLHWUYHV-KRWDZBQOSA-N 1 2 285.391 2.413 20 30 CEEDLO CC(=O)N1CCC[C@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001169598830 811582369 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C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc[nH]1)C2 ZINC001096577499 812211389 /nfs/dbraw/zinc/21/13/89/812211389.db2.gz VFNAWKFRDHBCES-RDBSUJKOSA-N 1 2 293.798 2.031 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc[nH]1)C2 ZINC001096577499 812211396 /nfs/dbraw/zinc/21/13/96/812211396.db2.gz VFNAWKFRDHBCES-RDBSUJKOSA-N 1 2 293.798 2.031 20 30 CEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113821676 812364527 /nfs/dbraw/zinc/36/45/27/812364527.db2.gz GHABNDHKIWSVED-JSGCOSHPSA-N 1 2 290.411 2.328 20 30 CEEDLO Cc1nc(NC2CCC(NC(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001097622918 812381566 /nfs/dbraw/zinc/38/15/66/812381566.db2.gz CYEIEZTYKPOFOV-UHFFFAOYSA-N 1 2 298.390 2.038 20 30 CEEDLO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001170353149 812391843 /nfs/dbraw/zinc/39/18/43/812391843.db2.gz WTAURXGLPUFQSL-VXGBXAGGSA-N 1 2 289.335 2.380 20 30 CEEDLO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001170353149 812391853 /nfs/dbraw/zinc/39/18/53/812391853.db2.gz WTAURXGLPUFQSL-VXGBXAGGSA-N 1 2 289.335 2.380 20 30 CEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCC1CCC1)CCO2 ZINC001053211073 812493796 /nfs/dbraw/zinc/49/37/96/812493796.db2.gz DCXNHABPORILHA-UHFFFAOYSA-N 1 2 292.423 2.056 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1=CCCC1)O2 ZINC001053589977 812508931 /nfs/dbraw/zinc/50/89/31/812508931.db2.gz WGTQCPQDPIXUOK-HNNXBMFYSA-N 1 2 290.407 2.022 20 30 CEEDLO Cc1cc(C)c(CNC(=O)c2coc(C#N)c2)c[nH+]1 ZINC001129842228 812512316 /nfs/dbraw/zinc/51/23/16/812512316.db2.gz VSMSZYNLOIBIOR-UHFFFAOYSA-N 1 2 255.277 2.093 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3=CCCC3)cc2C1 ZINC001054260932 812556909 /nfs/dbraw/zinc/55/69/09/812556909.db2.gz HEYGCWMZJIFMBW-UHFFFAOYSA-N 1 2 280.371 2.362 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3=CCCC3)cc2C1 ZINC001054260932 812556912 /nfs/dbraw/zinc/55/69/12/812556912.db2.gz HEYGCWMZJIFMBW-UHFFFAOYSA-N 1 2 280.371 2.362 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOCC)CC[C@H]1C 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C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001132576011 812898145 /nfs/dbraw/zinc/89/81/45/812898145.db2.gz GMNVXEUIJUCTLJ-OLZOCXBDSA-N 1 2 293.411 2.462 20 30 CEEDLO C#Cc1cc(Nc2ccc(NC(C)=O)c(F)c2)cc[nH+]1 ZINC001212700824 815567776 /nfs/dbraw/zinc/56/77/76/815567776.db2.gz HNZLXVJCDZYAMN-UHFFFAOYSA-N 1 2 269.279 2.326 20 30 CEEDLO C=C1CCC(C(=O)NCC[NH2+][C@H](C)c2csnn2)CC1 ZINC001133365207 813039149 /nfs/dbraw/zinc/03/91/49/813039149.db2.gz HLEWJCQULUWMSN-LLVKDONJSA-N 1 2 294.424 2.051 20 30 CEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)CC1 ZINC001133376038 813041974 /nfs/dbraw/zinc/04/19/74/813041974.db2.gz SWLJXYZHFYJLKS-UHFFFAOYSA-N 1 2 291.395 2.244 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001133381103 813043203 /nfs/dbraw/zinc/04/32/03/813043203.db2.gz WEPMSCQHPFYFDD-NHYWBVRUSA-N 1 2 294.399 2.001 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001133382958 813045109 /nfs/dbraw/zinc/04/51/09/813045109.db2.gz 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ZINC000091077790 344151857 /nfs/dbraw/zinc/15/18/57/344151857.db2.gz VVYLNVRIIPUPRS-UHFFFAOYSA-N 1 2 271.751 2.473 20 30 CEEDLO Clc1ccc(C#CC[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091077790 344151859 /nfs/dbraw/zinc/15/18/59/344151859.db2.gz VVYLNVRIIPUPRS-UHFFFAOYSA-N 1 2 271.751 2.473 20 30 CEEDLO Clc1cccc(C#CC[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000091079109 344152266 /nfs/dbraw/zinc/15/22/66/344152266.db2.gz MBAZJCXGMXWQQF-UHFFFAOYSA-N 1 2 271.751 2.473 20 30 CEEDLO Clc1cccc(C#CC[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000091079109 344152269 /nfs/dbraw/zinc/15/22/69/344152269.db2.gz MBAZJCXGMXWQQF-UHFFFAOYSA-N 1 2 271.751 2.473 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000093771557 344229640 /nfs/dbraw/zinc/22/96/40/344229640.db2.gz LPZFBVHRWWSTLC-OAHLLOKOSA-N 1 2 288.391 2.352 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CCC ZINC000093771557 344229641 /nfs/dbraw/zinc/22/96/41/344229641.db2.gz LPZFBVHRWWSTLC-OAHLLOKOSA-N 1 2 288.391 2.352 20 30 CEEDLO CC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)C[C@@H](C)C#N ZINC000602449311 347037696 /nfs/dbraw/zinc/03/76/96/347037696.db2.gz YLVAHUAUSIDYCY-JTQLQIEISA-N 1 2 263.341 2.091 20 30 CEEDLO CC[N@H+](Cc1cc(C(=O)OC)c(C)[nH]1)C[C@@H](C)C#N ZINC000602449311 347037699 /nfs/dbraw/zinc/03/76/99/347037699.db2.gz YLVAHUAUSIDYCY-JTQLQIEISA-N 1 2 263.341 2.091 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117777559 344290088 /nfs/dbraw/zinc/29/00/88/344290088.db2.gz KUQVVDYEVUKTAW-OAHLLOKOSA-N 1 2 268.320 2.294 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(C#N)cc1 ZINC000130989469 344355880 /nfs/dbraw/zinc/35/58/80/344355880.db2.gz HOWBGNFSXTVFAA-IUODEOHRSA-N 1 2 294.358 2.195 20 30 CEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000145656799 344409092 /nfs/dbraw/zinc/40/90/92/344409092.db2.gz VSMIOLJUVVMEMM-ZDUSSCGKSA-N 1 2 271.364 2.273 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000051332749 362430063 /nfs/dbraw/zinc/43/00/63/362430063.db2.gz KCEPCHSRPADTIK-HNNXBMFYSA-N 1 2 298.367 2.176 20 30 CEEDLO NC(=[NH+]OCCCc1cccc(F)c1)[C@H]1CCCO1 ZINC000284026009 344678005 /nfs/dbraw/zinc/67/80/05/344678005.db2.gz IHVLUVUBZZHJFT-CYBMUJFWSA-N 1 2 266.316 2.226 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000250374051 344633141 /nfs/dbraw/zinc/63/31/41/344633141.db2.gz MWXUTLDJNSZEFM-NEPJUHHUSA-N 1 2 253.390 2.161 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000250374051 344633143 /nfs/dbraw/zinc/63/31/43/344633143.db2.gz MWXUTLDJNSZEFM-NEPJUHHUSA-N 1 2 253.390 2.161 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000351067079 344793423 /nfs/dbraw/zinc/79/34/23/344793423.db2.gz TVXSRKVHBJQQLU-BONVTDFDSA-N 1 2 279.303 2.109 20 30 CEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000383863113 344828023 /nfs/dbraw/zinc/82/80/23/344828023.db2.gz SILSQNYNTUNTRZ-MRXNPFEDSA-N 1 2 289.375 2.395 20 30 CEEDLO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000397579871 344851753 /nfs/dbraw/zinc/85/17/53/344851753.db2.gz HEVHKJOITOTQRW-CYBMUJFWSA-N 1 2 287.363 2.259 20 30 CEEDLO COc1cccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000397579871 344851755 /nfs/dbraw/zinc/85/17/55/344851755.db2.gz HEVHKJOITOTQRW-CYBMUJFWSA-N 1 2 287.363 2.259 20 30 CEEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCCC#N ZINC000586777484 345020455 /nfs/dbraw/zinc/02/04/55/345020455.db2.gz QBIIEFFFLOPPOV-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCCC#N ZINC000586777484 345020459 /nfs/dbraw/zinc/02/04/59/345020459.db2.gz QBIIEFFFLOPPOV-UWVGGRQHSA-N 1 2 250.264 2.332 20 30 CEEDLO N#CCCCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000588162397 345040614 /nfs/dbraw/zinc/04/06/14/345040614.db2.gz FMQLWOVKIDJSNN-CQSZACIVSA-N 1 2 286.379 2.251 20 30 CEEDLO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000589198114 345070917 /nfs/dbraw/zinc/07/09/17/345070917.db2.gz ULYUCCFAVSPQDG-UHFFFAOYSA-N 1 2 274.276 2.211 20 30 CEEDLO C=CCOc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000056555848 362562438 /nfs/dbraw/zinc/56/24/38/362562438.db2.gz BMPYYZZVRYEEEC-UHFFFAOYSA-N 1 2 286.335 2.270 20 30 CEEDLO N#Cc1cscc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000590098476 345113856 /nfs/dbraw/zinc/11/38/56/345113856.db2.gz ZPKADMVJPGOFHN-CYBMUJFWSA-N 1 2 299.355 2.308 20 30 CEEDLO CCCc1[nH+]c(C)cc(OCC#CCOC)c1C(=O)OC ZINC000591372304 345245229 /nfs/dbraw/zinc/24/52/29/345245229.db2.gz CLTDXHBSDFJTAM-UHFFFAOYSA-N 1 2 291.347 2.158 20 30 CEEDLO C=C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C(=O)OC ZINC000590969948 345208076 /nfs/dbraw/zinc/20/80/76/345208076.db2.gz QSXMXXFMKYZCAO-GXTWGEPZSA-N 1 2 262.353 2.110 20 30 CEEDLO C[N@@H+](Cc1ccncc1C#N)C[C@H]1COc2ccccc2O1 ZINC000592058817 345317167 /nfs/dbraw/zinc/31/71/67/345317167.db2.gz PFOWASMQNAFVIC-HNNXBMFYSA-N 1 2 295.342 2.225 20 30 CEEDLO C[N@H+](Cc1ccncc1C#N)C[C@H]1COc2ccccc2O1 ZINC000592058817 345317170 /nfs/dbraw/zinc/31/71/70/345317170.db2.gz PFOWASMQNAFVIC-HNNXBMFYSA-N 1 2 295.342 2.225 20 30 CEEDLO N#Cc1cnccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000592074216 345319033 /nfs/dbraw/zinc/31/90/33/345319033.db2.gz KQBDPVKVWABMSK-ZDUSSCGKSA-N 1 2 299.296 2.088 20 30 CEEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592097221 345321318 /nfs/dbraw/zinc/32/13/18/345321318.db2.gz HHKGMLQLBGXECI-IIBYNOLFSA-N 1 2 299.399 2.163 20 30 CEEDLO N#Cc1cnccc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000592097228 345321326 /nfs/dbraw/zinc/32/13/26/345321326.db2.gz HNAOTOIYNFYSNY-UHFFFAOYSA-N 1 2 293.326 2.461 20 30 CEEDLO N#CC1(CCC[N@@H+]2Cc3cccnc3C2)CCOCC1 ZINC000591846208 345288289 /nfs/dbraw/zinc/28/82/89/345288289.db2.gz SJTYUFNEVJOKKX-UHFFFAOYSA-N 1 2 271.364 2.498 20 30 CEEDLO N#CC1(CCC[N@H+]2Cc3cccnc3C2)CCOCC1 ZINC000591846208 345288291 /nfs/dbraw/zinc/28/82/91/345288291.db2.gz SJTYUFNEVJOKKX-UHFFFAOYSA-N 1 2 271.364 2.498 20 30 CEEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000591849891 345288301 /nfs/dbraw/zinc/28/83/01/345288301.db2.gz GUTNVBBWTKIORW-NXEZZACHSA-N 1 2 266.366 2.382 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000592107230 345323104 /nfs/dbraw/zinc/32/31/04/345323104.db2.gz GLPROVKWJMPRRU-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000592107230 345323107 /nfs/dbraw/zinc/32/31/07/345323107.db2.gz GLPROVKWJMPRRU-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000592399582 345350774 /nfs/dbraw/zinc/35/07/74/345350774.db2.gz NGPWJKIERSNARQ-WOPDTQHZSA-N 1 2 252.358 2.389 20 30 CEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000592522365 345365631 /nfs/dbraw/zinc/36/56/31/345365631.db2.gz MOBVAVKJMYSQCJ-CQSZACIVSA-N 1 2 291.351 2.286 20 30 CEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000592522365 345365634 /nfs/dbraw/zinc/36/56/34/345365634.db2.gz MOBVAVKJMYSQCJ-CQSZACIVSA-N 1 2 291.351 2.286 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000592148508 345330093 /nfs/dbraw/zinc/33/00/93/345330093.db2.gz VXSJEPAVWQTOTK-ZDUSSCGKSA-N 1 2 295.180 2.300 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000592148508 345330096 /nfs/dbraw/zinc/33/00/96/345330096.db2.gz VXSJEPAVWQTOTK-ZDUSSCGKSA-N 1 2 295.180 2.300 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)C2(CCC2)CO1 ZINC000593092476 345437444 /nfs/dbraw/zinc/43/74/44/345437444.db2.gz OQZGICYAMNASRR-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)C2(CCC2)CO1 ZINC000593092476 345437447 /nfs/dbraw/zinc/43/74/47/345437447.db2.gz OQZGICYAMNASRR-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO CC(C)Oc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593156152 345447751 /nfs/dbraw/zinc/44/77/51/345447751.db2.gz JMRDRTYPMRVMLZ-INIZCTEOSA-N 1 2 289.379 2.047 20 30 CEEDLO CC[C@](C)(C#N)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592746763 345392442 /nfs/dbraw/zinc/39/24/42/345392442.db2.gz UZNHXPUWBGXLKM-MRXNPFEDSA-N 1 2 284.363 2.241 20 30 CEEDLO N#Cc1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)ccc1F ZINC000593452302 345489559 /nfs/dbraw/zinc/48/95/59/345489559.db2.gz ZJPHRJFOGSIYEG-UHFFFAOYSA-N 1 2 298.321 2.411 20 30 CEEDLO C[C@H]1C[C@H](NC(=O)NCC2(C#N)CCCC2)c2[nH+]ccn21 ZINC000593413294 345479552 /nfs/dbraw/zinc/47/95/52/345479552.db2.gz WAIVKQQZXRRIQA-RYUDHWBXSA-N 1 2 287.367 2.272 20 30 CEEDLO C[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000116942710 282966761 /nfs/dbraw/zinc/96/67/61/282966761.db2.gz ORBVMRPNWIBTQZ-UHFFFAOYSA-N 1 2 280.169 2.073 20 30 CEEDLO CC[C@@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000593897079 345549548 /nfs/dbraw/zinc/54/95/48/345549548.db2.gz ODNKOZIDRCTGGE-IHRRRGAJSA-N 1 2 286.379 2.471 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000594303402 345610049 /nfs/dbraw/zinc/61/00/49/345610049.db2.gz BKMYOGCAGIAIAB-VXGBXAGGSA-N 1 2 282.347 2.337 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000594303402 345610051 /nfs/dbraw/zinc/61/00/51/345610051.db2.gz BKMYOGCAGIAIAB-VXGBXAGGSA-N 1 2 282.347 2.337 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594400098 345621487 /nfs/dbraw/zinc/62/14/87/345621487.db2.gz OZJDIJZHJUVZCF-LLVKDONJSA-N 1 2 280.331 2.002 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594400098 345621491 /nfs/dbraw/zinc/62/14/91/345621491.db2.gz OZJDIJZHJUVZCF-LLVKDONJSA-N 1 2 280.331 2.002 20 30 CEEDLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccc(C#N)cc1 ZINC000594514667 345641488 /nfs/dbraw/zinc/64/14/88/345641488.db2.gz YVGYVQDKQROEAG-SMDDNHRTSA-N 1 2 297.362 2.379 20 30 CEEDLO CCN(C(=O)C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000057906357 362601413 /nfs/dbraw/zinc/60/14/13/362601413.db2.gz JDMYZIOREBKCRF-UHFFFAOYSA-N 1 2 271.364 2.275 20 30 CEEDLO N#CC1(c2ccc(CNc3ccc(CO)c[nH+]3)cc2)CC1 ZINC000594953370 345714990 /nfs/dbraw/zinc/71/49/90/345714990.db2.gz IDQHXLFPTZHFOU-UHFFFAOYSA-N 1 2 279.343 2.163 20 30 CEEDLO Cc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)o1 ZINC000595501487 345796910 /nfs/dbraw/zinc/79/69/10/345796910.db2.gz KZJORBSWGSXVQV-CQSZACIVSA-N 1 2 298.346 2.211 20 30 CEEDLO Cc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)o1 ZINC000595501487 345796911 /nfs/dbraw/zinc/79/69/11/345796911.db2.gz KZJORBSWGSXVQV-CQSZACIVSA-N 1 2 298.346 2.211 20 30 CEEDLO COC(=O)C[N@H+](CC1(C#N)CC1)C1CCCCC1 ZINC000595669357 345844314 /nfs/dbraw/zinc/84/43/14/345844314.db2.gz WFRVJWQDMFSKEI-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO COC(=O)C[N@@H+](CC1(C#N)CC1)C1CCCCC1 ZINC000595669357 345844316 /nfs/dbraw/zinc/84/43/16/345844316.db2.gz WFRVJWQDMFSKEI-UHFFFAOYSA-N 1 2 250.342 2.098 20 30 CEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000595614759 345828123 /nfs/dbraw/zinc/82/81/23/345828123.db2.gz NQOGNPKWWRCYIL-VIFPVBQESA-N 1 2 288.273 2.300 20 30 CEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1 ZINC000595614759 345828126 /nfs/dbraw/zinc/82/81/26/345828126.db2.gz NQOGNPKWWRCYIL-VIFPVBQESA-N 1 2 288.273 2.300 20 30 CEEDLO Cc1nnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000595633456 345832963 /nfs/dbraw/zinc/83/29/63/345832963.db2.gz RXXADJDZDSBWLS-UHFFFAOYSA-N 1 2 256.309 2.275 20 30 CEEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000595656856 345839192 /nfs/dbraw/zinc/83/91/92/345839192.db2.gz GPGKEJNIHMZVOQ-GOSISDBHSA-N 1 2 297.402 2.162 20 30 CEEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000595656856 345839195 /nfs/dbraw/zinc/83/91/95/345839195.db2.gz GPGKEJNIHMZVOQ-GOSISDBHSA-N 1 2 297.402 2.162 20 30 CEEDLO Cc1c(-c2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)on2)cnn1C ZINC000595844541 345897280 /nfs/dbraw/zinc/89/72/80/345897280.db2.gz UPRQZQQHRHWJCQ-HNNXBMFYSA-N 1 2 285.351 2.119 20 30 CEEDLO Cc1c(-c2cc(C[N@H+]3CC[C@@](C)(C#N)C3)on2)cnn1C ZINC000595844541 345897282 /nfs/dbraw/zinc/89/72/82/345897282.db2.gz UPRQZQQHRHWJCQ-HNNXBMFYSA-N 1 2 285.351 2.119 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000595833639 345890727 /nfs/dbraw/zinc/89/07/27/345890727.db2.gz IATRTPRGFFEXPK-SWLSCSKDSA-N 1 2 258.321 2.062 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000595833639 345890731 /nfs/dbraw/zinc/89/07/31/345890731.db2.gz IATRTPRGFFEXPK-SWLSCSKDSA-N 1 2 258.321 2.062 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000595836353 345892363 /nfs/dbraw/zinc/89/23/63/345892363.db2.gz YMEPTFYAPWYIPQ-HIFRSBDPSA-N 1 2 265.401 2.256 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000595836353 345892364 /nfs/dbraw/zinc/89/23/64/345892364.db2.gz YMEPTFYAPWYIPQ-HIFRSBDPSA-N 1 2 265.401 2.256 20 30 CEEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836905 345893204 /nfs/dbraw/zinc/89/32/04/345893204.db2.gz AXJWWZWSRQUFKY-CRAIPNDOSA-N 1 2 299.418 2.278 20 30 CEEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836905 345893205 /nfs/dbraw/zinc/89/32/05/345893205.db2.gz AXJWWZWSRQUFKY-CRAIPNDOSA-N 1 2 299.418 2.278 20 30 CEEDLO COC(=O)[C@](C)(CCF)[NH2+]CCCC(C)(C)C#N ZINC000595775661 345873854 /nfs/dbraw/zinc/87/38/54/345873854.db2.gz NVTVNMWYHAIBJL-ZDUSSCGKSA-N 1 2 258.337 2.197 20 30 CEEDLO C[C@@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1[nH+]ccn1C ZINC000595844156 345897008 /nfs/dbraw/zinc/89/70/08/345897008.db2.gz AWMZTOUKZMYLCV-LLVKDONJSA-N 1 2 295.346 2.078 20 30 CEEDLO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)[C@@H](C)C#N ZINC000595811873 345882247 /nfs/dbraw/zinc/88/22/47/345882247.db2.gz GZDDHJIEMCPYDV-NSHDSACASA-N 1 2 263.316 2.388 20 30 CEEDLO CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)[C@@H](C)C#N ZINC000595811873 345882251 /nfs/dbraw/zinc/88/22/51/345882251.db2.gz GZDDHJIEMCPYDV-NSHDSACASA-N 1 2 263.316 2.388 20 30 CEEDLO COC(=O)c1ccc(C[NH2+][C@@H](C)CC#N)c(F)c1 ZINC000596048071 345927599 /nfs/dbraw/zinc/92/75/99/345927599.db2.gz YSLKRVVLBDBMFV-VIFPVBQESA-N 1 2 250.273 2.004 20 30 CEEDLO C=C(C)C[NH2+]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595892177 345908011 /nfs/dbraw/zinc/90/80/11/345908011.db2.gz FZHWNQMFKMXRCO-UHFFFAOYSA-N 1 2 255.358 2.043 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000596432761 346022397 /nfs/dbraw/zinc/02/23/97/346022397.db2.gz SLRMINXFNJZRQN-KBPBESRZSA-N 1 2 288.395 2.091 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000596432761 346022400 /nfs/dbraw/zinc/02/24/00/346022400.db2.gz SLRMINXFNJZRQN-KBPBESRZSA-N 1 2 288.395 2.091 20 30 CEEDLO CCOC(=O)[C@@]1(C)CCC[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000596551023 346052829 /nfs/dbraw/zinc/05/28/29/346052829.db2.gz JWJQABDIZICPEU-HOCLYGCPSA-N 1 2 287.363 2.217 20 30 CEEDLO C[C@@H](CC#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000596696029 346076694 /nfs/dbraw/zinc/07/66/94/346076694.db2.gz ABMDXRBWAAKEAE-GXTWGEPZSA-N 1 2 282.347 2.175 20 30 CEEDLO C[C@@H](CC#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000596812455 346092516 /nfs/dbraw/zinc/09/25/16/346092516.db2.gz QGGPIOUKWOONPA-ZDUSSCGKSA-N 1 2 286.379 2.238 20 30 CEEDLO C[C@]1(C#N)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000596886718 346101520 /nfs/dbraw/zinc/10/15/20/346101520.db2.gz OEMRJJJNURFDRN-CQSZACIVSA-N 1 2 269.308 2.102 20 30 CEEDLO Cc1csc(NC(=O)N(C)Cc2c[nH+]c[nH]2)c1C#N ZINC000596902631 346104009 /nfs/dbraw/zinc/10/40/09/346104009.db2.gz GLWODTMOVSFGAP-UHFFFAOYSA-N 1 2 275.337 2.315 20 30 CEEDLO Cc1csc(NC(=O)N(C)Cc2c[nH]c[nH+]2)c1C#N ZINC000596902631 346104012 /nfs/dbraw/zinc/10/40/12/346104012.db2.gz GLWODTMOVSFGAP-UHFFFAOYSA-N 1 2 275.337 2.315 20 30 CEEDLO Cc1cc[nH+]cc1Cc1noc(CC2(C#N)CCOCC2)n1 ZINC000596617526 346065930 /nfs/dbraw/zinc/06/59/30/346065930.db2.gz TZZBTOIAEBHMLJ-UHFFFAOYSA-N 1 2 298.346 2.227 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596995518 346113458 /nfs/dbraw/zinc/11/34/58/346113458.db2.gz LIHPUUIVXKFSNF-GFCCVEGCSA-N 1 2 280.331 2.333 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596995518 346113463 /nfs/dbraw/zinc/11/34/63/346113463.db2.gz LIHPUUIVXKFSNF-GFCCVEGCSA-N 1 2 280.331 2.333 20 30 CEEDLO N#CC1(c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)cc2)CC1 ZINC000597132679 346133424 /nfs/dbraw/zinc/13/34/24/346133424.db2.gz TWKDFHFOKXDGGY-SFHVURJKSA-N 1 2 298.386 2.233 20 30 CEEDLO N#CC1(c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)cc2)CC1 ZINC000597132679 346133425 /nfs/dbraw/zinc/13/34/25/346133425.db2.gz TWKDFHFOKXDGGY-SFHVURJKSA-N 1 2 298.386 2.233 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597143713 346134816 /nfs/dbraw/zinc/13/48/16/346134816.db2.gz CFCCTKJMRUXWJK-CYBMUJFWSA-N 1 2 288.395 2.303 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597143713 346134819 /nfs/dbraw/zinc/13/48/19/346134819.db2.gz CFCCTKJMRUXWJK-CYBMUJFWSA-N 1 2 288.395 2.303 20 30 CEEDLO COc1cc2c(c(C[NH+]3CC(CC#N)C3)c1)O[C@@H](C)C2 ZINC000597193212 346145764 /nfs/dbraw/zinc/14/57/64/346145764.db2.gz FJZISZKABPRFQY-NSHDSACASA-N 1 2 272.348 2.364 20 30 CEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000597232958 346156536 /nfs/dbraw/zinc/15/65/36/346156536.db2.gz YFICJHZEGPZEOB-AWEZNQCLSA-N 1 2 256.309 2.405 20 30 CEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000597232958 346156538 /nfs/dbraw/zinc/15/65/38/346156538.db2.gz YFICJHZEGPZEOB-AWEZNQCLSA-N 1 2 256.309 2.405 20 30 CEEDLO N#CC1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000597248801 346161684 /nfs/dbraw/zinc/16/16/84/346161684.db2.gz FQQCUBCQVBUVAU-ZDUSSCGKSA-N 1 2 280.331 2.104 20 30 CEEDLO Cc1c(Cl)cnc(NC[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000273279698 192098545 /nfs/dbraw/zinc/09/85/45/192098545.db2.gz DDXQVKMDWNUQCH-JTQLQIEISA-N 1 2 294.786 2.048 20 30 CEEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](CC#N)C3)[nH+]c12 ZINC000597911985 346251403 /nfs/dbraw/zinc/25/14/03/346251403.db2.gz SFHIQKOFQPMCCX-AWEZNQCLSA-N 1 2 296.374 2.338 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000599415618 346515577 /nfs/dbraw/zinc/51/55/77/346515577.db2.gz PSNRCLWRJDBAQX-IRXDYDNUSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000599415618 346515579 /nfs/dbraw/zinc/51/55/79/346515579.db2.gz PSNRCLWRJDBAQX-IRXDYDNUSA-N 1 2 286.375 2.247 20 30 CEEDLO Cc1cnccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000599335761 346500392 /nfs/dbraw/zinc/50/03/92/346500392.db2.gz CRJIMJYESGWFMS-INIZCTEOSA-N 1 2 272.396 2.056 20 30 CEEDLO C=CC[N@@H+](CC(=O)N(C)C1CC1)Cc1cccc(C#N)c1 ZINC000063388170 362766602 /nfs/dbraw/zinc/76/66/02/362766602.db2.gz GWAKQVMKNGUUMI-UHFFFAOYSA-N 1 2 283.375 2.167 20 30 CEEDLO C=CC[N@H+](CC(=O)N(C)C1CC1)Cc1cccc(C#N)c1 ZINC000063388170 362766607 /nfs/dbraw/zinc/76/66/07/362766607.db2.gz GWAKQVMKNGUUMI-UHFFFAOYSA-N 1 2 283.375 2.167 20 30 CEEDLO COC(=O)[C@@H]1C[N@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000599680704 346563726 /nfs/dbraw/zinc/56/37/26/346563726.db2.gz QINMVZISZFULPB-CQSZACIVSA-N 1 2 270.332 2.063 20 30 CEEDLO COC(=O)[C@@H]1C[N@@H+](CC2(C#N)CC2)Cc2ccccc21 ZINC000599680704 346563728 /nfs/dbraw/zinc/56/37/28/346563728.db2.gz QINMVZISZFULPB-CQSZACIVSA-N 1 2 270.332 2.063 20 30 CEEDLO N#CC1(C[NH2+]Cc2cnc3ccccc3n2)CCC1 ZINC000600164721 346611266 /nfs/dbraw/zinc/61/12/66/346611266.db2.gz IYXXKHKCYKTTDL-UHFFFAOYSA-N 1 2 252.321 2.413 20 30 CEEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000600215639 346625299 /nfs/dbraw/zinc/62/52/99/346625299.db2.gz QLTZQHSLTQVNPX-MRXNPFEDSA-N 1 2 296.326 2.424 20 30 CEEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000600215639 346625302 /nfs/dbraw/zinc/62/53/02/346625302.db2.gz QLTZQHSLTQVNPX-MRXNPFEDSA-N 1 2 296.326 2.424 20 30 CEEDLO COCCNc1ccc(-c2[nH+]ccn2C)cc1C#N ZINC000600846393 346699502 /nfs/dbraw/zinc/69/95/02/346699502.db2.gz XDQNAQBTLAHBBO-UHFFFAOYSA-N 1 2 256.309 2.017 20 30 CEEDLO Cc1ccc(CCNc2cc(C#N)nc(C3CC3)n2)c[nH+]1 ZINC000601116394 346757786 /nfs/dbraw/zinc/75/77/86/346757786.db2.gz SMJFTDXAJWKMJK-UHFFFAOYSA-N 1 2 279.347 2.006 20 30 CEEDLO Cc1c[nH+]c(CCNc2cc(C#N)nc(C3CC3)n2)c(C)c1 ZINC000601187904 346781218 /nfs/dbraw/zinc/78/12/18/346781218.db2.gz ZODUBGOQKPIYLK-UHFFFAOYSA-N 1 2 293.374 2.314 20 30 CEEDLO CCN(CCC#N)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601009527 346731098 /nfs/dbraw/zinc/73/10/98/346731098.db2.gz QIIZPVMNZKWCIQ-UHFFFAOYSA-N 1 2 268.320 2.452 20 30 CEEDLO Cc1noc([C@H](C)[NH2+][C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602642136 347119230 /nfs/dbraw/zinc/11/92/30/347119230.db2.gz HNFDRCVZGXNAIG-MNOVXSKESA-N 1 2 278.356 2.128 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)n1 ZINC000602661716 347129501 /nfs/dbraw/zinc/12/95/01/347129501.db2.gz KNDMXSNMZXRQKO-HNNXBMFYSA-N 1 2 267.336 2.404 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)n1 ZINC000602661716 347129503 /nfs/dbraw/zinc/12/95/03/347129503.db2.gz KNDMXSNMZXRQKO-HNNXBMFYSA-N 1 2 267.336 2.404 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)n1 ZINC000602670390 347134261 /nfs/dbraw/zinc/13/42/61/347134261.db2.gz FEBSNCMFCKIRTP-INIZCTEOSA-N 1 2 271.364 2.344 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)n1 ZINC000602670390 347134266 /nfs/dbraw/zinc/13/42/66/347134266.db2.gz FEBSNCMFCKIRTP-INIZCTEOSA-N 1 2 271.364 2.344 20 30 CEEDLO N#CCC1(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000602783780 347197380 /nfs/dbraw/zinc/19/73/80/347197380.db2.gz GBSNAKZESDATSB-HNNXBMFYSA-N 1 2 272.348 2.459 20 30 CEEDLO N#CCC1(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000602783780 347197383 /nfs/dbraw/zinc/19/73/83/347197383.db2.gz GBSNAKZESDATSB-HNNXBMFYSA-N 1 2 272.348 2.459 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)C(=O)OC ZINC000602733627 347176661 /nfs/dbraw/zinc/17/66/61/347176661.db2.gz KCEHTZKTRQLENI-HZPDHXFCSA-N 1 2 291.391 2.342 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)C(=O)OC ZINC000602735310 347178238 /nfs/dbraw/zinc/17/82/38/347178238.db2.gz URWJHFKGYFJQPT-GXTWGEPZSA-N 1 2 292.379 2.119 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(F)cc2F)C[C@@H](C)N1CC#N ZINC000602855771 347226194 /nfs/dbraw/zinc/22/61/94/347226194.db2.gz WSSSECKAQBQHDV-VXGBXAGGSA-N 1 2 279.334 2.383 20 30 CEEDLO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)CC#N ZINC000602861108 347228757 /nfs/dbraw/zinc/22/87/57/347228757.db2.gz FWVVIGKEUYUQCL-SECBINFHSA-N 1 2 250.298 2.020 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000602861980 347229341 /nfs/dbraw/zinc/22/93/41/347229341.db2.gz 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/nfs/dbraw/zinc/26/12/25/347261225.db2.gz VYNJMMDTJFMEEJ-ZFWWWQNUSA-N 1 2 277.412 2.449 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602974932 347261228 /nfs/dbraw/zinc/26/12/28/347261228.db2.gz VYNJMMDTJFMEEJ-ZFWWWQNUSA-N 1 2 277.412 2.449 20 30 CEEDLO C[N@H+](CC(=O)NC1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976946 347262077 /nfs/dbraw/zinc/26/20/77/347262077.db2.gz VOQLKFDMDUNTNP-OCCSQVGLSA-N 1 2 263.385 2.059 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602976946 347262081 /nfs/dbraw/zinc/26/20/81/347262081.db2.gz VOQLKFDMDUNTNP-OCCSQVGLSA-N 1 2 263.385 2.059 20 30 CEEDLO C[N@H+](CC[S@](=O)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602976211 347262235 /nfs/dbraw/zinc/26/22/35/347262235.db2.gz MPOHJMVSNAUEFY-WTANOLMUSA-N 1 2 276.405 2.418 20 30 CEEDLO C[N@@H+](CC[S@](=O)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602976211 347262236 /nfs/dbraw/zinc/26/22/36/347262236.db2.gz MPOHJMVSNAUEFY-WTANOLMUSA-N 1 2 276.405 2.418 20 30 CEEDLO 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AMXGLERQHPOVNM-AWEZNQCLSA-N 1 2 287.407 2.481 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433316477 377788763 /nfs/dbraw/zinc/78/87/63/377788763.db2.gz AMXGLERQHPOVNM-AWEZNQCLSA-N 1 2 287.407 2.481 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434387523 377798287 /nfs/dbraw/zinc/79/82/87/377798287.db2.gz XRTXOWBMFUMUJV-LSDHHAIUSA-N 1 2 297.443 2.093 20 30 CEEDLO C=CC[C@@H](C(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000291168236 542230023 /nfs/dbraw/zinc/23/00/23/542230023.db2.gz IQLVGTHHSDXIGN-OAHLLOKOSA-N 1 2 269.348 2.396 20 30 CEEDLO C=CCCCCC[N@@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440770976 377931916 /nfs/dbraw/zinc/93/19/16/377931916.db2.gz MDVJIFWDZWSWSQ-UHFFFAOYSA-N 1 2 291.321 2.414 20 30 CEEDLO C=CCCCCC[N@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440770976 377931919 /nfs/dbraw/zinc/93/19/19/377931919.db2.gz MDVJIFWDZWSWSQ-UHFFFAOYSA-N 1 2 291.321 2.414 20 30 CEEDLO C=CCCOCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294740965 378017905 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ZINC000289298574 395073533 /nfs/dbraw/zinc/07/35/33/395073533.db2.gz VWRMPEZUGXPJIG-QWHCGFSZSA-N 1 2 289.379 2.296 20 30 CEEDLO CC(C)(C#N)C[NH2+]Cc1cccc2c1OCCCO2 ZINC000168917480 395089025 /nfs/dbraw/zinc/08/90/25/395089025.db2.gz MKJDGAQWROHIAI-UHFFFAOYSA-N 1 2 260.337 2.487 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000424061685 395041821 /nfs/dbraw/zinc/04/18/21/395041821.db2.gz FYKSAHMIYCVLHS-ZDUSSCGKSA-N 1 2 297.362 2.157 20 30 CEEDLO CSCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000174120802 395120637 /nfs/dbraw/zinc/12/06/37/395120637.db2.gz BIQKSBUBMPHBBE-UHFFFAOYSA-N 1 2 259.400 2.036 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000376193526 395112582 /nfs/dbraw/zinc/11/25/82/395112582.db2.gz CWIJJNQQAXQIDW-INIZCTEOSA-N 1 2 293.370 2.108 20 30 CEEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccon1 ZINC000349235008 395162756 /nfs/dbraw/zinc/16/27/56/395162756.db2.gz FODZPVHYKFABOY-GFCCVEGCSA-N 1 2 290.367 2.010 20 30 CEEDLO COC[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000177673369 395154473 /nfs/dbraw/zinc/15/44/73/395154473.db2.gz PCMYKLUZLKWTSC-SECBINFHSA-N 1 2 256.733 2.206 20 30 CEEDLO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1nncn1C ZINC000428946989 395156492 /nfs/dbraw/zinc/15/64/92/395156492.db2.gz MHUROJUQASRKLL-CQSZACIVSA-N 1 2 287.342 2.313 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)Nc1cccc(C#N)c1 ZINC000431714478 395169259 /nfs/dbraw/zinc/16/92/59/395169259.db2.gz WDDOIZAQUYRKFR-UHFFFAOYSA-N 1 2 282.303 2.284 20 30 CEEDLO C[C@H](C#N)Oc1ccccc1NCc1[nH+]ccn1C ZINC000182576848 395245687 /nfs/dbraw/zinc/24/56/87/395245687.db2.gz JRLLUCCKDJGFJN-LLVKDONJSA-N 1 2 256.309 2.323 20 30 CEEDLO Cn1c(Cl)cnc1C[N@H+](C)CCCSCC#N ZINC000183248262 395254321 /nfs/dbraw/zinc/25/43/21/395254321.db2.gz BSMLVEYIUFWANG-UHFFFAOYSA-N 1 2 272.805 2.152 20 30 CEEDLO Cn1c(Cl)cnc1C[N@@H+](C)CCCSCC#N ZINC000183248262 395254323 /nfs/dbraw/zinc/25/43/23/395254323.db2.gz BSMLVEYIUFWANG-UHFFFAOYSA-N 1 2 272.805 2.152 20 30 CEEDLO CCc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000517478836 395189469 /nfs/dbraw/zinc/18/94/69/395189469.db2.gz CYZFWKRTJLJLMU-UHFFFAOYSA-N 1 2 296.374 2.431 20 30 CEEDLO C=CC1CCN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000519685005 395207623 /nfs/dbraw/zinc/20/76/23/395207623.db2.gz NOSVEWYTJSIFEV-DGCLKSJQSA-N 1 2 274.368 2.497 20 30 CEEDLO C=CCOc1ccccc1C[N@@H+]1CCn2ccnc2C1 ZINC000352999567 395284193 /nfs/dbraw/zinc/28/41/93/395284193.db2.gz ADEIYYCCPVGBAK-UHFFFAOYSA-N 1 2 269.348 2.464 20 30 CEEDLO C=CCOc1ccccc1C[N@H+]1CCn2ccnc2C1 ZINC000352999567 395284196 /nfs/dbraw/zinc/28/41/96/395284196.db2.gz ADEIYYCCPVGBAK-UHFFFAOYSA-N 1 2 269.348 2.464 20 30 CEEDLO CCC[C@@H](C#N)N(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000410827190 395310767 /nfs/dbraw/zinc/31/07/67/395310767.db2.gz JXRZUKGVWDMWAK-ZDUSSCGKSA-N 1 2 284.363 2.495 20 30 CEEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(C)C ZINC000411195936 395322057 /nfs/dbraw/zinc/32/20/57/395322057.db2.gz TYZUPOKCAODIPH-LBPRGKRZSA-N 1 2 291.351 2.060 20 30 CEEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(C)C ZINC000411195936 395322065 /nfs/dbraw/zinc/32/20/65/395322065.db2.gz TYZUPOKCAODIPH-LBPRGKRZSA-N 1 2 291.351 2.060 20 30 CEEDLO CC[N@H+](CCC1(C#N)CCCCC1)CC(=O)OC ZINC000411227756 395322898 /nfs/dbraw/zinc/32/28/98/395322898.db2.gz LEKFWUJXHPLUNW-UHFFFAOYSA-N 1 2 252.358 2.345 20 30 CEEDLO CC[N@@H+](CCC1(C#N)CCCCC1)CC(=O)OC ZINC000411227756 395322902 /nfs/dbraw/zinc/32/29/02/395322902.db2.gz LEKFWUJXHPLUNW-UHFFFAOYSA-N 1 2 252.358 2.345 20 30 CEEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352450308 395255266 /nfs/dbraw/zinc/25/52/66/395255266.db2.gz RADMLPMYFBBKOO-ZDUSSCGKSA-N 1 2 289.354 2.019 20 30 CEEDLO COC(=O)C(C)(C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411221974 395323182 /nfs/dbraw/zinc/32/31/82/395323182.db2.gz AXJQYQATWUFHMB-UHFFFAOYSA-N 1 2 252.358 2.392 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000352471677 395258907 /nfs/dbraw/zinc/25/89/07/395258907.db2.gz UNXPXOCPYRDIIK-LBPRGKRZSA-N 1 2 261.369 2.164 20 30 CEEDLO COc1cc(CNc2cc[nH+]cc2F)ccc1C#N ZINC000443061049 395398479 /nfs/dbraw/zinc/39/84/79/395398479.db2.gz QRONDOWIRKUDKB-UHFFFAOYSA-N 1 2 257.268 2.135 20 30 CEEDLO CC[C@@H]([NH2+]CCC#N)c1ccccc1OCC(=O)N(C)C ZINC000411447321 395328322 /nfs/dbraw/zinc/32/83/22/395328322.db2.gz JOCZGJNNIJBIEC-CQSZACIVSA-N 1 2 289.379 2.108 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000411554430 395329802 /nfs/dbraw/zinc/32/98/02/395329802.db2.gz QKCUHWHKHPPZRC-CYBMUJFWSA-N 1 2 257.337 2.027 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000411554430 395329804 /nfs/dbraw/zinc/32/98/04/395329804.db2.gz QKCUHWHKHPPZRC-CYBMUJFWSA-N 1 2 257.337 2.027 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C(=O)OC)C1CC1 ZINC000411485003 395330300 /nfs/dbraw/zinc/33/03/00/395330300.db2.gz AHEJJKDQZRDOKS-CQSZACIVSA-N 1 2 263.337 2.262 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C(=O)OC)C1CC1 ZINC000411485003 395330306 /nfs/dbraw/zinc/33/03/06/395330306.db2.gz AHEJJKDQZRDOKS-CQSZACIVSA-N 1 2 263.337 2.262 20 30 CEEDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)ccc1C#N ZINC000442843952 395396280 /nfs/dbraw/zinc/39/62/80/395396280.db2.gz KUPADCVUDKOYOS-INIZCTEOSA-N 1 2 274.364 2.424 20 30 CEEDLO COc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)ccc1C#N ZINC000442843952 395396283 /nfs/dbraw/zinc/39/62/83/395396283.db2.gz KUPADCVUDKOYOS-INIZCTEOSA-N 1 2 274.364 2.424 20 30 CEEDLO COC(=O)c1cc(C[NH+]2CCC(F)(C#N)CC2)cs1 ZINC000411725733 395337296 /nfs/dbraw/zinc/33/72/96/395337296.db2.gz WZVXDSOAHBHBNZ-UHFFFAOYSA-N 1 2 282.340 2.362 20 30 CEEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566442966 395524719 /nfs/dbraw/zinc/52/47/19/395524719.db2.gz MUABJBDQNXWFHZ-GFCCVEGCSA-N 1 2 286.379 2.269 20 30 CEEDLO CO[C@H]1C[C@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCC2 ZINC000449632142 395558342 /nfs/dbraw/zinc/55/83/42/395558342.db2.gz MGIFZFMYCFVQBZ-RYUDHWBXSA-N 1 2 277.393 2.404 20 30 CEEDLO CO[C@H]1C[C@H]([N@@H+](C)Cc2nc(C#N)cs2)C12CCC2 ZINC000449632142 395558344 /nfs/dbraw/zinc/55/83/44/395558344.db2.gz MGIFZFMYCFVQBZ-RYUDHWBXSA-N 1 2 277.393 2.404 20 30 CEEDLO N#CCc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000568899146 395571054 /nfs/dbraw/zinc/57/10/54/395571054.db2.gz LBHGAHDGWRXFLM-CYBMUJFWSA-N 1 2 280.331 2.150 20 30 CEEDLO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]CCC#N)C1=O ZINC000570202215 395581495 /nfs/dbraw/zinc/58/14/95/395581495.db2.gz DLOKKKOUBCTIDW-SWLSCSKDSA-N 1 2 289.354 2.381 20 30 CEEDLO CC[C@H](CC(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570635797 395583122 /nfs/dbraw/zinc/58/31/22/395583122.db2.gz WNJJHVDWMBSDGP-OCCSQVGLSA-N 1 2 253.390 2.019 20 30 CEEDLO Cc1nc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ccc1C#N ZINC000488073405 395667905 /nfs/dbraw/zinc/66/79/05/395667905.db2.gz XBGFMFLGFPUMKS-UHFFFAOYSA-N 1 2 295.321 2.354 20 30 CEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000489468088 395668489 /nfs/dbraw/zinc/66/84/89/395668489.db2.gz HKQMNRCPVKOTCG-CQSZACIVSA-N 1 2 292.404 2.062 20 30 CEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000489468088 395668490 /nfs/dbraw/zinc/66/84/90/395668490.db2.gz HKQMNRCPVKOTCG-CQSZACIVSA-N 1 2 292.404 2.062 20 30 CEEDLO C[C@@H](CNC(=O)/C=C\c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000492085313 395670909 /nfs/dbraw/zinc/67/09/09/395670909.db2.gz DDCKQKLHRSFAAY-AFNCTOJWSA-N 1 2 294.358 2.220 20 30 CEEDLO Clc1ccc(C#CCN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647932447 395777981 /nfs/dbraw/zinc/77/79/81/395777981.db2.gz BIYLWPMZNBQLPL-UHFFFAOYSA-N 1 2 271.751 2.473 20 30 CEEDLO C=C(CNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000649223519 396094506 /nfs/dbraw/zinc/09/45/06/396094506.db2.gz WITDQLJMIDVUOC-HNNXBMFYSA-N 1 2 281.359 2.275 20 30 CEEDLO C#CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000287708246 400321192 /nfs/dbraw/zinc/32/11/92/400321192.db2.gz MXWYBAZNDZGHQD-AWEZNQCLSA-N 1 2 267.332 2.223 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000491682365 400594640 /nfs/dbraw/zinc/59/46/40/400594640.db2.gz RRKVRUHGCFLVBV-SNVBAGLBSA-N 1 2 259.284 2.329 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000491682365 400594643 /nfs/dbraw/zinc/59/46/43/400594643.db2.gz RRKVRUHGCFLVBV-SNVBAGLBSA-N 1 2 259.284 2.329 20 30 CEEDLO CC#CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651331053 401314386 /nfs/dbraw/zinc/31/43/86/401314386.db2.gz NWZTUUBADNHRBQ-HNNXBMFYSA-N 1 2 296.374 2.026 20 30 CEEDLO C=C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651919930 401415456 /nfs/dbraw/zinc/41/54/56/401415456.db2.gz QUZSRHJYANVWCN-AWEZNQCLSA-N 1 2 273.380 2.329 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1C#N ZINC000135157860 286306915 /nfs/dbraw/zinc/30/69/15/286306915.db2.gz UMUKIDDWKWXCIY-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1C#N ZINC000135157860 286306916 /nfs/dbraw/zinc/30/69/16/286306916.db2.gz UMUKIDDWKWXCIY-VXGBXAGGSA-N 1 2 260.337 2.176 20 30 CEEDLO CCOC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000194866586 153266420 /nfs/dbraw/zinc/26/64/20/153266420.db2.gz QQAZVZDBJIVYOU-UHFFFAOYSA-N 1 2 287.363 2.222 20 30 CEEDLO CCOC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000194866586 153266422 /nfs/dbraw/zinc/26/64/22/153266422.db2.gz QQAZVZDBJIVYOU-UHFFFAOYSA-N 1 2 287.363 2.222 20 30 CEEDLO N#Cc1ccnc(NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000367723458 156231430 /nfs/dbraw/zinc/23/14/30/156231430.db2.gz ZLIRXWYXYODCSZ-UHFFFAOYSA-N 1 2 276.303 2.146 20 30 CEEDLO CNC(=O)CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000175035092 165122806 /nfs/dbraw/zinc/12/28/06/165122806.db2.gz KFZHCUXBTIBMRP-UHFFFAOYSA-N 1 2 289.354 2.045 20 30 CEEDLO CCC[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000179643963 165287284 /nfs/dbraw/zinc/28/72/84/165287284.db2.gz JHPVNQBYPUDLBY-GFCCVEGCSA-N 1 2 298.433 2.019 20 30 CEEDLO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000179643963 165287292 /nfs/dbraw/zinc/28/72/92/165287292.db2.gz JHPVNQBYPUDLBY-GFCCVEGCSA-N 1 2 298.433 2.019 20 30 CEEDLO CCOC(=O)N1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000005293593 170083713 /nfs/dbraw/zinc/08/37/13/170083713.db2.gz KTEQAIHZUOUWFU-LFIBNONCSA-N 1 2 276.336 2.432 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@](C)(C#N)C(C)C ZINC000005627772 170121540 /nfs/dbraw/zinc/12/15/40/170121540.db2.gz GRTIRYSYPTVLCB-MRXNPFEDSA-N 1 2 284.363 2.399 20 30 CEEDLO C=CC[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660681641 414934719 /nfs/dbraw/zinc/93/47/19/414934719.db2.gz SJJZYIBUKCTWRJ-ZDUSSCGKSA-N 1 2 288.395 2.446 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cnc(CCC)o2)nn1 ZINC000657486177 414965851 /nfs/dbraw/zinc/96/58/51/414965851.db2.gz SIGOSWSZAMDUAY-UHFFFAOYSA-N 1 2 275.356 2.085 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cncc(F)c2)nn1 ZINC000653613007 415054523 /nfs/dbraw/zinc/05/45/23/415054523.db2.gz QIHLWLLWUNJTJT-NSHDSACASA-N 1 2 275.331 2.239 20 30 CEEDLO C=CCCn1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)nn1 ZINC000653560242 415035146 /nfs/dbraw/zinc/03/51/46/415035146.db2.gz KXHBGSACKGUIGR-VXGBXAGGSA-N 1 2 266.414 2.180 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)COC ZINC000661243018 415154676 /nfs/dbraw/zinc/15/46/76/415154676.db2.gz ICQCYZHGPGNBQQ-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)COC ZINC000661243018 415154679 /nfs/dbraw/zinc/15/46/79/415154679.db2.gz ICQCYZHGPGNBQQ-NSHDSACASA-N 1 2 298.333 2.426 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CCCC)no1)[C@H](C)COC ZINC000661246086 415156838 /nfs/dbraw/zinc/15/68/38/415156838.db2.gz GQPCXUJLTBSEKV-GFCCVEGCSA-N 1 2 267.373 2.435 20 30 CEEDLO C=CC[N@H+](Cc1nc(CCCC)no1)[C@H](C)COC ZINC000661246086 415156845 /nfs/dbraw/zinc/15/68/45/415156845.db2.gz GQPCXUJLTBSEKV-GFCCVEGCSA-N 1 2 267.373 2.435 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000661302891 415191037 /nfs/dbraw/zinc/19/10/37/415191037.db2.gz CYVOTPZINGAKAT-HIFRSBDPSA-N 1 2 290.411 2.397 20 30 CEEDLO C=CCC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccco1 ZINC000658157681 415235811 /nfs/dbraw/zinc/23/58/11/415235811.db2.gz UMIYFYDABJAXOH-LLVKDONJSA-N 1 2 276.340 2.341 20 30 CEEDLO CC#CC[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937866 415526549 /nfs/dbraw/zinc/52/65/49/415526549.db2.gz HLNVISPQFWKMQH-UHFFFAOYSA-N 1 2 285.322 2.472 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665255634 415654604 /nfs/dbraw/zinc/65/46/04/415654604.db2.gz YKXVKFCAOHVWSI-GJZGRUSLSA-N 1 2 297.443 2.141 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665255634 415654607 /nfs/dbraw/zinc/65/46/07/415654607.db2.gz YKXVKFCAOHVWSI-GJZGRUSLSA-N 1 2 297.443 2.141 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1ncc(-c2cccs2)o1 ZINC000662165828 415667149 /nfs/dbraw/zinc/66/71/49/415667149.db2.gz QQZDHCRWOWMJIH-SECBINFHSA-N 1 2 250.323 2.040 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695539 176001883 /nfs/dbraw/zinc/00/18/83/176001883.db2.gz MUWYUQFPJLHMLL-OFQRWUPVSA-N 1 2 288.391 2.139 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695539 176001885 /nfs/dbraw/zinc/00/18/85/176001885.db2.gz MUWYUQFPJLHMLL-OFQRWUPVSA-N 1 2 288.391 2.139 20 30 CEEDLO C=CCOc1ccccc1C[NH2+]Cc1nccn1C ZINC000071140852 176038949 /nfs/dbraw/zinc/03/89/49/176038949.db2.gz XQWBYPJNCTYSMZ-UHFFFAOYSA-N 1 2 257.337 2.275 20 30 CEEDLO CC#CC[NH2+]Cc1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000656432735 415695134 /nfs/dbraw/zinc/69/51/34/415695134.db2.gz UMDLJGMOGDVBRN-UHFFFAOYSA-N 1 2 294.280 2.399 20 30 CEEDLO CCC#C[C@@H](C)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000656579740 415773921 /nfs/dbraw/zinc/77/39/21/415773921.db2.gz WMTBHHREBSVSRN-OLZOCXBDSA-N 1 2 291.420 2.091 20 30 CEEDLO CCC#C[C@@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000656579740 415773928 /nfs/dbraw/zinc/77/39/28/415773928.db2.gz WMTBHHREBSVSRN-OLZOCXBDSA-N 1 2 291.420 2.091 20 30 CEEDLO C=CC[C@@]1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CCC[NH2+]1 ZINC000662588193 415893963 /nfs/dbraw/zinc/89/39/63/415893963.db2.gz RPTVFCPKHXGUQV-INIZCTEOSA-N 1 2 297.362 2.109 20 30 CEEDLO N#CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CCCC1 ZINC000334775068 225316193 /nfs/dbraw/zinc/31/61/93/225316193.db2.gz GPQYIRHWNOGKAN-GFCCVEGCSA-N 1 2 272.352 2.124 20 30 CEEDLO Cc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nc(C)n1 ZINC000329155806 227331282 /nfs/dbraw/zinc/33/12/82/227331282.db2.gz VKAUOKUTKDKDPX-GFCCVEGCSA-N 1 2 285.351 2.009 20 30 CEEDLO COC1(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330050697 228027175 /nfs/dbraw/zinc/02/71/75/228027175.db2.gz MDTLNFBLLOTVLR-LLVKDONJSA-N 1 2 263.341 2.114 20 30 CEEDLO [O-]C(NC1CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330215910 228068650 /nfs/dbraw/zinc/06/86/50/228068650.db2.gz MSGIMJFEZLWIJW-GFCCVEGCSA-N 1 2 262.357 2.034 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCCCC1 ZINC000330215910 228068653 /nfs/dbraw/zinc/06/86/53/228068653.db2.gz MSGIMJFEZLWIJW-GFCCVEGCSA-N 1 2 262.357 2.034 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000332167616 228150815 /nfs/dbraw/zinc/15/08/15/228150815.db2.gz KHYMWTNRHQZQBO-IUODEOHRSA-N 1 2 267.336 2.049 20 30 CEEDLO C=C[C@@H](O)C(=O)Nc1ccc2[nH]c(CCCC)[nH+]c2c1 ZINC000667371039 419649777 /nfs/dbraw/zinc/64/97/77/419649777.db2.gz SWBDWCDFQZKJQQ-CYBMUJFWSA-N 1 2 273.336 2.391 20 30 CEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCN(C)C1=O ZINC000298034670 260141481 /nfs/dbraw/zinc/14/14/81/260141481.db2.gz FYQRELOILVOJGI-AWEZNQCLSA-N 1 2 262.328 2.044 20 30 CEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCN(C)C1=O ZINC000298034670 260141483 /nfs/dbraw/zinc/14/14/83/260141483.db2.gz FYQRELOILVOJGI-AWEZNQCLSA-N 1 2 262.328 2.044 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044662 260329791 /nfs/dbraw/zinc/32/97/91/260329791.db2.gz LYHMVLNAQVQHHB-UHFFFAOYSA-N 1 2 299.418 2.279 20 30 CEEDLO Cc1ccccc1CCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044662 260329793 /nfs/dbraw/zinc/32/97/93/260329793.db2.gz LYHMVLNAQVQHHB-UHFFFAOYSA-N 1 2 299.418 2.279 20 30 CEEDLO CC(C)c1nnc(CO[NH+]=C(N)c2ccc(F)c(F)c2)o1 ZINC000132101397 260885785 /nfs/dbraw/zinc/88/57/85/260885785.db2.gz RZDIXGLTILYYCV-UHFFFAOYSA-N 1 2 296.277 2.308 20 30 CEEDLO CC(C)(C)[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000448361219 261128245 /nfs/dbraw/zinc/12/82/45/261128245.db2.gz GFTNNHIJPWTJMG-OAHLLOKOSA-N 1 2 298.390 2.453 20 30 CEEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000448361219 261128246 /nfs/dbraw/zinc/12/82/46/261128246.db2.gz GFTNNHIJPWTJMG-OAHLLOKOSA-N 1 2 298.390 2.453 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000448792584 261130824 /nfs/dbraw/zinc/13/08/24/261130824.db2.gz DDWHJOMDXZKGKD-ZBEGNZNMSA-N 1 2 298.321 2.177 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1nccn1CC(F)(F)F ZINC000184093697 262009276 /nfs/dbraw/zinc/00/92/76/262009276.db2.gz WJXADWHAUURNJA-VIFPVBQESA-N 1 2 260.263 2.227 20 30 CEEDLO CC[C@@H](CC#N)NCc1[nH+]ccn1CC(F)(F)F ZINC000184093697 262009279 /nfs/dbraw/zinc/00/92/79/262009279.db2.gz WJXADWHAUURNJA-VIFPVBQESA-N 1 2 260.263 2.227 20 30 CEEDLO C[C@@H](c1nccs1)N1CC[NH+](CCCC#N)CC1 ZINC000184628874 262025088 /nfs/dbraw/zinc/02/50/88/262025088.db2.gz KCTPSMUBLNUPRN-LBPRGKRZSA-N 1 2 264.398 2.125 20 30 CEEDLO COc1cc(CC2C[NH+](CCC#N)C2)cc(OC)c1 ZINC000363980239 262075047 /nfs/dbraw/zinc/07/50/47/262075047.db2.gz UYMJFRJLJADTOE-UHFFFAOYSA-N 1 2 260.337 2.092 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488485468 262327973 /nfs/dbraw/zinc/32/79/73/262327973.db2.gz YOPSWFWYGPRLAA-CHWSQXEVSA-N 1 2 276.384 2.242 20 30 CEEDLO C=CC[C@H](C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000365372456 262362109 /nfs/dbraw/zinc/36/21/09/262362109.db2.gz PSCXSVGMJPAFDK-UONOGXRCSA-N 1 2 273.380 2.379 20 30 CEEDLO CCC[C@](C)([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OC ZINC000264638374 262891503 /nfs/dbraw/zinc/89/15/03/262891503.db2.gz UNTMBKLXMAMZEZ-INIZCTEOSA-N 1 2 290.363 2.410 20 30 CEEDLO Cc1cc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)[nH]n1 ZINC000273037247 263011361 /nfs/dbraw/zinc/01/13/61/263011361.db2.gz VYSBVPHXOOXMHU-ZDUSSCGKSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n[nH]1 ZINC000273037247 263011362 /nfs/dbraw/zinc/01/13/62/263011362.db2.gz VYSBVPHXOOXMHU-ZDUSSCGKSA-N 1 2 271.368 2.341 20 30 CEEDLO NC(CCO)=[NH+]OCc1nc(C2CCCCC2)cs1 ZINC000277628497 263042250 /nfs/dbraw/zinc/04/22/50/263042250.db2.gz OVPIWJVBSHZJEF-UHFFFAOYSA-N 1 2 283.397 2.362 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Br)c(C)nn1C ZINC000279792657 263057391 /nfs/dbraw/zinc/05/73/91/263057391.db2.gz IUBPEYAALVNGJY-VIFPVBQESA-N 1 2 285.189 2.273 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000284050614 263085656 /nfs/dbraw/zinc/08/56/56/263085656.db2.gz PTOGSASJRLGHNE-CYBMUJFWSA-N 1 2 250.342 2.402 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000284050614 263085657 /nfs/dbraw/zinc/08/56/57/263085657.db2.gz PTOGSASJRLGHNE-CYBMUJFWSA-N 1 2 250.342 2.402 20 30 CEEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000336561383 263086049 /nfs/dbraw/zinc/08/60/49/263086049.db2.gz ISIZEWZUYVMBRT-VXGBXAGGSA-N 1 2 277.393 2.113 20 30 CEEDLO NC(=[NH+]OCc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000284544146 263087247 /nfs/dbraw/zinc/08/72/47/263087247.db2.gz VRGCTZXHSJJARS-NSHDSACASA-N 1 2 254.717 2.308 20 30 CEEDLO CCOC1CC(CO[NH+]=C(N)c2ccc(F)c(F)c2)C1 ZINC000285048829 263089661 /nfs/dbraw/zinc/08/96/61/263089661.db2.gz GKAICHZMPRAPQH-UHFFFAOYSA-N 1 2 284.306 2.417 20 30 CEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc(OC)c1O ZINC000289157723 263107891 /nfs/dbraw/zinc/10/78/91/263107891.db2.gz QSQNGYZPYMGXCB-SNVBAGLBSA-N 1 2 264.325 2.001 20 30 CEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(OC)c1O ZINC000289157723 263107892 /nfs/dbraw/zinc/10/78/92/263107892.db2.gz QSQNGYZPYMGXCB-SNVBAGLBSA-N 1 2 264.325 2.001 20 30 CEEDLO N#CC1(c2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000290643823 263118042 /nfs/dbraw/zinc/11/80/42/263118042.db2.gz AAYRKYQDUIOGRD-UHFFFAOYSA-N 1 2 292.342 2.094 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000292358168 263131454 /nfs/dbraw/zinc/13/14/54/263131454.db2.gz XTYLYCMCVWZDDO-UHFFFAOYSA-N 1 2 275.308 2.375 20 30 CEEDLO C=CC[N@H+](CCC#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000292358168 263131455 /nfs/dbraw/zinc/13/14/55/263131455.db2.gz XTYLYCMCVWZDDO-UHFFFAOYSA-N 1 2 275.308 2.375 20 30 CEEDLO C=CCOc1cccnc1C(=O)Nc1cc[nH+]cc1CC ZINC000341925498 263366330 /nfs/dbraw/zinc/36/63/30/263366330.db2.gz FHBBRRIPSDYTGV-UHFFFAOYSA-N 1 2 283.331 2.278 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000328937423 263893895 /nfs/dbraw/zinc/89/38/95/263893895.db2.gz GHKCYOSMXNEIAX-AAVRWANBSA-N 1 2 296.411 2.057 20 30 CEEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)sc1C ZINC000330817148 264046578 /nfs/dbraw/zinc/04/65/78/264046578.db2.gz GKSHUEIGKIFOKI-DLOVCJGASA-N 1 2 292.408 2.369 20 30 CEEDLO C[C@@H]1CC[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000331231770 264153042 /nfs/dbraw/zinc/15/30/42/264153042.db2.gz QTNCGJLWSQZZTJ-YPMHNXCESA-N 1 2 276.384 2.340 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)N(C)c1ccccc1 ZINC000331339745 264194254 /nfs/dbraw/zinc/19/42/54/264194254.db2.gz JTGCPMZZQZUGQK-KCQAQPDRSA-N 1 2 271.364 2.320 20 30 CEEDLO Cc1coc(C)c1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331353797 264207468 /nfs/dbraw/zinc/20/74/68/264207468.db2.gz PERRWDIFUSTXEA-UHFFFAOYSA-N 1 2 280.368 2.312 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccn(C)n1 ZINC000425369257 264213212 /nfs/dbraw/zinc/21/32/12/264213212.db2.gz ZSBKEUDHRKBRPV-GFCCVEGCSA-N 1 2 254.337 2.485 20 30 CEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(C)n1 ZINC000425369257 264213214 /nfs/dbraw/zinc/21/32/14/264213214.db2.gz ZSBKEUDHRKBRPV-GFCCVEGCSA-N 1 2 254.337 2.485 20 30 CEEDLO C#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000282129379 264496474 /nfs/dbraw/zinc/49/64/74/264496474.db2.gz PGPXYZSYBFBDDN-INIZCTEOSA-N 1 2 281.359 2.319 20 30 CEEDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000514659258 266030025 /nfs/dbraw/zinc/03/00/25/266030025.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000514659258 266030027 /nfs/dbraw/zinc/03/00/27/266030027.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000514659258 266030030 /nfs/dbraw/zinc/03/00/30/266030030.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000514659258 266030032 /nfs/dbraw/zinc/03/00/32/266030032.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)n[nH]1 ZINC000514659258 266030034 /nfs/dbraw/zinc/03/00/34/266030034.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)n[nH]1 ZINC000514659258 266030037 /nfs/dbraw/zinc/03/00/37/266030037.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 1 2 285.326 2.113 20 30 CEEDLO C=C(C)CN(CC)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357809513 266369371 /nfs/dbraw/zinc/36/93/71/266369371.db2.gz WNRAKZMXPABSFM-ZDUSSCGKSA-N 1 2 276.384 2.479 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)OC ZINC000361107470 266784402 /nfs/dbraw/zinc/78/44/02/266784402.db2.gz ILBQKZMKHRLSNR-DOMZBBRYSA-N 1 2 295.354 2.091 20 30 CEEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000362582125 267010219 /nfs/dbraw/zinc/01/02/19/267010219.db2.gz VCMMENLYWNESEV-CYBMUJFWSA-N 1 2 290.382 2.412 20 30 CEEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000362582125 267010222 /nfs/dbraw/zinc/01/02/22/267010222.db2.gz VCMMENLYWNESEV-CYBMUJFWSA-N 1 2 290.382 2.412 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000459510271 267069847 /nfs/dbraw/zinc/06/98/47/267069847.db2.gz ZALWDCWQXNDKHJ-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000459510271 267069849 /nfs/dbraw/zinc/06/98/49/267069849.db2.gz ZALWDCWQXNDKHJ-LBPRGKRZSA-N 1 2 275.308 2.077 20 30 CEEDLO CC[N@H+](Cc1cnn(C)c1)Cc1cccc(F)c1C#N ZINC000428232885 267071256 /nfs/dbraw/zinc/07/12/56/267071256.db2.gz WKXMNBSQODFKRU-UHFFFAOYSA-N 1 2 272.327 2.453 20 30 CEEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(F)c1C#N ZINC000428232885 267071258 /nfs/dbraw/zinc/07/12/58/267071258.db2.gz WKXMNBSQODFKRU-UHFFFAOYSA-N 1 2 272.327 2.453 20 30 CEEDLO COC(=O)c1ccoc1CC1CC[NH+](CCC#N)CC1 ZINC000363151246 267077178 /nfs/dbraw/zinc/07/71/78/267077178.db2.gz DITVCLRSGSFHTI-UHFFFAOYSA-N 1 2 276.336 2.234 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000495195425 267198945 /nfs/dbraw/zinc/19/89/45/267198945.db2.gz ONJKPCHRKLWPDT-OAHLLOKOSA-N 1 2 271.364 2.001 20 30 CEEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000495195425 267198946 /nfs/dbraw/zinc/19/89/46/267198946.db2.gz ONJKPCHRKLWPDT-OAHLLOKOSA-N 1 2 271.364 2.001 20 30 CEEDLO N#CC1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000117769242 267221968 /nfs/dbraw/zinc/22/19/68/267221968.db2.gz PJAVKHDPLMABHW-UHFFFAOYSA-N 1 2 266.304 2.048 20 30 CEEDLO C=CCCC[N@@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000369410193 267240359 /nfs/dbraw/zinc/24/03/59/267240359.db2.gz BODLZNBDAUNGSY-INIZCTEOSA-N 1 2 298.390 2.082 20 30 CEEDLO C=CCCC[N@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000369410193 267240362 /nfs/dbraw/zinc/24/03/62/267240362.db2.gz BODLZNBDAUNGSY-INIZCTEOSA-N 1 2 298.390 2.082 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CCC#N)C2 ZINC000369645314 267257194 /nfs/dbraw/zinc/25/71/94/267257194.db2.gz CCVSEKSRROMGMW-LLVKDONJSA-N 1 2 274.368 2.010 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CCC#N)CC2 ZINC000369645314 267257197 /nfs/dbraw/zinc/25/71/97/267257197.db2.gz CCVSEKSRROMGMW-LLVKDONJSA-N 1 2 274.368 2.010 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1nn(C(C)C)cc1C#N ZINC000492486874 267257221 /nfs/dbraw/zinc/25/72/21/267257221.db2.gz BZLMEKYPSULHSP-WAYWQWQTSA-N 1 2 298.350 2.204 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C#N)c(C)n1 ZINC000450832982 267257881 /nfs/dbraw/zinc/25/78/81/267257881.db2.gz SHJXISCENCBFQR-LLVKDONJSA-N 1 2 255.325 2.073 20 30 CEEDLO COC(=O)c1ccc(NCc2c[nH+]c(C)cc2C)c(C#N)n1 ZINC000521899085 267412546 /nfs/dbraw/zinc/41/25/46/267412546.db2.gz 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/nfs/dbraw/zinc/19/57/80/268195780.db2.gz AYOSRXXPRZSTDZ-GFCCVEGCSA-N 1 2 272.283 2.152 20 30 CEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](F)C3)o2)cc1 ZINC000451179721 268195783 /nfs/dbraw/zinc/19/57/83/268195783.db2.gz AYOSRXXPRZSTDZ-GFCCVEGCSA-N 1 2 272.283 2.152 20 30 CEEDLO N#Cc1cccc(CC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000530908774 268274297 /nfs/dbraw/zinc/27/42/97/268274297.db2.gz HUWUZOXYIWCXJR-UHFFFAOYSA-N 1 2 294.358 2.114 20 30 CEEDLO CCc1[nH+]c(C)ccc1OCc1ncc(C#N)cn1 ZINC000418997026 270418747 /nfs/dbraw/zinc/41/87/47/270418747.db2.gz REIHTSHCFWNGCB-UHFFFAOYSA-N 1 2 254.293 2.193 20 30 CEEDLO CCC1(CC)CN(c2cc(C)[nH+]cc2C#N)CC[S@]1=O ZINC000425238213 271143751 /nfs/dbraw/zinc/14/37/51/271143751.db2.gz IMQDLLINFACTGM-HXUWFJFHSA-N 1 2 291.420 2.389 20 30 CEEDLO COc1cccc(COCCNc2cc(C)[nH+]cc2C#N)c1 ZINC000425244963 271144596 /nfs/dbraw/zinc/14/45/96/271144596.db2.gz IFKGXQJZFWUUKM-UHFFFAOYSA-N 1 2 297.358 2.321 20 30 CEEDLO COC(=O)[C@@]1(C)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425267030 271150211 /nfs/dbraw/zinc/15/02/11/271150211.db2.gz KKLUHOKJCDKCIZ-HNNXBMFYSA-N 1 2 273.336 2.041 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNc1nccc(C#N)c1Cl ZINC000429203996 271312825 /nfs/dbraw/zinc/31/28/25/271312825.db2.gz WZXVLWZUGADTFC-UHFFFAOYSA-N 1 2 289.770 2.493 20 30 CEEDLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329456561 277059845 /nfs/dbraw/zinc/05/98/45/277059845.db2.gz NJRYGOWCXOKEOW-SNVBAGLBSA-N 1 2 296.396 2.114 20 30 CEEDLO C[N@H+]1CCC[C@@H]1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000329456561 277059846 /nfs/dbraw/zinc/05/98/46/277059846.db2.gz NJRYGOWCXOKEOW-SNVBAGLBSA-N 1 2 296.396 2.114 20 30 CEEDLO N#Cc1cc2c(nc1N1CCn3cc[nH+]c3C1)CCCC2 ZINC000062255518 294891772 /nfs/dbraw/zinc/89/17/72/294891772.db2.gz FOKCBNVKENQPNY-UHFFFAOYSA-N 1 2 279.347 2.049 20 30 CEEDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(F)(C#N)CC1 ZINC000352489979 298185920 /nfs/dbraw/zinc/18/59/20/298185920.db2.gz FLYYRNIAGRJDPA-MCIONIFRSA-N 1 2 295.402 2.397 20 30 CEEDLO CC(C)OC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000546029143 298345662 /nfs/dbraw/zinc/34/56/62/298345662.db2.gz KWZRANWRVBONDR-ZDUSSCGKSA-N 1 2 280.393 2.246 20 30 CEEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000546029143 298345665 /nfs/dbraw/zinc/34/56/65/298345665.db2.gz KWZRANWRVBONDR-ZDUSSCGKSA-N 1 2 280.393 2.246 20 30 CEEDLO C[C@@H](CC(=O)Nc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000551912957 298463434 /nfs/dbraw/zinc/46/34/34/298463434.db2.gz LTYGUZRGMPPNNF-NSHDSACASA-N 1 2 254.293 2.345 20 30 CEEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000556956837 298562479 /nfs/dbraw/zinc/56/24/79/298562479.db2.gz SHVDXTVSUHKYFF-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000567327782 299053043 /nfs/dbraw/zinc/05/30/43/299053043.db2.gz ABGSUZCNNSFZNI-MRXNPFEDSA-N 1 2 281.363 2.414 20 30 CEEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567327782 299053045 /nfs/dbraw/zinc/05/30/45/299053045.db2.gz ABGSUZCNNSFZNI-MRXNPFEDSA-N 1 2 281.363 2.414 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCC2CCC2)cc1OC ZINC000157983042 327622096 /nfs/dbraw/zinc/62/20/96/327622096.db2.gz CEKMVVNUNWJYTD-UHFFFAOYSA-N 1 2 264.325 2.141 20 30 CEEDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000575320440 314217204 /nfs/dbraw/zinc/21/72/04/314217204.db2.gz UJGLTXBEJASWMM-HNNXBMFYSA-N 1 2 289.335 2.323 20 30 CEEDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000575320440 314217206 /nfs/dbraw/zinc/21/72/06/314217206.db2.gz UJGLTXBEJASWMM-HNNXBMFYSA-N 1 2 289.335 2.323 20 30 CEEDLO CC(C)(C#N)CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891362 649864800 /nfs/dbraw/zinc/86/48/00/649864800.db2.gz MRZVIZKSADPQDO-CQSZACIVSA-N 1 2 289.354 2.238 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000365461125 327937071 /nfs/dbraw/zinc/93/70/71/327937071.db2.gz LKPPJMWBAKLPSS-MRXNPFEDSA-N 1 2 293.370 2.178 20 30 CEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CCC2)CC1=O ZINC000264384201 328159220 /nfs/dbraw/zinc/15/92/20/328159220.db2.gz KFSHULIXLIRVEI-UHFFFAOYSA-N 1 2 296.374 2.199 20 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2.277 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCCC#N ZINC000273001949 328202779 /nfs/dbraw/zinc/20/27/79/328202779.db2.gz HPSLOMYDFPLODN-UHFFFAOYSA-N 1 2 270.336 2.019 20 30 CEEDLO CC#CCO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000274222805 328209693 /nfs/dbraw/zinc/20/96/93/328209693.db2.gz ODEZECOSMOFHND-UHFFFAOYSA-N 1 2 282.727 2.017 20 30 CEEDLO CO/N=C/C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000282867788 328243781 /nfs/dbraw/zinc/24/37/81/328243781.db2.gz DGCUSXLJDJPWAB-MHWRWJLKSA-N 1 2 286.335 2.333 20 30 CEEDLO NC(=[NH+]OCc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000284449740 328245868 /nfs/dbraw/zinc/24/58/68/328245868.db2.gz PWSYIGIKVZCBAI-NSHDSACASA-N 1 2 272.707 2.447 20 30 CEEDLO CCC(CC)n1ccc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284436389 328245928 /nfs/dbraw/zinc/24/59/28/328245928.db2.gz OZNDANUWQOSICU-CYBMUJFWSA-N 1 2 280.372 2.212 20 30 CEEDLO C=CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1CC1 ZINC000357549126 327018836 /nfs/dbraw/zinc/01/88/36/327018836.db2.gz DGRQBGYJYBLJLV-UHFFFAOYSA-N 1 2 283.375 2.273 20 30 CEEDLO C=CC[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1CC1 ZINC000357549126 327018837 /nfs/dbraw/zinc/01/88/37/327018837.db2.gz DGRQBGYJYBLJLV-UHFFFAOYSA-N 1 2 283.375 2.273 20 30 CEEDLO CCOc1ncccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000558506720 327099761 /nfs/dbraw/zinc/09/97/61/327099761.db2.gz JVUDJEQMPZKTHF-LBPRGKRZSA-N 1 2 258.325 2.013 20 30 CEEDLO CC1(C)C[NH+](CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000584241192 327125099 /nfs/dbraw/zinc/12/50/99/327125099.db2.gz FQWNJFRXPLRJJP-INIZCTEOSA-N 1 2 297.402 2.394 20 30 CEEDLO CCc1noc(C)c1CO[NH+]=C(N)c1cccc(OC)c1 ZINC000123481392 327375049 /nfs/dbraw/zinc/37/50/49/327375049.db2.gz PKDNKZBLJBZSPX-UHFFFAOYSA-N 1 2 289.335 2.391 20 30 CEEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000154202820 327378792 /nfs/dbraw/zinc/37/87/92/327378792.db2.gz SOOUJWQIXBHDLC-CYBMUJFWSA-N 1 2 273.384 2.445 20 30 CEEDLO N#CCCC[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000154202820 327378793 /nfs/dbraw/zinc/37/87/93/327378793.db2.gz SOOUJWQIXBHDLC-CYBMUJFWSA-N 1 2 273.384 2.445 20 30 CEEDLO Cc1cn2cc(NC(=O)NCC3(C#N)CC3)ccc2[nH+]1 ZINC000514647615 328843874 /nfs/dbraw/zinc/84/38/74/328843874.db2.gz GUXXFVHRMHYNCF-UHFFFAOYSA-N 1 2 269.308 2.068 20 30 CEEDLO CC[C@@H](C)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000173547860 329148789 /nfs/dbraw/zinc/14/87/89/329148789.db2.gz NJPVZRVCXRLWKW-CYBMUJFWSA-N 1 2 253.390 2.163 20 30 CEEDLO CC[C@@H](C)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000173547860 329148790 /nfs/dbraw/zinc/14/87/90/329148790.db2.gz NJPVZRVCXRLWKW-CYBMUJFWSA-N 1 2 253.390 2.163 20 30 CEEDLO CN(C(=O)C[N@H+](CCC#N)CC1CC1)C1CCCCC1 ZINC000176252680 329172823 /nfs/dbraw/zinc/17/28/23/329172823.db2.gz FMQNFJGARXSNSC-UHFFFAOYSA-N 1 2 277.412 2.403 20 30 CEEDLO CN(C(=O)C[N@@H+](CCC#N)CC1CC1)C1CCCCC1 ZINC000176252680 329172824 /nfs/dbraw/zinc/17/28/24/329172824.db2.gz FMQNFJGARXSNSC-UHFFFAOYSA-N 1 2 277.412 2.403 20 30 CEEDLO C[C@@H](CCC#N)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000582968815 329296041 /nfs/dbraw/zinc/29/60/41/329296041.db2.gz 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C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000491789719 332351924 /nfs/dbraw/zinc/35/19/24/332351924.db2.gz ZYWYDEIWRKPOKE-SECBINFHSA-N 1 2 275.739 2.442 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC(CC#N)CC1 ZINC000492411543 332396185 /nfs/dbraw/zinc/39/61/85/332396185.db2.gz UECCYMXRQGBDDH-ONEGZZNKSA-N 1 2 272.352 2.068 20 30 CEEDLO COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000575741521 335110927 /nfs/dbraw/zinc/11/09/27/335110927.db2.gz MMGAMYQRKRLJTN-DZGCQCFKSA-N 1 2 257.337 2.407 20 30 CEEDLO CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)C[C@H](C)C#N ZINC000184491236 333129360 /nfs/dbraw/zinc/12/93/60/333129360.db2.gz MQFRIICRYZKDJZ-LLVKDONJSA-N 1 2 287.367 2.365 20 30 CEEDLO CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)C[C@H](C)C#N ZINC000184491236 333129361 /nfs/dbraw/zinc/12/93/61/333129361.db2.gz MQFRIICRYZKDJZ-LLVKDONJSA-N 1 2 287.367 2.365 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000227353818 333281629 /nfs/dbraw/zinc/28/16/29/333281629.db2.gz RXTXRFBTFCTODB-UHFFFAOYSA-N 1 2 257.337 2.251 20 30 CEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1c[nH+]cn1C ZINC000548190876 334145950 /nfs/dbraw/zinc/14/59/50/334145950.db2.gz OVAPCKYSFOKMII-UHFFFAOYSA-N 1 2 299.374 2.186 20 30 CEEDLO COCCCOc1cc(C)ccc1C[NH2+]CCC#N ZINC000566733349 334662080 /nfs/dbraw/zinc/66/20/80/334662080.db2.gz QSDNQMALYYKIAP-UHFFFAOYSA-N 1 2 262.353 2.414 20 30 CEEDLO COCc1cc(C[NH2+]Cc2ccc(CC#N)cc2)no1 ZINC000567589349 334737598 /nfs/dbraw/zinc/73/75/98/334737598.db2.gz GSBLBCHSGDFYRC-UHFFFAOYSA-N 1 2 271.320 2.177 20 30 CEEDLO CC[C@H](OC1CCCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576644026 335229980 /nfs/dbraw/zinc/22/99/80/335229980.db2.gz AGHXSOFRYTYKLV-HOCLYGCPSA-N 1 2 295.427 2.074 20 30 CEEDLO CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nccs1 ZINC000185062781 335945277 /nfs/dbraw/zinc/94/52/77/335945277.db2.gz UWMFBJZTMXVTRZ-SMDDNHRTSA-N 1 2 294.424 2.238 20 30 CEEDLO Cc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)o1 ZINC000595501486 501000729 /nfs/dbraw/zinc/00/07/29/501000729.db2.gz KZJORBSWGSXVQV-AWEZNQCLSA-N 1 2 298.346 2.211 20 30 CEEDLO Cc1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)o1 ZINC000595501486 501000731 /nfs/dbraw/zinc/00/07/31/501000731.db2.gz KZJORBSWGSXVQV-AWEZNQCLSA-N 1 2 298.346 2.211 20 30 CEEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000352544706 533795137 /nfs/dbraw/zinc/79/51/37/533795137.db2.gz CLKVALWPDCQZGT-SNVBAGLBSA-N 1 2 263.297 2.337 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000352544706 533795141 /nfs/dbraw/zinc/79/51/41/533795141.db2.gz CLKVALWPDCQZGT-SNVBAGLBSA-N 1 2 263.297 2.337 20 30 CEEDLO C=CC[N@@H+](CC(=O)NCCC)Cc1cccc(C#N)c1 ZINC000049470196 518756047 /nfs/dbraw/zinc/75/60/47/518756047.db2.gz MMFORVMSTJNZCS-UHFFFAOYSA-N 1 2 271.364 2.072 20 30 CEEDLO C=CC[N@H+](CC(=O)NCCC)Cc1cccc(C#N)c1 ZINC000049470196 518756051 /nfs/dbraw/zinc/75/60/51/518756051.db2.gz MMFORVMSTJNZCS-UHFFFAOYSA-N 1 2 271.364 2.072 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H](C)CC#N ZINC000352057285 534677071 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CC[C@H]([NH2+][C@H]1CCN(CC)C1)c1cccc(C#N)c1O ZINC000926592874 625208917 /nfs/dbraw/zinc/20/89/17/625208917.db2.gz ANXJVQSKEBJKJM-ZFWWWQNUSA-N 1 2 273.380 2.399 20 30 CEEDLO CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(C#N)c1O ZINC000926784717 627360300 /nfs/dbraw/zinc/36/03/00/627360300.db2.gz XWTIIEJZMPYGSM-NWDGAFQWSA-N 1 2 284.306 2.321 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000678049570 627750757 /nfs/dbraw/zinc/75/07/57/627750757.db2.gz LVNAEFSIBDHLTK-VXGBXAGGSA-N 1 2 253.367 2.058 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000678049570 627750759 /nfs/dbraw/zinc/75/07/59/627750759.db2.gz LVNAEFSIBDHLTK-VXGBXAGGSA-N 1 2 253.367 2.058 20 30 CEEDLO COc1cccc(OCCO[NH+]=C(N)c2ccccc2)c1 ZINC000179234616 628045697 /nfs/dbraw/zinc/04/56/97/628045697.db2.gz MSKKXOQMZRAGRD-UHFFFAOYSA-N 1 2 286.331 2.411 20 30 CEEDLO C#Cc1ccc(NC(=O)CC[N@H+](CC=C)CCC#N)cc1 ZINC000930542626 628073608 /nfs/dbraw/zinc/07/36/08/628073608.db2.gz XJPYGLXILFXUSI-UHFFFAOYSA-N 1 2 281.359 2.398 20 30 CEEDLO C#Cc1ccc(NC(=O)CC[N@@H+](CC=C)CCC#N)cc1 ZINC000930542626 628073612 /nfs/dbraw/zinc/07/36/12/628073612.db2.gz XJPYGLXILFXUSI-UHFFFAOYSA-N 1 2 281.359 2.398 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000821092069 634629497 /nfs/dbraw/zinc/62/94/97/634629497.db2.gz NSTFBXHSRNIQCC-VXGBXAGGSA-N 1 2 266.304 2.332 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000821092069 634629500 /nfs/dbraw/zinc/62/95/00/634629500.db2.gz NSTFBXHSRNIQCC-VXGBXAGGSA-N 1 2 266.304 2.332 20 30 CEEDLO O=C(Nc1cnn(C(F)F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329502699 628324136 /nfs/dbraw/zinc/32/41/36/628324136.db2.gz KUJIHSQLOAFHAC-MRVPVSSYSA-N 1 2 281.266 2.325 20 30 CEEDLO C#CC[C@H]([NH2+][C@H](C)c1cnn(C)n1)c1ccccc1 ZINC000925635961 628333059 /nfs/dbraw/zinc/33/30/59/628333059.db2.gz VWDBIFKBLLDMNO-OCCSQVGLSA-N 1 2 254.337 2.230 20 30 CEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001009541798 628617362 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ZINC000896501056 630582690 /nfs/dbraw/zinc/58/26/90/630582690.db2.gz MPBYXRUFSOLNIP-LLVKDONJSA-N 1 2 276.336 2.145 20 30 CEEDLO C#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C(C)C ZINC000928623575 630623386 /nfs/dbraw/zinc/62/33/86/630623386.db2.gz OOXHSYZXSLVAFQ-UHFFFAOYSA-N 1 2 283.331 2.062 20 30 CEEDLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1 ZINC000896650996 630625106 /nfs/dbraw/zinc/62/51/06/630625106.db2.gz OSJBNLLKXBYXSV-AWEZNQCLSA-N 1 2 296.378 2.061 20 30 CEEDLO Cc1c[nH]c(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1 ZINC000896650996 630625109 /nfs/dbraw/zinc/62/51/09/630625109.db2.gz OSJBNLLKXBYXSV-AWEZNQCLSA-N 1 2 296.378 2.061 20 30 CEEDLO C#CCCOc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000896910314 630792078 /nfs/dbraw/zinc/79/20/78/630792078.db2.gz PXNBWFOLPRXJOV-UHFFFAOYSA-N 1 2 297.358 2.359 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897072458 630918656 /nfs/dbraw/zinc/91/86/56/630918656.db2.gz OSYYLRKHXAPCSY-WALBABNVSA-N 1 2 284.359 2.462 20 30 CEEDLO O=C1C=C([NH2+]Nc2ccccc2F)[C@H]2CCCCN12 ZINC000799476642 631030731 /nfs/dbraw/zinc/03/07/31/631030731.db2.gz PUFUUVOARLIHHD-CYBMUJFWSA-N 1 2 261.300 2.378 20 30 CEEDLO C#C[C@H]1CCCCN1c1nc(N2CCCC2)cc[nH+]1 ZINC000897360465 631186047 /nfs/dbraw/zinc/18/60/47/631186047.db2.gz HMXWKERKHDBZAH-ZDUSSCGKSA-N 1 2 256.353 2.069 20 30 CEEDLO CC#CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801178358 631230857 /nfs/dbraw/zinc/23/08/57/631230857.db2.gz MLJDGQWFSKKYCT-HIFRSBDPSA-N 1 2 294.757 2.364 20 30 CEEDLO CC#CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801178358 631230862 /nfs/dbraw/zinc/23/08/62/631230862.db2.gz MLJDGQWFSKKYCT-HIFRSBDPSA-N 1 2 294.757 2.364 20 30 CEEDLO CC[C@H](C)[C@H]([NH2+]CCO[C@@H](C)C#N)C(=O)OC(C)(C)C ZINC000801938063 631362621 /nfs/dbraw/zinc/36/26/21/631362621.db2.gz CILSTTQDJJFZAK-AVGNSLFASA-N 1 2 284.400 2.261 20 30 CEEDLO C#C[C@H](CCC)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000806361276 631735852 /nfs/dbraw/zinc/73/58/52/631735852.db2.gz MLZJVDMBHRATDI-GFCCVEGCSA-N 1 2 274.368 2.379 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897650973 631851738 /nfs/dbraw/zinc/85/17/38/631851738.db2.gz RJTOCOBTBVJJRC-RISCZKNCSA-N 1 2 276.384 2.261 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897650973 631851743 /nfs/dbraw/zinc/85/17/43/631851743.db2.gz RJTOCOBTBVJJRC-RISCZKNCSA-N 1 2 276.384 2.261 20 30 CEEDLO C[C@H](C#N)COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810635344 632247207 /nfs/dbraw/zinc/24/72/07/632247207.db2.gz VDVSILWUMVMXMD-CYBMUJFWSA-N 1 2 283.331 2.177 20 30 CEEDLO C#C[C@@H](CC)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810678638 632256018 /nfs/dbraw/zinc/25/60/18/632256018.db2.gz DYVOILKDMGRBHY-INIZCTEOSA-N 1 2 282.343 2.429 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)C1CC1 ZINC000811762809 632441074 /nfs/dbraw/zinc/44/10/74/632441074.db2.gz ROEGGQPVXROAIH-KBPBESRZSA-N 1 2 278.396 2.010 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)C1CC1 ZINC000811762809 632441081 /nfs/dbraw/zinc/44/10/81/632441081.db2.gz ROEGGQPVXROAIH-KBPBESRZSA-N 1 2 278.396 2.010 20 30 CEEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1csc(N)n1 ZINC000812457399 632532665 /nfs/dbraw/zinc/53/26/65/632532665.db2.gz INZKIVFBYIQEGL-UHFFFAOYSA-N 1 2 257.322 2.433 20 30 CEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCC#N ZINC000813235843 632654176 /nfs/dbraw/zinc/65/41/76/632654176.db2.gz BNCHWQPOGASZMI-GFCCVEGCSA-N 1 2 262.357 2.108 20 30 CEEDLO CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C#N)c1O ZINC000924746057 632665141 /nfs/dbraw/zinc/66/51/41/632665141.db2.gz XTPWGPWMXPAJTG-ZFWWWQNUSA-N 1 2 273.380 2.399 20 30 CEEDLO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000814670067 632878006 /nfs/dbraw/zinc/87/80/06/632878006.db2.gz KXTTUQCFGNWPGM-CYBMUJFWSA-N 1 2 277.324 2.110 20 30 CEEDLO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000814670067 632878009 /nfs/dbraw/zinc/87/80/09/632878009.db2.gz KXTTUQCFGNWPGM-CYBMUJFWSA-N 1 2 277.324 2.110 20 30 CEEDLO Cc1nccc(C=NNc2cc[nH+]c3ccccc23)n1 ZINC000814841504 632905969 /nfs/dbraw/zinc/90/59/69/632905969.db2.gz PSFGIMAJMAHAJK-UHFFFAOYSA-N 1 2 263.304 2.201 20 30 CEEDLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000815016192 632949419 /nfs/dbraw/zinc/94/94/19/632949419.db2.gz UOIYPXNBFXOCIP-NEPJUHHUSA-N 1 2 282.347 2.459 20 30 CEEDLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000815016192 632949425 /nfs/dbraw/zinc/94/94/25/632949425.db2.gz UOIYPXNBFXOCIP-NEPJUHHUSA-N 1 2 282.347 2.459 20 30 CEEDLO C=CCC(F)(F)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000815019189 632950582 /nfs/dbraw/zinc/95/05/82/632950582.db2.gz JAAKUXNGLNXGKC-UHFFFAOYSA-N 1 2 295.333 2.378 20 30 CEEDLO CCCCCCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000816530866 633407543 /nfs/dbraw/zinc/40/75/43/633407543.db2.gz XZYYTPIDESDCMG-MRXNPFEDSA-N 1 2 295.471 2.243 20 30 CEEDLO CCCCCCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000816530866 633407549 /nfs/dbraw/zinc/40/75/49/633407549.db2.gz XZYYTPIDESDCMG-MRXNPFEDSA-N 1 2 295.471 2.243 20 30 CEEDLO C=CCN(Cc1ccccc1F)C(=O)Cc1[nH]cc[nH+]1 ZINC000816895434 633484163 /nfs/dbraw/zinc/48/41/63/633484163.db2.gz KOZFEGIPYLQYRB-UHFFFAOYSA-N 1 2 273.311 2.306 20 30 CEEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000900405185 633705092 /nfs/dbraw/zinc/70/50/92/633705092.db2.gz SFLBOWXMQGCFNF-HJWRWDBZSA-N 1 2 298.386 2.041 20 30 CEEDLO C=C[C@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901017302 633920674 /nfs/dbraw/zinc/92/06/74/633920674.db2.gz HBDLDVWABDBHCH-ZDUSSCGKSA-N 1 2 284.363 2.300 20 30 CEEDLO CC(C)Cc1ccc(C=NNCCCn2cc[nH+]c2)cn1 ZINC000901261673 634026075 /nfs/dbraw/zinc/02/60/75/634026075.db2.gz LZDMNEGADLFRAR-UHFFFAOYSA-N 1 2 285.395 2.490 20 30 CEEDLO CCOc1cc(C)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819419091 634176337 /nfs/dbraw/zinc/17/63/37/634176337.db2.gz YDCSEXIFOIPARN-CQSZACIVSA-N 1 2 291.395 2.012 20 30 CEEDLO CCOc1cc(C)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819419091 634176341 /nfs/dbraw/zinc/17/63/41/634176341.db2.gz YDCSEXIFOIPARN-CQSZACIVSA-N 1 2 291.395 2.012 20 30 CEEDLO C=CC[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)C(=O)OC ZINC000901631002 634217637 /nfs/dbraw/zinc/21/76/37/634217637.db2.gz RRKASCFJIVKOAH-STQMWFEESA-N 1 2 267.369 2.186 20 30 CEEDLO C#C[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819931437 634289069 /nfs/dbraw/zinc/28/90/69/634289069.db2.gz NVQVBYNTBYDAGX-GXTWGEPZSA-N 1 2 267.332 2.070 20 30 CEEDLO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccn(C)n1 ZINC000903016842 634926616 /nfs/dbraw/zinc/92/66/16/634926616.db2.gz IIBOOHCBGJDNAD-QWRGUYRKSA-N 1 2 255.325 2.099 20 30 CEEDLO COC(=O)c1coc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903032898 634939304 /nfs/dbraw/zinc/93/93/04/634939304.db2.gz MCYWRGAVTGQVKY-JTQLQIEISA-N 1 2 262.309 2.411 20 30 CEEDLO C#C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(C)C ZINC000822665980 634967953 /nfs/dbraw/zinc/96/79/53/634967953.db2.gz BALQJRCCIPPLGQ-ZIAGYGMSSA-N 1 2 261.369 2.244 20 30 CEEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726705 634981943 /nfs/dbraw/zinc/98/19/43/634981943.db2.gz UGJCBEATLCEHEK-AWEZNQCLSA-N 1 2 299.378 2.236 20 30 CEEDLO C=CCn1cc(C[NH2+][C@H](c2ccccn2)C2CC2)nn1 ZINC000903193431 635005749 /nfs/dbraw/zinc/00/57/49/635005749.db2.gz WWEMOOMIRCLPHM-HNNXBMFYSA-N 1 2 269.352 2.100 20 30 CEEDLO C=CC[C@H]([NH2+]Cc1nccnc1OC)c1ccncc1 ZINC000823887345 635301595 /nfs/dbraw/zinc/30/15/95/635301595.db2.gz GBJMRQHQGUIRRK-ZDUSSCGKSA-N 1 2 270.336 2.287 20 30 CEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824478674 635433845 /nfs/dbraw/zinc/43/38/45/635433845.db2.gz NOLZWBWIOCRUBG-UHFFFAOYSA-N 1 2 282.347 2.261 20 30 CEEDLO C=CCC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC000825207996 635591543 /nfs/dbraw/zinc/59/15/43/635591543.db2.gz LGHOJFIGIMLCRB-UHFFFAOYSA-N 1 2 285.347 2.418 20 30 CEEDLO N#C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000826937076 636167338 /nfs/dbraw/zinc/16/73/38/636167338.db2.gz IJTWUAOGNJFLCO-CABCVRRESA-N 1 2 294.358 2.350 20 30 CEEDLO C=CC[C@@H]([NH2+]CC1(OC(C)C)CCC1)C(=O)OC ZINC000905777610 636435042 /nfs/dbraw/zinc/43/50/42/636435042.db2.gz MCQMYIZHZOSJCN-GFCCVEGCSA-N 1 2 255.358 2.041 20 30 CEEDLO C=CC[C@@H]([NH2+]CCc1ccc(C)c(OC)c1)C(=O)OC ZINC000905762486 636449324 /nfs/dbraw/zinc/44/93/24/636449324.db2.gz UJDBKNLWWXDLPU-CQSZACIVSA-N 1 2 277.364 2.253 20 30 CEEDLO CN(C)c1nccc(C[N@H+](C)Cc2cc(C#N)cs2)n1 ZINC000827891135 636452913 /nfs/dbraw/zinc/45/29/13/636452913.db2.gz ARVXCGVOQIKSKA-UHFFFAOYSA-N 1 2 287.392 2.108 20 30 CEEDLO CN(C)c1nccc(C[N@@H+](C)Cc2cc(C#N)cs2)n1 ZINC000827891135 636452917 /nfs/dbraw/zinc/45/29/17/636452917.db2.gz ARVXCGVOQIKSKA-UHFFFAOYSA-N 1 2 287.392 2.108 20 30 CEEDLO C=CC[C@H]([NH2+]CC(C)(C)c1ccc(C)cn1)C(=O)OC ZINC000905773915 636458964 /nfs/dbraw/zinc/45/89/64/636458964.db2.gz LDOHQENCSMKAKX-ZDUSSCGKSA-N 1 2 276.380 2.375 20 30 CEEDLO N#Cc1ccc([C@H](O)C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000828406012 636588138 /nfs/dbraw/zinc/58/81/38/636588138.db2.gz TZNLJVRIAULSNU-GFCCVEGCSA-N 1 2 270.254 2.086 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(OCC)cn1)C1CSC1 ZINC000878912910 651208336 /nfs/dbraw/zinc/20/83/36/651208336.db2.gz UJIDXHWAUNGXOJ-UHFFFAOYSA-N 1 2 262.378 2.031 20 30 CEEDLO C#CC[N@H+](Cc1ccc(OCC)cn1)C1CSC1 ZINC000878912910 651208338 /nfs/dbraw/zinc/20/83/38/651208338.db2.gz UJIDXHWAUNGXOJ-UHFFFAOYSA-N 1 2 262.378 2.031 20 30 CEEDLO Cc1[nH]c(CNC(=O)c2cc(C)c(C#N)c(C)c2)[nH+]c1C ZINC000906946135 636892323 /nfs/dbraw/zinc/89/23/23/636892323.db2.gz VUNOIWMOVXUSSQ-UHFFFAOYSA-N 1 2 282.347 2.445 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000906927583 636892465 /nfs/dbraw/zinc/89/24/65/636892465.db2.gz KPNAAMOOERGACV-ZFWWWQNUSA-N 1 2 289.379 2.097 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000906927583 636892470 /nfs/dbraw/zinc/89/24/70/636892470.db2.gz KPNAAMOOERGACV-ZFWWWQNUSA-N 1 2 289.379 2.097 20 30 CEEDLO C[C@H](NC(=S)N[NH+]=C1CCc2cc(N)ccc21)C1CC1 ZINC000834965241 638000971 /nfs/dbraw/zinc/00/09/71/638000971.db2.gz XOWZHRKGVCETRC-VIFPVBQESA-N 1 2 288.420 2.182 20 30 CEEDLO Nc1ccc2c(n1)CCCC2=[NH+]O[C@@H]1CCCCO1 ZINC000834966158 638000988 /nfs/dbraw/zinc/00/09/88/638000988.db2.gz DIJVUENJLBMSGV-CQSZACIVSA-N 1 2 261.325 2.247 20 30 CEEDLO CC[C@@H](C#N)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835212203 638111885 /nfs/dbraw/zinc/11/18/85/638111885.db2.gz NXIFTYJTNMOHCL-AWEZNQCLSA-N 1 2 269.304 2.390 20 30 CEEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1ccccc1 ZINC000028914632 638685432 /nfs/dbraw/zinc/68/54/32/638685432.db2.gz ZIVPQIZUOFVSJG-GFCCVEGCSA-N 1 2 283.331 2.351 20 30 CEEDLO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912583961 638734600 /nfs/dbraw/zinc/73/46/00/638734600.db2.gz HJOKNRQVZWTEDG-OAHLLOKOSA-N 1 2 294.358 2.175 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)C#CC(C)(C)C)c1C ZINC000837378796 639208421 /nfs/dbraw/zinc/20/84/21/639208421.db2.gz ZREYYSCIRIRQQM-UHFFFAOYSA-N 1 2 274.364 2.373 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000923594966 639737578 /nfs/dbraw/zinc/73/75/78/639737578.db2.gz PEVQHSVDBJVEJU-JTQLQIEISA-N 1 2 282.290 2.045 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC000923594966 639737580 /nfs/dbraw/zinc/73/75/80/639737580.db2.gz PEVQHSVDBJVEJU-JTQLQIEISA-N 1 2 282.290 2.045 20 30 CEEDLO CCn1c[nH+]cc1CN=Nc1cc(Cl)nc(C)n1 ZINC000841626661 639800713 /nfs/dbraw/zinc/80/07/13/639800713.db2.gz VAMHKCWRHAQIOW-UHFFFAOYSA-N 1 2 264.720 2.101 20 30 CEEDLO CC(C)c1[nH+]c(C=NN2CCC[C@H]2CO)c2ccccn21 ZINC000841661903 639828374 /nfs/dbraw/zinc/82/83/74/639828374.db2.gz UCICFHOTLHQKLG-ZDUSSCGKSA-N 1 2 286.379 2.248 20 30 CEEDLO C=CC[C@@H]([NH2+]Cc1ncnn1CC)c1ccncc1 ZINC000877045664 650544965 /nfs/dbraw/zinc/54/49/65/650544965.db2.gz BYAXFRWITRIWOE-CYBMUJFWSA-N 1 2 257.341 2.100 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccnc2)[C@H]1C ZINC000992969625 640387161 /nfs/dbraw/zinc/38/71/61/640387161.db2.gz VFVORUSCXQUZLU-OCCSQVGLSA-N 1 2 293.798 2.417 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccnc2)[C@H]1C ZINC000992969625 640387167 /nfs/dbraw/zinc/38/71/67/640387167.db2.gz VFVORUSCXQUZLU-OCCSQVGLSA-N 1 2 293.798 2.417 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000843425206 640425221 /nfs/dbraw/zinc/42/52/21/640425221.db2.gz IABDDQGSWXCUAB-NSHDSACASA-N 1 2 256.758 2.252 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000843425206 640425225 /nfs/dbraw/zinc/42/52/25/640425225.db2.gz IABDDQGSWXCUAB-NSHDSACASA-N 1 2 256.758 2.252 20 30 CEEDLO C#CC1CC[NH+](Cc2c(Br)c(C)nn2C)CC1 ZINC000843426623 640425762 /nfs/dbraw/zinc/42/57/62/640425762.db2.gz COVOMENHCSHZRB-UHFFFAOYSA-N 1 2 296.212 2.336 20 30 CEEDLO C#CC1CC[NH+](Cc2nn(C)c(C)c2Cl)CC1 ZINC000843426913 640426830 /nfs/dbraw/zinc/42/68/30/640426830.db2.gz NGLYFZQHCISNHW-UHFFFAOYSA-N 1 2 251.761 2.227 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)C)[C@H]1C ZINC000993073507 640428588 /nfs/dbraw/zinc/42/85/88/640428588.db2.gz OZOVGNVOKPLXGI-NEPJUHHUSA-N 1 2 258.793 2.364 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)C)[C@H]1C ZINC000993073507 640428590 /nfs/dbraw/zinc/42/85/90/640428590.db2.gz OZOVGNVOKPLXGI-NEPJUHHUSA-N 1 2 258.793 2.364 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cscn2)[C@@H]1C ZINC000993082843 640434885 /nfs/dbraw/zinc/43/48/85/640434885.db2.gz CDZUBBCIAHOSLF-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cscn2)[C@@H]1C ZINC000993082843 640434889 /nfs/dbraw/zinc/43/48/89/640434889.db2.gz CDZUBBCIAHOSLF-QWRGUYRKSA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H]1C ZINC000993598227 640657475 /nfs/dbraw/zinc/65/74/75/640657475.db2.gz CPYNMIPLKMHGFW-ZYHUDNBSSA-N 1 2 299.777 2.489 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H]1C ZINC000993598227 640657477 /nfs/dbraw/zinc/65/74/77/640657477.db2.gz CPYNMIPLKMHGFW-ZYHUDNBSSA-N 1 2 299.777 2.489 20 30 CEEDLO N#Cc1cncc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000930023364 640959255 /nfs/dbraw/zinc/95/92/55/640959255.db2.gz CRKAKGSLDTWHRK-KRWDZBQOSA-N 1 2 279.343 2.045 20 30 CEEDLO N#Cc1cncc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000930023364 640959258 /nfs/dbraw/zinc/95/92/58/640959258.db2.gz CRKAKGSLDTWHRK-KRWDZBQOSA-N 1 2 279.343 2.045 20 30 CEEDLO C#Cc1cccc(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845434875 640974296 /nfs/dbraw/zinc/97/42/96/640974296.db2.gz UWMAHFNMNWYOEX-UHFFFAOYSA-N 1 2 293.370 2.406 20 30 CEEDLO Cc1cc([C@@H](C#N)C(=O)C[C@H](C)n2cc[nH+]c2)nc(C)n1 ZINC000845443439 640976205 /nfs/dbraw/zinc/97/62/05/640976205.db2.gz DNOXYLGBIKXGPQ-WCQYABFASA-N 1 2 283.335 2.118 20 30 CEEDLO CCN(CCC#N)C(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919143264 641017477 /nfs/dbraw/zinc/01/74/77/641017477.db2.gz FKKFBWTXNQVKKP-UHFFFAOYSA-N 1 2 296.374 2.236 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921150175 641230229 /nfs/dbraw/zinc/23/02/29/641230229.db2.gz LXCMDEFSJXGCDI-CQSZACIVSA-N 1 2 299.374 2.470 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccnc1Cl ZINC000846987394 641510248 /nfs/dbraw/zinc/51/02/48/641510248.db2.gz NBVHVPDSYMSFOQ-NXEZZACHSA-N 1 2 280.759 2.344 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000847027303 641534475 /nfs/dbraw/zinc/53/44/75/641534475.db2.gz AGSGXRBDFGJBER-LLVKDONJSA-N 1 2 277.755 2.019 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000847027303 641534477 /nfs/dbraw/zinc/53/44/77/641534477.db2.gz AGSGXRBDFGJBER-LLVKDONJSA-N 1 2 277.755 2.019 20 30 CEEDLO C#C[C@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000847302540 641628515 /nfs/dbraw/zinc/62/85/15/641628515.db2.gz NADZYCYAVJAGGR-HNNXBMFYSA-N 1 2 297.402 2.057 20 30 CEEDLO C=CC[N@@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)C1CC1 ZINC000877329981 650677963 /nfs/dbraw/zinc/67/79/63/650677963.db2.gz WUNBWWXHENWXNM-UHFFFAOYSA-N 1 2 298.390 2.485 20 30 CEEDLO C=CC[N@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)C1CC1 ZINC000877329981 650677965 /nfs/dbraw/zinc/67/79/65/650677965.db2.gz WUNBWWXHENWXNM-UHFFFAOYSA-N 1 2 298.390 2.485 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000182617854 641683311 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C#CC[C@H]([NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1)C(=O)OC ZINC000839167512 644176661 /nfs/dbraw/zinc/17/66/61/644176661.db2.gz FRUGJLGWUNLCHE-ZENOOKHLSA-N 1 2 289.375 2.342 20 30 CEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C(=O)OC ZINC000839169991 644179080 /nfs/dbraw/zinc/17/90/80/644179080.db2.gz VIQORIWZNPZFLM-BPUTZDHNSA-N 1 2 286.375 2.262 20 30 CEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1cccc(OC)c1 ZINC000839407459 644223487 /nfs/dbraw/zinc/22/34/87/644223487.db2.gz JKOUBZBZWAOACH-UHFFFAOYSA-N 1 2 288.307 2.041 20 30 CEEDLO C[C@@H](C#N)CN(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000754175684 644335932 /nfs/dbraw/zinc/33/59/32/644335932.db2.gz SPXNFKWSJCDXRD-NSHDSACASA-N 1 2 268.320 2.099 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)o1 ZINC000877820518 650921219 /nfs/dbraw/zinc/92/12/19/650921219.db2.gz RCLPCWIMMQKMLA-NSHDSACASA-N 1 2 274.242 2.304 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)o1 ZINC000877820518 650921221 /nfs/dbraw/zinc/92/12/21/650921221.db2.gz RCLPCWIMMQKMLA-NSHDSACASA-N 1 2 274.242 2.304 20 30 CEEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000757653356 644830356 /nfs/dbraw/zinc/83/03/56/644830356.db2.gz ZNJCOPOKOHISAS-CYBMUJFWSA-N 1 2 266.385 2.341 20 30 CEEDLO C=CCCOCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982440 645034179 /nfs/dbraw/zinc/03/41/79/645034179.db2.gz OYINVKKQFJGPOW-ZDUSSCGKSA-N 1 2 277.368 2.207 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982007 645034184 /nfs/dbraw/zinc/03/41/84/645034184.db2.gz LJEZTNSXLOWZMA-OCCSQVGLSA-N 1 2 292.383 2.415 20 30 CEEDLO CCCCCCCNC(=O)NCCn1cc[nH+]c1 ZINC000858110309 645064168 /nfs/dbraw/zinc/06/41/68/645064168.db2.gz ALIXATOHNNIRGL-UHFFFAOYSA-N 1 2 252.362 2.153 20 30 CEEDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc(C#N)ccc1O ZINC000759718074 645068374 /nfs/dbraw/zinc/06/83/74/645068374.db2.gz QIQKVDZPFHGAAA-PHIMTYICSA-N 1 2 273.336 2.075 20 30 CEEDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(C#N)ccc1O ZINC000759718074 645068377 /nfs/dbraw/zinc/06/83/77/645068377.db2.gz QIQKVDZPFHGAAA-PHIMTYICSA-N 1 2 273.336 2.075 20 30 CEEDLO Cc1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1C#N ZINC000859276596 645443893 /nfs/dbraw/zinc/44/38/93/645443893.db2.gz IWSBANUQXFBUAB-NSHDSACASA-N 1 2 282.351 2.039 20 30 CEEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000763949415 645592868 /nfs/dbraw/zinc/59/28/68/645592868.db2.gz LISLIKKUPNRGGL-GZBFAFLISA-N 1 2 262.397 2.025 20 30 CEEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000763949415 645592872 /nfs/dbraw/zinc/59/28/72/645592872.db2.gz LISLIKKUPNRGGL-GZBFAFLISA-N 1 2 262.397 2.025 20 30 CEEDLO C#CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)C1CC1 ZINC000763950030 645593425 /nfs/dbraw/zinc/59/34/25/645593425.db2.gz PMISGAGASDVASJ-UHFFFAOYSA-N 1 2 299.374 2.049 20 30 CEEDLO C#CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)C1CC1 ZINC000763950030 645593430 /nfs/dbraw/zinc/59/34/30/645593430.db2.gz PMISGAGASDVASJ-UHFFFAOYSA-N 1 2 299.374 2.049 20 30 CEEDLO CC#CCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000764939818 645712578 /nfs/dbraw/zinc/71/25/78/645712578.db2.gz MDKRYMTXIQHLQA-UHFFFAOYSA-N 1 2 281.153 2.499 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000766666014 645908790 /nfs/dbraw/zinc/90/87/90/645908790.db2.gz OBGITSRRABTTQV-CRAIPNDOSA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000766666014 645908792 /nfs/dbraw/zinc/90/87/92/645908792.db2.gz OBGITSRRABTTQV-CRAIPNDOSA-N 1 2 284.403 2.379 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769902145 646332070 /nfs/dbraw/zinc/33/20/70/646332070.db2.gz XZBLHQBAERGYIJ-DTWKUNHWSA-N 1 2 257.683 2.374 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769902145 646332076 /nfs/dbraw/zinc/33/20/76/646332076.db2.gz XZBLHQBAERGYIJ-DTWKUNHWSA-N 1 2 257.683 2.374 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1ncc(Br)cc1F ZINC000862362745 646413179 /nfs/dbraw/zinc/41/31/79/646413179.db2.gz FENPXYPHAPKIIF-ZETCQYMHSA-N 1 2 257.106 2.095 20 30 CEEDLO CCc1nn(C)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000770606056 646413394 /nfs/dbraw/zinc/41/33/94/646413394.db2.gz IMNVBNWIKFHRKQ-UHFFFAOYSA-N 1 2 279.347 2.399 20 30 CEEDLO C=CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000862544205 646491034 /nfs/dbraw/zinc/49/10/34/646491034.db2.gz UBXBWIQKAOWOEN-LBPRGKRZSA-N 1 2 255.321 2.373 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(c2ccccc2)C1=O)C1CC1 ZINC000771638588 646539663 /nfs/dbraw/zinc/53/96/63/646539663.db2.gz BQLSMESDNKKOKQ-GOSISDBHSA-N 1 2 298.386 2.311 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(c2ccccc2)C1=O)C1CC1 ZINC000771638588 646539665 /nfs/dbraw/zinc/53/96/65/646539665.db2.gz BQLSMESDNKKOKQ-GOSISDBHSA-N 1 2 298.386 2.311 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(CC(C)C)C1=O)C1CC1 ZINC000771641706 646540107 /nfs/dbraw/zinc/54/01/07/646540107.db2.gz MKWVSDQDQDTJIR-INIZCTEOSA-N 1 2 278.396 2.406 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(CC(C)C)C1=O)C1CC1 ZINC000771641706 646540109 /nfs/dbraw/zinc/54/01/09/646540109.db2.gz MKWVSDQDQDTJIR-INIZCTEOSA-N 1 2 278.396 2.406 20 30 CEEDLO Cc1ccc(NC(=S)NN=C2C[NH+]3CCC2CC3)cc1 ZINC000864095014 646899316 /nfs/dbraw/zinc/89/93/16/646899316.db2.gz ULCZIYGNRPWXQV-UHFFFAOYSA-N 1 2 288.420 2.363 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CCCO1 ZINC000776002986 647015116 /nfs/dbraw/zinc/01/51/16/647015116.db2.gz UULUUUSPVCQORK-QWHCGFSZSA-N 1 2 265.740 2.316 20 30 CEEDLO C#CCC[NH+]1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000776596348 647078218 /nfs/dbraw/zinc/07/82/18/647078218.db2.gz ZLGUIHIYAUXMRV-MRXNPFEDSA-N 1 2 256.393 2.431 20 30 CEEDLO N#C[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCOC1 ZINC000864728804 647092631 /nfs/dbraw/zinc/09/26/31/647092631.db2.gz QAMYVWJEPZQWLY-INIZCTEOSA-N 1 2 296.330 2.131 20 30 CEEDLO NC(=[NH+]OCc1ccc(CO)cc1)c1ccc(F)cc1 ZINC000778590392 647246088 /nfs/dbraw/zinc/24/60/88/647246088.db2.gz YZTORDZQSQQJJC-UHFFFAOYSA-N 1 2 274.295 2.155 20 30 CEEDLO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000865582245 647370676 /nfs/dbraw/zinc/37/06/76/647370676.db2.gz DPGVWCSRTCCHBB-CQSZACIVSA-N 1 2 281.363 2.055 20 30 CEEDLO C=CC[N@@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780450292 647429958 /nfs/dbraw/zinc/42/99/58/647429958.db2.gz MLMLNVJRJVHWEI-INIZCTEOSA-N 1 2 258.365 2.252 20 30 CEEDLO C=CC[N@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780450292 647429961 /nfs/dbraw/zinc/42/99/61/647429961.db2.gz MLMLNVJRJVHWEI-INIZCTEOSA-N 1 2 258.365 2.252 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000782543534 647635899 /nfs/dbraw/zinc/63/58/99/647635899.db2.gz LTUJOBDGOXHTKA-WBVHZDCISA-N 1 2 299.349 2.282 20 30 CEEDLO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866228138 647682132 /nfs/dbraw/zinc/68/21/32/647682132.db2.gz GEFXAXXEABQVFH-NEPJUHHUSA-N 1 2 270.336 2.200 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000866364706 647757979 /nfs/dbraw/zinc/75/79/79/647757979.db2.gz TXEODDIBWROKLP-ZWNOBZJWSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc(C#N)c1O ZINC000866390921 647770578 /nfs/dbraw/zinc/77/05/78/647770578.db2.gz WBXLIAWDVYMRBR-ZLKJLUDKSA-N 1 2 272.348 2.218 20 30 CEEDLO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866634527 647848967 /nfs/dbraw/zinc/84/89/67/647848967.db2.gz RZLXHOIFFKFKAH-NQBHXWOUSA-N 1 2 262.353 2.464 20 30 CEEDLO C=CCCS(=O)(=O)N(CCCOCC)c1cc[nH+]cc1 ZINC000867680888 647946589 /nfs/dbraw/zinc/94/65/89/647946589.db2.gz UGTBKLYSVAOKGW-UHFFFAOYSA-N 1 2 298.408 2.221 20 30 CEEDLO CCN(C)c1ccc(C=[NH+]NCC(F)(F)F)cn1 ZINC000790176475 648390701 /nfs/dbraw/zinc/39/07/01/648390701.db2.gz OWPZGXLZWNMNRA-UHFFFAOYSA-N 1 2 260.263 2.024 20 30 CEEDLO CCN(C)c1ccc(C=[NH+]Nc2ccc(OC)cn2)cn1 ZINC000790175633 648390747 /nfs/dbraw/zinc/39/07/47/648390747.db2.gz GXRCWRZQRSYZRS-UHFFFAOYSA-N 1 2 285.351 2.387 20 30 CEEDLO N#CCc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000792071298 648605745 /nfs/dbraw/zinc/60/57/45/648605745.db2.gz XROFAPUTPLIQIR-UHFFFAOYSA-N 1 2 267.288 2.087 20 30 CEEDLO C[C@H]1OCC[C@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000871722835 649157037 /nfs/dbraw/zinc/15/70/37/649157037.db2.gz SCZOBNNZQISCKT-KOLCDFICSA-N 1 2 268.744 2.402 20 30 CEEDLO CCC[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(=O)OCC ZINC000871928835 649218240 /nfs/dbraw/zinc/21/82/40/649218240.db2.gz LVLXFBHXGTUWQX-JKSUJKDBSA-N 1 2 286.375 2.347 20 30 CEEDLO Cc1[nH+]cc(C=NNC[C@@H]2CCCC2(F)F)n1C ZINC000872404877 649381083 /nfs/dbraw/zinc/38/10/83/649381083.db2.gz GVRDODCJTRAQMU-JTQLQIEISA-N 1 2 256.300 2.087 20 30 CEEDLO CC[C@H]1COCC[N@@H+]1CCNc1nc(C)cc(C)c1C#N ZINC000872772612 649482127 /nfs/dbraw/zinc/48/21/27/649482127.db2.gz WXHUXODAQUGZGS-AWEZNQCLSA-N 1 2 288.395 2.093 20 30 CEEDLO CC[C@H]1COCC[N@H+]1CCNc1nc(C)cc(C)c1C#N ZINC000872772612 649482129 /nfs/dbraw/zinc/48/21/29/649482129.db2.gz WXHUXODAQUGZGS-AWEZNQCLSA-N 1 2 288.395 2.093 20 30 CEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccccc2O)o1 ZINC000878514477 651117706 /nfs/dbraw/zinc/11/77/06/651117706.db2.gz VUTSHQGTPSKHHS-UHFFFAOYSA-N 1 2 271.320 2.286 20 30 CEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccccc2O)o1 ZINC000878514477 651117707 /nfs/dbraw/zinc/11/77/07/651117707.db2.gz VUTSHQGTPSKHHS-UHFFFAOYSA-N 1 2 271.320 2.286 20 30 CEEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2cccc(O)c2)o1 ZINC000878662024 651156406 /nfs/dbraw/zinc/15/64/06/651156406.db2.gz KJVWOYQYNRVLPW-OAHLLOKOSA-N 1 2 271.320 2.334 20 30 CEEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(OC)(C(F)(F)F)CC1 ZINC000878716581 651172806 /nfs/dbraw/zinc/17/28/06/651172806.db2.gz JVAULAITVNCGMZ-JTQLQIEISA-N 1 2 295.301 2.147 20 30 CEEDLO C[C@@H](c1ccccc1)N1CC[NH+](CCOCCC#N)CC1 ZINC000880251935 651410167 /nfs/dbraw/zinc/41/01/67/651410167.db2.gz ZCBYZGUZMCOANO-INIZCTEOSA-N 1 2 287.407 2.295 20 30 CEEDLO Cc1nc(C#N)cc(NCCc2cn3c(cccc3C)[nH+]2)n1 ZINC000882519088 652118026 /nfs/dbraw/zinc/11/80/26/652118026.db2.gz OBTKSWIUHANVKQ-UHFFFAOYSA-N 1 2 292.346 2.267 20 30 CEEDLO N#Cc1ccc(N2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000882699236 652184205 /nfs/dbraw/zinc/18/42/05/652184205.db2.gz PRDQLPUQMSBCRN-UHFFFAOYSA-N 1 2 282.322 2.419 20 30 CEEDLO CC#CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883625573 652516649 /nfs/dbraw/zinc/51/66/49/652516649.db2.gz DCQRCYQKWMJQEC-MRXNPFEDSA-N 1 2 296.374 2.337 20 30 CEEDLO C=CC[NH+]1CCN([C@H](F)Oc2ccc(Cl)nc2)CC1 ZINC001165031580 721866799 /nfs/dbraw/zinc/86/67/99/721866799.db2.gz OCKJMBHYXRYZBQ-ZDUSSCGKSA-N 1 2 285.750 2.171 20 30 CEEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](CCF)CCC1(F)F ZINC001271099635 805740649 /nfs/dbraw/zinc/74/06/49/805740649.db2.gz DWVHTCKENHUNAT-GFCCVEGCSA-N 1 2 292.345 2.386 20 30 CEEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CCF)CCC1(F)F ZINC001271099635 805740653 /nfs/dbraw/zinc/74/06/53/805740653.db2.gz DWVHTCKENHUNAT-GFCCVEGCSA-N 1 2 292.345 2.386 20 30 CEEDLO C[C@@H]1C[C@H]([N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001168107913 806181320 /nfs/dbraw/zinc/18/13/20/806181320.db2.gz ZOPGIGJEDPFYFI-UKRRQHHQSA-N 1 2 259.353 2.365 20 30 CEEDLO C[C@@H]1C[C@H]([N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001168107913 806181326 /nfs/dbraw/zinc/18/13/26/806181326.db2.gz ZOPGIGJEDPFYFI-UKRRQHHQSA-N 1 2 259.353 2.365 20 30 CEEDLO CNc1nc(Cl)ncc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001142491521 806597838 /nfs/dbraw/zinc/59/78/38/806597838.db2.gz SVNUYJAVPFXSPE-SNVBAGLBSA-N 1 2 279.775 2.297 20 30 CEEDLO CNc1nc(Cl)ncc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001142491521 806597844 /nfs/dbraw/zinc/59/78/44/806597844.db2.gz SVNUYJAVPFXSPE-SNVBAGLBSA-N 1 2 279.775 2.297 20 30 CEEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001038479979 806606018 /nfs/dbraw/zinc/60/60/18/806606018.db2.gz SZNTWLLVRAIOHW-LLVKDONJSA-N 1 2 264.394 2.301 20 30 CEEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001038479979 806606024 /nfs/dbraw/zinc/60/60/24/806606024.db2.gz SZNTWLLVRAIOHW-LLVKDONJSA-N 1 2 264.394 2.301 20 30 CEEDLO C=CC(C)(C)CC(=O)NCC[N@@H+](C)Cc1conc1CC ZINC001266278639 802351049 /nfs/dbraw/zinc/35/10/49/802351049.db2.gz MRPSIAMJQBRGET-UHFFFAOYSA-N 1 2 293.411 2.387 20 30 CEEDLO C=CC(C)(C)CC(=O)NCC[N@H+](C)Cc1conc1CC ZINC001266278639 802351053 /nfs/dbraw/zinc/35/10/53/802351053.db2.gz MRPSIAMJQBRGET-UHFFFAOYSA-N 1 2 293.411 2.387 20 30 CEEDLO N#Cc1ccc2[nH]cc(C[NH+]3CC4(C3)CCCO4)c2c1 ZINC001140109913 802606465 /nfs/dbraw/zinc/60/64/65/802606465.db2.gz AAGRLYXCLBQTGN-UHFFFAOYSA-N 1 2 267.332 2.404 20 30 CEEDLO N#Cc1ccc(CN2CC[NH2+]CC(F)(F)C2)c(Cl)c1 ZINC001211347276 802814952 /nfs/dbraw/zinc/81/49/52/802814952.db2.gz NLUZRHIOYYWTOP-UHFFFAOYSA-N 1 2 285.725 2.252 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCC)CC2)C1 ZINC001093499003 814935720 /nfs/dbraw/zinc/93/57/20/814935720.db2.gz JGANCCJVAGJNQM-UHFFFAOYSA-N 1 2 280.412 2.054 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001038229696 803016603 /nfs/dbraw/zinc/01/66/03/803016603.db2.gz MMESCWRCQYIMES-NSHDSACASA-N 1 2 250.367 2.047 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001038229696 803016608 /nfs/dbraw/zinc/01/66/08/803016608.db2.gz MMESCWRCQYIMES-NSHDSACASA-N 1 2 250.367 2.047 20 30 CEEDLO C=CCCC(=O)N1CCC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC001267102250 803128762 /nfs/dbraw/zinc/12/87/62/803128762.db2.gz ZBVZWMVKAPHZJA-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001267102250 803128766 /nfs/dbraw/zinc/12/87/66/803128766.db2.gz ZBVZWMVKAPHZJA-AWEZNQCLSA-N 1 2 291.395 2.372 20 30 CEEDLO CCc1nnc(NCc2cc[nH+]c(N)c2)c(C#N)c1CC ZINC001167617249 803204408 /nfs/dbraw/zinc/20/44/08/803204408.db2.gz MWZCYLBMKRMMJU-UHFFFAOYSA-N 1 2 282.351 2.062 20 30 CEEDLO CSc1nn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c(N)c1C#N ZINC001213087025 803246769 /nfs/dbraw/zinc/24/67/69/803246769.db2.gz HQELTZNDERKFFW-UHFFFAOYSA-N 1 2 296.359 2.438 20 30 CEEDLO C=C(C)C(=O)NCCCNc1ccc2[nH+]cn(C)c2c1 ZINC001167667825 803287737 /nfs/dbraw/zinc/28/77/37/803287737.db2.gz QELWJOQAWZCMHH-UHFFFAOYSA-N 1 2 272.352 2.068 20 30 CEEDLO Cn1cnc2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc21 ZINC001140738881 803508382 /nfs/dbraw/zinc/50/83/82/803508382.db2.gz SLLJQWSKBQQESK-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1cnc2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc21 ZINC001140738881 803508386 /nfs/dbraw/zinc/50/83/86/803508386.db2.gz SLLJQWSKBQQESK-ZDUSSCGKSA-N 1 2 254.337 2.309 20 30 CEEDLO C=CCCCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001283664692 803556759 /nfs/dbraw/zinc/55/67/59/803556759.db2.gz NPWVHOOJPQCVIF-VXGBXAGGSA-N 1 2 294.399 2.232 20 30 CEEDLO C#CCO[C@H](C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001117764509 814946114 /nfs/dbraw/zinc/94/61/14/814946114.db2.gz OFLKFVIZZOIJOV-GFCCVEGCSA-N 1 2 297.358 2.278 20 30 CEEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001267705806 803666286 /nfs/dbraw/zinc/66/62/86/803666286.db2.gz OQRISVILSHDYGH-LOKFXGJOSA-N 1 2 268.788 2.380 20 30 CEEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001267705806 803666292 /nfs/dbraw/zinc/66/62/92/803666292.db2.gz OQRISVILSHDYGH-LOKFXGJOSA-N 1 2 268.788 2.380 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001038358445 803693589 /nfs/dbraw/zinc/69/35/89/803693589.db2.gz YFSQQAGRTJWCAN-ULQDDVLXSA-N 1 2 288.435 2.417 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001038358445 803693594 /nfs/dbraw/zinc/69/35/94/803693594.db2.gz YFSQQAGRTJWCAN-ULQDDVLXSA-N 1 2 288.435 2.417 20 30 CEEDLO C=CCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001105038456 803756629 /nfs/dbraw/zinc/75/66/29/803756629.db2.gz MXVQYYHBMCTDKB-TZMCWYRMSA-N 1 2 288.395 2.400 20 30 CEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001093592165 814968362 /nfs/dbraw/zinc/96/83/62/814968362.db2.gz VPOICRDZXFRWQN-UHFFFAOYSA-N 1 2 294.439 2.300 20 30 CEEDLO Cc1nc(N[C@H]2CCC[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001098620951 803844289 /nfs/dbraw/zinc/84/42/89/803844289.db2.gz JVEJJOANUARHDO-LSDHHAIUSA-N 1 2 298.390 2.038 20 30 CEEDLO C#CCN(CC1CC1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001118312615 815003928 /nfs/dbraw/zinc/00/39/28/815003928.db2.gz INKGHDSBGOJILC-UHFFFAOYSA-N 1 2 267.332 2.128 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001027830864 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Cc1nc(C[N@H+](C)[C@H](C)Cc2cccc(C#N)c2)no1 ZINC001171208350 814157435 /nfs/dbraw/zinc/15/74/35/814157435.db2.gz BEKOBYITDCLZIK-LLVKDONJSA-N 1 2 270.336 2.313 20 30 CEEDLO CC(C)N1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171230637 814203705 /nfs/dbraw/zinc/20/37/05/814203705.db2.gz WRQFSJTWZBFNNZ-AWEZNQCLSA-N 1 2 285.391 2.042 20 30 CEEDLO CC(C)N1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171230637 814203711 /nfs/dbraw/zinc/20/37/11/814203711.db2.gz WRQFSJTWZBFNNZ-AWEZNQCLSA-N 1 2 285.391 2.042 20 30 CEEDLO Cc1ccn(C[N@@H+](C)Cc2ccc(F)cc2)c(=O)c1C#N ZINC000758183601 814228307 /nfs/dbraw/zinc/22/83/07/814228307.db2.gz YQLFDFGWLSFUOL-UHFFFAOYSA-N 1 2 285.322 2.257 20 30 CEEDLO Cc1ccn(C[N@H+](C)Cc2ccc(F)cc2)c(=O)c1C#N ZINC000758183601 814228315 /nfs/dbraw/zinc/22/83/15/814228315.db2.gz YQLFDFGWLSFUOL-UHFFFAOYSA-N 1 2 285.322 2.257 20 30 CEEDLO C[C@H](C#N)c1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001148621906 814595968 /nfs/dbraw/zinc/59/59/68/814595968.db2.gz AQLCBHGNHARLKC-GFCCVEGCSA-N 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N#Cc1cnc2ccccc2c1NCCn1cc[nH+]c1 ZINC000041119988 362019459 /nfs/dbraw/zinc/01/94/59/362019459.db2.gz WPVXJBPNMKEIKZ-UHFFFAOYSA-N 1 2 263.304 2.415 20 30 CEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(OC)c1 ZINC000046438297 362181893 /nfs/dbraw/zinc/18/18/93/362181893.db2.gz HPLZMTHBIPXKIN-UHFFFAOYSA-N 1 2 260.337 2.308 20 30 CEEDLO C=CCNC(=O)c1ccc(NCCc2ccc(C)[nH+]c2)nc1 ZINC000080981856 344032368 /nfs/dbraw/zinc/03/23/68/344032368.db2.gz AORUSHTXVARLMI-UHFFFAOYSA-N 1 2 296.374 2.355 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cn(C)nc1-c1cccnc1 ZINC000127614738 365753822 /nfs/dbraw/zinc/75/38/22/365753822.db2.gz KUEIHTHQHKVSNZ-UHFFFAOYSA-N 1 2 269.352 2.218 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccnc1 ZINC000127614738 365753827 /nfs/dbraw/zinc/75/38/27/365753827.db2.gz KUEIHTHQHKVSNZ-UHFFFAOYSA-N 1 2 269.352 2.218 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C[C@H](C)C#N ZINC000049982288 343540563 /nfs/dbraw/zinc/54/05/63/343540563.db2.gz UFJCWGCWWLQCDT-HZSPNIEDSA-N 1 2 265.401 2.163 20 30 CEEDLO CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C[C@H](C)C#N ZINC000049982288 343540567 /nfs/dbraw/zinc/54/05/67/343540567.db2.gz UFJCWGCWWLQCDT-HZSPNIEDSA-N 1 2 265.401 2.163 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127835560 365765265 /nfs/dbraw/zinc/76/52/65/365765265.db2.gz MATZRJVKXPNPSO-BBRMVZONSA-N 1 2 288.395 2.129 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127835560 365765269 /nfs/dbraw/zinc/76/52/69/365765269.db2.gz MATZRJVKXPNPSO-BBRMVZONSA-N 1 2 288.395 2.129 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)o1 ZINC000601974875 346947724 /nfs/dbraw/zinc/94/77/24/346947724.db2.gz WPTWQZGSQGLGIL-LLVKDONJSA-N 1 2 256.252 2.007 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)o1 ZINC000601974875 346947726 /nfs/dbraw/zinc/94/77/26/346947726.db2.gz WPTWQZGSQGLGIL-LLVKDONJSA-N 1 2 256.252 2.007 20 30 CEEDLO CCc1nc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000330301002 529745924 /nfs/dbraw/zinc/74/59/24/529745924.db2.gz 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C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000602772552 347192629 /nfs/dbraw/zinc/19/26/29/347192629.db2.gz STHUHQDXCXQIHD-MJBXVCDLSA-N 1 2 273.380 2.344 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000602772552 347192631 /nfs/dbraw/zinc/19/26/31/347192631.db2.gz STHUHQDXCXQIHD-MJBXVCDLSA-N 1 2 273.380 2.344 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602783204 347196083 /nfs/dbraw/zinc/19/60/83/347196083.db2.gz NOPNCHWPWATEBK-LLVKDONJSA-N 1 2 278.356 2.293 20 30 CEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602783204 347196088 /nfs/dbraw/zinc/19/60/88/347196088.db2.gz NOPNCHWPWATEBK-LLVKDONJSA-N 1 2 278.356 2.293 20 30 CEEDLO C=CC[N@@H+](Cc1cnc(C(=O)OCC)s1)C1CC1 ZINC000602799778 347203578 /nfs/dbraw/zinc/20/35/78/347203578.db2.gz UBMQTXMNBOGZQH-UHFFFAOYSA-N 1 2 266.366 2.470 20 30 CEEDLO C=CC[N@H+](Cc1cnc(C(=O)OCC)s1)C1CC1 ZINC000602799778 347203585 /nfs/dbraw/zinc/20/35/85/347203585.db2.gz UBMQTXMNBOGZQH-UHFFFAOYSA-N 1 2 266.366 2.470 20 30 CEEDLO C=C(C)C[C@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC000602731449 347176321 /nfs/dbraw/zinc/17/63/21/347176321.db2.gz KFGXJBOSCYSEAG-INIZCTEOSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C(=O)OC ZINC000602739006 347180160 /nfs/dbraw/zinc/18/01/60/347180160.db2.gz OEKAZRBEMYWPSJ-AVGNSLFASA-N 1 2 255.358 2.041 20 30 CEEDLO COc1ccccc1/C=C/C[NH+]1CCN(CCC#N)CC1 ZINC000602747874 347183563 /nfs/dbraw/zinc/18/35/63/347183563.db2.gz HMMZFZJFBGNNGY-QPJJXVBHSA-N 1 2 285.391 2.240 20 30 CEEDLO CCOC(=O)C(CC)(CC)[NH2+]CC1(CC#N)CC1 ZINC000602843039 347221337 /nfs/dbraw/zinc/22/13/37/347221337.db2.gz YGDKFNQASQQIHF-UHFFFAOYSA-N 1 2 252.358 2.392 20 30 CEEDLO C[C@H]1C[NH+](Cc2ncccc2Cl)C[C@H](C)N1CC#N ZINC000602850752 347224324 /nfs/dbraw/zinc/22/43/24/347224324.db2.gz SCLAAZVZLFRVER-RYUDHWBXSA-N 1 2 278.787 2.153 20 30 CEEDLO CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602860274 347227929 /nfs/dbraw/zinc/22/79/29/347227929.db2.gz AQOFROVNNOSYJY-ZDUSSCGKSA-N 1 2 273.380 2.099 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1Cl ZINC000602861168 347229277 /nfs/dbraw/zinc/22/92/77/347229277.db2.gz GCNAYTMRQWXKDI-SNVBAGLBSA-N 1 2 265.744 2.479 20 30 CEEDLO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602863642 347229926 /nfs/dbraw/zinc/22/99/26/347229926.db2.gz OZISARDWUMGFRX-JTQLQIEISA-N 1 2 265.744 2.479 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000602866169 347231203 /nfs/dbraw/zinc/23/12/03/347231203.db2.gz YWQMEGKBVHUYCL-SNVBAGLBSA-N 1 2 297.761 2.329 20 30 CEEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602869241 347232070 /nfs/dbraw/zinc/23/20/70/347232070.db2.gz MZSQJYIUDILBHM-VXGBXAGGSA-N 1 2 275.352 2.222 20 30 CEEDLO Cn1cc[nH+]c1[C@H](NCc1ccccc1C#N)C(C)(C)CO ZINC000602881888 347237242 /nfs/dbraw/zinc/23/72/42/347237242.db2.gz LOTKNSCKUWZLLV-HNNXBMFYSA-N 1 2 298.390 2.141 20 30 CEEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccccc1C#N)C(C)(C)CO ZINC000602881888 347237246 /nfs/dbraw/zinc/23/72/46/347237246.db2.gz LOTKNSCKUWZLLV-HNNXBMFYSA-N 1 2 298.390 2.141 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000602902669 347242508 /nfs/dbraw/zinc/24/25/08/347242508.db2.gz KSPNAZLZDOOZST-CPUCHLNUSA-N 1 2 285.391 2.488 20 30 CEEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000602902669 347242512 /nfs/dbraw/zinc/24/25/12/347242512.db2.gz KSPNAZLZDOOZST-CPUCHLNUSA-N 1 2 285.391 2.488 20 30 CEEDLO Cc1cc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c(C)c[nH+]1 ZINC000602921114 347248046 /nfs/dbraw/zinc/24/80/46/347248046.db2.gz CZAYNBJSCGJOCV-OCCSQVGLSA-N 1 2 272.352 2.276 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924809 347248664 /nfs/dbraw/zinc/24/86/64/347248664.db2.gz DNGTXMLLIUVUKS-OCCSQVGLSA-N 1 2 289.379 2.423 20 30 CEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602924809 347248667 /nfs/dbraw/zinc/24/86/67/347248667.db2.gz DNGTXMLLIUVUKS-OCCSQVGLSA-N 1 2 289.379 2.423 20 30 CEEDLO Cc1cc(C)c(CNC(=O)Nc2cc(C)c(C#N)cn2)c[nH+]1 ZINC000603135590 347294393 /nfs/dbraw/zinc/29/43/93/347294393.db2.gz NOUBBJNKHPJYED-UHFFFAOYSA-N 1 2 295.346 2.017 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974272 347259881 /nfs/dbraw/zinc/25/98/81/347259881.db2.gz LSLOBWCXHWBNDW-ZIAGYGMSSA-N 1 2 263.385 2.035 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602974272 347259882 /nfs/dbraw/zinc/25/98/82/347259882.db2.gz LSLOBWCXHWBNDW-ZIAGYGMSSA-N 1 2 263.385 2.035 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973801 347260394 /nfs/dbraw/zinc/26/03/94/347260394.db2.gz FNGAHHWFAIUCPF-ZNMIVQPWSA-N 1 2 277.412 2.402 20 30 CEEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973801 347260396 /nfs/dbraw/zinc/26/03/96/347260396.db2.gz FNGAHHWFAIUCPF-ZNMIVQPWSA-N 1 2 277.412 2.402 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974662 347261191 /nfs/dbraw/zinc/26/11/91/347261191.db2.gz RPRPBFRJTPXQMM-JKSUJKDBSA-N 1 2 285.391 2.269 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602974662 347261194 /nfs/dbraw/zinc/26/11/94/347261194.db2.gz RPRPBFRJTPXQMM-JKSUJKDBSA-N 1 2 285.391 2.269 20 30 CEEDLO Cc1ccc2nc(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)cc(=O)n2c1 ZINC000602978172 347262989 /nfs/dbraw/zinc/26/29/89/347262989.db2.gz MQRDLSTZLIHBKG-DZGCQCFKSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1ccc2nc(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)cc(=O)n2c1 ZINC000602978172 347262992 /nfs/dbraw/zinc/26/29/92/347262992.db2.gz MQRDLSTZLIHBKG-DZGCQCFKSA-N 1 2 296.374 2.127 20 30 CEEDLO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000602981337 347264744 /nfs/dbraw/zinc/26/47/44/347264744.db2.gz BRBKVAHDRBOWQI-FVQBIDKESA-N 1 2 285.391 2.488 20 30 CEEDLO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000602981337 347264746 /nfs/dbraw/zinc/26/47/46/347264746.db2.gz BRBKVAHDRBOWQI-FVQBIDKESA-N 1 2 285.391 2.488 20 30 CEEDLO C[C@@H]1C[N@H+](CCNc2cccc(Cl)c2C#N)CCO1 ZINC000568354960 299139727 /nfs/dbraw/zinc/13/97/27/299139727.db2.gz OICLLFFBKFNGMV-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@@H]1C[N@@H+](CCNc2cccc(Cl)c2C#N)CCO1 ZINC000568354960 299139731 /nfs/dbraw/zinc/13/97/31/299139731.db2.gz OICLLFFBKFNGMV-LLVKDONJSA-N 1 2 279.771 2.344 20 30 CEEDLO N#CCC[C@H](C#N)C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000603822027 347388746 /nfs/dbraw/zinc/38/87/46/347388746.db2.gz NWBMMQOOLSXZMY-CABCVRRESA-N 1 2 286.379 2.450 20 30 CEEDLO Cc1nccc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000603834687 347391115 /nfs/dbraw/zinc/39/11/15/347391115.db2.gz ZPIXNALBZOWYFR-LSDHHAIUSA-N 1 2 283.379 2.408 20 30 CEEDLO Cc1nccc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000603834687 347391116 /nfs/dbraw/zinc/39/11/16/347391116.db2.gz ZPIXNALBZOWYFR-LSDHHAIUSA-N 1 2 283.379 2.408 20 30 CEEDLO N#Cc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609130945 347626978 /nfs/dbraw/zinc/62/69/78/347626978.db2.gz CUBWZGJEBFTCTL-OAHLLOKOSA-N 1 2 280.331 2.232 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000609537820 347642621 /nfs/dbraw/zinc/64/26/21/347642621.db2.gz DULLAPDXSJTSBZ-HOCLYGCPSA-N 1 2 272.396 2.308 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC000610366774 347676036 /nfs/dbraw/zinc/67/60/36/347676036.db2.gz WNXSKVNCKMYWEE-VIFPVBQESA-N 1 2 254.293 2.081 20 30 CEEDLO Cc1[nH]c(C(=O)N[C@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC000610366773 347676187 /nfs/dbraw/zinc/67/61/87/347676187.db2.gz WNXSKVNCKMYWEE-SECBINFHSA-N 1 2 254.293 2.081 20 30 CEEDLO COC(=O)[C@H]([NH2+]C[C@H](C)C1CC1)c1cccc(C#N)c1 ZINC000610580292 347693726 /nfs/dbraw/zinc/69/37/26/347693726.db2.gz ORWQGAFOXODDEP-XHDPSFHLSA-N 1 2 272.348 2.408 20 30 CEEDLO N#Cc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1C#N ZINC000610231593 347665681 /nfs/dbraw/zinc/66/56/81/347665681.db2.gz MPHZWJJJYBZZBQ-UHFFFAOYSA-N 1 2 279.303 2.045 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610335229 347672699 /nfs/dbraw/zinc/67/26/99/347672699.db2.gz BGBZOIOIFOARJE-CHWSQXEVSA-N 1 2 297.362 2.204 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1F ZINC000611372161 347770730 /nfs/dbraw/zinc/77/07/30/347770730.db2.gz SGVVJSZEGUSEJH-HUUCEWRRSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1F ZINC000611372161 347770732 /nfs/dbraw/zinc/77/07/32/347770732.db2.gz SGVVJSZEGUSEJH-HUUCEWRRSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1F ZINC000611372163 347770749 /nfs/dbraw/zinc/77/07/49/347770749.db2.gz SGVVJSZEGUSEJH-LSDHHAIUSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1F ZINC000611372163 347770752 /nfs/dbraw/zinc/77/07/52/347770752.db2.gz SGVVJSZEGUSEJH-LSDHHAIUSA-N 1 2 290.338 2.077 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1cccc(COC)c1 ZINC000610994324 347730378 /nfs/dbraw/zinc/73/03/78/347730378.db2.gz CXKZXABMJSZJBQ-UHFFFAOYSA-N 1 2 262.353 2.195 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1cccc(COC)c1 ZINC000610994324 347730381 /nfs/dbraw/zinc/73/03/81/347730381.db2.gz CXKZXABMJSZJBQ-UHFFFAOYSA-N 1 2 262.353 2.195 20 30 CEEDLO C[C@H](C#N)CN(C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000611095418 347738690 /nfs/dbraw/zinc/73/86/90/347738690.db2.gz ADYVANHBTFZMMA-LLVKDONJSA-N 1 2 283.335 2.490 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC=CCC2)c(C#N)c1C ZINC000611517216 347789623 /nfs/dbraw/zinc/78/96/23/347789623.db2.gz IXZACAXMULNTOR-NSHDSACASA-N 1 2 273.336 2.357 20 30 CEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC=CCC2)c(C#N)c1C ZINC000611517216 347789626 /nfs/dbraw/zinc/78/96/26/347789626.db2.gz IXZACAXMULNTOR-NSHDSACASA-N 1 2 273.336 2.357 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000612167467 347853498 /nfs/dbraw/zinc/85/34/98/347853498.db2.gz NOGNHSRSQMOGBB-CZUORRHYSA-N 1 2 292.354 2.191 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000612167467 347853502 /nfs/dbraw/zinc/85/35/02/347853502.db2.gz NOGNHSRSQMOGBB-CZUORRHYSA-N 1 2 292.354 2.191 20 30 CEEDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(C#N)cs2)c1 ZINC000612346821 347872116 /nfs/dbraw/zinc/87/21/16/347872116.db2.gz YTLGNMAYHIQLTG-UHFFFAOYSA-N 1 2 272.333 2.333 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000623302375 349981521 /nfs/dbraw/zinc/98/15/21/349981521.db2.gz FCESETNGAILKGD-GFCCVEGCSA-N 1 2 259.353 2.061 20 30 CEEDLO COC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160044 348152437 /nfs/dbraw/zinc/15/24/37/348152437.db2.gz QDOFPCNLHYEQQI-UHFFFAOYSA-N 1 2 260.337 2.093 20 30 CEEDLO COC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160044 348152438 /nfs/dbraw/zinc/15/24/38/348152438.db2.gz QDOFPCNLHYEQQI-UHFFFAOYSA-N 1 2 260.337 2.093 20 30 CEEDLO N#C[C@@]1(F)CCN(Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000615650087 348367367 /nfs/dbraw/zinc/36/73/67/348367367.db2.gz DTPMZTDIXRLGNY-ZDUSSCGKSA-N 1 2 276.340 2.371 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000617778355 348788796 /nfs/dbraw/zinc/78/87/96/348788796.db2.gz DTNCGEDJYDXFGE-UONOGXRCSA-N 1 2 273.380 2.260 20 30 CEEDLO C=C(C)[C@H](CO)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000680900440 539669658 /nfs/dbraw/zinc/66/96/58/539669658.db2.gz QOVXRFADIKSZBO-ZFWWWQNUSA-N 1 2 280.437 2.364 20 30 CEEDLO C=CCOCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000618521701 348964948 /nfs/dbraw/zinc/96/49/48/348964948.db2.gz ZMZVDIZAMCYIKM-UHFFFAOYSA-N 1 2 299.374 2.254 20 30 CEEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csnn1 ZINC000618831323 349048055 /nfs/dbraw/zinc/04/80/55/349048055.db2.gz JZLUDMHPRXYWPU-CYBMUJFWSA-N 1 2 256.334 2.187 20 30 CEEDLO C=CCCOCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619012781 349092395 /nfs/dbraw/zinc/09/23/95/349092395.db2.gz HNHLQYONICXWTP-UHFFFAOYSA-N 1 2 259.309 2.174 20 30 CEEDLO C=C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000619699606 349220618 /nfs/dbraw/zinc/22/06/18/349220618.db2.gz BIKMNHIQNRDNDS-DZGCQCFKSA-N 1 2 259.349 2.424 20 30 CEEDLO C=C[C@@H]([NH2+]CCCc1cccc(F)c1)C(=O)OC ZINC000619701185 349221823 /nfs/dbraw/zinc/22/18/23/349221823.db2.gz AFOVBQATYYMKRG-CYBMUJFWSA-N 1 2 251.301 2.076 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1ccccc1C ZINC000619715777 349226090 /nfs/dbraw/zinc/22/60/90/349226090.db2.gz NYICUPVJBCLUTO-ZDUSSCGKSA-N 1 2 263.337 2.033 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccccc1C ZINC000619715777 349226094 /nfs/dbraw/zinc/22/60/94/349226094.db2.gz NYICUPVJBCLUTO-ZDUSSCGKSA-N 1 2 263.337 2.033 20 30 CEEDLO C=C[C@@H](C(=O)OC)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000619718499 349228322 /nfs/dbraw/zinc/22/83/22/349228322.db2.gz OVDQBRGRYQDAGE-HNNXBMFYSA-N 1 2 299.374 2.091 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000619720379 349229149 /nfs/dbraw/zinc/22/91/49/349229149.db2.gz FWFBIWFRJWORMQ-KGLIPLIRSA-N 1 2 279.311 2.006 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000619720379 349229151 /nfs/dbraw/zinc/22/91/51/349229151.db2.gz FWFBIWFRJWORMQ-KGLIPLIRSA-N 1 2 279.311 2.006 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000619721662 349229352 /nfs/dbraw/zinc/22/93/52/349229352.db2.gz LOUYGRYQHUZUOF-HNNXBMFYSA-N 1 2 259.349 2.389 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000619721662 349229355 /nfs/dbraw/zinc/22/93/55/349229355.db2.gz LOUYGRYQHUZUOF-HNNXBMFYSA-N 1 2 259.349 2.389 20 30 CEEDLO C[C@@H](C(=O)Nc1ccccc1CC#N)[NH+]1CCSCC1 ZINC000619873109 349242038 /nfs/dbraw/zinc/24/20/38/349242038.db2.gz VSCMXTRCTCZJAB-LBPRGKRZSA-N 1 2 289.404 2.128 20 30 CEEDLO C=C(C)COc1cc(C[NH2+]Cc2cnn[nH]2)ccc1OC ZINC000623578090 350057220 /nfs/dbraw/zinc/05/72/20/350057220.db2.gz ULYNBOFWFMXJMF-UHFFFAOYSA-N 1 2 288.351 2.058 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000091792611 180257057 /nfs/dbraw/zinc/25/70/57/180257057.db2.gz BLBHGJKACUBSRY-UHFFFAOYSA-N 1 2 295.390 2.302 20 30 CEEDLO Cc1[nH]ncc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000091792611 180257059 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/nfs/dbraw/zinc/04/03/71/378040371.db2.gz DDRXQMFQRXCQDC-LBPRGKRZSA-N 1 2 283.331 2.362 20 30 CEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000294814610 378021487 /nfs/dbraw/zinc/02/14/87/378021487.db2.gz GFWNDLADUOTTBY-AWEZNQCLSA-N 1 2 287.407 2.499 20 30 CEEDLO C=CCC[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OCC ZINC000449657734 378219029 /nfs/dbraw/zinc/21/90/29/378219029.db2.gz QLWVXWVRBMMMIA-ZDUSSCGKSA-N 1 2 250.342 2.013 20 30 CEEDLO C=CCCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000447961542 378164822 /nfs/dbraw/zinc/16/48/22/378164822.db2.gz CBAFJLNEBWJMSU-CYBMUJFWSA-N 1 2 276.384 2.334 20 30 CEEDLO C=CCOc1ccc(CC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000296180328 378442773 /nfs/dbraw/zinc/44/27/73/378442773.db2.gz ULIUJWROGMWQLX-UHFFFAOYSA-N 1 2 297.358 2.033 20 30 CEEDLO CC[C@@H]1C[N@H+](CC2(C#N)CCC2)CCN1CC(F)F ZINC000450635338 378510850 /nfs/dbraw/zinc/51/08/50/378510850.db2.gz BBNYKOINWMHDMF-GFCCVEGCSA-N 1 2 271.355 2.342 20 30 CEEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CCC2)CCN1CC(F)F ZINC000450635338 378510854 /nfs/dbraw/zinc/51/08/54/378510854.db2.gz BBNYKOINWMHDMF-GFCCVEGCSA-N 1 2 271.355 2.342 20 30 CEEDLO CC(C)n1ncc2cc(C[N@H+](C)CCC#N)cnc21 ZINC000505338485 379076753 /nfs/dbraw/zinc/07/67/53/379076753.db2.gz PEEFAXKVNBPCJM-UHFFFAOYSA-N 1 2 257.341 2.358 20 30 CEEDLO CC(C)n1ncc2cc(C[N@@H+](C)CCC#N)cnc21 ZINC000505338485 379076763 /nfs/dbraw/zinc/07/67/63/379076763.db2.gz PEEFAXKVNBPCJM-UHFFFAOYSA-N 1 2 257.341 2.358 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C)cccc1CC ZINC000266958212 190293561 /nfs/dbraw/zinc/29/35/61/190293561.db2.gz WDEFTDSQUWKSTI-UHFFFAOYSA-N 1 2 258.365 2.451 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C)cccc1CC ZINC000266958212 190293562 /nfs/dbraw/zinc/29/35/62/190293562.db2.gz WDEFTDSQUWKSTI-UHFFFAOYSA-N 1 2 258.365 2.451 20 30 CEEDLO COC1(C)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459392490 380062121 /nfs/dbraw/zinc/06/21/21/380062121.db2.gz WRRHGJXGHCCMOD-UHFFFAOYSA-N 1 2 289.335 2.467 20 30 CEEDLO C[C@H](O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459351950 380062612 /nfs/dbraw/zinc/06/26/12/380062612.db2.gz VFJLGILITQEMHU-NSHDSACASA-N 1 2 289.335 2.059 20 30 CEEDLO CCOC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000528724940 380065790 /nfs/dbraw/zinc/06/57/90/380065790.db2.gz ZSTSJTBGHVAPTJ-INIZCTEOSA-N 1 2 293.794 2.429 20 30 CEEDLO CCOC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000528724940 380065792 /nfs/dbraw/zinc/06/57/92/380065792.db2.gz ZSTSJTBGHVAPTJ-INIZCTEOSA-N 1 2 293.794 2.429 20 30 CEEDLO C=CCC(CC=C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000268209563 190386350 /nfs/dbraw/zinc/38/63/50/190386350.db2.gz OOMBOLSLOKSFAL-ZDUSSCGKSA-N 1 2 261.369 2.404 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000491289463 380298618 /nfs/dbraw/zinc/29/86/18/380298618.db2.gz ZAGQTJAJKAGTHQ-SECBINFHSA-N 1 2 259.309 2.400 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000491289463 380298624 /nfs/dbraw/zinc/29/86/24/380298624.db2.gz ZAGQTJAJKAGTHQ-SECBINFHSA-N 1 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/nfs/dbraw/zinc/53/68/18/380536818.db2.gz XIYWVTWTKXOEMK-HZMBPMFUSA-N 1 2 264.756 2.414 20 30 CEEDLO Cc1noc([C@@H](C)[N@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000554357615 380766689 /nfs/dbraw/zinc/76/66/89/380766689.db2.gz FPCBWFPROYCZAN-LLVKDONJSA-N 1 2 286.335 2.322 20 30 CEEDLO Cc1noc([C@@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000554357615 380766693 /nfs/dbraw/zinc/76/66/93/380766693.db2.gz FPCBWFPROYCZAN-LLVKDONJSA-N 1 2 286.335 2.322 20 30 CEEDLO CCn1cc(C[N@H+](C)CC#Cc2ccccc2)cn1 ZINC000555441787 380828474 /nfs/dbraw/zinc/82/84/74/380828474.db2.gz QHLLVJMZUIVGAW-UHFFFAOYSA-N 1 2 253.349 2.387 20 30 CEEDLO CCn1cc(C[N@@H+](C)CC#Cc2ccccc2)cn1 ZINC000555441787 380828480 /nfs/dbraw/zinc/82/84/80/380828480.db2.gz QHLLVJMZUIVGAW-UHFFFAOYSA-N 1 2 253.349 2.387 20 30 CEEDLO CCc1ccc([C@H](C#N)NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493854485 381149451 /nfs/dbraw/zinc/14/94/51/381149451.db2.gz LXRAKEJSLOPXJP-KIUWMYQTSA-N 1 2 280.331 2.366 20 30 CEEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000494623155 381159753 /nfs/dbraw/zinc/15/97/53/381159753.db2.gz CHGHIPGFCWKQIB-UHFFFAOYSA-N 1 2 259.309 2.363 20 30 CEEDLO C=CC[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000494623155 381159766 /nfs/dbraw/zinc/15/97/66/381159766.db2.gz CHGHIPGFCWKQIB-UHFFFAOYSA-N 1 2 259.309 2.363 20 30 CEEDLO CN(CC[N@H+](C)CC1(C#N)CC1)C(=O)OC(C)(C)C ZINC000494711028 381162149 /nfs/dbraw/zinc/16/21/49/381162149.db2.gz MYFMKFMPIHINQH-UHFFFAOYSA-N 1 2 267.373 2.089 20 30 CEEDLO CN(CC[N@@H+](C)CC1(C#N)CC1)C(=O)OC(C)(C)C ZINC000494711028 381162151 /nfs/dbraw/zinc/16/21/51/381162151.db2.gz MYFMKFMPIHINQH-UHFFFAOYSA-N 1 2 267.373 2.089 20 30 CEEDLO N#CCC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495616679 381179227 /nfs/dbraw/zinc/17/92/27/381179227.db2.gz FZWLGQDESMSXOD-AWEZNQCLSA-N 1 2 279.384 2.423 20 30 CEEDLO N#CCC[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495616679 381179233 /nfs/dbraw/zinc/17/92/33/381179233.db2.gz FZWLGQDESMSXOD-AWEZNQCLSA-N 1 2 279.384 2.423 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(CC)c1 ZINC000191073874 542339122 /nfs/dbraw/zinc/33/91/22/542339122.db2.gz BUEUMLSYHUKXBZ-UHFFFAOYSA-N 1 2 276.380 2.322 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(CC)c1 ZINC000191073874 542339125 /nfs/dbraw/zinc/33/91/25/542339125.db2.gz BUEUMLSYHUKXBZ-UHFFFAOYSA-N 1 2 276.380 2.322 20 30 CEEDLO O=c1cc2c(n[nH]1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000336588718 285381901 /nfs/dbraw/zinc/38/19/01/285381901.db2.gz YKIWAXOAKAWXDQ-UHFFFAOYSA-N 1 2 299.761 2.245 20 30 CEEDLO O=c1cc2c(n[nH]1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000336588718 285381906 /nfs/dbraw/zinc/38/19/06/285381906.db2.gz YKIWAXOAKAWXDQ-UHFFFAOYSA-N 1 2 299.761 2.245 20 30 CEEDLO CSCC[C@@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000344675260 533630483 /nfs/dbraw/zinc/63/04/83/533630483.db2.gz OUEHZTHZTYSPKO-AWEZNQCLSA-N 1 2 288.376 2.099 20 30 CEEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)n(C)c1 ZINC000191407533 130232572 /nfs/dbraw/zinc/23/25/72/130232572.db2.gz NIGSANHPNXTYMH-UHFFFAOYSA-N 1 2 291.395 2.449 20 30 CEEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)n(C)c1 ZINC000191407533 130232574 /nfs/dbraw/zinc/23/25/74/130232574.db2.gz NIGSANHPNXTYMH-UHFFFAOYSA-N 1 2 291.395 2.449 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000246354965 131093383 /nfs/dbraw/zinc/09/33/83/131093383.db2.gz KOODXVAQZSIINV-RHSMWYFYSA-N 1 2 296.374 2.217 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000246354965 131093385 /nfs/dbraw/zinc/09/33/85/131093385.db2.gz KOODXVAQZSIINV-RHSMWYFYSA-N 1 2 296.374 2.217 20 30 CEEDLO CN(C)c1ncc(C[N@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC000356216769 394564484 /nfs/dbraw/zinc/56/44/84/394564484.db2.gz KIDRZEGNRXDQMI-UHFFFAOYSA-N 1 2 299.353 2.185 20 30 CEEDLO CN(C)c1ncc(C[N@@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC000356216769 394564490 /nfs/dbraw/zinc/56/44/90/394564490.db2.gz KIDRZEGNRXDQMI-UHFFFAOYSA-N 1 2 299.353 2.185 20 30 CEEDLO C[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000064140939 394572383 /nfs/dbraw/zinc/57/23/83/394572383.db2.gz ZLCXDTCYQQJINE-UHFFFAOYSA-N 1 2 268.320 2.451 20 30 CEEDLO C[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000064140939 394572386 /nfs/dbraw/zinc/57/23/86/394572386.db2.gz ZLCXDTCYQQJINE-UHFFFAOYSA-N 1 2 268.320 2.451 20 30 CEEDLO CC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329599772 394575523 /nfs/dbraw/zinc/57/55/23/394575523.db2.gz JWMSEGDECKMRKL-NEPJUHHUSA-N 1 2 276.384 2.303 20 30 CEEDLO CC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329599772 394575524 /nfs/dbraw/zinc/57/55/24/394575524.db2.gz JWMSEGDECKMRKL-NEPJUHHUSA-N 1 2 276.384 2.303 20 30 CEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](C2CC2)C1 ZINC000329912556 394594324 /nfs/dbraw/zinc/59/43/24/394594324.db2.gz OHSKIMGNHOHYKW-JSGCOSHPSA-N 1 2 288.395 2.091 20 30 CEEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCCCS1 ZINC000329767074 394584689 /nfs/dbraw/zinc/58/46/89/394584689.db2.gz YYROBIQUQRGLKX-NSHDSACASA-N 1 2 282.413 2.052 20 30 CEEDLO O=C(C[C@H]1CCOC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329799850 394586237 /nfs/dbraw/zinc/58/62/37/394586237.db2.gz YADJIYJHAPZEJM-CYBMUJFWSA-N 1 2 289.379 2.434 20 30 CEEDLO Cc1nnc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000048707249 394523475 /nfs/dbraw/zinc/52/34/75/394523475.db2.gz AWRMPTICTVHVPI-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000048707249 394523477 /nfs/dbraw/zinc/52/34/77/394523477.db2.gz AWRMPTICTVHVPI-SNVBAGLBSA-N 1 2 256.309 2.443 20 30 CEEDLO C[N@H+](Cc1ccon1)Cc1ccc(OCC#N)cc1 ZINC000265837602 394654181 /nfs/dbraw/zinc/65/41/81/394654181.db2.gz VTESBGIKRMULOW-UHFFFAOYSA-N 1 2 257.293 2.209 20 30 CEEDLO C[N@@H+](Cc1ccon1)Cc1ccc(OCC#N)cc1 ZINC000265837602 394654182 /nfs/dbraw/zinc/65/41/82/394654182.db2.gz VTESBGIKRMULOW-UHFFFAOYSA-N 1 2 257.293 2.209 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(F)cc(F)cc3C2)C1=O ZINC000334188237 394661173 /nfs/dbraw/zinc/66/11/73/394661173.db2.gz HFIMWXCNYPKDOR-OAHLLOKOSA-N 1 2 292.329 2.110 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(F)cc(F)cc3C2)C1=O ZINC000334188237 394661176 /nfs/dbraw/zinc/66/11/76/394661176.db2.gz HFIMWXCNYPKDOR-OAHLLOKOSA-N 1 2 292.329 2.110 20 30 CEEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)ccc1C ZINC000330617529 394621730 /nfs/dbraw/zinc/62/17/30/394621730.db2.gz GFJIPHNMMBAOES-CYBMUJFWSA-N 1 2 292.379 2.029 20 30 CEEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)ccc1C ZINC000330617529 394621737 /nfs/dbraw/zinc/62/17/37/394621737.db2.gz GFJIPHNMMBAOES-CYBMUJFWSA-N 1 2 292.379 2.029 20 30 CEEDLO Cc1ncsc1CCO[NH+]=C(N)COc1ccccc1 ZINC000267138264 394673328 /nfs/dbraw/zinc/67/33/28/394673328.db2.gz XHKXNICZZGBXSQ-UHFFFAOYSA-N 1 2 291.376 2.362 20 30 CEEDLO CCN(CCC#N)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000267420916 394678391 /nfs/dbraw/zinc/67/83/91/394678391.db2.gz CRJHKWJLZUAKFB-UHFFFAOYSA-N 1 2 271.324 2.410 20 30 CEEDLO C=CCN(Cc1cccs1)C(=O)NCc1c[nH+]cn1C ZINC000358120690 394710069 /nfs/dbraw/zinc/71/00/69/394710069.db2.gz QRUBOJQETQSEAC-UHFFFAOYSA-N 1 2 290.392 2.379 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269638631 394719479 /nfs/dbraw/zinc/71/94/79/394719479.db2.gz NKWPYHHNPBOEOW-CHWSQXEVSA-N 1 2 257.341 2.033 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269638631 394719481 /nfs/dbraw/zinc/71/94/81/394719481.db2.gz NKWPYHHNPBOEOW-CHWSQXEVSA-N 1 2 257.341 2.033 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269638635 394719910 /nfs/dbraw/zinc/71/99/10/394719910.db2.gz NKWPYHHNPBOEOW-OLZOCXBDSA-N 1 2 257.341 2.033 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000269638635 394719913 /nfs/dbraw/zinc/71/99/13/394719913.db2.gz NKWPYHHNPBOEOW-OLZOCXBDSA-N 1 2 257.341 2.033 20 30 CEEDLO N#CC1(C[NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000359619760 394765229 /nfs/dbraw/zinc/76/52/29/394765229.db2.gz VYRCEBDYQOGWEU-LBPRGKRZSA-N 1 2 295.180 2.376 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC000361106593 394815468 /nfs/dbraw/zinc/81/54/68/394815468.db2.gz FRLUVFKPVMEGFP-MCIONIFRSA-N 1 2 269.385 2.289 20 30 CEEDLO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)nnn2C)C1CC1 ZINC000338348817 394915518 /nfs/dbraw/zinc/91/55/18/394915518.db2.gz LIHKLDGXZIQOOB-LLVKDONJSA-N 1 2 269.352 2.092 20 30 CEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)nnn2C)C1CC1 ZINC000338348817 394915519 /nfs/dbraw/zinc/91/55/19/394915519.db2.gz LIHKLDGXZIQOOB-LLVKDONJSA-N 1 2 269.352 2.092 20 30 CEEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000366093693 394937686 /nfs/dbraw/zinc/93/76/86/394937686.db2.gz OYOOPWYAWZMYEQ-SDDRHHMPSA-N 1 2 290.201 2.163 20 30 CEEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000366093693 394937690 /nfs/dbraw/zinc/93/76/90/394937690.db2.gz OYOOPWYAWZMYEQ-SDDRHHMPSA-N 1 2 290.201 2.163 20 30 CEEDLO CC#CC[N@@H+]1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000366378875 394943569 /nfs/dbraw/zinc/94/35/69/394943569.db2.gz PAHCVDMNDVRBMF-AWEZNQCLSA-N 1 2 254.333 2.341 20 30 CEEDLO CC#CC[N@H+]1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000366378875 394943571 /nfs/dbraw/zinc/94/35/71/394943571.db2.gz PAHCVDMNDVRBMF-AWEZNQCLSA-N 1 2 254.333 2.341 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000285986476 394995881 /nfs/dbraw/zinc/99/58/81/394995881.db2.gz OFZZKCHPIAWANN-HGQUKEQDSA-N 1 2 276.405 2.290 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000285986476 394995882 /nfs/dbraw/zinc/99/58/82/394995882.db2.gz OFZZKCHPIAWANN-HGQUKEQDSA-N 1 2 276.405 2.290 20 30 CEEDLO C=C(C)[C@H](CC(=O)N(C)c1ccc[nH+]c1N(C)C)OCC ZINC000339436473 394959997 /nfs/dbraw/zinc/95/99/97/394959997.db2.gz CPWFEAIILUSXHI-AWEZNQCLSA-N 1 2 291.395 2.482 20 30 CEEDLO CC1(C)C[N@H+](CCOCCC#N)C[C@](C)(C(F)(F)F)O1 ZINC000339447116 394961433 /nfs/dbraw/zinc/96/14/33/394961433.db2.gz XDQCBLKRFJHFBG-GFCCVEGCSA-N 1 2 294.317 2.348 20 30 CEEDLO CC1(C)C[N@@H+](CCOCCC#N)C[C@](C)(C(F)(F)F)O1 ZINC000339447116 394961434 /nfs/dbraw/zinc/96/14/34/394961434.db2.gz XDQCBLKRFJHFBG-GFCCVEGCSA-N 1 2 294.317 2.348 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000339762343 394970468 /nfs/dbraw/zinc/97/04/68/394970468.db2.gz HCKQVHCVVLRELD-SNVBAGLBSA-N 1 2 266.291 2.247 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000339762343 394970471 /nfs/dbraw/zinc/97/04/71/394970471.db2.gz HCKQVHCVVLRELD-SNVBAGLBSA-N 1 2 266.291 2.247 20 30 CEEDLO C=C(C)COCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000151526672 394977486 /nfs/dbraw/zinc/97/74/86/394977486.db2.gz UGJXROVMNMLXCS-ZDUSSCGKSA-N 1 2 292.383 2.239 20 30 CEEDLO Cc1cc(NC[C@H](CCO)c2ccccc2)c(C#N)c[nH+]1 ZINC000425223647 395052026 /nfs/dbraw/zinc/05/20/26/395052026.db2.gz CHSVPELJQGWKHL-HNNXBMFYSA-N 1 2 281.359 2.262 20 30 CEEDLO Cc1cc(N[C@@H]2CCc3c2cccc3O)c(C#N)c[nH+]1 ZINC000425223265 395052261 /nfs/dbraw/zinc/05/22/61/395052261.db2.gz BYPMSMGBOAYONR-CQSZACIVSA-N 1 2 265.316 2.489 20 30 CEEDLO Cc1cc(NCc2nnc(C(C)C)s2)c(C#N)c[nH+]1 ZINC000425234329 395053432 /nfs/dbraw/zinc/05/34/32/395053432.db2.gz HOXCCSMJKQIIDM-UHFFFAOYSA-N 1 2 273.365 2.271 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425259519 395054835 /nfs/dbraw/zinc/05/48/35/395054835.db2.gz MFPFCDDGTDREDZ-SWLSCSKDSA-N 1 2 257.337 2.077 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000373848548 395066980 /nfs/dbraw/zinc/06/69/80/395066980.db2.gz CUKBSZXBOYFCAX-SFHVURJKSA-N 1 2 295.386 2.371 20 30 CEEDLO C=CC[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000427014973 395089195 /nfs/dbraw/zinc/08/91/95/395089195.db2.gz JILIBDRMDUOKND-CYBMUJFWSA-N 1 2 255.321 2.386 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000343762903 395044770 /nfs/dbraw/zinc/04/47/70/395044770.db2.gz HWEYQDLTKXNKND-SQWLQELKSA-N 1 2 280.412 2.321 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000343762903 395044773 /nfs/dbraw/zinc/04/47/73/395044773.db2.gz HWEYQDLTKXNKND-SQWLQELKSA-N 1 2 280.412 2.321 20 30 CEEDLO COC(=O)[C@H]1C[N@H+](CCC#N)C[C@@H]1c1ccc(F)cc1F ZINC000376311608 395115937 /nfs/dbraw/zinc/11/59/37/395115937.db2.gz OVJSSDQDMVQQNK-OLZOCXBDSA-N 1 2 294.301 2.067 20 30 CEEDLO COC(=O)[C@H]1C[N@@H+](CCC#N)C[C@@H]1c1ccc(F)cc1F ZINC000376311608 395115943 /nfs/dbraw/zinc/11/59/43/395115943.db2.gz OVJSSDQDMVQQNK-OLZOCXBDSA-N 1 2 294.301 2.067 20 30 CEEDLO COCCCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000174112369 395120653 /nfs/dbraw/zinc/12/06/53/395120653.db2.gz LYHJMMUGKRSKBH-UHFFFAOYSA-N 1 2 296.367 2.157 20 30 CEEDLO C[N@H+](CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000376461154 395121524 /nfs/dbraw/zinc/12/15/24/395121524.db2.gz BXZIEWZHXLSSDK-GFCCVEGCSA-N 1 2 267.373 2.231 20 30 CEEDLO C[N@@H+](CC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000376461154 395121527 /nfs/dbraw/zinc/12/15/27/395121527.db2.gz BXZIEWZHXLSSDK-GFCCVEGCSA-N 1 2 267.373 2.231 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000292930563 395211048 /nfs/dbraw/zinc/21/10/48/395211048.db2.gz IXNLJRQLTMGFNX-AWEZNQCLSA-N 1 2 278.783 2.172 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000292930563 395211049 /nfs/dbraw/zinc/21/10/49/395211049.db2.gz IXNLJRQLTMGFNX-AWEZNQCLSA-N 1 2 278.783 2.172 20 30 CEEDLO C=CCC(C)(C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000293050660 395215943 /nfs/dbraw/zinc/21/59/43/395215943.db2.gz MJDKOUPLVRAEPK-LBPRGKRZSA-N 1 2 264.373 2.173 20 30 CEEDLO CC#CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293171926 395222564 /nfs/dbraw/zinc/22/25/64/395222564.db2.gz PHWJWJQKTUOUDD-UHFFFAOYSA-N 1 2 259.265 2.191 20 30 CEEDLO CC#CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293171926 395222566 /nfs/dbraw/zinc/22/25/66/395222566.db2.gz PHWJWJQKTUOUDD-UHFFFAOYSA-N 1 2 259.265 2.191 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)NC1CC1)Cc1cnn(C(C)C)c1 ZINC000352957997 395281439 /nfs/dbraw/zinc/28/14/39/395281439.db2.gz XEJXFSCYIJWZRH-UHFFFAOYSA-N 1 2 290.411 2.121 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)NC1CC1)Cc1cnn(C(C)C)c1 ZINC000352957997 395281447 /nfs/dbraw/zinc/28/14/47/395281447.db2.gz XEJXFSCYIJWZRH-UHFFFAOYSA-N 1 2 290.411 2.121 20 30 CEEDLO COc1cccc([C@H](CNc2cc(C)[nH+]cc2C#N)OC)c1 ZINC000528070696 395284002 /nfs/dbraw/zinc/28/40/02/395284002.db2.gz PGFRRTNGGGTSHF-KRWDZBQOSA-N 1 2 297.358 2.492 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296435882 395320486 /nfs/dbraw/zinc/32/04/86/395320486.db2.gz WKZLKYNJPGBQPT-ZDUSSCGKSA-N 1 2 298.180 2.056 20 30 CEEDLO C#CC[N@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296435882 395320489 /nfs/dbraw/zinc/32/04/89/395320489.db2.gz WKZLKYNJPGBQPT-ZDUSSCGKSA-N 1 2 298.180 2.056 20 30 CEEDLO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C#N)c1 ZINC000419254852 395255831 /nfs/dbraw/zinc/25/58/31/395255831.db2.gz FUVNVICKDYNCRJ-RCBQFDQVSA-N 1 2 297.358 2.444 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000193032500 395399726 /nfs/dbraw/zinc/39/97/26/395399726.db2.gz GAYXPJHYTLIRGL-SRVKXCTJSA-N 1 2 252.358 2.389 20 30 CEEDLO C[C@@H](C#N)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354433291 395331530 /nfs/dbraw/zinc/33/15/30/395331530.db2.gz ATIJKSXYBCTZSW-NSHDSACASA-N 1 2 282.347 2.332 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411776998 395338904 /nfs/dbraw/zinc/33/89/04/395338904.db2.gz DHWCYWDQCCMOCS-CQSZACIVSA-N 1 2 289.354 2.413 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411776998 395338911 /nfs/dbraw/zinc/33/89/11/395338911.db2.gz DHWCYWDQCCMOCS-CQSZACIVSA-N 1 2 289.354 2.413 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872171 395341430 /nfs/dbraw/zinc/34/14/30/395341430.db2.gz JAKGRGCJEIVROR-HOCLYGCPSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411872171 395341433 /nfs/dbraw/zinc/34/14/33/395341433.db2.gz JAKGRGCJEIVROR-HOCLYGCPSA-N 1 2 292.423 2.076 20 30 CEEDLO Cc1c(Cl)c(CNc2cc(CC#N)cc[nH+]2)nn1C ZINC000567623340 395534835 /nfs/dbraw/zinc/53/48/35/395534835.db2.gz SLCMBEUJCAUJBN-UHFFFAOYSA-N 1 2 275.743 2.455 20 30 CEEDLO CSc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000573200002 395602686 /nfs/dbraw/zinc/60/26/86/395602686.db2.gz RUYTXBQRSGSBHU-ZDUSSCGKSA-N 1 2 279.409 2.027 20 30 CEEDLO CSc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000573200002 395602687 /nfs/dbraw/zinc/60/26/87/395602687.db2.gz RUYTXBQRSGSBHU-ZDUSSCGKSA-N 1 2 279.409 2.027 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2s1 ZINC000568344573 395554754 /nfs/dbraw/zinc/55/47/54/395554754.db2.gz HDCNJRMNLAISFN-HNNXBMFYSA-N 1 2 287.388 2.475 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000568996313 395571838 /nfs/dbraw/zinc/57/18/38/395571838.db2.gz DVFPEKJIUPVHNS-GOEBONIOSA-N 1 2 273.380 2.126 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000568996313 395571840 /nfs/dbraw/zinc/57/18/40/395571840.db2.gz DVFPEKJIUPVHNS-GOEBONIOSA-N 1 2 273.380 2.126 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CCOCC1 ZINC000569112130 395573696 /nfs/dbraw/zinc/57/36/96/395573696.db2.gz OBIVIPAMXATPDR-OLZOCXBDSA-N 1 2 289.379 2.378 20 30 CEEDLO C=C(C)CNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000569987142 395580980 /nfs/dbraw/zinc/58/09/80/395580980.db2.gz QWQFUNWMNVLOIE-VIFPVBQESA-N 1 2 275.274 2.148 20 30 CEEDLO CCCNC(=O)CCC[N@H+](CCC#N)Cc1ccco1 ZINC000572055915 395585440 /nfs/dbraw/zinc/58/54/40/395585440.db2.gz QUYCVTFVSOECIC-UHFFFAOYSA-N 1 2 277.368 2.302 20 30 CEEDLO CCCNC(=O)CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000572055915 395585443 /nfs/dbraw/zinc/58/54/43/395585443.db2.gz QUYCVTFVSOECIC-UHFFFAOYSA-N 1 2 277.368 2.302 20 30 CEEDLO CSc1c(F)cccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000574045653 395625455 /nfs/dbraw/zinc/62/54/55/395625455.db2.gz TUCMUKKXBPUDPS-CQSZACIVSA-N 1 2 295.383 2.121 20 30 CEEDLO Cn1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000459609117 395666481 /nfs/dbraw/zinc/66/64/81/395666481.db2.gz IPEQPNWQSJXUMQ-UHFFFAOYSA-N 1 2 267.332 2.160 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000646785187 396381317 /nfs/dbraw/zinc/38/13/17/396381317.db2.gz YZVIYDLKSQOQJI-AWEZNQCLSA-N 1 2 270.288 2.359 20 30 CEEDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000360138796 155226330 /nfs/dbraw/zinc/22/63/30/155226330.db2.gz HWCYLKVEABNPOK-TVQRCGJNSA-N 1 2 250.729 2.024 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000360138796 155226333 /nfs/dbraw/zinc/22/63/33/155226333.db2.gz HWCYLKVEABNPOK-TVQRCGJNSA-N 1 2 250.729 2.024 20 30 CEEDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000191915677 153197097 /nfs/dbraw/zinc/19/70/97/153197097.db2.gz PAXYGPBXEREAHU-UHFFFAOYSA-N 1 2 277.343 2.044 20 30 CEEDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000191915677 153197101 /nfs/dbraw/zinc/19/71/01/153197101.db2.gz PAXYGPBXEREAHU-UHFFFAOYSA-N 1 2 277.343 2.044 20 30 CEEDLO N#Cc1cnccc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000372952979 156807066 /nfs/dbraw/zinc/80/70/66/156807066.db2.gz SNDJVCTXXQUBLL-UHFFFAOYSA-N 1 2 279.347 2.065 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000375934054 157163662 /nfs/dbraw/zinc/16/36/62/157163662.db2.gz ULEMMEUPYIMETH-OAHLLOKOSA-N 1 2 294.358 2.312 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)c3ccnc(C#N)c3)cc2[nH+]1 ZINC000170015269 162372208 /nfs/dbraw/zinc/37/22/08/162372208.db2.gz YBHBAYYGTLTHIO-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO Cc1[nH]c2cc(NC(=O)c3ccnc(C#N)c3)ccc2[nH+]1 ZINC000170015269 162372212 /nfs/dbraw/zinc/37/22/12/162372212.db2.gz YBHBAYYGTLTHIO-UHFFFAOYSA-N 1 2 277.287 2.390 20 30 CEEDLO CC(C)[C@H]([NH2+]Cc1ccccc1C#N)c1nncn1C ZINC000285398706 196272245 /nfs/dbraw/zinc/27/22/45/196272245.db2.gz OOHDMSGDRUVCME-AWEZNQCLSA-N 1 2 269.352 2.174 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cccc(O)c2)nn1 ZINC000653603465 415051625 /nfs/dbraw/zinc/05/16/25/415051625.db2.gz OJKLZNARMXBYMI-GFCCVEGCSA-N 1 2 272.352 2.411 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)nn1 ZINC000653776524 415099593 /nfs/dbraw/zinc/09/95/93/415099593.db2.gz KEYLHELLLRTAMB-CQSZACIVSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)nn1 ZINC000653776524 415099598 /nfs/dbraw/zinc/09/95/98/415099598.db2.gz KEYLHELLLRTAMB-CQSZACIVSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CC[C@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000664253947 415245725 /nfs/dbraw/zinc/24/57/25/415245725.db2.gz RUYFQGOXMXNCEN-ZDUSSCGKSA-N 1 2 269.352 2.455 20 30 CEEDLO C=CCCn1cc(C[NH+]2CCC3(CCCC3=O)CC2)nn1 ZINC000661963258 415543165 /nfs/dbraw/zinc/54/31/65/415543165.db2.gz YKVFSMKMTXKNBS-UHFFFAOYSA-N 1 2 288.395 2.189 20 30 CEEDLO C=CCCn1cc(-c2nc(Cc3c[nH+]ccc3C)no2)nn1 ZINC000664985057 415544823 /nfs/dbraw/zinc/54/48/23/415544823.db2.gz TXKPRRYFYAUGML-UHFFFAOYSA-N 1 2 296.334 2.198 20 30 CEEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000662092570 415621763 /nfs/dbraw/zinc/62/17/63/415621763.db2.gz QSYJQDXZKUYXOI-STQMWFEESA-N 1 2 276.384 2.479 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000662168103 415666723 /nfs/dbraw/zinc/66/67/23/415666723.db2.gz YAJWHXYYYHRTQQ-CQSZACIVSA-N 1 2 287.363 2.497 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)COc1ccccc1C#N ZINC000071883922 176289111 /nfs/dbraw/zinc/28/91/11/176289111.db2.gz SFMOMCAMXGWQGK-UHFFFAOYSA-N 1 2 267.288 2.279 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000078596643 177358048 /nfs/dbraw/zinc/35/80/48/177358048.db2.gz JXECSFGWNFUECX-ZDUSSCGKSA-N 1 2 287.363 2.240 20 30 CEEDLO C[C@]1(F)CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000347387575 226141703 /nfs/dbraw/zinc/14/17/03/226141703.db2.gz QPVRTFLMGDNICU-INIZCTEOSA-N 1 2 289.354 2.367 20 30 CEEDLO C[C@]1(F)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000347387575 226141706 /nfs/dbraw/zinc/14/17/06/226141706.db2.gz QPVRTFLMGDNICU-INIZCTEOSA-N 1 2 289.354 2.367 20 30 CEEDLO COc1ccc(OC)c(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352831869 227305909 /nfs/dbraw/zinc/30/59/09/227305909.db2.gz CZVSRJCHUHTSNG-UHFFFAOYSA-N 1 2 289.360 2.322 20 30 CEEDLO O=C(C[C@@H]1CCOC1)NCc1ccn2cc[nH+]c2c1 ZINC000330030116 228022056 /nfs/dbraw/zinc/02/20/56/228022056.db2.gz RBLYMASBDGCDHF-LBPRGKRZSA-N 1 2 259.309 2.217 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCSC1 ZINC000330209200 228066789 /nfs/dbraw/zinc/06/67/89/228066789.db2.gz HJESFPAONQXDMI-NWDGAFQWSA-N 1 2 294.424 2.160 20 30 CEEDLO CC#CCN(C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000297396721 260125864 /nfs/dbraw/zinc/12/58/64/260125864.db2.gz KTQOSNCLLMSFSP-UHFFFAOYSA-N 1 2 288.395 2.093 20 30 CEEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000299287555 260180605 /nfs/dbraw/zinc/18/06/05/260180605.db2.gz NQLXHAHFNYZGNI-OAHLLOKOSA-N 1 2 268.360 2.199 20 30 CEEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(F)c(F)c2)no1 ZINC000067099110 260250398 /nfs/dbraw/zinc/25/03/98/260250398.db2.gz NLMVWWCBFHWYFM-UHFFFAOYSA-N 1 2 296.277 2.137 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCCn2cccn2)c1O ZINC000078368797 260300564 /nfs/dbraw/zinc/30/05/64/260300564.db2.gz LCRPBEMCGGITBK-FOWTUZBSSA-N 1 2 273.336 2.497 20 30 CEEDLO N#CCC[N@@H+](CC(=O)NCc1ccccc1F)CC1CC1 ZINC000081044869 260329654 /nfs/dbraw/zinc/32/96/54/260329654.db2.gz VYVGJXQYIMVAHU-UHFFFAOYSA-N 1 2 289.354 2.068 20 30 CEEDLO N#CCC[N@H+](CC(=O)NCc1ccccc1F)CC1CC1 ZINC000081044869 260329655 /nfs/dbraw/zinc/32/96/55/260329655.db2.gz VYVGJXQYIMVAHU-UHFFFAOYSA-N 1 2 289.354 2.068 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173848796 261172585 /nfs/dbraw/zinc/17/25/85/261172585.db2.gz GNCDEMQCDYAVLB-UHFFFAOYSA-N 1 2 294.439 2.446 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000173848796 261172586 /nfs/dbraw/zinc/17/25/86/261172586.db2.gz GNCDEMQCDYAVLB-UHFFFAOYSA-N 1 2 294.439 2.446 20 30 CEEDLO CCC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OCC ZINC000174048349 261555048 /nfs/dbraw/zinc/55/50/48/261555048.db2.gz ZFWRFRTZWFVUKP-HNNXBMFYSA-N 1 2 290.363 2.410 20 30 CEEDLO C#C[C@H](C)[N@H+](C)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000491638095 261712705 /nfs/dbraw/zinc/71/27/05/261712705.db2.gz XWQIUONESQFWAN-WMLDXEAASA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000491638095 261712707 /nfs/dbraw/zinc/71/27/07/261712707.db2.gz XWQIUONESQFWAN-WMLDXEAASA-N 1 2 270.376 2.088 20 30 CEEDLO C#C[C@H]1COCC[N@H+]1CCCCOc1ccccc1 ZINC000491807401 262073642 /nfs/dbraw/zinc/07/36/42/262073642.db2.gz SPTCNJXICUZNMN-HNNXBMFYSA-N 1 2 259.349 2.180 20 30 CEEDLO C#C[C@H]1COCC[N@@H+]1CCCCOc1ccccc1 ZINC000491807401 262073640 /nfs/dbraw/zinc/07/36/40/262073640.db2.gz SPTCNJXICUZNMN-HNNXBMFYSA-N 1 2 259.349 2.180 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC000188915223 262164729 /nfs/dbraw/zinc/16/47/29/262164729.db2.gz OOCYBQHRIRXHRV-UHFFFAOYSA-N 1 2 262.357 2.131 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC000188915223 262164730 /nfs/dbraw/zinc/16/47/30/262164730.db2.gz OOCYBQHRIRXHRV-UHFFFAOYSA-N 1 2 262.357 2.131 20 30 CEEDLO N#C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC000492919117 262248664 /nfs/dbraw/zinc/24/86/64/262248664.db2.gz GVPHTDLLJGUAMP-HCDJPTGHSA-N 1 2 292.342 2.189 20 30 CEEDLO COC(C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)OC ZINC000364579515 262255558 /nfs/dbraw/zinc/25/55/58/262255558.db2.gz MXXYPDKFAKUQQC-GJZGRUSLSA-N 1 2 274.364 2.377 20 30 CEEDLO COC(C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)OC ZINC000364579515 262255559 /nfs/dbraw/zinc/25/55/59/262255559.db2.gz MXXYPDKFAKUQQC-GJZGRUSLSA-N 1 2 274.364 2.377 20 30 CEEDLO CC(C)OCc1nc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)no1 ZINC000339203313 262614732 /nfs/dbraw/zinc/61/47/32/262614732.db2.gz HZNURQBUFLIKLI-SRVKXCTJSA-N 1 2 278.356 2.337 20 30 CEEDLO N#CCN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000265664687 262910824 /nfs/dbraw/zinc/91/08/24/262910824.db2.gz CTLDWHCRXQOIRT-UHFFFAOYSA-N 1 2 295.346 2.176 20 30 CEEDLO CC1(C#N)CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000272629073 263007777 /nfs/dbraw/zinc/00/77/77/263007777.db2.gz VYEVBURSHHCURG-UHFFFAOYSA-N 1 2 292.404 2.086 20 30 CEEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000273359938 263015881 /nfs/dbraw/zinc/01/58/81/263015881.db2.gz CVJQVWJARGODAL-ZIAGYGMSSA-N 1 2 294.399 2.359 20 30 CEEDLO COc1ccc(OC)c2c1C[N@@H+]([C@H](C)CCC#N)C[C@H]2O ZINC000276280610 263035565 /nfs/dbraw/zinc/03/55/65/263035565.db2.gz FROJOQSCOOHIGR-DGCLKSJQSA-N 1 2 290.363 2.245 20 30 CEEDLO COc1ccc(OC)c2c1C[N@H+]([C@H](C)CCC#N)C[C@H]2O ZINC000276280610 263035566 /nfs/dbraw/zinc/03/55/66/263035566.db2.gz FROJOQSCOOHIGR-DGCLKSJQSA-N 1 2 290.363 2.245 20 30 CEEDLO CC1(C)CCCN(C(=O)Cc2cn3ccccc3[nH+]2)[C@H]1C#N ZINC000277866943 263044229 /nfs/dbraw/zinc/04/42/29/263044229.db2.gz KDOWLSXWFUJBGN-AWEZNQCLSA-N 1 2 296.374 2.418 20 30 CEEDLO COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CCCCC#N ZINC000281114901 263066645 /nfs/dbraw/zinc/06/66/45/263066645.db2.gz XWCHXPRMYPQCLK-OAHLLOKOSA-N 1 2 274.364 2.363 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1C ZINC000282212271 263075171 /nfs/dbraw/zinc/07/51/71/263075171.db2.gz OLYRDQHFVDMSMJ-CYBMUJFWSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1C ZINC000282212271 263075172 /nfs/dbraw/zinc/07/51/72/263075172.db2.gz OLYRDQHFVDMSMJ-CYBMUJFWSA-N 1 2 285.391 2.150 20 30 CEEDLO CO/N=C/C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000282883102 263079277 /nfs/dbraw/zinc/07/92/77/263079277.db2.gz BKHILDOXGKXBER-LICLKQGHSA-N 1 2 298.346 2.457 20 30 CEEDLO CC(C)Oc1cc[nH+]cc1COC(=O)C(C)(C)C#N ZINC000286912027 263100164 /nfs/dbraw/zinc/10/01/64/263100164.db2.gz KFGXWGURPXIZIV-UHFFFAOYSA-N 1 2 262.309 2.462 20 30 CEEDLO CCc1ccc([C@@H](C#N)NC(=O)CCn2cc[nH+]c2)cc1 ZINC000290121549 263114812 /nfs/dbraw/zinc/11/48/12/263114812.db2.gz GJZSVQDARDDIKE-OAHLLOKOSA-N 1 2 282.347 2.217 20 30 CEEDLO CC(C)(CCC#N)C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340395904 263132930 /nfs/dbraw/zinc/13/29/30/263132930.db2.gz XAVUCLBINYXOLR-ZDUSSCGKSA-N 1 2 284.367 2.209 20 30 CEEDLO Cn1c(Cl)cnc1C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000294743819 263166965 /nfs/dbraw/zinc/16/69/65/263166965.db2.gz XBLXOBZICSZWCN-VHSXEESVSA-N 1 2 252.749 2.198 20 30 CEEDLO Cn1c(Cl)cnc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000294743819 263166966 /nfs/dbraw/zinc/16/69/66/263166966.db2.gz XBLXOBZICSZWCN-VHSXEESVSA-N 1 2 252.749 2.198 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCCC#N ZINC000121618162 263296816 /nfs/dbraw/zinc/29/68/16/263296816.db2.gz BSUJRUBASYQEOU-GFCCVEGCSA-N 1 2 252.358 2.486 20 30 CEEDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCCC#N ZINC000121618162 263296818 /nfs/dbraw/zinc/29/68/18/263296818.db2.gz BSUJRUBASYQEOU-GFCCVEGCSA-N 1 2 252.358 2.486 20 30 CEEDLO CC(C)(CCC#N)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000340925664 263312908 /nfs/dbraw/zinc/31/29/08/263312908.db2.gz DQQNHUWFUMRHAX-UHFFFAOYSA-N 1 2 289.383 2.055 20 30 CEEDLO CC(C)(CCC#N)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000340925664 263312909 /nfs/dbraw/zinc/31/29/09/263312909.db2.gz DQQNHUWFUMRHAX-UHFFFAOYSA-N 1 2 289.383 2.055 20 30 CEEDLO CC(C)(CCC#N)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000340945422 263313345 /nfs/dbraw/zinc/31/33/45/263313345.db2.gz YJSYLOJFYYVVLJ-UHFFFAOYSA-N 1 2 273.384 2.462 20 30 CEEDLO CC(C)(CCC#N)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000340945422 263313347 /nfs/dbraw/zinc/31/33/47/263313347.db2.gz YJSYLOJFYYVVLJ-UHFFFAOYSA-N 1 2 273.384 2.462 20 30 CEEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000341993663 263372963 /nfs/dbraw/zinc/37/29/63/263372963.db2.gz PZIZSYJTXKPDHZ-LBPRGKRZSA-N 1 2 263.341 2.296 20 30 CEEDLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)on1 ZINC000330804910 264042961 /nfs/dbraw/zinc/04/29/61/264042961.db2.gz BRDYIYHUMOTHIR-MNOVXSKESA-N 1 2 290.367 2.192 20 30 CEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000330820772 264047030 /nfs/dbraw/zinc/04/70/30/264047030.db2.gz HDOWZTLRHLKZBE-MFKMUULPSA-N 1 2 261.300 2.046 20 30 CEEDLO CN(C)C(=O)[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000330836688 264051028 /nfs/dbraw/zinc/05/10/28/264051028.db2.gz LWMIMRHVPDZDGW-SOUVJXGZSA-N 1 2 271.364 2.098 20 30 CEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330851042 264067912 /nfs/dbraw/zinc/06/79/12/264067912.db2.gz QIBJSUBJPVQHIE-TZMCWYRMSA-N 1 2 255.321 2.349 20 30 CEEDLO CSC[C@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331217470 264165239 /nfs/dbraw/zinc/16/52/39/264165239.db2.gz GEIRPKMOOBVCAY-JTQLQIEISA-N 1 2 282.413 2.255 20 30 CEEDLO CSC[C@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331217470 264165242 /nfs/dbraw/zinc/16/52/42/264165242.db2.gz GEIRPKMOOBVCAY-JTQLQIEISA-N 1 2 282.413 2.255 20 30 CEEDLO CCn1nncc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425365554 264211606 /nfs/dbraw/zinc/21/16/06/264211606.db2.gz LQKBZRMGFGRJNU-GFCCVEGCSA-N 1 2 269.352 2.363 20 30 CEEDLO CCn1nncc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425365554 264211607 /nfs/dbraw/zinc/21/16/07/264211607.db2.gz LQKBZRMGFGRJNU-GFCCVEGCSA-N 1 2 269.352 2.363 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000128537974 264289840 /nfs/dbraw/zinc/28/98/40/264289840.db2.gz XHRMXLSDRJATGW-GFCCVEGCSA-N 1 2 274.368 2.056 20 30 CEEDLO C#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)C ZINC000288127418 264670835 /nfs/dbraw/zinc/67/08/35/264670835.db2.gz IJBLYTJRIUJWGQ-AWEZNQCLSA-N 1 2 282.347 2.045 20 30 CEEDLO C#Cc1ccc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc1 ZINC000290104848 264753160 /nfs/dbraw/zinc/75/31/60/264753160.db2.gz SIFZRRDYPWAUNG-UHFFFAOYSA-N 1 2 298.415 2.150 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356270830 266084672 /nfs/dbraw/zinc/08/46/72/266084672.db2.gz DTVVDTPXILUDQD-CQSZACIVSA-N 1 2 282.347 2.422 20 30 CEEDLO COCc1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000356449425 266116262 /nfs/dbraw/zinc/11/62/62/266116262.db2.gz VQTVNLBAGBAKEB-UHFFFAOYSA-N 1 2 265.382 2.415 20 30 CEEDLO C=C[C@@H](CO)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356852642 266190900 /nfs/dbraw/zinc/19/09/00/266190900.db2.gz XFPKRJSYSFKKBV-ZDUSSCGKSA-N 1 2 284.315 2.151 20 30 CEEDLO C=C[C@@H](CO)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000356879724 266202861 /nfs/dbraw/zinc/20/28/61/266202861.db2.gz YTQWHPQFJJTNJP-LBPRGKRZSA-N 1 2 284.315 2.151 20 30 CEEDLO CCCC[N@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459340079 267006059 /nfs/dbraw/zinc/00/60/59/267006059.db2.gz OSDRERLBJFMSKA-UHFFFAOYSA-N 1 2 277.324 2.061 20 30 CEEDLO CCCC[N@@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459340079 267006060 /nfs/dbraw/zinc/00/60/60/267006060.db2.gz OSDRERLBJFMSKA-UHFFFAOYSA-N 1 2 277.324 2.061 20 30 CEEDLO CCC[C@]1(CO)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425271609 267040852 /nfs/dbraw/zinc/04/08/52/267040852.db2.gz VODIUWMUUYHMNK-HNNXBMFYSA-N 1 2 259.353 2.251 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000459495216 267069076 /nfs/dbraw/zinc/06/90/76/267069076.db2.gz DTWMOXRCNDUFQO-LLVKDONJSA-N 1 2 277.324 2.323 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000459495216 267069079 /nfs/dbraw/zinc/06/90/79/267069079.db2.gz DTWMOXRCNDUFQO-LLVKDONJSA-N 1 2 277.324 2.323 20 30 CEEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)CS(C)(=O)=O ZINC000487919571 267069371 /nfs/dbraw/zinc/06/93/71/267069371.db2.gz TZGGJNFRSSBZGV-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)CS(C)(=O)=O ZINC000487919571 267069374 /nfs/dbraw/zinc/06/93/74/267069374.db2.gz TZGGJNFRSSBZGV-ZDUSSCGKSA-N 1 2 294.420 2.122 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000459510270 267069534 /nfs/dbraw/zinc/06/95/34/267069534.db2.gz ZALWDCWQXNDKHJ-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000459510270 267069537 /nfs/dbraw/zinc/06/95/37/267069537.db2.gz ZALWDCWQXNDKHJ-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)C1COC1 ZINC000451289805 267071583 /nfs/dbraw/zinc/07/15/83/267071583.db2.gz WQUQWQPFGFACRW-UHFFFAOYSA-N 1 2 255.321 2.032 20 30 CEEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)C1COC1 ZINC000451289805 267071586 /nfs/dbraw/zinc/07/15/86/267071586.db2.gz WQUQWQPFGFACRW-UHFFFAOYSA-N 1 2 255.321 2.032 20 30 CEEDLO CC[C@@H](NC(=O)c1ccc(C#N)s1)c1[nH]cc[nH+]1 ZINC000442801635 267193782 /nfs/dbraw/zinc/19/37/82/267193782.db2.gz NKDICNXZWMADIG-SECBINFHSA-N 1 2 260.322 2.224 20 30 CEEDLO Cc1cc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661990 267195045 /nfs/dbraw/zinc/19/50/45/267195045.db2.gz GMBXPCYAOVMNDW-KGLIPLIRSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661990 267195046 /nfs/dbraw/zinc/19/50/46/267195046.db2.gz GMBXPCYAOVMNDW-KGLIPLIRSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n[nH]1 ZINC000368661990 267195047 /nfs/dbraw/zinc/19/50/47/267195047.db2.gz GMBXPCYAOVMNDW-KGLIPLIRSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n[nH]1 ZINC000368661990 267195048 /nfs/dbraw/zinc/19/50/48/267195048.db2.gz GMBXPCYAOVMNDW-KGLIPLIRSA-N 1 2 271.368 2.341 20 30 CEEDLO C=C(Br)C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000369210728 267226546 /nfs/dbraw/zinc/22/65/46/267226546.db2.gz AUYAUTKXXXAWCN-DCAQKATOSA-N 1 2 287.201 2.013 20 30 CEEDLO C=C(Br)C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000369210728 267226547 /nfs/dbraw/zinc/22/65/47/267226547.db2.gz AUYAUTKXXXAWCN-DCAQKATOSA-N 1 2 287.201 2.013 20 30 CEEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccc(C#N)n1 ZINC000428679415 267322069 /nfs/dbraw/zinc/32/20/69/267322069.db2.gz KRRCSQAALAYGCQ-UHFFFAOYSA-N 1 2 267.336 2.122 20 30 CEEDLO Cn1c2ccccc2nc1C[NH2+]CC1(C#N)CCC1 ZINC000418141733 267363497 /nfs/dbraw/zinc/36/34/97/267363497.db2.gz LQHDIRPAOATDKN-UHFFFAOYSA-N 1 2 254.337 2.357 20 30 CEEDLO COC(=O)[C@H]1CC12CCN(c1cc(C)[nH+]cc1C#N)CC2 ZINC000425231824 267384545 /nfs/dbraw/zinc/38/45/45/267384545.db2.gz SYUUETMZTWZCCW-CYBMUJFWSA-N 1 2 285.347 2.041 20 30 CEEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308892 267385920 /nfs/dbraw/zinc/38/59/20/267385920.db2.gz TTXZLWYVVCJZHE-GFCCVEGCSA-N 1 2 297.358 2.262 20 30 CEEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308892 267385922 /nfs/dbraw/zinc/38/59/22/267385922.db2.gz TTXZLWYVVCJZHE-GFCCVEGCSA-N 1 2 297.358 2.262 20 30 CEEDLO CC#CCCCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372008495 267495606 /nfs/dbraw/zinc/49/56/06/267495606.db2.gz FJVKAZZPOQFWHI-HNNXBMFYSA-N 1 2 285.391 2.360 20 30 CEEDLO CC(C)(C)CN(CCC#N)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376857647 268025360 /nfs/dbraw/zinc/02/53/60/268025360.db2.gz RTGMOKWTQMGVPH-GASCZTMLSA-N 1 2 279.428 2.111 20 30 CEEDLO CC(C)(C)CN(CCC#N)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376857647 268025364 /nfs/dbraw/zinc/02/53/64/268025364.db2.gz RTGMOKWTQMGVPH-GASCZTMLSA-N 1 2 279.428 2.111 20 30 CEEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000377134061 268050886 /nfs/dbraw/zinc/05/08/86/268050886.db2.gz YCGACHPQZUUFSN-LBPRGKRZSA-N 1 2 274.368 2.207 20 30 CEEDLO Cc1nonc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528780045 268101773 /nfs/dbraw/zinc/10/17/73/268101773.db2.gz AWPZUVMOYWESDS-UHFFFAOYSA-N 1 2 298.346 2.045 20 30 CEEDLO N#Cc1ccc(C[NH2+]Cc2ccncc2OCC(F)F)o1 ZINC000441376095 268233963 /nfs/dbraw/zinc/23/39/63/268233963.db2.gz JGCIDQDFHFNLKK-UHFFFAOYSA-N 1 2 293.273 2.480 20 30 CEEDLO COc1ccc(OCCNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425204766 271139111 /nfs/dbraw/zinc/13/91/11/271139111.db2.gz VAMJUHUHGLDQBC-UHFFFAOYSA-N 1 2 283.331 2.183 20 30 CEEDLO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000425253601 271147445 /nfs/dbraw/zinc/14/74/45/271147445.db2.gz LIYDXAQNKOYGIK-NWDGAFQWSA-N 1 2 299.296 2.259 20 30 CEEDLO Cc1cc(N2CCN(c3ncccc3F)CC2)c(C#N)c[nH+]1 ZINC000425252381 271147465 /nfs/dbraw/zinc/14/74/65/271147465.db2.gz ZJTDKGFQXQAWBN-UHFFFAOYSA-N 1 2 297.337 2.122 20 30 CEEDLO CCOCCO[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428365148 271259569 /nfs/dbraw/zinc/25/95/69/271259569.db2.gz BBQIVRKPCOFPCE-AWEZNQCLSA-N 1 2 292.354 2.325 20 30 CEEDLO CCOCCO[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428365148 271259572 /nfs/dbraw/zinc/25/95/72/271259572.db2.gz BBQIVRKPCOFPCE-AWEZNQCLSA-N 1 2 292.354 2.325 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C ZINC000246499666 277079356 /nfs/dbraw/zinc/07/93/56/277079356.db2.gz PWHZBFYNPYOHDT-BXUZGUMPSA-N 1 2 258.321 2.257 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1C ZINC000246499666 277079357 /nfs/dbraw/zinc/07/93/57/277079357.db2.gz PWHZBFYNPYOHDT-BXUZGUMPSA-N 1 2 258.321 2.257 20 30 CEEDLO O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329317369 295379802 /nfs/dbraw/zinc/37/98/02/295379802.db2.gz FGWHJERUXQEEEN-IACUBPJLSA-N 1 2 277.368 2.096 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000329628260 295384578 /nfs/dbraw/zinc/38/45/78/295384578.db2.gz UOKCMBNKTOWGLW-FRRDWIJNSA-N 1 2 288.395 2.303 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000329628260 295384580 /nfs/dbraw/zinc/38/45/80/295384580.db2.gz UOKCMBNKTOWGLW-FRRDWIJNSA-N 1 2 288.395 2.303 20 30 CEEDLO N#Cc1cnccc1NCCCCNc1cccc[nH+]1 ZINC000546653715 298355489 /nfs/dbraw/zinc/35/54/89/298355489.db2.gz KEUBSAKMBWCLDO-UHFFFAOYSA-N 1 2 267.336 2.074 20 30 CEEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)[nH]1 ZINC000159876909 312634694 /nfs/dbraw/zinc/63/46/94/312634694.db2.gz DSPVHSYNCWLIPD-UHFFFAOYSA-N 1 2 295.277 2.463 20 30 CEEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccco1 ZINC000571533571 314095078 /nfs/dbraw/zinc/09/50/78/314095078.db2.gz VYEUVYJRJZZFHC-CYBMUJFWSA-N 1 2 257.293 2.024 20 30 CEEDLO N#Cc1csc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000575101486 314204101 /nfs/dbraw/zinc/20/41/01/314204101.db2.gz NZVWSLNGVFMUBR-NSHDSACASA-N 1 2 273.365 2.465 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000339760536 328055524 /nfs/dbraw/zinc/05/55/24/328055524.db2.gz VWHAJZOKPQFSSE-KGLIPLIRSA-N 1 2 270.376 2.308 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000339760536 328055526 /nfs/dbraw/zinc/05/55/26/328055526.db2.gz VWHAJZOKPQFSSE-KGLIPLIRSA-N 1 2 270.376 2.308 20 30 CEEDLO C=CCOc1ccccc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571223520 328093088 /nfs/dbraw/zinc/09/30/88/328093088.db2.gz XOELKLIAHBZCLV-CYBMUJFWSA-N 1 2 299.374 2.470 20 30 CEEDLO C=CCOc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571223520 328093090 /nfs/dbraw/zinc/09/30/90/328093090.db2.gz XOELKLIAHBZCLV-CYBMUJFWSA-N 1 2 299.374 2.470 20 30 CEEDLO C=CCCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413164328 328141628 /nfs/dbraw/zinc/14/16/28/328141628.db2.gz YZQZUQITFYBEIU-KGLIPLIRSA-N 1 2 290.411 2.086 20 30 CEEDLO C=CCCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413164328 328141630 /nfs/dbraw/zinc/14/16/30/328141630.db2.gz YZQZUQITFYBEIU-KGLIPLIRSA-N 1 2 290.411 2.086 20 30 CEEDLO CC(C)C[C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582549939 329105875 /nfs/dbraw/zinc/10/58/75/329105875.db2.gz KVWFGQCIHNKJBO-OCCSQVGLSA-N 1 2 253.390 2.019 20 30 CEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCCC#N ZINC000267820972 328180552 /nfs/dbraw/zinc/18/05/52/328180552.db2.gz OUJUKMUCPVLDCV-HNNXBMFYSA-N 1 2 272.348 2.453 20 30 CEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCCC#N ZINC000267820972 328180553 /nfs/dbraw/zinc/18/05/53/328180553.db2.gz OUJUKMUCPVLDCV-HNNXBMFYSA-N 1 2 272.348 2.453 20 30 CEEDLO COCCC1(C/[NH+]=C/c2c(CO)cnc(C)c2O)CCC1 ZINC000268384595 328184659 /nfs/dbraw/zinc/18/46/59/328184659.db2.gz CQWQXCDTBJCSMW-RQZCQDPDSA-N 1 2 292.379 2.214 20 30 CEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271837834 328197894 /nfs/dbraw/zinc/19/78/94/328197894.db2.gz YAVNYEWVGBIQRG-LLVKDONJSA-N 1 2 295.333 2.378 20 30 CEEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(C)(C#N)CC1 ZINC000272651228 328200296 /nfs/dbraw/zinc/20/02/96/328200296.db2.gz ZKHAQIZYRZKOFW-LBPRGKRZSA-N 1 2 291.420 2.378 20 30 CEEDLO CC(C)(C#N)CCO[NH+]=C(N)COc1ccccc1F ZINC000281873729 328241379 /nfs/dbraw/zinc/24/13/79/328241379.db2.gz LAYZTDBXYSXNEI-UHFFFAOYSA-N 1 2 279.315 2.433 20 30 CEEDLO C[N@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CC[C@@H](C#N)C1 ZINC000293336391 328275424 /nfs/dbraw/zinc/27/54/24/328275424.db2.gz CZJXZNOIWNZVEP-CJNGLKHVSA-N 1 2 281.363 2.391 20 30 CEEDLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@H]1CC[C@@H](C#N)C1 ZINC000293336391 328275426 /nfs/dbraw/zinc/27/54/26/328275426.db2.gz CZJXZNOIWNZVEP-CJNGLKHVSA-N 1 2 281.363 2.391 20 30 CEEDLO C=CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255210502 326957750 /nfs/dbraw/zinc/95/77/50/326957750.db2.gz SYZPEKHFRJJLOZ-YVMONPNESA-N 1 2 253.305 2.188 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1(C#N)CC1)C2 ZINC000569421133 327175357 /nfs/dbraw/zinc/17/53/57/327175357.db2.gz VMWIHXNEAPOSNF-LLVKDONJSA-N 1 2 286.379 2.058 20 30 CEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1(C#N)CC1)CC2 ZINC000569421133 327175358 /nfs/dbraw/zinc/17/53/58/327175358.db2.gz VMWIHXNEAPOSNF-LLVKDONJSA-N 1 2 286.379 2.058 20 30 CEEDLO C=CC[N@H+](CCC#N)CCc1ccc2c(c1)OCCO2 ZINC000428857301 327387588 /nfs/dbraw/zinc/38/75/88/327387588.db2.gz QXCWMHIEDVQXEV-UHFFFAOYSA-N 1 2 272.348 2.402 20 30 CEEDLO C=CC[N@@H+](CCC#N)CCc1ccc2c(c1)OCCO2 ZINC000428857301 327387589 /nfs/dbraw/zinc/38/75/89/327387589.db2.gz QXCWMHIEDVQXEV-UHFFFAOYSA-N 1 2 272.348 2.402 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OCC ZINC000172168119 329081663 /nfs/dbraw/zinc/08/16/63/329081663.db2.gz DPSUXOQSAURGTF-ZDUSSCGKSA-N 1 2 276.380 2.208 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OCC ZINC000172168119 329081665 /nfs/dbraw/zinc/08/16/65/329081665.db2.gz DPSUXOQSAURGTF-ZDUSSCGKSA-N 1 2 276.380 2.208 20 30 CEEDLO CC1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000582522774 329106606 /nfs/dbraw/zinc/10/66/06/329106606.db2.gz MOZXRRLQBUBEOQ-INIZCTEOSA-N 1 2 269.392 2.496 20 30 CEEDLO CC1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000582522774 329106608 /nfs/dbraw/zinc/10/66/08/329106608.db2.gz MOZXRRLQBUBEOQ-INIZCTEOSA-N 1 2 269.392 2.496 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176130861 329174102 /nfs/dbraw/zinc/17/41/02/329174102.db2.gz HIDVJBYFVDGELY-WFASDCNBSA-N 1 2 289.354 2.208 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176130861 329174103 /nfs/dbraw/zinc/17/41/03/329174103.db2.gz HIDVJBYFVDGELY-WFASDCNBSA-N 1 2 289.354 2.208 20 30 CEEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000185925159 329332932 /nfs/dbraw/zinc/33/29/32/329332932.db2.gz ILBYTHVUHNMFPW-MRXNPFEDSA-N 1 2 290.794 2.421 20 30 CEEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000185925159 329332933 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Cc1[nH+]c(C(C)N=Nc2cccc([N+](=O)[O-])c2)cn1C ZINC000800805303 631145443 /nfs/dbraw/zinc/14/54/43/631145443.db2.gz NDOZWDXUIGSBSL-UHFFFAOYSA-N 1 2 273.296 2.473 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)N2CCC(CC#N)CC2)c[nH+]1 ZINC000897353762 631167365 /nfs/dbraw/zinc/16/73/65/631167365.db2.gz OJWGOAREWDSRSC-UHFFFAOYSA-N 1 2 274.368 2.079 20 30 CEEDLO C[C@H](C#N)OCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000801934547 631360876 /nfs/dbraw/zinc/36/08/76/631360876.db2.gz OWKBKACLADCDLK-CYBMUJFWSA-N 1 2 284.363 2.437 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000801934547 631360880 /nfs/dbraw/zinc/36/08/80/631360880.db2.gz OWKBKACLADCDLK-CYBMUJFWSA-N 1 2 284.363 2.437 20 30 CEEDLO N#Cc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1Cl ZINC000802237508 631409568 /nfs/dbraw/zinc/40/95/68/631409568.db2.gz HQAZSGIPOFYVFO-GFCCVEGCSA-N 1 2 296.729 2.412 20 30 CEEDLO N#Cc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1Cl ZINC000802237508 631409571 /nfs/dbraw/zinc/40/95/71/631409571.db2.gz HQAZSGIPOFYVFO-GFCCVEGCSA-N 1 2 296.729 2.412 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000802658843 631441589 /nfs/dbraw/zinc/44/15/89/631441589.db2.gz RTBOMMIGBUENIX-ZDUSSCGKSA-N 1 2 272.348 2.342 20 30 CEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000802658843 631441596 /nfs/dbraw/zinc/44/15/96/631441596.db2.gz RTBOMMIGBUENIX-ZDUSSCGKSA-N 1 2 272.348 2.342 20 30 CEEDLO CC(C)n1cc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000897632123 631839126 /nfs/dbraw/zinc/83/91/26/631839126.db2.gz HJMXQPNYHDVUCY-UHFFFAOYSA-N 1 2 261.354 2.082 20 30 CEEDLO C[C@H](NCC1(C#N)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000809659354 632123255 /nfs/dbraw/zinc/12/32/55/632123255.db2.gz MZKGNQHAZRJRMS-DOTOQJQBSA-N 1 2 299.418 2.169 20 30 CEEDLO C[C@H](NCC1(C#N)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000809659354 632123260 /nfs/dbraw/zinc/12/32/60/632123260.db2.gz MZKGNQHAZRJRMS-DOTOQJQBSA-N 1 2 299.418 2.169 20 30 CEEDLO Cc1cn(C(C)(C)C(=O)NCC2(C#N)CCCC2)c[nH+]1 ZINC000898269437 632139117 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C[C@@H]([NH2+]C1CC(CCO)C1)c1cccc(C#N)c1O ZINC000903333979 635065568 /nfs/dbraw/zinc/06/55/68/635065568.db2.gz VHDUMAMTNYIATG-XSRFYTQQSA-N 1 2 260.337 2.075 20 30 CEEDLO C#C[C@H]([NH2+]Cc1ccnc(Cl)c1F)[C@H]1CCCO1 ZINC000824196573 635374940 /nfs/dbraw/zinc/37/49/40/635374940.db2.gz ULSMCQNKAXMKQV-WDEREUQCSA-N 1 2 268.719 2.145 20 30 CEEDLO CCCCN(O)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000904214783 635523220 /nfs/dbraw/zinc/52/32/20/635523220.db2.gz MYADWQDEFUEZCC-LBPRGKRZSA-N 1 2 253.346 2.488 20 30 CEEDLO C#CCCCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269440 635539830 /nfs/dbraw/zinc/53/98/30/635539830.db2.gz GHCNBHQOXAZOAD-UHFFFAOYSA-N 1 2 256.309 2.368 20 30 CEEDLO C=CCC[C@H]([NH2+]C[C@H]1CCC=CO1)C(=O)OCC ZINC000825118762 635572062 /nfs/dbraw/zinc/57/20/62/635572062.db2.gz WZUSLUOJQHPKIJ-OLZOCXBDSA-N 1 2 253.342 2.167 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000826534035 635777697 /nfs/dbraw/zinc/77/76/97/635777697.db2.gz BXYNTKKGHBODRA-SNVBAGLBSA-N 1 2 271.286 2.284 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000826534035 635777704 /nfs/dbraw/zinc/77/77/04/635777704.db2.gz BXYNTKKGHBODRA-SNVBAGLBSA-N 1 2 271.286 2.284 20 30 CEEDLO C#CCC(C)(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826704468 635821291 /nfs/dbraw/zinc/82/12/91/635821291.db2.gz TZFOTRUZPODRPF-OAHLLOKOSA-N 1 2 270.376 2.339 20 30 CEEDLO C#CCC(C)(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826704468 635821298 /nfs/dbraw/zinc/82/12/98/635821298.db2.gz TZFOTRUZPODRPF-OAHLLOKOSA-N 1 2 270.376 2.339 20 30 CEEDLO N#C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000826937078 636167228 /nfs/dbraw/zinc/16/72/28/636167228.db2.gz IJTWUAOGNJFLCO-HUUCEWRRSA-N 1 2 294.358 2.350 20 30 CEEDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)o1 ZINC000827038975 636195058 /nfs/dbraw/zinc/19/50/58/636195058.db2.gz CPIYCLROMPHTKM-UHFFFAOYSA-N 1 2 299.378 2.360 20 30 CEEDLO Cc1nnc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)o1 ZINC000827038975 636195061 /nfs/dbraw/zinc/19/50/61/636195061.db2.gz 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CEEDLO N#CCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157984809 639557522 /nfs/dbraw/zinc/55/75/22/639557522.db2.gz WJCMSCRNTIVGFT-CVEARBPZSA-N 1 2 274.364 2.115 20 30 CEEDLO N#CCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157984809 639557526 /nfs/dbraw/zinc/55/75/26/639557526.db2.gz WJCMSCRNTIVGFT-CVEARBPZSA-N 1 2 274.364 2.115 20 30 CEEDLO N#CC1CC[NH+](Cn2nccc2-c2cccnc2)CC1 ZINC000170638136 639666480 /nfs/dbraw/zinc/66/64/80/639666480.db2.gz OULNEDWRLFKARB-UHFFFAOYSA-N 1 2 267.336 2.138 20 30 CEEDLO CCOC(=O)C(C)(C)[NH2+]CCCOc1ccc(C#N)cc1 ZINC000172825917 639803736 /nfs/dbraw/zinc/80/37/36/639803736.db2.gz HHWAJGPPTHTRAS-UHFFFAOYSA-N 1 2 290.363 2.258 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCC2(C#N)CCC2)cc1OC ZINC000842020931 639920793 /nfs/dbraw/zinc/92/07/93/639920793.db2.gz IHZRTEYCPOFSIA-UHFFFAOYSA-N 1 2 289.335 2.244 20 30 CEEDLO C#Cc1ccc(NC(=O)CC[N@@H+](C)Cc2ccon2)cc1 ZINC000929694444 640021604 /nfs/dbraw/zinc/02/16/04/640021604.db2.gz AXBRILKNPZTOTA-UHFFFAOYSA-N 1 2 283.331 2.117 20 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297.347 2.023 20 30 CEEDLO CCCCCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000915626822 640596007 /nfs/dbraw/zinc/59/60/07/640596007.db2.gz WHBDSXBUJMYDCX-AWEZNQCLSA-N 1 2 270.417 2.184 20 30 CEEDLO C#CCOc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000155126268 641093281 /nfs/dbraw/zinc/09/32/81/641093281.db2.gz XYWJYOLRSMAMLA-UHFFFAOYSA-N 1 2 297.358 2.057 20 30 CEEDLO C=CC[N@H+](CC(=O)[O-])Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000846262817 641245965 /nfs/dbraw/zinc/24/59/65/641245965.db2.gz MBVRGZAEFULWPK-UHFFFAOYSA-N 1 2 285.347 2.253 20 30 CEEDLO C=CC[N@@H+](CC(=O)[O-])Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000846262817 641245974 /nfs/dbraw/zinc/24/59/74/641245974.db2.gz MBVRGZAEFULWPK-UHFFFAOYSA-N 1 2 285.347 2.253 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2cccs2)nn1 ZINC000846852154 641454492 /nfs/dbraw/zinc/45/44/92/641454492.db2.gz GFACMGPBIJMOKM-ZDUSSCGKSA-N 1 2 292.408 2.129 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000180551038 641466881 /nfs/dbraw/zinc/46/68/81/641466881.db2.gz GCOCTSXKUXFRAC-SFHVURJKSA-N 1 2 298.386 2.095 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000180551038 641466887 /nfs/dbraw/zinc/46/68/87/641466887.db2.gz GCOCTSXKUXFRAC-SFHVURJKSA-N 1 2 298.386 2.095 20 30 CEEDLO CON=CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000847002066 641516478 /nfs/dbraw/zinc/51/64/78/641516478.db2.gz PVWYKTUPUHGELO-UHFFFAOYSA-N 1 2 298.346 2.457 20 30 CEEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847743989 641758908 /nfs/dbraw/zinc/75/89/08/641758908.db2.gz MPBLFJFLHIDCTC-JTQLQIEISA-N 1 2 287.285 2.003 20 30 CEEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847743989 641758912 /nfs/dbraw/zinc/75/89/12/641758912.db2.gz MPBLFJFLHIDCTC-JTQLQIEISA-N 1 2 287.285 2.003 20 30 CEEDLO C=CCCn1cc(CO[NH+]=C(N)Cc2cccs2)nn1 ZINC000848509807 642019585 /nfs/dbraw/zinc/01/95/85/642019585.db2.gz YRVNQWXLBKMADE-UHFFFAOYSA-N 1 2 291.380 2.157 20 30 CEEDLO C=C(C)C[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000996617439 642120106 /nfs/dbraw/zinc/12/01/06/642120106.db2.gz AWEDWNLXRQWXOG-SNVBAGLBSA-N 1 2 282.281 2.044 20 30 CEEDLO C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000996617439 642120116 /nfs/dbraw/zinc/12/01/16/642120116.db2.gz AWEDWNLXRQWXOG-SNVBAGLBSA-N 1 2 282.281 2.044 20 30 CEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000848924492 642197041 /nfs/dbraw/zinc/19/70/41/642197041.db2.gz UAVUHUWOULUILB-LLVKDONJSA-N 1 2 251.761 2.227 20 30 CEEDLO C#C[C@@H]1CCC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000848924492 642197042 /nfs/dbraw/zinc/19/70/42/642197042.db2.gz UAVUHUWOULUILB-LLVKDONJSA-N 1 2 251.761 2.227 20 30 CEEDLO N#Cc1ccc(F)c(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000888364914 642297808 /nfs/dbraw/zinc/29/78/08/642297808.db2.gz SJOFEZUWIBIUDH-LLVKDONJSA-N 1 2 299.309 2.030 20 30 CEEDLO C[C@@]1(c2ccccc2)CCN(C[NH+]2CCC(C#N)CC2)C1=O ZINC000188654135 642313998 /nfs/dbraw/zinc/31/39/98/642313998.db2.gz RAQZWMCIQPZEJQ-SFHVURJKSA-N 1 2 297.402 2.370 20 30 CEEDLO C#C[C@H](C)[NH2+]Cc1nccc(C)c1Br ZINC000877514206 650759480 /nfs/dbraw/zinc/75/94/80/650759480.db2.gz JXHIGHZBAVAPNO-VIFPVBQESA-N 1 2 253.143 2.264 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCO2)CC1 ZINC001000567989 642628426 /nfs/dbraw/zinc/62/84/26/642628426.db2.gz IBOHMQLDZCRLNK-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCO2)CC1 ZINC001000567989 642628431 /nfs/dbraw/zinc/62/84/31/642628431.db2.gz IBOHMQLDZCRLNK-AWEZNQCLSA-N 1 2 298.814 2.056 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)nn1 ZINC000850376162 642688143 /nfs/dbraw/zinc/68/81/43/642688143.db2.gz WTZQCRYDAZFPOP-HZPDHXFCSA-N 1 2 284.363 2.122 20 30 CEEDLO C=CCCCCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922024995 642847457 /nfs/dbraw/zinc/84/74/57/642847457.db2.gz IJVQHLSJVVILEP-UHFFFAOYSA-N 1 2 296.440 2.360 20 30 CEEDLO C#CCOCC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000851869643 643201052 /nfs/dbraw/zinc/20/10/52/643201052.db2.gz NIIUJABIKKKJLI-UHFFFAOYSA-N 1 2 281.396 2.270 20 30 CEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc([C@@H](C)OCC)no1 ZINC000852102828 643307580 /nfs/dbraw/zinc/30/75/80/643307580.db2.gz QUEBKAPDEZCZRT-MFKMUULPSA-N 1 2 251.330 2.059 20 30 CEEDLO C#CC[N@@H+](CCC[C@@H]1CCOC1)CC(=O)OC(C)(C)C ZINC000852425100 643421705 /nfs/dbraw/zinc/42/17/05/643421705.db2.gz MIIKMXYTYQBLNU-CQSZACIVSA-N 1 2 281.396 2.080 20 30 CEEDLO C#CC[N@H+](CCC[C@@H]1CCOC1)CC(=O)OC(C)(C)C ZINC000852425100 643421710 /nfs/dbraw/zinc/42/17/10/643421710.db2.gz MIIKMXYTYQBLNU-CQSZACIVSA-N 1 2 281.396 2.080 20 30 CEEDLO COC(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000852569197 643477325 /nfs/dbraw/zinc/47/73/25/643477325.db2.gz HYXLQPKRULGQAC-UHFFFAOYSA-N 1 2 295.770 2.342 20 30 CEEDLO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000852569197 643477329 /nfs/dbraw/zinc/47/73/29/643477329.db2.gz HYXLQPKRULGQAC-UHFFFAOYSA-N 1 2 295.770 2.342 20 30 CEEDLO N#Cc1csc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)n1 ZINC000922990299 643499697 /nfs/dbraw/zinc/49/96/97/643499697.db2.gz JBNWFNWYTYVYJP-HIFRSBDPSA-N 1 2 285.372 2.153 20 30 CEEDLO C=CCCCCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923117178 643565277 /nfs/dbraw/zinc/56/52/77/643565277.db2.gz PEHMSIKSYNQGOH-HNNXBMFYSA-N 1 2 297.443 2.143 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](CC)CCO ZINC000853366968 643756428 /nfs/dbraw/zinc/75/64/28/643756428.db2.gz GEZOIRGYGSZGLK-ZDUSSCGKSA-N 1 2 262.353 2.447 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCc1ccon1 ZINC000853401165 643764111 /nfs/dbraw/zinc/76/41/11/643764111.db2.gz JMBHKMMWAHNKEN-UHFFFAOYSA-N 1 2 257.293 2.474 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC000923570867 643768897 /nfs/dbraw/zinc/76/88/97/643768897.db2.gz NMAQZTBIIRTQMV-GFCCVEGCSA-N 1 2 291.420 2.094 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC000923570867 643768900 /nfs/dbraw/zinc/76/89/00/643768900.db2.gz NMAQZTBIIRTQMV-GFCCVEGCSA-N 1 2 291.420 2.094 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC000923577850 643771389 /nfs/dbraw/zinc/77/13/89/643771389.db2.gz ZEKOOYFWGVLXIM-LLVKDONJSA-N 1 2 288.372 2.322 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC000923577850 643771392 /nfs/dbraw/zinc/77/13/92/643771392.db2.gz ZEKOOYFWGVLXIM-LLVKDONJSA-N 1 2 288.372 2.322 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC000923590894 643773529 /nfs/dbraw/zinc/77/35/29/643773529.db2.gz HKIUDHFDOSTORT-LBPRGKRZSA-N 1 2 276.405 2.138 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC000923590894 643773536 /nfs/dbraw/zinc/77/35/36/643773536.db2.gz HKIUDHFDOSTORT-LBPRGKRZSA-N 1 2 276.405 2.138 20 30 CEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC000923592207 643775135 /nfs/dbraw/zinc/77/51/35/643775135.db2.gz RGZXBAWCFYXFRV-ZDUSSCGKSA-N 1 2 288.416 2.064 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC000923592207 643775138 /nfs/dbraw/zinc/77/51/38/643775138.db2.gz RGZXBAWCFYXFRV-ZDUSSCGKSA-N 1 2 288.416 2.064 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NCCC[C@H](C)O ZINC000853552152 643811197 /nfs/dbraw/zinc/81/11/97/643811197.db2.gz XAHMBQITRJVOTB-ZDUSSCGKSA-N 1 2 262.353 2.447 20 30 CEEDLO NC(=[NH+]OCCO[C@H]1CC1(F)F)c1ccc(Cl)cc1 ZINC000853646682 643845045 /nfs/dbraw/zinc/84/50/45/643845045.db2.gz WLKOLAYEFBUOIZ-JTQLQIEISA-N 1 2 290.697 2.401 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](C(C)C)C1)C(=O)OC ZINC000839168748 644177327 /nfs/dbraw/zinc/17/73/27/644177327.db2.gz NWBDQCIEBIJTPR-MJBXVCDLSA-N 1 2 251.370 2.356 20 30 CEEDLO C#CC[C@@H]([NH2+][C@@H](CC)Cc1ccc(C)cc1)C(=O)OC ZINC000839169414 644178088 /nfs/dbraw/zinc/17/80/88/644178088.db2.gz RCDOKPBSLSEHTH-JKSUJKDBSA-N 1 2 273.376 2.471 20 30 CEEDLO C#CC[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000839170044 644179483 /nfs/dbraw/zinc/17/94/83/644179483.db2.gz WXNWGNYJIIWICQ-QWHCGFSZSA-N 1 2 251.370 2.357 20 30 CEEDLO C=C[C@H](C)ONC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855026680 644234402 /nfs/dbraw/zinc/23/44/02/644234402.db2.gz MNFYXKYOFHEEMQ-HOCLYGCPSA-N 1 2 288.391 2.488 20 30 CEEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000877774901 650906059 /nfs/dbraw/zinc/90/60/59/650906059.db2.gz QHPWRZUYODCGGN-UHFFFAOYSA-N 1 2 289.379 2.232 20 30 CEEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000877774901 650906060 /nfs/dbraw/zinc/90/60/60/650906060.db2.gz QHPWRZUYODCGGN-UHFFFAOYSA-N 1 2 289.379 2.232 20 30 CEEDLO CC(C)C1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753955106 644303284 /nfs/dbraw/zinc/30/32/84/644303284.db2.gz KSDLEZBUKDPMTH-SECBINFHSA-N 1 2 279.413 2.151 20 30 CEEDLO CC(C)C1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753955106 644303290 /nfs/dbraw/zinc/30/32/90/644303290.db2.gz KSDLEZBUKDPMTH-SECBINFHSA-N 1 2 279.413 2.151 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc2cc(C)ccc2o1 ZINC000855768468 644470848 /nfs/dbraw/zinc/47/08/48/644470848.db2.gz GOQHXQZHVJQWFT-INIZCTEOSA-N 1 2 296.370 2.455 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc2cc(C)ccc2o1 ZINC000855768468 644470852 /nfs/dbraw/zinc/47/08/52/644470852.db2.gz GOQHXQZHVJQWFT-INIZCTEOSA-N 1 2 296.370 2.455 20 30 CEEDLO Cc1[nH+]cc(CN=Nc2cnccn2)n1-c1ccccc1 ZINC000755634739 644538412 /nfs/dbraw/zinc/53/84/12/644538412.db2.gz QTEFIUNEQCSLCX-UHFFFAOYSA-N 1 2 278.319 2.417 20 30 CEEDLO CN(C)c1cc(COC(=O)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000755894843 644577604 /nfs/dbraw/zinc/57/76/04/644577604.db2.gz NGRNFGYGLVMKBC-UHFFFAOYSA-N 1 2 295.342 2.305 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901624 650942075 /nfs/dbraw/zinc/94/20/75/650942075.db2.gz QAUCRQKCEBAICG-VHSXEESVSA-N 1 2 265.275 2.378 20 30 CEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901624 650942076 /nfs/dbraw/zinc/94/20/76/650942076.db2.gz QAUCRQKCEBAICG-VHSXEESVSA-N 1 2 265.275 2.378 20 30 CEEDLO C[N@H+](CCCOc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758207560 644900046 /nfs/dbraw/zinc/90/00/46/644900046.db2.gz UBZIQYYEZOOQCA-UHFFFAOYSA-N 1 2 297.358 2.078 20 30 CEEDLO C[N@@H+](CCCOc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758207560 644900048 /nfs/dbraw/zinc/90/00/48/644900048.db2.gz UBZIQYYEZOOQCA-UHFFFAOYSA-N 1 2 297.358 2.078 20 30 CEEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1C ZINC000858114183 645066122 /nfs/dbraw/zinc/06/61/22/645066122.db2.gz ZNDGBONZTHNBDX-UHFFFAOYSA-N 1 2 252.362 2.190 20 30 CEEDLO CCCCCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000858114395 645066470 /nfs/dbraw/zinc/06/64/70/645066470.db2.gz HZFFFBFKLBWVNI-OAHLLOKOSA-N 1 2 297.443 2.073 20 30 CEEDLO C#C[C@H](C)N(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000858517302 645189074 /nfs/dbraw/zinc/18/90/74/645189074.db2.gz QYOUDXGLXLDLJY-ZDUSSCGKSA-N 1 2 278.359 2.455 20 30 CEEDLO C#CCC[C@H](O)CNc1nc2ccccc2n2c[nH+]cc12 ZINC000858529202 645192670 /nfs/dbraw/zinc/19/26/70/645192670.db2.gz WUGZTSMWPMDXHR-LBPRGKRZSA-N 1 2 280.331 2.069 20 30 CEEDLO C=CCCC(=O)COC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000761407052 645279695 /nfs/dbraw/zinc/27/96/95/645279695.db2.gz XIZRGXYBHWIFNA-ZDUSSCGKSA-N 1 2 267.369 2.329 20 30 CEEDLO Cc1cccc2c1C[N@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000762086982 645362852 /nfs/dbraw/zinc/36/28/52/645362852.db2.gz LGXJCAGNKBVTQI-UHFFFAOYSA-N 1 2 279.343 2.044 20 30 CEEDLO Cc1cccc2c1C[N@@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000762086982 645362856 /nfs/dbraw/zinc/36/28/56/645362856.db2.gz LGXJCAGNKBVTQI-UHFFFAOYSA-N 1 2 279.343 2.044 20 30 CEEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859442715 645484603 /nfs/dbraw/zinc/48/46/03/645484603.db2.gz QJSAHBVJYOKURN-LBPRGKRZSA-N 1 2 288.395 2.061 20 30 CEEDLO C[C@@H](C#N)OCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859442715 645484605 /nfs/dbraw/zinc/48/46/05/645484605.db2.gz QJSAHBVJYOKURN-LBPRGKRZSA-N 1 2 288.395 2.061 20 30 CEEDLO C#CCN(C(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CC1 ZINC000764704256 645677093 /nfs/dbraw/zinc/67/70/93/645677093.db2.gz WELYCRBMBTUBOL-UHFFFAOYSA-N 1 2 287.363 2.014 20 30 CEEDLO C#CCC(C)(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000767089797 645953196 /nfs/dbraw/zinc/95/31/96/645953196.db2.gz BJDFUEQQHDLLDP-UHFFFAOYSA-N 1 2 283.375 2.351 20 30 CEEDLO C#CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000769056168 646198428 /nfs/dbraw/zinc/19/84/28/646198428.db2.gz YYRZKDNORNAAJV-UHFFFAOYSA-N 1 2 265.316 2.458 20 30 CEEDLO Fc1ccc(N=NCc2cccc3[nH+]ccn32)nc1 ZINC000771100468 646490665 /nfs/dbraw/zinc/49/06/65/646490665.db2.gz MDYJGKBLIBTYDN-UHFFFAOYSA-N 1 2 255.256 2.314 20 30 CEEDLO CC(=NNC[C@H](C)C#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000771097175 646490968 /nfs/dbraw/zinc/49/09/68/646490968.db2.gz GCBJHXHQQNJDHU-GFCCVEGCSA-N 1 2 267.336 2.346 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000771756366 646548234 /nfs/dbraw/zinc/54/82/34/646548234.db2.gz LKIHWYZDANHDBA-NSHDSACASA-N 1 2 275.356 2.270 20 30 CEEDLO COc1ccc(C#N)cc1COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000772275010 646613943 /nfs/dbraw/zinc/61/39/43/646613943.db2.gz GYKKJFWSKWLSQM-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO COc1ccc(C#N)cc1COC(=O)[C@H]1CCCC[N@H+]1C ZINC000772275010 646613946 /nfs/dbraw/zinc/61/39/46/646613946.db2.gz GYKKJFWSKWLSQM-CQSZACIVSA-N 1 2 288.347 2.094 20 30 CEEDLO CC(=[NH+]n1cccn1)[C@H](C)NC(=O)OC(C)(C)C ZINC000863163525 646660759 /nfs/dbraw/zinc/66/07/59/646660759.db2.gz HHISZFZVTQDPBC-VIFPVBQESA-N 1 2 252.318 2.020 20 30 CEEDLO C#CCCCCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000773401338 646734852 /nfs/dbraw/zinc/73/48/52/646734852.db2.gz MQLYQUFBLFRHGW-UHFFFAOYSA-N 1 2 286.366 2.368 20 30 CEEDLO C#CCCCCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000773401338 646734858 /nfs/dbraw/zinc/73/48/58/646734858.db2.gz MQLYQUFBLFRHGW-UHFFFAOYSA-N 1 2 286.366 2.368 20 30 CEEDLO Cc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)ccc1C#N ZINC000775091125 646923527 /nfs/dbraw/zinc/92/35/27/646923527.db2.gz VAQVFEAFTUJRKW-INIZCTEOSA-N 1 2 270.332 2.148 20 30 CEEDLO Cc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)ccc1C#N ZINC000775091125 646923529 /nfs/dbraw/zinc/92/35/29/646923529.db2.gz VAQVFEAFTUJRKW-INIZCTEOSA-N 1 2 270.332 2.148 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1csc(C2CC2)n1)[C@@H]1CCCO1 ZINC000775343778 646943731 /nfs/dbraw/zinc/94/37/31/646943731.db2.gz XYQNEUXIUMFOCC-OLZOCXBDSA-N 1 2 262.378 2.291 20 30 CEEDLO C#CC[C@@H]([NH2+]Cc1nnnn1CCCC)c1ccccc1 ZINC000775398822 646950196 /nfs/dbraw/zinc/95/01/96/646950196.db2.gz BUKPHDFYNBMVMC-OAHLLOKOSA-N 1 2 283.379 2.327 20 30 CEEDLO C#C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)[C@@H]1CCCO1 ZINC000775797517 646994454 /nfs/dbraw/zinc/99/44/54/646994454.db2.gz DQISCDYTWSFTAA-KBPBESRZSA-N 1 2 291.420 2.012 20 30 CEEDLO C#C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCCO1 ZINC000775796077 646994799 /nfs/dbraw/zinc/99/47/99/646994799.db2.gz SBPQIHMVXZSBMH-CORIIIEPSA-N 1 2 297.358 2.167 20 30 CEEDLO Cc1cc(C)c2c(c1)C[N@@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000776776181 647089636 /nfs/dbraw/zinc/08/96/36/647089636.db2.gz XYOVFEAESNEEBO-UHFFFAOYSA-N 1 2 293.370 2.353 20 30 CEEDLO Cc1cc(C)c2c(c1)C[N@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000776776181 647089639 /nfs/dbraw/zinc/08/96/39/647089639.db2.gz XYOVFEAESNEEBO-UHFFFAOYSA-N 1 2 293.370 2.353 20 30 CEEDLO C#Cc1cccc(C[NH2+]Cc2ncnn2C(C)C)c1 ZINC000865593730 647376289 /nfs/dbraw/zinc/37/62/89/647376289.db2.gz PGORENBXUBONDM-UHFFFAOYSA-N 1 2 254.337 2.130 20 30 CEEDLO C[NH+](C)[C@@H](C(=O)OCc1ccnc(C#N)c1)c1ccccc1 ZINC000780095011 647387428 /nfs/dbraw/zinc/38/74/28/647387428.db2.gz VDADVWNNNZULIQ-MRXNPFEDSA-N 1 2 295.342 2.299 20 30 CEEDLO N#Cc1cc(C(F)(F)F)cc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000865817874 647477086 /nfs/dbraw/zinc/47/70/86/647477086.db2.gz OZJZAYABIBDJEP-UHFFFAOYSA-N 1 2 293.252 2.258 20 30 CEEDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000781928828 647572511 /nfs/dbraw/zinc/57/25/11/647572511.db2.gz FWAXPAKANXNZNB-ZDUSSCGKSA-N 1 2 299.378 2.128 20 30 CEEDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000781928828 647572514 /nfs/dbraw/zinc/57/25/14/647572514.db2.gz FWAXPAKANXNZNB-ZDUSSCGKSA-N 1 2 299.378 2.128 20 30 CEEDLO CC1(CO[NH+]=C(N)c2ccc(Br)cc2)COC1 ZINC000782948631 647664067 /nfs/dbraw/zinc/66/40/67/647664067.db2.gz NBGLGXPRAFVDPQ-UHFFFAOYSA-N 1 2 299.168 2.123 20 30 CEEDLO C=CCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947582 647664647 /nfs/dbraw/zinc/66/46/47/647664647.db2.gz BMRPKTPVIJQRSB-UHFFFAOYSA-N 1 2 255.115 2.272 20 30 CEEDLO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866265955 647705121 /nfs/dbraw/zinc/70/51/21/647705121.db2.gz WBIXEXGDRBWZBA-IAQYHMDHSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C#N)c1O ZINC000866310295 647730106 /nfs/dbraw/zinc/73/01/06/647730106.db2.gz MKBUFGCUEWYINB-GXFFZTMASA-N 1 2 260.337 2.075 20 30 CEEDLO Cc1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866338129 647742358 /nfs/dbraw/zinc/74/23/58/647742358.db2.gz XSJYNFAISFQTJJ-MRVPVSSYSA-N 1 2 274.349 2.275 20 30 CEEDLO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866342667 647745891 /nfs/dbraw/zinc/74/58/91/647745891.db2.gz UIFNRPSEYFZDOW-BOYPOZMQSA-N 1 2 260.337 2.242 20 30 CEEDLO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(C#N)c1O ZINC000866370584 647761344 /nfs/dbraw/zinc/76/13/44/647761344.db2.gz XTHVVXIUQPVAPU-NQBHXWOUSA-N 1 2 260.337 2.482 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(C#N)c1O ZINC000866375792 647763303 /nfs/dbraw/zinc/76/33/03/647763303.db2.gz FNVDROFWYSOAHC-OBJOEFQTSA-N 1 2 274.364 2.466 20 30 CEEDLO C[C@@H](C#N)CNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783856920 647771430 /nfs/dbraw/zinc/77/14/30/647771430.db2.gz OFVOCYITOBPQTN-JTQLQIEISA-N 1 2 259.338 2.017 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(OC)c1C ZINC000787647905 648125020 /nfs/dbraw/zinc/12/50/20/648125020.db2.gz COFRIMINKQYEDN-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(OC)c1C ZINC000787647905 648125024 /nfs/dbraw/zinc/12/50/24/648125024.db2.gz COFRIMINKQYEDN-HNNXBMFYSA-N 1 2 286.375 2.348 20 30 CEEDLO CCCc1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000122205415 648179757 /nfs/dbraw/zinc/17/97/57/648179757.db2.gz BAEFZWPMWZCEDP-UHFFFAOYSA-N 1 2 274.324 2.054 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2ccn(C)c21 ZINC000788553747 648202420 /nfs/dbraw/zinc/20/24/20/648202420.db2.gz MCRBDJPXIIWZIL-HNNXBMFYSA-N 1 2 281.359 2.214 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2ccn(C)c21 ZINC000788553747 648202424 /nfs/dbraw/zinc/20/24/24/648202424.db2.gz MCRBDJPXIIWZIL-HNNXBMFYSA-N 1 2 281.359 2.214 20 30 CEEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(C)cn2)cn1 ZINC000790162877 648388460 /nfs/dbraw/zinc/38/84/60/648388460.db2.gz XRPFUOUVGMRGPZ-UHFFFAOYSA-N 1 2 299.378 2.314 20 30 CEEDLO C#CCOc1ccc(C=NNc2[nH+]ccn2C)cc1OCC ZINC000790299811 648402723 /nfs/dbraw/zinc/40/27/23/648402723.db2.gz KAMMNWNNZTZVBM-UHFFFAOYSA-N 1 2 298.346 2.277 20 30 CEEDLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(CC#N)CC1)C2 ZINC000790442512 648417127 /nfs/dbraw/zinc/41/71/27/648417127.db2.gz MRXDJULWIRDJCP-UHFFFAOYSA-N 1 2 299.374 2.234 20 30 CEEDLO C#CCNC(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792430462 648645185 /nfs/dbraw/zinc/64/51/85/648645185.db2.gz IRTUHBRDXBXKRV-UHFFFAOYSA-N 1 2 298.308 2.190 20 30 CEEDLO C#CCNC(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792430462 648645188 /nfs/dbraw/zinc/64/51/88/648645188.db2.gz IRTUHBRDXBXKRV-UHFFFAOYSA-N 1 2 298.308 2.190 20 30 CEEDLO CN(C)C(=O)c1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000792924928 648688360 /nfs/dbraw/zinc/68/83/60/648688360.db2.gz HWHAPSOMKHSMIW-BQYQJAHWSA-N 1 2 269.304 2.008 20 30 CEEDLO C=CC(C)(C)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000878685866 651163769 /nfs/dbraw/zinc/16/37/69/651163769.db2.gz OLKFKDRTHFBQKV-UHFFFAOYSA-N 1 2 260.337 2.274 20 30 CEEDLO C[C@H]1C[NH+](Cc2ccnc(Cl)c2)C[C@H](C)N1CC#N ZINC000878775032 651183412 /nfs/dbraw/zinc/18/34/12/651183412.db2.gz ZDZJOSBLGRYJHR-RYUDHWBXSA-N 1 2 278.787 2.153 20 30 CEEDLO CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322270 651285722 /nfs/dbraw/zinc/28/57/22/651285722.db2.gz IYGNXLOAIIBHNK-ZYHUDNBSSA-N 1 2 293.392 2.058 20 30 CEEDLO CO[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000879322270 651285724 /nfs/dbraw/zinc/28/57/24/651285724.db2.gz IYGNXLOAIIBHNK-ZYHUDNBSSA-N 1 2 293.392 2.058 20 30 CEEDLO C[C@H]1c2sccc2CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000880377581 651433342 /nfs/dbraw/zinc/43/33/42/651433342.db2.gz ZPMUIKQXMKKHPT-NSHDSACASA-N 1 2 289.404 2.230 20 30 CEEDLO C[C@H]1c2sccc2CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000880377581 651433343 /nfs/dbraw/zinc/43/33/43/651433343.db2.gz ZPMUIKQXMKKHPT-NSHDSACASA-N 1 2 289.404 2.230 20 30 CEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880492354 651450088 /nfs/dbraw/zinc/45/00/88/651450088.db2.gz QLYXJWRRGSMURX-LBPRGKRZSA-N 1 2 293.164 2.053 20 30 CEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880492354 651450090 /nfs/dbraw/zinc/45/00/90/651450090.db2.gz QLYXJWRRGSMURX-LBPRGKRZSA-N 1 2 293.164 2.053 20 30 CEEDLO N#CCCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883606108 652513112 /nfs/dbraw/zinc/51/31/12/652513112.db2.gz ISBUHQNUBZXRLS-OAHLLOKOSA-N 1 2 297.362 2.227 20 30 CEEDLO FC(F)CON=C1CCN(c2cccc[nH+]2)CC1 ZINC000758899735 805576342 /nfs/dbraw/zinc/57/63/42/805576342.db2.gz MDYVKUJZXNBDAG-UHFFFAOYSA-N 1 2 255.268 2.320 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H]1CC ZINC001087786511 805793013 /nfs/dbraw/zinc/79/30/13/805793013.db2.gz DZAWXBCNBUPHGF-NWDGAFQWSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H]1CC ZINC001087786511 805793020 /nfs/dbraw/zinc/79/30/20/805793020.db2.gz DZAWXBCNBUPHGF-NWDGAFQWSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029453423 805839878 /nfs/dbraw/zinc/83/98/78/805839878.db2.gz AZJZQUSQFQAOPB-GUTXKFCHSA-N 1 2 268.376 2.233 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029453423 805839887 /nfs/dbraw/zinc/83/98/87/805839887.db2.gz AZJZQUSQFQAOPB-GUTXKFCHSA-N 1 2 268.376 2.233 20 30 CEEDLO C=CC[NH2+][C@@H]1CCCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001088316548 806112711 /nfs/dbraw/zinc/11/27/11/806112711.db2.gz CUQTWVLUXLIRON-MNOVXSKESA-N 1 2 296.308 2.434 20 30 CEEDLO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001088316548 806112803 /nfs/dbraw/zinc/11/28/03/806112803.db2.gz CUQTWVLUXLIRON-MNOVXSKESA-N 1 2 296.308 2.434 20 30 CEEDLO C=CCCCC(=O)N(C)CC[N@H+](C)Cc1cnc(C)cn1 ZINC001272097484 806536302 /nfs/dbraw/zinc/53/63/02/806536302.db2.gz BHKVYLDFJOBKBJ-UHFFFAOYSA-N 1 2 290.411 2.032 20 30 CEEDLO C=CCCCC(=O)N(C)CC[N@@H+](C)Cc1cnc(C)cn1 ZINC001272097484 806536306 /nfs/dbraw/zinc/53/63/06/806536306.db2.gz BHKVYLDFJOBKBJ-UHFFFAOYSA-N 1 2 290.411 2.032 20 30 CEEDLO CCOc1cc(C[NH2+]CCC#N)cc(Cl)c1O ZINC000345298469 806720889 /nfs/dbraw/zinc/72/08/89/806720889.db2.gz MYNWANINXQZOGQ-UHFFFAOYSA-N 1 2 254.717 2.448 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001076138093 806814058 /nfs/dbraw/zinc/81/40/58/806814058.db2.gz NPNHHRLFJSXOPB-QJPTWQEYSA-N 1 2 274.767 2.020 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001076138093 806814063 /nfs/dbraw/zinc/81/40/63/806814063.db2.gz NPNHHRLFJSXOPB-QJPTWQEYSA-N 1 2 274.767 2.020 20 30 CEEDLO CC[C@@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001266483667 802626656 /nfs/dbraw/zinc/62/66/56/802626656.db2.gz AEORZTZYAWQWPA-KFWWJZLASA-N 1 2 280.387 2.069 20 30 CEEDLO CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001266483667 802626658 /nfs/dbraw/zinc/62/66/58/802626658.db2.gz AEORZTZYAWQWPA-KFWWJZLASA-N 1 2 280.387 2.069 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108656618 811745378 /nfs/dbraw/zinc/74/53/78/811745378.db2.gz OVHCIPRJNXYRIV-RYUDHWBXSA-N 1 2 276.384 2.304 20 30 CEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001266965140 803025750 /nfs/dbraw/zinc/02/57/50/803025750.db2.gz UHZPAYDYOAMTAY-DGCLKSJQSA-N 1 2 279.384 2.180 20 30 CEEDLO Cc1[nH+]cn(-c2ccc(NCCCS)nn2)c1C ZINC001171000785 813736227 /nfs/dbraw/zinc/73/62/27/813736227.db2.gz HRBRQHDBNNJGBO-UHFFFAOYSA-N 1 2 263.370 2.011 20 30 CEEDLO COc1c(C)[nH+]c(C2CC2)nc1NCCCS ZINC001171003629 813737831 /nfs/dbraw/zinc/73/78/31/813737831.db2.gz FXFZQNSNKKRKEQ-UHFFFAOYSA-N 1 2 253.371 2.403 20 30 CEEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1[Si](C)(C)C ZINC001167666703 803283408 /nfs/dbraw/zinc/28/34/08/803283408.db2.gz ZJIXETGPSCRSHJ-UHFFFAOYSA-N 1 2 291.471 2.121 20 30 CEEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001267528120 803529300 /nfs/dbraw/zinc/52/93/00/803529300.db2.gz UXLSYJXGLJQZPB-BETUJISGSA-N 1 2 291.420 2.285 20 30 CEEDLO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001267528120 803529304 /nfs/dbraw/zinc/52/93/04/803529304.db2.gz UXLSYJXGLJQZPB-BETUJISGSA-N 1 2 291.420 2.285 20 30 CEEDLO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(C#N)o1 ZINC001117751983 814943652 /nfs/dbraw/zinc/94/36/52/814943652.db2.gz YCXKLQZYUGLSQX-UHFFFAOYSA-N 1 2 293.286 2.293 20 30 CEEDLO Cc1ncc(C[N@@H+](C)Cc2cncc(C#N)c2)s1 ZINC000721621612 803537197 /nfs/dbraw/zinc/53/71/97/803537197.db2.gz FKTYTXOMEBOKEY-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO Cc1ncc(C[N@H+](C)Cc2cncc(C#N)c2)s1 ZINC000721621612 803537198 /nfs/dbraw/zinc/53/71/98/803537198.db2.gz FKTYTXOMEBOKEY-UHFFFAOYSA-N 1 2 258.350 2.350 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC001093504555 814952197 /nfs/dbraw/zinc/95/21/97/814952197.db2.gz VBZFREIDSQXUDH-UHFFFAOYSA-N 1 2 294.439 2.300 20 30 CEEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncco1)C2 ZINC001141008627 803651509 /nfs/dbraw/zinc/65/15/09/803651509.db2.gz GKCDJEJANOWNTG-ZFWWWQNUSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncco1)C2 ZINC001141008627 803651512 /nfs/dbraw/zinc/65/15/12/803651512.db2.gz GKCDJEJANOWNTG-ZFWWWQNUSA-N 1 2 278.352 2.001 20 30 CEEDLO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](F)CC ZINC001267707133 803668607 /nfs/dbraw/zinc/66/86/07/803668607.db2.gz MOOROVWOOVLBCK-KKUMJFAQSA-N 1 2 298.402 2.002 20 30 CEEDLO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](F)CC ZINC001267707133 803668610 /nfs/dbraw/zinc/66/86/10/803668610.db2.gz MOOROVWOOVLBCK-KKUMJFAQSA-N 1 2 298.402 2.002 20 30 CEEDLO C=C/C(C)=C\CC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267729520 803680444 /nfs/dbraw/zinc/68/04/44/803680444.db2.gz ZJXKOVVWWWHOSN-PTJCHJMSSA-N 1 2 268.788 2.452 20 30 CEEDLO C=C/C(C)=C\CC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267729520 803680446 /nfs/dbraw/zinc/68/04/46/803680446.db2.gz ZJXKOVVWWWHOSN-PTJCHJMSSA-N 1 2 268.788 2.452 20 30 CEEDLO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001267762413 803716284 /nfs/dbraw/zinc/71/62/84/803716284.db2.gz GRXCOWGNTNXSSZ-OAHLLOKOSA-N 1 2 291.395 2.372 20 30 CEEDLO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001267762413 803716286 /nfs/dbraw/zinc/71/62/86/803716286.db2.gz GRXCOWGNTNXSSZ-OAHLLOKOSA-N 1 2 291.395 2.372 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001268024591 804020898 /nfs/dbraw/zinc/02/08/98/804020898.db2.gz IYRZBJOYRJQKIT-ZFWWWQNUSA-N 1 2 282.428 2.062 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001268024591 804020906 /nfs/dbraw/zinc/02/09/06/804020906.db2.gz IYRZBJOYRJQKIT-ZFWWWQNUSA-N 1 2 282.428 2.062 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001027817694 804273586 /nfs/dbraw/zinc/27/35/86/804273586.db2.gz WDKRNUFBVSLYSV-CYBMUJFWSA-N 1 2 297.761 2.167 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001027817694 804273591 /nfs/dbraw/zinc/27/35/91/804273591.db2.gz WDKRNUFBVSLYSV-CYBMUJFWSA-N 1 2 297.761 2.167 20 30 CEEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001139692245 804475237 /nfs/dbraw/zinc/47/52/37/804475237.db2.gz SLSPQCVJMIBONM-SMDDNHRTSA-N 1 2 262.740 2.432 20 30 CEEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001139692245 804475243 /nfs/dbraw/zinc/47/52/43/804475243.db2.gz SLSPQCVJMIBONM-SMDDNHRTSA-N 1 2 262.740 2.432 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1conc1CC ZINC001028120682 804477495 /nfs/dbraw/zinc/47/74/95/804477495.db2.gz TWEZQGVZRBZUAA-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1conc1CC ZINC001028120682 804477501 /nfs/dbraw/zinc/47/75/01/804477501.db2.gz TWEZQGVZRBZUAA-LLVKDONJSA-N 1 2 297.786 2.184 20 30 CEEDLO CC1CC(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001038157519 804492280 /nfs/dbraw/zinc/49/22/80/804492280.db2.gz HJLWEYIXWYEBOX-VMWRSERWSA-N 1 2 296.414 2.275 20 30 CEEDLO CC1CC(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001038157519 804492281 /nfs/dbraw/zinc/49/22/81/804492281.db2.gz HJLWEYIXWYEBOX-VMWRSERWSA-N 1 2 296.414 2.275 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CCC2CCCC2)C1 ZINC001268250198 804572571 /nfs/dbraw/zinc/57/25/71/804572571.db2.gz ZJTALIYDPCVGQC-UHFFFAOYSA-N 1 2 250.386 2.333 20 30 CEEDLO C=C(C)C[NH+]1CC(NC(=O)CO[C@H]2CCCC[C@@H]2CC)C1 ZINC001268300017 804603420 /nfs/dbraw/zinc/60/34/20/804603420.db2.gz LYVVIRWNIKFVIP-HOCLYGCPSA-N 1 2 294.439 2.348 20 30 CEEDLO CC1(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001269234710 805096577 /nfs/dbraw/zinc/09/65/77/805096577.db2.gz DIWBEXHSBXCLRI-INIZCTEOSA-N 1 2 282.387 2.029 20 30 CEEDLO CC1(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001269234710 805096585 /nfs/dbraw/zinc/09/65/85/805096585.db2.gz DIWBEXHSBXCLRI-INIZCTEOSA-N 1 2 282.387 2.029 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001269336909 805134006 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/nfs/dbraw/zinc/30/21/51/812302151.db2.gz PLMKCINSPUJENP-YIYPIFLZSA-N 1 2 298.814 2.030 20 30 CEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(CC)CCC1)CCO2 ZINC001053385696 812500680 /nfs/dbraw/zinc/50/06/80/812500680.db2.gz OKRZGSNUQCRZTI-UHFFFAOYSA-N 1 2 292.423 2.056 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)=C1CCC1)CO2 ZINC001053796234 812515102 /nfs/dbraw/zinc/51/51/02/812515102.db2.gz DYFGZJRNQTUSQQ-HNNXBMFYSA-N 1 2 290.407 2.022 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc[nH]c3C)cc2C1 ZINC001054260038 812556533 /nfs/dbraw/zinc/55/65/33/812556533.db2.gz ZFYBRNYLSNAZJS-UHFFFAOYSA-N 1 2 293.370 2.202 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc[nH]c3C)cc2C1 ZINC001054260038 812556539 /nfs/dbraw/zinc/55/65/39/812556539.db2.gz ZFYBRNYLSNAZJS-UHFFFAOYSA-N 1 2 293.370 2.202 20 30 CEEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132398917 812839149 /nfs/dbraw/zinc/83/91/49/812839149.db2.gz UTSFRRAFCNLUEU-UHFFFAOYSA-N 1 2 291.395 2.081 20 30 CEEDLO C#Cc1cnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#C)n1 ZINC001212694266 815559887 /nfs/dbraw/zinc/55/98/87/815559887.db2.gz RLCMQVLUAOCFAG-UHFFFAOYSA-N 1 2 299.337 2.428 20 30 CEEDLO CC#CCCCC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001132593189 812904023 /nfs/dbraw/zinc/90/40/23/812904023.db2.gz VBVGFUKUJQAWMG-UHFFFAOYSA-N 1 2 291.395 2.197 20 30 CEEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001132660936 812919947 /nfs/dbraw/zinc/91/99/47/812919947.db2.gz XLYBGGCWKLWUSL-QWHCGFSZSA-N 1 2 279.384 2.352 20 30 CEEDLO C=C1CCC(C(=O)NCC[NH2+][C@@H](C)c2csnn2)CC1 ZINC001133365208 813038958 /nfs/dbraw/zinc/03/89/58/813038958.db2.gz HLEWJCQULUWMSN-NSHDSACASA-N 1 2 294.424 2.051 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001133381241 813043653 /nfs/dbraw/zinc/04/36/53/813043653.db2.gz ZJAMXBOPEGMNMO-SWLSCSKDSA-N 1 2 279.384 2.352 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001133381102 813043926 /nfs/dbraw/zinc/04/39/26/813043926.db2.gz WEPMSCQHPFYFDD-IAQYHMDHSA-N 1 2 294.399 2.001 20 30 CEEDLO Cn1c[nH+]cc1C1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001124126196 815600993 /nfs/dbraw/zinc/60/09/93/815600993.db2.gz GPQBBNVECHMTIN-UHFFFAOYSA-N 1 2 273.380 2.176 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccsn2)CC[C@H]1C ZINC001071604529 813447042 /nfs/dbraw/zinc/44/70/42/813447042.db2.gz ZWCZCHPVAAGVHB-MNOVXSKESA-N 1 2 299.827 2.478 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccsn2)CC[C@H]1C ZINC001071604529 813447047 /nfs/dbraw/zinc/44/70/47/813447047.db2.gz ZWCZCHPVAAGVHB-MNOVXSKESA-N 1 2 299.827 2.478 20 30 CEEDLO C#C[C@](C)(CC)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000395183453 813490182 /nfs/dbraw/zinc/49/01/82/813490182.db2.gz GVLWNVDQBSUTAI-CQSZACIVSA-N 1 2 279.409 2.407 20 30 CEEDLO N#Cc1cccc(Cl)c1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001143726668 813868162 /nfs/dbraw/zinc/86/81/62/813868162.db2.gz XPDZSTQYYITWDJ-LBPRGKRZSA-N 1 2 293.773 2.440 20 30 CEEDLO N#Cc1cccc(Cl)c1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001143726668 813868169 /nfs/dbraw/zinc/86/81/69/813868169.db2.gz XPDZSTQYYITWDJ-LBPRGKRZSA-N 1 2 293.773 2.440 20 30 CEEDLO C=C(C(=O)Nc1cc[nH+]c2c1CCC2)C(F)(F)F ZINC001144203000 813994874 /nfs/dbraw/zinc/99/48/74/813994874.db2.gz ONPZUCOYRUHVHC-UHFFFAOYSA-N 1 2 256.227 2.049 20 30 CEEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(O)cn1)C2 ZINC001144255753 814002924 /nfs/dbraw/zinc/00/29/24/814002924.db2.gz OBXWPGGRARXZJU-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(O)cn1)C2 ZINC001144255753 814002928 /nfs/dbraw/zinc/00/29/28/814002928.db2.gz OBXWPGGRARXZJU-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO COC(=O)C(C)(C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171179045 814061427 /nfs/dbraw/zinc/06/14/27/814061427.db2.gz OZTBMQMZOWROJK-LLVKDONJSA-N 1 2 260.337 2.030 20 30 CEEDLO Cc1ccc2[nH+]cc(CN=Nc3ccccn3)n2c1 ZINC000755520501 814163211 /nfs/dbraw/zinc/16/32/11/814163211.db2.gz ZQIZQHFJJYPYMX-UHFFFAOYSA-N 1 2 251.293 2.484 20 30 CEEDLO CC(C)N1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171230639 814200565 /nfs/dbraw/zinc/20/05/65/814200565.db2.gz WRQFSJTWZBFNNZ-CQSZACIVSA-N 1 2 285.391 2.042 20 30 CEEDLO CC(C)N1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171230639 814200573 /nfs/dbraw/zinc/20/05/73/814200573.db2.gz WRQFSJTWZBFNNZ-CQSZACIVSA-N 1 2 285.391 2.042 20 30 CEEDLO C=C1CC(C)(C(=O)NC[C@@H](CC)Nc2cc[nH+]c(C)n2)C1 ZINC001103304219 814487100 /nfs/dbraw/zinc/48/71/00/814487100.db2.gz MBSAEMUSUSFABY-CYBMUJFWSA-N 1 2 288.395 2.448 20 30 CEEDLO N#Cc1cc(C(=O)NCCCNc2cccc[nH+]2)cs1 ZINC001147838216 814503687 /nfs/dbraw/zinc/50/36/87/814503687.db2.gz RNMCVKGQGLESJB-UHFFFAOYSA-N 1 2 286.360 2.247 20 30 CEEDLO C[C@@H](C#N)c1cccc(C(=O)NCCc2[nH+]ccn2C)c1 ZINC001148628770 814597470 /nfs/dbraw/zinc/59/74/70/814597470.db2.gz IIXSSNMMBABDPG-LBPRGKRZSA-N 1 2 282.347 2.020 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756235 814604826 /nfs/dbraw/zinc/60/48/26/814604826.db2.gz IYPCXESDRMBWSW-NHCYSSNCSA-N 1 2 294.292 2.044 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756235 814604830 /nfs/dbraw/zinc/60/48/30/814604830.db2.gz IYPCXESDRMBWSW-NHCYSSNCSA-N 1 2 294.292 2.044 20 30 CEEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H](C#N)CC)CC2 ZINC001173608085 815762379 /nfs/dbraw/zinc/76/23/79/815762379.db2.gz ZUDFZBAXKUGIIR-SDFYHXNISA-N 1 2 264.369 2.390 20 30 CEEDLO N#CC1([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CCCCCC1 ZINC001173733390 815805443 /nfs/dbraw/zinc/80/54/43/815805443.db2.gz IXQBYVBNRFSVLL-UONOGXRCSA-N 1 2 288.399 2.363 20 30 CEEDLO C=CCCCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001138714126 815875645 /nfs/dbraw/zinc/87/56/45/815875645.db2.gz OIEYIAPBGBXMMC-HUUCEWRRSA-N 1 2 282.428 2.348 20 30 CEEDLO C=CCCCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001138714126 815875652 /nfs/dbraw/zinc/87/56/52/815875652.db2.gz OIEYIAPBGBXMMC-HUUCEWRRSA-N 1 2 282.428 2.348 20 30 CEEDLO Cc1ccc(C[N@H+]2CCc3c(cnn3C)C2)cc1C#N ZINC001139726016 816096321 /nfs/dbraw/zinc/09/63/21/816096321.db2.gz MXUXPRLKKIWKLE-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO Cc1ccc(C[N@@H+]2CCc3c(cnn3C)C2)cc1C#N ZINC001139726016 816096326 /nfs/dbraw/zinc/09/63/26/816096326.db2.gz MXUXPRLKKIWKLE-UHFFFAOYSA-N 1 2 266.348 2.159 20 30 CEEDLO Cn1ncc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc21 ZINC001139950361 816149654 /nfs/dbraw/zinc/14/96/54/816149654.db2.gz FJGWWCCVHHQXLY-CYBMUJFWSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1ncc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc21 ZINC001139950361 816149660 /nfs/dbraw/zinc/14/96/60/816149660.db2.gz FJGWWCCVHHQXLY-CYBMUJFWSA-N 1 2 254.337 2.309 20 30 CEEDLO CN(C)c1ccc(Nc2c(O)cccc2C#N)c[nH+]1 ZINC001175346062 816168327 /nfs/dbraw/zinc/16/83/27/816168327.db2.gz LALIUBVMIOOHBT-UHFFFAOYSA-N 1 2 254.293 2.468 20 30 CEEDLO Nc1ccccc1C(NO)=[NH+]c1ccc2nccnc2c1 ZINC001175494505 816211283 /nfs/dbraw/zinc/21/12/83/816211283.db2.gz LQFQTDDMIZQFKZ-UHFFFAOYSA-N 1 2 279.303 2.269 20 30 CEEDLO C[N@H+](CCC#N)Cc1ccc(-c2cncnc2)cc1 ZINC001140351459 816244109 /nfs/dbraw/zinc/24/41/09/816244109.db2.gz ZRFGDTBPYQNCKG-UHFFFAOYSA-N 1 2 252.321 2.489 20 30 CEEDLO C[N@@H+](CCC#N)Cc1ccc(-c2cncnc2)cc1 ZINC001140351459 816244114 /nfs/dbraw/zinc/24/41/14/816244114.db2.gz ZRFGDTBPYQNCKG-UHFFFAOYSA-N 1 2 252.321 2.489 20 30 CEEDLO N#CCC1C[NH+](Cc2ccc(OC(F)F)c(O)c2)C1 ZINC001140624537 816308087 /nfs/dbraw/zinc/30/80/87/816308087.db2.gz ACQSMTIUUXFCJE-UHFFFAOYSA-N 1 2 268.263 2.339 20 30 CEEDLO N#Cc1c(N)sc(C[NH+]2CC3(C2)CCOC3)c1Cl ZINC001141108968 816474374 /nfs/dbraw/zinc/47/43/74/816474374.db2.gz KLKNTGPGWMLLOP-UHFFFAOYSA-N 1 2 283.784 2.078 20 30 CEEDLO N#Cc1c2c(sc1NC(=O)Cc1c[nH]c[nH+]1)CCC2 ZINC001176827047 816480248 /nfs/dbraw/zinc/48/02/48/816480248.db2.gz DLLDNMQIYIOCDJ-UHFFFAOYSA-N 1 2 272.333 2.013 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCc2c(=O)[nH]ccc2C1 ZINC001141166970 816495200 /nfs/dbraw/zinc/49/52/00/816495200.db2.gz RVSCDLBALMJFLS-UHFFFAOYSA-N 1 2 283.306 2.356 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCc2c(=O)[nH]ccc2C1 ZINC001141166970 816495204 /nfs/dbraw/zinc/49/52/04/816495204.db2.gz RVSCDLBALMJFLS-UHFFFAOYSA-N 1 2 283.306 2.356 20 30 CEEDLO N#Cc1sccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178100951 816675078 /nfs/dbraw/zinc/67/50/78/816675078.db2.gz KSYGPJITUCLFPF-VIFPVBQESA-N 1 2 272.333 2.017 20 30 CEEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164974 816795939 /nfs/dbraw/zinc/79/59/39/816795939.db2.gz ROQBVOSPYGPSMN-LLVKDONJSA-N 1 2 294.301 2.221 20 30 CEEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164974 816795944 /nfs/dbraw/zinc/79/59/44/816795944.db2.gz ROQBVOSPYGPSMN-LLVKDONJSA-N 1 2 294.301 2.221 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CC[C@@]1(C)O ZINC001143165247 816795971 /nfs/dbraw/zinc/79/59/71/816795971.db2.gz WNIYHMUJRQFMPC-MEBBXXQBSA-N 1 2 280.318 2.429 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CC[C@@]1(C)O ZINC001143165247 816795976 /nfs/dbraw/zinc/79/59/76/816795976.db2.gz WNIYHMUJRQFMPC-MEBBXXQBSA-N 1 2 280.318 2.429 20 30 CEEDLO O=C1C=C2C[N@@H+](Cc3cc4cccnc4[nH]3)CC[C@H]2S1 ZINC001143214371 816811551 /nfs/dbraw/zinc/81/15/51/816811551.db2.gz OKCLUBJQWMQEQV-CYBMUJFWSA-N 1 2 285.372 2.337 20 30 CEEDLO O=C1C=C2C[N@H+](Cc3cc4cccnc4[nH]3)CC[C@H]2S1 ZINC001143214371 816811560 /nfs/dbraw/zinc/81/15/60/816811560.db2.gz OKCLUBJQWMQEQV-CYBMUJFWSA-N 1 2 285.372 2.337 20 30 CEEDLO C=CCC(F)(F)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179092619 816833416 /nfs/dbraw/zinc/83/34/16/816833416.db2.gz SKLWSNKRKIVVCK-UHFFFAOYSA-N 1 2 257.284 2.361 20 30 CEEDLO C=CCC(F)(F)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179092619 816833423 /nfs/dbraw/zinc/83/34/23/816833423.db2.gz SKLWSNKRKIVVCK-UHFFFAOYSA-N 1 2 257.284 2.361 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/C3CC3)CC2)cc1 ZINC000079298294 343977370 /nfs/dbraw/zinc/97/73/70/343977370.db2.gz DYWHVQYLDXOTFB-BQYQJAHWSA-N 1 2 295.386 2.169 20 30 CEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000121435227 365568725 /nfs/dbraw/zinc/56/87/25/365568725.db2.gz UMSLZZNZWDOCFC-UHFFFAOYSA-N 1 2 299.418 2.494 20 30 CEEDLO C=CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121642580 365597297 /nfs/dbraw/zinc/59/72/97/365597297.db2.gz JGAPUICOGVXCTE-RYUDHWBXSA-N 1 2 253.367 2.058 20 30 CEEDLO C=CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121642580 365597303 /nfs/dbraw/zinc/59/73/03/365597303.db2.gz JGAPUICOGVXCTE-RYUDHWBXSA-N 1 2 253.367 2.058 20 30 CEEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000125445852 365676354 /nfs/dbraw/zinc/67/63/54/365676354.db2.gz JJOSORGIFUXMDT-HNNXBMFYSA-N 1 2 272.348 2.474 20 30 CEEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000125445852 365676361 /nfs/dbraw/zinc/67/63/61/365676361.db2.gz JJOSORGIFUXMDT-HNNXBMFYSA-N 1 2 272.348 2.474 20 30 CEEDLO N#C[C@@H]1CSCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601408739 346833790 /nfs/dbraw/zinc/83/37/90/346833790.db2.gz TWNRMNQIKNOFLS-CYBMUJFWSA-N 1 2 298.371 2.158 20 30 CEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621405048 349594862 /nfs/dbraw/zinc/59/48/62/349594862.db2.gz JCQDJVPTXKLURX-JQWIXIFHSA-N 1 2 274.355 2.481 20 30 CEEDLO CC[C@H](C#N)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601652858 346869851 /nfs/dbraw/zinc/86/98/51/346869851.db2.gz KIJPGEBCOFMHHL-GFCCVEGCSA-N 1 2 268.320 2.243 20 30 CEEDLO C[NH+](C)[C@@H](C(=O)NO)c1cc(Cl)cc(Cl)c1 ZINC000671995250 539195410 /nfs/dbraw/zinc/19/54/10/539195410.db2.gz IQYCGINUKKNJBE-SECBINFHSA-N 1 2 263.124 2.102 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126217881 365703074 /nfs/dbraw/zinc/70/30/74/365703074.db2.gz GEJSATBVKBIRHS-GOEBONIOSA-N 1 2 288.391 2.059 20 30 CEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126217881 365703078 /nfs/dbraw/zinc/70/30/78/365703078.db2.gz GEJSATBVKBIRHS-GOEBONIOSA-N 1 2 288.391 2.059 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000299339840 260182811 /nfs/dbraw/zinc/18/28/11/260182811.db2.gz ACNMHCFINMIGRZ-GFCCVEGCSA-N 1 2 265.378 2.106 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000299339840 260182813 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/nfs/dbraw/zinc/43/71/84/345437184.db2.gz XVMYJMBCFMKVEH-CYBMUJFWSA-N 1 2 299.374 2.140 20 30 CEEDLO COc1cc(C#N)ccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593129527 345445452 /nfs/dbraw/zinc/44/54/52/345445452.db2.gz WYJPEDWOBIWNTJ-NSHDSACASA-N 1 2 284.319 2.353 20 30 CEEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000057597974 362587446 /nfs/dbraw/zinc/58/74/46/362587446.db2.gz HUCDHOKBBYDYNM-HNNXBMFYSA-N 1 2 272.348 2.476 20 30 CEEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000057597974 362587452 /nfs/dbraw/zinc/58/74/52/362587452.db2.gz HUCDHOKBBYDYNM-HNNXBMFYSA-N 1 2 272.348 2.476 20 30 CEEDLO C[C@@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000593395933 345476203 /nfs/dbraw/zinc/47/62/03/345476203.db2.gz DRZFNGQXGCCMAH-SMDDNHRTSA-N 1 2 286.310 2.354 20 30 CEEDLO N#CC1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCC1 ZINC000593773804 345535574 /nfs/dbraw/zinc/53/55/74/345535574.db2.gz BNDCXJROOWWGTK-UHFFFAOYSA-N 1 2 295.346 2.081 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)C(=O)OC ZINC000593623181 345515301 /nfs/dbraw/zinc/51/53/01/345515301.db2.gz XGSLXYOTURIIER-IHRRRGAJSA-N 1 2 269.385 2.289 20 30 CEEDLO COc1c(N)[nH+]cnc1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000594585311 345651910 /nfs/dbraw/zinc/65/19/10/345651910.db2.gz RBQORFLOIANHHI-ZDUSSCGKSA-N 1 2 295.346 2.429 20 30 CEEDLO COc1c(N)nc[nH+]c1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000594585311 345651913 /nfs/dbraw/zinc/65/19/13/345651913.db2.gz RBQORFLOIANHHI-ZDUSSCGKSA-N 1 2 295.346 2.429 20 30 CEEDLO Cc1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1C ZINC000057907563 362600920 /nfs/dbraw/zinc/60/09/20/362600920.db2.gz JGWLUSMQVQBKPR-UHFFFAOYSA-N 1 2 271.364 2.478 20 30 CEEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057907352 362601243 /nfs/dbraw/zinc/60/12/43/362601243.db2.gz LVCRMIFOWGNQBE-LBPRGKRZSA-N 1 2 257.337 2.249 20 30 CEEDLO Cc1c[nH+]c(CCNc2ccncc2C#N)c(C)c1 ZINC000594595720 345654812 /nfs/dbraw/zinc/65/48/12/345654812.db2.gz IPPRXGYUUXYTRK-UHFFFAOYSA-N 1 2 252.321 2.042 20 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CUFFPPVKFUWNBC-DOMZBBRYSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834676 345891144 /nfs/dbraw/zinc/89/11/44/345891144.db2.gz NHYOBLWLKNVFDZ-BBRMVZONSA-N 1 2 271.364 2.273 20 30 CEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834676 345891145 /nfs/dbraw/zinc/89/11/45/345891145.db2.gz NHYOBLWLKNVFDZ-BBRMVZONSA-N 1 2 271.364 2.273 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000595835600 345892277 /nfs/dbraw/zinc/89/22/77/345892277.db2.gz SEHXFHSADOTHGM-MRXNPFEDSA-N 1 2 275.396 2.229 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000595835600 345892280 /nfs/dbraw/zinc/89/22/80/345892280.db2.gz SEHXFHSADOTHGM-MRXNPFEDSA-N 1 2 275.396 2.229 20 30 CEEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836386 345892523 /nfs/dbraw/zinc/89/25/23/345892523.db2.gz YXCDOSDBZLIPTP-CJNGLKHVSA-N 1 2 277.412 2.307 20 30 CEEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836386 345892525 /nfs/dbraw/zinc/89/25/25/345892525.db2.gz YXCDOSDBZLIPTP-CJNGLKHVSA-N 1 2 277.412 2.307 20 30 CEEDLO CN(Cc1c[nH+]c[nH]1)c1nc(C(F)(F)F)ccc1C#N ZINC000596305854 345995114 /nfs/dbraw/zinc/99/51/14/345995114.db2.gz NSIFZDPBYCRAGD-UHFFFAOYSA-N 1 2 281.241 2.332 20 30 CEEDLO CN(Cc1c[nH]c[nH+]1)c1nc(C(F)(F)F)ccc1C#N ZINC000596305854 345995118 /nfs/dbraw/zinc/99/51/18/345995118.db2.gz NSIFZDPBYCRAGD-UHFFFAOYSA-N 1 2 281.241 2.332 20 30 CEEDLO Cc1cc(NCc2ccc[nH+]c2N2CCCC2)c(C#N)cn1 ZINC000596356619 346006982 /nfs/dbraw/zinc/00/69/82/346006982.db2.gz LBCIHQNISANINJ-UHFFFAOYSA-N 1 2 293.374 2.291 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000596696032 346077209 /nfs/dbraw/zinc/07/72/09/346077209.db2.gz ABMDXRBWAAKEAE-TZMCWYRMSA-N 1 2 282.347 2.175 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000596712339 346078542 /nfs/dbraw/zinc/07/85/42/346078542.db2.gz ZBQPCMKVYQZZMW-MGPQQGTHSA-N 1 2 298.321 2.044 20 30 CEEDLO C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000596740175 346082752 /nfs/dbraw/zinc/08/27/52/346082752.db2.gz CZVHBORWFKUGKW-FZMZJTMJSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000596740175 346082753 /nfs/dbraw/zinc/08/27/53/346082753.db2.gz CZVHBORWFKUGKW-FZMZJTMJSA-N 1 2 294.358 2.264 20 30 CEEDLO C[C@@H](CC#N)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000596893176 346102534 /nfs/dbraw/zinc/10/25/34/346102534.db2.gz FVRXIAZXZBZOOB-ZDUSSCGKSA-N 1 2 298.346 2.450 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000596594617 346061976 /nfs/dbraw/zinc/06/19/76/346061976.db2.gz SECKFSPWJLKQNH-UHFFFAOYSA-N 1 2 270.311 2.369 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000596594617 346061978 /nfs/dbraw/zinc/06/19/78/346061978.db2.gz SECKFSPWJLKQNH-UHFFFAOYSA-N 1 2 270.311 2.369 20 30 CEEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccncc2C#N)C1 ZINC000596597866 346062500 /nfs/dbraw/zinc/06/25/00/346062500.db2.gz ZLSDDTCLZPLILC-UHFFFAOYSA-N 1 2 281.363 2.261 20 30 CEEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccncc2C#N)C1 ZINC000596597866 346062503 /nfs/dbraw/zinc/06/25/03/346062503.db2.gz ZLSDDTCLZPLILC-UHFFFAOYSA-N 1 2 281.363 2.261 20 30 CEEDLO CC(C)N1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000597084909 346126991 /nfs/dbraw/zinc/12/69/91/346126991.db2.gz QYFIKOZTJZCBML-UHFFFAOYSA-N 1 2 297.402 2.294 20 30 CEEDLO CC(C)N1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000597084909 346126993 /nfs/dbraw/zinc/12/69/93/346126993.db2.gz QYFIKOZTJZCBML-UHFFFAOYSA-N 1 2 297.402 2.294 20 30 CEEDLO Cn1cnnc1C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131930 346132567 /nfs/dbraw/zinc/13/25/67/346132567.db2.gz YUGIMZPPHXRDRZ-UHFFFAOYSA-N 1 2 281.363 2.002 20 30 CEEDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131930 346132569 /nfs/dbraw/zinc/13/25/69/346132569.db2.gz YUGIMZPPHXRDRZ-UHFFFAOYSA-N 1 2 281.363 2.002 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000597755273 346226493 /nfs/dbraw/zinc/22/64/93/346226493.db2.gz PPJMTPJOBLUCII-LBPRGKRZSA-N 1 2 280.331 2.333 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000597755273 346226497 /nfs/dbraw/zinc/22/64/97/346226497.db2.gz PPJMTPJOBLUCII-LBPRGKRZSA-N 1 2 280.331 2.333 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597910332 346251085 /nfs/dbraw/zinc/25/10/85/346251085.db2.gz ZBJBPANFTMCPQU-CQSZACIVSA-N 1 2 296.374 2.497 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000598316633 346325082 /nfs/dbraw/zinc/32/50/82/346325082.db2.gz XCTCDUFAXUBZOC-CHWSQXEVSA-N 1 2 286.379 2.114 20 30 CEEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598589405 346378376 /nfs/dbraw/zinc/37/83/76/346378376.db2.gz MHODKHLAAMJGJG-SNVBAGLBSA-N 1 2 286.326 2.011 20 30 CEEDLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598589405 346378378 /nfs/dbraw/zinc/37/83/78/346378378.db2.gz MHODKHLAAMJGJG-SNVBAGLBSA-N 1 2 286.326 2.011 20 30 CEEDLO C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000598692088 346402162 /nfs/dbraw/zinc/40/21/62/346402162.db2.gz XBRJCNFRBXCONB-NSHDSACASA-N 1 2 282.347 2.436 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CC2(C1)CCCCC2 ZINC000598836302 346425804 /nfs/dbraw/zinc/42/58/04/346425804.db2.gz FUHVTHRZYQARTI-HNNXBMFYSA-N 1 2 277.412 2.307 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C2CC2)cc1 ZINC000598836201 346425818 /nfs/dbraw/zinc/42/58/18/346425818.db2.gz CIXFGKZSPSKPFW-INIZCTEOSA-N 1 2 271.364 2.138 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000602596355 347092943 /nfs/dbraw/zinc/09/29/43/347092943.db2.gz IZRHFESRQUVRFY-GFCCVEGCSA-N 1 2 267.279 2.157 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000602596355 347092946 /nfs/dbraw/zinc/09/29/46/347092946.db2.gz IZRHFESRQUVRFY-GFCCVEGCSA-N 1 2 267.279 2.157 20 30 CEEDLO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000602607156 347098189 /nfs/dbraw/zinc/09/81/89/347098189.db2.gz HDUNYUPZVYRGTL-DOMZBBRYSA-N 1 2 289.354 2.238 20 30 CEEDLO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000602607156 347098192 /nfs/dbraw/zinc/09/81/92/347098192.db2.gz HDUNYUPZVYRGTL-DOMZBBRYSA-N 1 2 289.354 2.238 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1C#N ZINC000599386742 346511081 /nfs/dbraw/zinc/51/10/81/346511081.db2.gz WVBQSBJQJPKGCO-BLVKFPJESA-N 1 2 276.405 2.067 20 30 CEEDLO Cc1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cc1C#N ZINC000599386742 346511084 /nfs/dbraw/zinc/51/10/84/346511084.db2.gz WVBQSBJQJPKGCO-BLVKFPJESA-N 1 2 276.405 2.067 20 30 CEEDLO Cc1ccc(C[NH+]2CCN(c3ncns3)CC2)cc1C#N ZINC000599433405 346518814 /nfs/dbraw/zinc/51/88/14/346518814.db2.gz FMANVCLUHJZTLG-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000599310718 346496175 /nfs/dbraw/zinc/49/61/75/346496175.db2.gz AXGZOWYXSJSHDW-CVEARBPZSA-N 1 2 283.375 2.110 20 30 CEEDLO Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000599310718 346496178 /nfs/dbraw/zinc/49/61/78/346496178.db2.gz AXGZOWYXSJSHDW-CVEARBPZSA-N 1 2 283.375 2.110 20 30 CEEDLO Cc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1C#N ZINC000599452735 346523183 /nfs/dbraw/zinc/52/31/83/346523183.db2.gz AUEUVZUGSDKJIT-HZPDHXFCSA-N 1 2 286.375 2.245 20 30 CEEDLO Cc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1C#N ZINC000599452735 346523185 /nfs/dbraw/zinc/52/31/85/346523185.db2.gz AUEUVZUGSDKJIT-HZPDHXFCSA-N 1 2 286.375 2.245 20 30 CEEDLO Cc1nnc([C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)[nH]1 ZINC000599677934 346562291 /nfs/dbraw/zinc/56/22/91/346562291.db2.gz NEDCPFHOEFQAID-LLVKDONJSA-N 1 2 281.363 2.299 20 30 CEEDLO Cc1nnc([C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)[nH]1 ZINC000599677934 346562294 /nfs/dbraw/zinc/56/22/94/346562294.db2.gz NEDCPFHOEFQAID-LLVKDONJSA-N 1 2 281.363 2.299 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641487 346552069 /nfs/dbraw/zinc/55/20/69/346552069.db2.gz IXDWSUKIHIEXEZ-CQSZACIVSA-N 1 2 278.327 2.127 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000599641487 346552073 /nfs/dbraw/zinc/55/20/73/346552073.db2.gz IXDWSUKIHIEXEZ-CQSZACIVSA-N 1 2 278.327 2.127 20 30 CEEDLO CCOC(=O)c1cccc(C[NH2+][C@H](CC)CC#N)n1 ZINC000600152606 346607889 /nfs/dbraw/zinc/60/78/89/346607889.db2.gz ULAGMUUWDKISSQ-LLVKDONJSA-N 1 2 261.325 2.040 20 30 CEEDLO CN(C)c1c(F)c(F)ccc1C[NH2+]CC1(C#N)CC1 ZINC000600153316 346608023 /nfs/dbraw/zinc/60/80/23/346608023.db2.gz IZLVVKQARYWAMH-UHFFFAOYSA-N 1 2 265.307 2.424 20 30 CEEDLO CC(C)N1CCC[C@H]([N@H+](C[C@@H](C)C#N)C2CC2)C1=O ZINC000336801560 365833183 /nfs/dbraw/zinc/83/31/83/365833183.db2.gz QNTQCEVTWCKHIP-JSGCOSHPSA-N 1 2 263.385 2.010 20 30 CEEDLO CC(C)N1CCC[C@H]([N@@H+](C[C@@H](C)C#N)C2CC2)C1=O ZINC000336801560 365833187 /nfs/dbraw/zinc/83/31/87/365833187.db2.gz QNTQCEVTWCKHIP-JSGCOSHPSA-N 1 2 263.385 2.010 20 30 CEEDLO COc1ncc(Br)cc1C[NH2+][C@H](C)CC#N ZINC000600611183 346661599 /nfs/dbraw/zinc/66/15/99/346661599.db2.gz NXXUXEJKYXBCQK-MRVPVSSYSA-N 1 2 284.157 2.244 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CC(C)(C)C(=O)OC)c1 ZINC000129357501 365851649 /nfs/dbraw/zinc/85/16/49/365851649.db2.gz RCIAEDYAGUELGE-CXUHLZMHSA-N 1 2 279.336 2.409 20 30 CEEDLO CC[C@](C)(C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601026603 346734580 /nfs/dbraw/zinc/73/45/80/346734580.db2.gz PBZQZYROVJRKRV-OAHLLOKOSA-N 1 2 268.320 2.499 20 30 CEEDLO N#CC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC2(CC2)C1 ZINC000601035049 346736738 /nfs/dbraw/zinc/73/67/38/346736738.db2.gz AUBBFLNZKVJLJQ-ZDUSSCGKSA-N 1 2 284.363 2.131 20 30 CEEDLO CC(C)(CNc1nc(C#N)c(Cl)s1)n1cc[nH+]c1 ZINC000601197994 346784506 /nfs/dbraw/zinc/78/45/06/346784506.db2.gz KTJNJCSGWWIVGS-UHFFFAOYSA-N 1 2 281.772 2.134 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602643912 347119794 /nfs/dbraw/zinc/11/97/94/347119794.db2.gz OSYUVFWLPPMAJW-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCO1 ZINC000602643912 347119798 /nfs/dbraw/zinc/11/97/98/347119798.db2.gz OSYUVFWLPPMAJW-AWEZNQCLSA-N 1 2 259.353 2.200 20 30 CEEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)sn1 ZINC000602675240 347137268 /nfs/dbraw/zinc/13/72/68/347137268.db2.gz ZZPJDLPPJOHHKL-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cccc(OC)c1 ZINC000602712044 347164899 /nfs/dbraw/zinc/16/48/99/347164899.db2.gz XKUBQHJOGDKLGK-WFASDCNBSA-N 1 2 290.363 2.439 20 30 CEEDLO N#CCC1(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000602799044 347203509 /nfs/dbraw/zinc/20/35/09/347203509.db2.gz AGVXFYRJEQWMQU-UHFFFAOYSA-N 1 2 272.308 2.042 20 30 CEEDLO N#CCC1(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000602799044 347203514 /nfs/dbraw/zinc/20/35/14/347203514.db2.gz AGVXFYRJEQWMQU-UHFFFAOYSA-N 1 2 272.308 2.042 20 30 CEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CC1(CC#N)CC1 ZINC000602807731 347207545 /nfs/dbraw/zinc/20/75/45/347207545.db2.gz KRVZJZSKSNIKHN-HNNXBMFYSA-N 1 2 283.375 2.162 20 30 CEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CC1(CC#N)CC1 ZINC000602807731 347207546 /nfs/dbraw/zinc/20/75/46/347207546.db2.gz KRVZJZSKSNIKHN-HNNXBMFYSA-N 1 2 283.375 2.162 20 30 CEEDLO Cc1nocc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000351795317 219207719 /nfs/dbraw/zinc/20/77/19/219207719.db2.gz LEPXXMJPGFGXBC-INIZCTEOSA-N 1 2 283.331 2.428 20 30 CEEDLO Cc1nocc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000351795317 219207722 /nfs/dbraw/zinc/20/77/22/219207722.db2.gz LEPXXMJPGFGXBC-INIZCTEOSA-N 1 2 283.331 2.428 20 30 CEEDLO C=C(C)C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(=O)OC ZINC000602731495 347176310 /nfs/dbraw/zinc/17/63/10/347176310.db2.gz KRWPTTYKAGJGSN-INIZCTEOSA-N 1 2 299.374 2.470 20 30 CEEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@H](OCC)C12CCC2)C(=O)OC ZINC000602733510 347176944 /nfs/dbraw/zinc/17/69/44/347176944.db2.gz IPVCRAWAFFWBCE-MJBXVCDLSA-N 1 2 281.396 2.432 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000602850001 347224531 /nfs/dbraw/zinc/22/45/31/347224531.db2.gz TXLRRTXJIKHDJP-IJLUTSLNSA-N 1 2 289.354 2.137 20 30 CEEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000602850001 347224532 /nfs/dbraw/zinc/22/45/32/347224532.db2.gz TXLRRTXJIKHDJP-IJLUTSLNSA-N 1 2 289.354 2.137 20 30 CEEDLO CCc1nc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602857779 347227128 /nfs/dbraw/zinc/22/71/28/347227128.db2.gz UXMZVJXMIQLATC-TXEJJXNPSA-N 1 2 278.425 2.124 20 30 CEEDLO CCc1nc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000602857779 347227130 /nfs/dbraw/zinc/22/71/30/347227130.db2.gz UXMZVJXMIQLATC-TXEJJXNPSA-N 1 2 278.425 2.124 20 30 CEEDLO C[C@@H]1C[NH+](Cc2nc3ccccc3o2)C[C@@H](C)N1CC#N ZINC000602857776 347227406 /nfs/dbraw/zinc/22/74/06/347227406.db2.gz UWYQZYGRPJRDBS-CHWSQXEVSA-N 1 2 284.363 2.246 20 30 CEEDLO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602859756 347227866 /nfs/dbraw/zinc/22/78/66/347227866.db2.gz ALONPSXNVNHPGW-GFCCVEGCSA-N 1 2 259.353 2.388 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCCC1=CCCCC1 ZINC000602860555 347228016 /nfs/dbraw/zinc/22/80/16/347228016.db2.gz BZWBCXUIHSBBCR-CHWSQXEVSA-N 1 2 263.385 2.273 20 30 CEEDLO Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)C2CC2)cc1 ZINC000602859695 347228234 /nfs/dbraw/zinc/22/82/34/347228234.db2.gz ABWSZJHAONLBFD-SUMWQHHRSA-N 1 2 285.391 2.454 20 30 CEEDLO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)cc1F ZINC000602862929 347229747 /nfs/dbraw/zinc/22/97/47/347229747.db2.gz MYKPSBANJLLZMS-QWRGUYRKSA-N 1 2 263.316 2.353 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(CCC#N)c1ccccc1 ZINC000602867525 347231099 /nfs/dbraw/zinc/23/10/99/347231099.db2.gz DPCKDPHJUXWAFX-UONOGXRCSA-N 1 2 284.363 2.214 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000602868541 347231263 /nfs/dbraw/zinc/23/12/63/347231263.db2.gz JFZYBYDGMGQSDB-MRVPVSSYSA-N 1 2 292.339 2.266 20 30 CEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000602869935 347231988 /nfs/dbraw/zinc/23/19/88/347231988.db2.gz QVYAXHKBECMMRM-QMMMGPOBSA-N 1 2 269.707 2.309 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000602941217 347253286 /nfs/dbraw/zinc/25/32/86/347253286.db2.gz HKRQUTTUVHYNOT-UHFFFAOYSA-N 1 2 258.300 2.361 20 30 CEEDLO Cc1n[nH]cc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000602941217 347253287 /nfs/dbraw/zinc/25/32/87/347253287.db2.gz HKRQUTTUVHYNOT-UHFFFAOYSA-N 1 2 258.300 2.361 20 30 CEEDLO N#Cc1ccccc1NC1CC[NH+](Cc2csnn2)CC1 ZINC000602898571 347241119 /nfs/dbraw/zinc/24/11/19/347241119.db2.gz GQNBPYKHXHTLDX-UHFFFAOYSA-N 1 2 299.403 2.486 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905950 347243422 /nfs/dbraw/zinc/24/34/22/347243422.db2.gz WEMFRNWOHQGEHC-AWEZNQCLSA-N 1 2 278.327 2.128 20 30 CEEDLO CCc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)no1 ZINC000602911373 347244396 /nfs/dbraw/zinc/24/43/96/347244396.db2.gz YSIXYIXHFLVPNW-UHFFFAOYSA-N 1 2 297.362 2.278 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974270 347260439 /nfs/dbraw/zinc/26/04/39/347260439.db2.gz LSLOBWCXHWBNDW-KGLIPLIRSA-N 1 2 263.385 2.035 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602974270 347260440 /nfs/dbraw/zinc/26/04/40/347260440.db2.gz LSLOBWCXHWBNDW-KGLIPLIRSA-N 1 2 263.385 2.035 20 30 CEEDLO C[N@H+](CC(=O)N1CCCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602973493 347260611 /nfs/dbraw/zinc/26/06/11/347260611.db2.gz AVGSWZHLGAMVKO-KGLIPLIRSA-N 1 2 263.385 2.013 20 30 CEEDLO C[N@@H+](CC(=O)N1CCCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602973493 347260613 /nfs/dbraw/zinc/26/06/13/347260613.db2.gz AVGSWZHLGAMVKO-KGLIPLIRSA-N 1 2 263.385 2.013 20 30 CEEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[C@H]1C#N ZINC000602976663 347262175 /nfs/dbraw/zinc/26/21/75/347262175.db2.gz RFKLMVUISSQAOU-BFHYXJOUSA-N 1 2 272.348 2.450 20 30 CEEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[C@H]1C#N ZINC000602976663 347262177 /nfs/dbraw/zinc/26/21/77/347262177.db2.gz RFKLMVUISSQAOU-BFHYXJOUSA-N 1 2 272.348 2.450 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602978570 347262869 /nfs/dbraw/zinc/26/28/69/347262869.db2.gz SKWHPGLJYMTOOY-JKSUJKDBSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602978570 347262871 /nfs/dbraw/zinc/26/28/71/347262871.db2.gz SKWHPGLJYMTOOY-JKSUJKDBSA-N 1 2 285.391 2.235 20 30 CEEDLO CCc1[nH+]c(C(C)C)ccc1Cn1cc(C#N)nn1 ZINC000603333610 347341102 /nfs/dbraw/zinc/34/11/02/347341102.db2.gz HXEHAUPXYLQCKU-UHFFFAOYSA-N 1 2 255.325 2.279 20 30 CEEDLO Cc1cc(NCc2cc(=O)[nH]c(C3CCC3)n2)c(C#N)c[nH+]1 ZINC000603415113 347364432 /nfs/dbraw/zinc/36/44/32/347364432.db2.gz FRVQWFFHYIGORT-UHFFFAOYSA-N 1 2 295.346 2.059 20 30 CEEDLO CC[N@H+](CCC(F)(F)F)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000604525343 347419345 /nfs/dbraw/zinc/41/93/45/347419345.db2.gz QQZKKMMNRWAYHM-LBPRGKRZSA-N 1 2 293.333 2.315 20 30 CEEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000604525343 347419348 /nfs/dbraw/zinc/41/93/48/347419348.db2.gz QQZKKMMNRWAYHM-LBPRGKRZSA-N 1 2 293.333 2.315 20 30 CEEDLO C#CC[N@H+](CC(=O)N(C)CC1CC1)Cc1ccc(F)cc1 ZINC000065958066 362847960 /nfs/dbraw/zinc/84/79/60/362847960.db2.gz PUSPUNUCUQWWKE-UHFFFAOYSA-N 1 2 288.366 2.129 20 30 CEEDLO N#Cc1ccc(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609130900 347626823 /nfs/dbraw/zinc/62/68/23/347626823.db2.gz BELOQRMZGAEIFN-MRXNPFEDSA-N 1 2 294.358 2.161 20 30 CEEDLO C#CC[N@@H+](CC(=O)N(C)CC1CC1)Cc1ccc(F)cc1 ZINC000065958066 362847959 /nfs/dbraw/zinc/84/79/59/362847959.db2.gz PUSPUNUCUQWWKE-UHFFFAOYSA-N 1 2 288.366 2.129 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C#N)cc1F ZINC000609574606 347643881 /nfs/dbraw/zinc/64/38/81/347643881.db2.gz BRQMLCWHJYTUQF-LBPRGKRZSA-N 1 2 256.284 2.231 20 30 CEEDLO N#CCC[N@H+](CC1CC1)C[C@H]1COc2ccccc2O1 ZINC000610511687 347687142 /nfs/dbraw/zinc/68/71/42/347687142.db2.gz HAARDERAZWSYGP-AWEZNQCLSA-N 1 2 272.348 2.452 20 30 CEEDLO N#CCC[N@@H+](CC1CC1)C[C@H]1COc2ccccc2O1 ZINC000610511687 347687143 /nfs/dbraw/zinc/68/71/43/347687143.db2.gz HAARDERAZWSYGP-AWEZNQCLSA-N 1 2 272.348 2.452 20 30 CEEDLO Cn1cc(CCC[N@H+](CCC#N)Cc2ccccn2)cn1 ZINC000610538455 347690307 /nfs/dbraw/zinc/69/03/07/347690307.db2.gz TUEBHGDRDAVMPC-UHFFFAOYSA-N 1 2 283.379 2.164 20 30 CEEDLO Cn1cc(CCC[N@@H+](CCC#N)Cc2ccccn2)cn1 ZINC000610538455 347690310 /nfs/dbraw/zinc/69/03/10/347690310.db2.gz TUEBHGDRDAVMPC-UHFFFAOYSA-N 1 2 283.379 2.164 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610762709 347711897 /nfs/dbraw/zinc/71/18/97/347711897.db2.gz OCHFGNWKUXTCHL-KFWWJZLASA-N 1 2 270.332 2.257 20 30 CEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610762709 347711900 /nfs/dbraw/zinc/71/19/00/347711900.db2.gz OCHFGNWKUXTCHL-KFWWJZLASA-N 1 2 270.332 2.257 20 30 CEEDLO Cc1ccc(C#N)c(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000611227401 347754286 /nfs/dbraw/zinc/75/42/86/347754286.db2.gz GGOLKHCENCQMIE-CQSZACIVSA-N 1 2 267.336 2.300 20 30 CEEDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1F ZINC000611502224 347786327 /nfs/dbraw/zinc/78/63/27/347786327.db2.gz PPOYQMBBMJKTRI-SMDDNHRTSA-N 1 2 275.327 2.177 20 30 CEEDLO 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ZINC000090009297 364034464 /nfs/dbraw/zinc/03/44/64/364034464.db2.gz MYGFZWDGSVFZDQ-HNNXBMFYSA-N 1 2 272.348 2.178 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000158055004 366852698 /nfs/dbraw/zinc/85/26/98/366852698.db2.gz HKHLDYFZASLJSB-UHFFFAOYSA-N 1 2 299.827 2.398 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCC#N)C1 ZINC000158598990 366858343 /nfs/dbraw/zinc/85/83/43/366858343.db2.gz MJEZCCLNPAIMOJ-LSDHHAIUSA-N 1 2 272.348 2.179 20 30 CEEDLO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CCC#N)C1 ZINC000158598990 366858346 /nfs/dbraw/zinc/85/83/46/366858346.db2.gz MJEZCCLNPAIMOJ-LSDHHAIUSA-N 1 2 272.348 2.179 20 30 CEEDLO Cc1noc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000105791966 364703123 /nfs/dbraw/zinc/70/31/23/364703123.db2.gz NVSPITJHCPAGNB-LBPRGKRZSA-N 1 2 297.362 2.133 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000111375952 364732808 /nfs/dbraw/zinc/73/28/08/364732808.db2.gz NYJIQFBMVJBUGY-VHSXEESVSA-N 1 2 267.398 2.047 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000112559888 364816663 /nfs/dbraw/zinc/81/66/63/364816663.db2.gz BQHBWVIUXWYXBW-QWHCGFSZSA-N 1 2 273.340 2.001 20 30 CEEDLO Cc1noc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000112559888 364816668 /nfs/dbraw/zinc/81/66/68/364816668.db2.gz BQHBWVIUXWYXBW-QWHCGFSZSA-N 1 2 273.340 2.001 20 30 CEEDLO C[C@H]1SCC[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000118413168 365156182 /nfs/dbraw/zinc/15/61/82/365156182.db2.gz JQCFYFWFVKCZIJ-NWDGAFQWSA-N 1 2 289.404 2.323 20 30 CEEDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000118413168 365156185 /nfs/dbraw/zinc/15/61/85/365156185.db2.gz JQCFYFWFVKCZIJ-NWDGAFQWSA-N 1 2 289.404 2.323 20 30 CEEDLO C=CCOc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000120237015 365393985 /nfs/dbraw/zinc/39/39/85/365393985.db2.gz PYLNIHUNVFSSAI-UHFFFAOYSA-N 1 2 272.308 2.296 20 30 CEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000120613736 365450631 /nfs/dbraw/zinc/45/06/31/365450631.db2.gz MGJGJWYGNJPLPJ-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000120613736 365450640 /nfs/dbraw/zinc/45/06/40/365450640.db2.gz MGJGJWYGNJPLPJ-AWEZNQCLSA-N 1 2 260.337 2.178 20 30 CEEDLO CC#CC[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000160049400 366968467 /nfs/dbraw/zinc/96/84/67/366968467.db2.gz ZSLMTSJXBQGQGO-NSHDSACASA-N 1 2 271.320 2.419 20 30 CEEDLO CC[N@H+](Cc1ccccn1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000161176057 367065131 /nfs/dbraw/zinc/06/51/31/367065131.db2.gz UVKGFHHOOSEJME-MRXNPFEDSA-N 1 2 294.358 2.002 20 30 CEEDLO CC[N@@H+](Cc1ccccn1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000161176057 367065134 /nfs/dbraw/zinc/06/51/34/367065134.db2.gz UVKGFHHOOSEJME-MRXNPFEDSA-N 1 2 294.358 2.002 20 30 CEEDLO C=CCN(C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C1CC1 ZINC000583610097 367071781 /nfs/dbraw/zinc/07/17/81/367071781.db2.gz JVYKSYNEPDHNDL-ZYHUDNBSSA-N 1 2 260.341 2.249 20 30 CEEDLO Cn1cc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000162259183 367147543 /nfs/dbraw/zinc/14/75/43/367147543.db2.gz HAKYLNXSYRCXOW-UHFFFAOYSA-N 1 2 271.324 2.110 20 30 CEEDLO COC(=O)c1cnoc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000586768772 367188012 /nfs/dbraw/zinc/18/80/12/367188012.db2.gz GSBPOBBUAHKCIW-SNVBAGLBSA-N 1 2 285.303 2.184 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000602865110 367217342 /nfs/dbraw/zinc/21/73/42/367217342.db2.gz SYVPVICNXOABRV-LLVKDONJSA-N 1 2 275.377 2.017 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000167186680 367337556 /nfs/dbraw/zinc/33/75/56/367337556.db2.gz GFQRORMFJXGBAL-UHFFFAOYSA-N 1 2 285.307 2.189 20 30 CEEDLO C=CCCN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000342392440 367405723 /nfs/dbraw/zinc/40/57/23/367405723.db2.gz UPEBAUKDHYCRAB-UHFFFAOYSA-N 1 2 262.357 2.101 20 30 CEEDLO CN(CCCn1cc[nH+]c1)c1nccc(C#N)c1Cl ZINC000342657116 367471200 /nfs/dbraw/zinc/47/12/00/367471200.db2.gz GGJQKBSOSKRPJM-UHFFFAOYSA-N 1 2 275.743 2.330 20 30 CEEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000342709087 367493428 /nfs/dbraw/zinc/49/34/28/367493428.db2.gz WWXRLBWZTPCHBH-OLZOCXBDSA-N 1 2 264.373 2.316 20 30 CEEDLO C[C@@H](CC(=O)N1CCc2ccc(C#N)cc21)n1cc[nH+]c1 ZINC000572487110 299372722 /nfs/dbraw/zinc/37/27/22/299372722.db2.gz WVQDFKOPTWAKTA-LBPRGKRZSA-N 1 2 280.331 2.295 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000574170741 334998272 /nfs/dbraw/zinc/99/82/72/334998272.db2.gz RTTPBRSKBCFONZ-HOCLYGCPSA-N 1 2 285.391 2.462 20 30 CEEDLO C[N@H+](C[C@H]1COc2ccccc2O1)CC1(C#N)CC1 ZINC000343234994 367717390 /nfs/dbraw/zinc/71/73/90/367717390.db2.gz DFBQRCPEFJSTGF-LBPRGKRZSA-N 1 2 258.321 2.062 20 30 CEEDLO C[N@@H+](C[C@H]1COc2ccccc2O1)CC1(C#N)CC1 ZINC000343234994 367717396 /nfs/dbraw/zinc/71/73/96/367717396.db2.gz DFBQRCPEFJSTGF-LBPRGKRZSA-N 1 2 258.321 2.062 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000358074561 370893653 /nfs/dbraw/zinc/89/36/53/370893653.db2.gz FAVBHJDDXVCIOC-LSDHHAIUSA-N 1 2 271.364 2.069 20 30 CEEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000358074561 370893656 /nfs/dbraw/zinc/89/36/56/370893656.db2.gz FAVBHJDDXVCIOC-LSDHHAIUSA-N 1 2 271.364 2.069 20 30 CEEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343554682 367882016 /nfs/dbraw/zinc/88/20/16/367882016.db2.gz QWVLLQJKCBZAJU-VLXJIEOASA-N 1 2 276.405 2.094 20 30 CEEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343554682 367882019 /nfs/dbraw/zinc/88/20/19/367882019.db2.gz QWVLLQJKCBZAJU-VLXJIEOASA-N 1 2 276.405 2.094 20 30 CEEDLO CSCCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000174130389 367988132 /nfs/dbraw/zinc/98/81/32/367988132.db2.gz HRPHRYHSJODCRZ-UHFFFAOYSA-N 1 2 260.309 2.355 20 30 CEEDLO CC(C)COC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000181423534 368453015 /nfs/dbraw/zinc/45/30/15/368453015.db2.gz KEXYQNWWDXWDTD-UHFFFAOYSA-N 1 2 260.337 2.189 20 30 CEEDLO CC(C)COC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000181423534 368453020 /nfs/dbraw/zinc/45/30/20/368453020.db2.gz KEXYQNWWDXWDTD-UHFFFAOYSA-N 1 2 260.337 2.189 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1F ZINC000336399470 213256955 /nfs/dbraw/zinc/25/69/55/213256955.db2.gz XTTRPZOEZXSNMW-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1F ZINC000336399470 213256959 /nfs/dbraw/zinc/25/69/59/213256959.db2.gz XTTRPZOEZXSNMW-LBPRGKRZSA-N 1 2 284.281 2.147 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183983269 368661534 /nfs/dbraw/zinc/66/15/34/368661534.db2.gz YMDIZUCOBGALDH-KRWDZBQOSA-N 1 2 299.349 2.202 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000330611267 203036409 /nfs/dbraw/zinc/03/64/09/203036409.db2.gz PSSZPCNVNHGVAL-AWEZNQCLSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000330611267 203036413 /nfs/dbraw/zinc/03/64/13/203036413.db2.gz PSSZPCNVNHGVAL-AWEZNQCLSA-N 1 2 289.354 2.188 20 30 CEEDLO CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000347945948 368835436 /nfs/dbraw/zinc/83/54/36/368835436.db2.gz FCPZBDUASCBCCX-CQSZACIVSA-N 1 2 282.347 2.481 20 30 CEEDLO CC#CCCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000185847748 368872700 /nfs/dbraw/zinc/87/27/00/368872700.db2.gz WEVJAGBVJWJJRV-HUUCEWRRSA-N 1 2 273.380 2.486 20 30 CEEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000348245063 368967792 /nfs/dbraw/zinc/96/77/92/368967792.db2.gz OKBUKKYPFVYRRS-MLGOLLRUSA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000348245063 368967798 /nfs/dbraw/zinc/96/77/98/368967798.db2.gz OKBUKKYPFVYRRS-MLGOLLRUSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000186678557 369017900 /nfs/dbraw/zinc/01/79/00/369017900.db2.gz QVJSRVFHKAWQAX-UHFFFAOYSA-N 1 2 291.782 2.299 20 30 CEEDLO CC[N@H+](CCC#N)CCc1nc2ccccc2c(=O)[nH]1 ZINC000348568677 369092900 /nfs/dbraw/zinc/09/29/00/369092900.db2.gz CNJKGVKPBSTMPS-UHFFFAOYSA-N 1 2 270.336 2.113 20 30 CEEDLO CC[N@@H+](CCC#N)CCc1nc2ccccc2c(=O)[nH]1 ZINC000348568677 369092907 /nfs/dbraw/zinc/09/29/07/369092907.db2.gz CNJKGVKPBSTMPS-UHFFFAOYSA-N 1 2 270.336 2.113 20 30 CEEDLO C=CCCN(C)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635840140 369369748 /nfs/dbraw/zinc/36/97/48/369369748.db2.gz PTEGMSUTRVIDRO-SNVBAGLBSA-N 1 2 275.274 2.411 20 30 CEEDLO Cc1ccc[nH+]c1CCc1noc([C@]2(C#N)C[C@@H]2C)n1 ZINC000351132949 369609926 /nfs/dbraw/zinc/60/99/26/369609926.db2.gz QGYZBEBWGDDRGQ-NHYWBVRUSA-N 1 2 268.320 2.359 20 30 CEEDLO C=CC[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000636934997 369771060 /nfs/dbraw/zinc/77/10/60/369771060.db2.gz SAMVTXZYGHNVER-CYBMUJFWSA-N 1 2 284.363 2.442 20 30 CEEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(Cl)cc1C#N ZINC000352635087 369814247 /nfs/dbraw/zinc/81/42/47/369814247.db2.gz BVSCUIOJKLWPHD-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(Cl)cc1C#N ZINC000352635087 369814251 /nfs/dbraw/zinc/81/42/51/369814251.db2.gz BVSCUIOJKLWPHD-NSHDSACASA-N 1 2 279.771 2.344 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000352648846 369819937 /nfs/dbraw/zinc/81/99/37/369819937.db2.gz VSNDBRXKEVUCOK-UHFFFAOYSA-N 1 2 254.293 2.161 20 30 CEEDLO Cc1ccc(C#N)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000352648846 369819942 /nfs/dbraw/zinc/81/99/42/369819942.db2.gz VSNDBRXKEVUCOK-UHFFFAOYSA-N 1 2 254.293 2.161 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000192238560 369783980 /nfs/dbraw/zinc/78/39/80/369783980.db2.gz IOTVCQVEHNBUFZ-UHFFFAOYSA-N 1 2 250.367 2.177 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000192238560 369783985 /nfs/dbraw/zinc/78/39/85/369783985.db2.gz IOTVCQVEHNBUFZ-UHFFFAOYSA-N 1 2 250.367 2.177 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000192237942 369784290 /nfs/dbraw/zinc/78/42/90/369784290.db2.gz OXEBRWFSVZCMNY-LLVKDONJSA-N 1 2 262.378 2.301 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000192237942 369784292 /nfs/dbraw/zinc/78/42/92/369784292.db2.gz OXEBRWFSVZCMNY-LLVKDONJSA-N 1 2 262.378 2.301 20 30 CEEDLO C[NH+](C)[C@H](CNCc1nc(C#N)cs1)c1ccsc1 ZINC000352852814 369914459 /nfs/dbraw/zinc/91/44/59/369914459.db2.gz KLSPGWVBOYPKMJ-GFCCVEGCSA-N 1 2 292.433 2.469 20 30 CEEDLO Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000194964255 370090249 /nfs/dbraw/zinc/09/02/49/370090249.db2.gz HBQPBKHCVNQJGR-UHFFFAOYSA-N 1 2 268.320 2.414 20 30 CEEDLO Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000194964255 370090253 /nfs/dbraw/zinc/09/02/53/370090253.db2.gz HBQPBKHCVNQJGR-UHFFFAOYSA-N 1 2 268.320 2.414 20 30 CEEDLO C[C@H]1C[N@H+](C)CCN1c1ccc(C#N)cc1Br ZINC000227537795 370372606 /nfs/dbraw/zinc/37/26/06/370372606.db2.gz KNVYQIPRABXQHY-JTQLQIEISA-N 1 2 294.196 2.461 20 30 CEEDLO C[C@H]1C[N@@H+](C)CCN1c1ccc(C#N)cc1Br ZINC000227537795 370372610 /nfs/dbraw/zinc/37/26/10/370372610.db2.gz KNVYQIPRABXQHY-JTQLQIEISA-N 1 2 294.196 2.461 20 30 CEEDLO C#CC[N@@H+](CN1C[C@H](C)CC1=O)[C@H]1CCc2ccccc21 ZINC000247464206 371112250 /nfs/dbraw/zinc/11/22/50/371112250.db2.gz RCEPWGBXNLTHRX-PBHICJAKSA-N 1 2 282.387 2.435 20 30 CEEDLO C#CC[N@H+](CN1C[C@H](C)CC1=O)[C@H]1CCc2ccccc21 ZINC000247464206 371112254 /nfs/dbraw/zinc/11/22/54/371112254.db2.gz RCEPWGBXNLTHRX-PBHICJAKSA-N 1 2 282.387 2.435 20 30 CEEDLO COCc1ncc2c(n1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000639915417 371665100 /nfs/dbraw/zinc/66/51/00/371665100.db2.gz ZFDGOJOHEQRAEA-UHFFFAOYSA-N 1 2 293.370 2.033 20 30 CEEDLO COCc1ncc2c(n1)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000639915417 371665108 /nfs/dbraw/zinc/66/51/08/371665108.db2.gz ZFDGOJOHEQRAEA-UHFFFAOYSA-N 1 2 293.370 2.033 20 30 CEEDLO COCC#CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000683801179 541862127 /nfs/dbraw/zinc/86/21/27/541862127.db2.gz CRVNWJAMSHQMPY-QMMMGPOBSA-N 1 2 278.299 2.462 20 30 CEEDLO CC(C)[C@H](C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264790267 372003904 /nfs/dbraw/zinc/00/39/04/372003904.db2.gz RNPUBLOUOXBHHC-HNNXBMFYSA-N 1 2 282.347 2.209 20 30 CEEDLO CC(C)N1C(=O)C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000361833727 372091268 /nfs/dbraw/zinc/09/12/68/372091268.db2.gz PPELFUCSYBNANO-UHFFFAOYSA-N 1 2 284.403 2.369 20 30 CEEDLO CC(C)N1C(=O)C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000361833727 372091271 /nfs/dbraw/zinc/09/12/71/372091271.db2.gz PPELFUCSYBNANO-UHFFFAOYSA-N 1 2 284.403 2.369 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@H]2C=CCCCCC2)nn1 ZINC000641075006 372282421 /nfs/dbraw/zinc/28/24/21/372282421.db2.gz AHPWSHQLWWLZGC-HNNXBMFYSA-N 1 2 258.369 2.452 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCCCC(F)(F)F)nn1 ZINC000641122340 372325667 /nfs/dbraw/zinc/32/56/67/372325667.db2.gz YAKVZYVWMHDGTO-UHFFFAOYSA-N 1 2 274.290 2.124 20 30 CEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000683883374 541876771 /nfs/dbraw/zinc/87/67/71/541876771.db2.gz BPOXLZVLAXNJTQ-CHWSQXEVSA-N 1 2 259.353 2.013 20 30 CEEDLO C#CCC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000270528347 372827392 /nfs/dbraw/zinc/82/73/92/372827392.db2.gz DYKKHKJFQSBXNM-UHFFFAOYSA-N 1 2 276.767 2.008 20 30 CEEDLO C#CCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000270528347 372827399 /nfs/dbraw/zinc/82/73/99/372827399.db2.gz DYKKHKJFQSBXNM-UHFFFAOYSA-N 1 2 276.767 2.008 20 30 CEEDLO C#CC[N@@H+](CC)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270592240 372859116 /nfs/dbraw/zinc/85/91/16/372859116.db2.gz KKFIIYDPNZIHTR-UHFFFAOYSA-N 1 2 275.377 2.469 20 30 CEEDLO C#CC[N@H+](CC)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000270592240 372859120 /nfs/dbraw/zinc/85/91/20/372859120.db2.gz KKFIIYDPNZIHTR-UHFFFAOYSA-N 1 2 275.377 2.469 20 30 CEEDLO N#Cc1ccc(C[NH+]2CCN(CC3=CCCOC3)CC2)cc1 ZINC000271028273 373077673 /nfs/dbraw/zinc/07/76/73/373077673.db2.gz GASBQONYOVMSLP-UHFFFAOYSA-N 1 2 297.402 2.023 20 30 CEEDLO C#CCCC[NH2+][C@@](CC)(C(=O)OC)c1ccccc1 ZINC000271049506 373089916 /nfs/dbraw/zinc/08/99/16/373089916.db2.gz PHHIISUANYZGLC-MRXNPFEDSA-N 1 2 259.349 2.468 20 30 CEEDLO C=CCOc1cccc(C[N@H+]2CC[C@@](F)(C(=O)OC)C2)c1 ZINC000271188602 373172172 /nfs/dbraw/zinc/17/21/72/373172172.db2.gz FKBMHMQVIRVYGZ-INIZCTEOSA-N 1 2 293.338 2.338 20 30 CEEDLO C=CCOc1cccc(C[N@@H+]2CC[C@@](F)(C(=O)OC)C2)c1 ZINC000271188602 373172182 /nfs/dbraw/zinc/17/21/82/373172182.db2.gz FKBMHMQVIRVYGZ-INIZCTEOSA-N 1 2 293.338 2.338 20 30 CEEDLO CC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C[C@@H](C)C#N ZINC000098134540 284383105 /nfs/dbraw/zinc/38/31/05/284383105.db2.gz CTCHVPXHCZEBNU-STQMWFEESA-N 1 2 277.412 2.257 20 30 CEEDLO CC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C[C@@H](C)C#N ZINC000098134540 284383109 /nfs/dbraw/zinc/38/31/09/284383109.db2.gz CTCHVPXHCZEBNU-STQMWFEESA-N 1 2 277.412 2.257 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369867702 373526907 /nfs/dbraw/zinc/52/69/07/373526907.db2.gz LHVCSGQHFCYPGN-HUUCEWRRSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369867702 373526912 /nfs/dbraw/zinc/52/69/12/373526912.db2.gz LHVCSGQHFCYPGN-HUUCEWRRSA-N 1 2 260.312 2.451 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CC1 ZINC000274010977 373779760 /nfs/dbraw/zinc/77/97/60/373779760.db2.gz AOXCZNOYZAGGKG-UHFFFAOYSA-N 1 2 294.301 2.324 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CC1 ZINC000274010977 373779766 /nfs/dbraw/zinc/77/97/66/373779766.db2.gz AOXCZNOYZAGGKG-UHFFFAOYSA-N 1 2 294.301 2.324 20 30 CEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1CC)C1CC1 ZINC000274015628 373781567 /nfs/dbraw/zinc/78/15/67/373781567.db2.gz BFSSNQMFUOFXSY-UHFFFAOYSA-N 1 2 256.349 2.285 20 30 CEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1CC)C1CC1 ZINC000274015628 373781571 /nfs/dbraw/zinc/78/15/71/373781571.db2.gz BFSSNQMFUOFXSY-UHFFFAOYSA-N 1 2 256.349 2.285 20 30 CEEDLO CCOC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000371398379 373868395 /nfs/dbraw/zinc/86/83/95/373868395.db2.gz MKDDMOORQXWIBR-AWEZNQCLSA-N 1 2 276.336 2.459 20 30 CEEDLO CCOC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000371398379 373868398 /nfs/dbraw/zinc/86/83/98/373868398.db2.gz MKDDMOORQXWIBR-AWEZNQCLSA-N 1 2 276.336 2.459 20 30 CEEDLO Cc1cccc(CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[nH+]1 ZINC000343113835 220248057 /nfs/dbraw/zinc/24/80/57/220248057.db2.gz ZLNNDHRJFVWMMR-UHFFFAOYSA-N 1 2 297.318 2.407 20 30 CEEDLO C#CCOc1ccccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000274810465 374059007 /nfs/dbraw/zinc/05/90/07/374059007.db2.gz BOXIAYMXJXKUND-UHFFFAOYSA-N 1 2 298.346 2.096 20 30 CEEDLO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nncn1C ZINC000275219316 374189537 /nfs/dbraw/zinc/18/95/37/374189537.db2.gz UDGKJCMUEJKAST-LLVKDONJSA-N 1 2 274.755 2.171 20 30 CEEDLO N#Cc1ccc(Cl)cc1NCC1([NH+]2CCOCC2)CC1 ZINC000277283588 374463601 /nfs/dbraw/zinc/46/36/01/374463601.db2.gz AHRYGPHTDZZMCV-UHFFFAOYSA-N 1 2 291.782 2.488 20 30 CEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC[S@](=O)C1 ZINC000277339988 374483722 /nfs/dbraw/zinc/48/37/22/374483722.db2.gz FJESRWBJDNLYKV-DJJJIMSYSA-N 1 2 295.835 2.392 20 30 CEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[S@](=O)C1 ZINC000277339988 374483726 /nfs/dbraw/zinc/48/37/26/374483726.db2.gz FJESRWBJDNLYKV-DJJJIMSYSA-N 1 2 295.835 2.392 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375636256 374667470 /nfs/dbraw/zinc/66/74/70/374667470.db2.gz KNYPYOKDCLUKLZ-OAHLLOKOSA-N 1 2 290.411 2.361 20 30 CEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375636256 374667473 /nfs/dbraw/zinc/66/74/73/374667473.db2.gz KNYPYOKDCLUKLZ-OAHLLOKOSA-N 1 2 290.411 2.361 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2scnc2C)n1 ZINC000279389843 374857987 /nfs/dbraw/zinc/85/79/87/374857987.db2.gz LJLVXUHRLQIQOH-UHFFFAOYSA-N 1 2 274.393 2.303 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2scnc2C)n1 ZINC000279389843 374857995 /nfs/dbraw/zinc/85/79/95/374857995.db2.gz LJLVXUHRLQIQOH-UHFFFAOYSA-N 1 2 274.393 2.303 20 30 CEEDLO Cc1cn2c([nH+]1)[C@H](CNc1cccnc1C#N)CCC2 ZINC000377969560 374989794 /nfs/dbraw/zinc/98/97/94/374989794.db2.gz JUVLCFKZQAVJID-LBPRGKRZSA-N 1 2 267.336 2.448 20 30 CEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ncccc2C)n1 ZINC000279818533 374999925 /nfs/dbraw/zinc/99/99/25/374999925.db2.gz YKVLJUGGOJQITO-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ncccc2C)n1 ZINC000279818533 374999928 /nfs/dbraw/zinc/99/99/28/374999928.db2.gz YKVLJUGGOJQITO-UHFFFAOYSA-N 1 2 268.364 2.242 20 30 CEEDLO C#CCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280474909 375213025 /nfs/dbraw/zinc/21/30/25/375213025.db2.gz PFOPRQXHTNLJCV-LLVKDONJSA-N 1 2 278.377 2.398 20 30 CEEDLO C#CCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280474909 375213035 /nfs/dbraw/zinc/21/30/35/375213035.db2.gz PFOPRQXHTNLJCV-LLVKDONJSA-N 1 2 278.377 2.398 20 30 CEEDLO C=CCCO[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280835080 375337480 /nfs/dbraw/zinc/33/74/80/375337480.db2.gz USLQWDDSHRJFIX-NSHDSACASA-N 1 2 259.309 2.254 20 30 CEEDLO C#C[C@H](NC(=O)NCc1cn2cc(C)ccc2[nH+]1)C(C)C ZINC000280978842 375348755 /nfs/dbraw/zinc/34/87/55/375348755.db2.gz BCGJJWOAYBAZEI-AWEZNQCLSA-N 1 2 284.363 2.100 20 30 CEEDLO C=CCCS(=O)(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281378947 375376109 /nfs/dbraw/zinc/37/61/09/375376109.db2.gz GNMJFYMSLKQBMF-CYBMUJFWSA-N 1 2 297.424 2.336 20 30 CEEDLO C=C(C)CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000281431944 375379488 /nfs/dbraw/zinc/37/94/88/375379488.db2.gz BWTMAXCSCZLNDU-UHFFFAOYSA-N 1 2 279.290 2.315 20 30 CEEDLO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H](O)C(F)(F)F ZINC000305768262 376480661 /nfs/dbraw/zinc/48/06/61/376480661.db2.gz ILJDDCDXLPXLJB-NSHDSACASA-N 1 2 276.233 2.052 20 30 CEEDLO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H](O)C(F)(F)F ZINC000305768262 376480674 /nfs/dbraw/zinc/48/06/74/376480674.db2.gz ILJDDCDXLPXLJB-NSHDSACASA-N 1 2 276.233 2.052 20 30 CEEDLO C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000557047306 376534036 /nfs/dbraw/zinc/53/40/36/376534036.db2.gz INGGRYYEDDDOFI-LLVKDONJSA-N 1 2 298.346 2.316 20 30 CEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C(F)F)CC2)c1 ZINC000307884188 376573528 /nfs/dbraw/zinc/57/35/28/376573528.db2.gz ZKULLLIYZWYFHK-UHFFFAOYSA-N 1 2 293.317 2.474 20 30 CEEDLO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000420929027 376742911 /nfs/dbraw/zinc/74/29/11/376742911.db2.gz CVYGIGJVUFPUOJ-HNNXBMFYSA-N 1 2 293.794 2.163 20 30 CEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000420929027 376742921 /nfs/dbraw/zinc/74/29/21/376742921.db2.gz CVYGIGJVUFPUOJ-HNNXBMFYSA-N 1 2 293.794 2.163 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2CCCC2)C1 ZINC000328751239 376890887 /nfs/dbraw/zinc/89/08/87/376890887.db2.gz CJLDPSMOIWXQTM-CYBMUJFWSA-N 1 2 276.384 2.314 20 30 CEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000328777064 376894561 /nfs/dbraw/zinc/89/45/61/376894561.db2.gz LFTLNYRBFVRUSX-WDEREUQCSA-N 1 2 278.356 2.403 20 30 CEEDLO C[C@H](C[C@H]1CCCO1)NC(=O)CCc1c[nH+]cn1C ZINC000328836691 376908593 /nfs/dbraw/zinc/90/85/93/376908593.db2.gz MUDTXGSHWGATPC-DGCLKSJQSA-N 1 2 265.357 2.267 20 30 CEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H](C2CC2)C1 ZINC000328935445 376923159 /nfs/dbraw/zinc/92/31/59/376923159.db2.gz QJWJZPLSEUYXBY-UONOGXRCSA-N 1 2 288.395 2.406 20 30 CEEDLO Cc1cc(NC(=O)NC[C@@H]2CCCCS2)cc[nH+]1 ZINC000329405912 376959784 /nfs/dbraw/zinc/95/97/84/376959784.db2.gz BYJCNACPXHTYLJ-LBPRGKRZSA-N 1 2 265.382 2.424 20 30 CEEDLO Cc1cc(NC(=O)NC[C@H]2CCCCS2)cc[nH+]1 ZINC000329405911 376960197 /nfs/dbraw/zinc/96/01/97/376960197.db2.gz BYJCNACPXHTYLJ-GFCCVEGCSA-N 1 2 265.382 2.424 20 30 CEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC2(C1)CCCCC2 ZINC000330278680 377081426 /nfs/dbraw/zinc/08/14/26/377081426.db2.gz PYQCTGLFYDHBPY-CYBMUJFWSA-N 1 2 288.395 2.378 20 30 CEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC2(C1)CCCCC2 ZINC000330278680 377081434 /nfs/dbraw/zinc/08/14/34/377081434.db2.gz PYQCTGLFYDHBPY-CYBMUJFWSA-N 1 2 288.395 2.378 20 30 CEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000292698897 377261690 /nfs/dbraw/zinc/26/16/90/377261690.db2.gz HHOSMKXHVMBOQH-CYBMUJFWSA-N 1 2 273.380 2.379 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000564573693 377409786 /nfs/dbraw/zinc/40/97/86/377409786.db2.gz AMIHMFLLJQWBRK-NSHDSACASA-N 1 2 297.261 2.280 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000564573693 377409794 /nfs/dbraw/zinc/40/97/94/377409794.db2.gz AMIHMFLLJQWBRK-NSHDSACASA-N 1 2 297.261 2.280 20 30 CEEDLO C[C@@H](CCC(C)(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565661637 377684410 /nfs/dbraw/zinc/68/44/10/377684410.db2.gz QCUIVGQZQKAPQZ-SWLSCSKDSA-N 1 2 267.417 2.409 20 30 CEEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(Cl)c1 ZINC000565659568 377684662 /nfs/dbraw/zinc/68/46/62/377684662.db2.gz FCGFPGDNVIJRBF-XHDPSFHLSA-N 1 2 293.798 2.404 20 30 CEEDLO C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433297217 377785583 /nfs/dbraw/zinc/78/55/83/377785583.db2.gz KUBREJRHPRPITC-AWEZNQCLSA-N 1 2 287.407 2.215 20 30 CEEDLO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433297217 377785591 /nfs/dbraw/zinc/78/55/91/377785591.db2.gz KUBREJRHPRPITC-AWEZNQCLSA-N 1 2 287.407 2.215 20 30 CEEDLO COc1cc[nH+]c(Cn2nc(C#N)c3ccccc32)c1 ZINC000432484417 377769612 /nfs/dbraw/zinc/76/96/12/377769612.db2.gz FPIDIBDANLTJNF-UHFFFAOYSA-N 1 2 264.288 2.360 20 30 CEEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000435676153 377809211 /nfs/dbraw/zinc/80/92/11/377809211.db2.gz ZKBSZCAEKKGLRL-PMPSAXMXSA-N 1 2 289.375 2.472 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000435997245 377814333 /nfs/dbraw/zinc/81/43/33/377814333.db2.gz VYECJJIXMBUREM-QWHCGFSZSA-N 1 2 265.401 2.257 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000435997245 377814340 /nfs/dbraw/zinc/81/43/40/377814340.db2.gz VYECJJIXMBUREM-QWHCGFSZSA-N 1 2 265.401 2.257 20 30 CEEDLO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433305404 377787892 /nfs/dbraw/zinc/78/78/92/377787892.db2.gz PYAAVTGHHXQANN-GFCCVEGCSA-N 1 2 291.370 2.484 20 30 CEEDLO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000433305404 377787897 /nfs/dbraw/zinc/78/78/97/377787897.db2.gz PYAAVTGHHXQANN-GFCCVEGCSA-N 1 2 291.370 2.484 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000567583014 377845999 /nfs/dbraw/zinc/84/59/99/377845999.db2.gz LMJUFOAJOHDPIH-STQMWFEESA-N 1 2 274.368 2.080 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000567583014 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20 30 CEEDLO C=C(Cl)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000288908633 395067227 /nfs/dbraw/zinc/06/72/27/395067227.db2.gz TXRXOXCNWPTINR-UHFFFAOYSA-N 1 2 278.581 2.330 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000345525626 395068942 /nfs/dbraw/zinc/06/89/42/395068942.db2.gz SSTSOJMCZRNODA-QWHCGFSZSA-N 1 2 291.370 2.484 20 30 CEEDLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000345525626 395068947 /nfs/dbraw/zinc/06/89/47/395068947.db2.gz SSTSOJMCZRNODA-QWHCGFSZSA-N 1 2 291.370 2.484 20 30 CEEDLO C#CCCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374365488 395081894 /nfs/dbraw/zinc/08/18/94/395081894.db2.gz PAFKMPYIKIXWKI-OAHLLOKOSA-N 1 2 274.339 2.102 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)CCc1nc2ccccc2n1C ZINC000345954308 395083906 /nfs/dbraw/zinc/08/39/06/395083906.db2.gz NGBPJHVLSYFOTM-GFCCVEGCSA-N 1 2 256.353 2.350 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)CCc1nc2ccccc2n1C ZINC000345954308 395083910 /nfs/dbraw/zinc/08/39/10/395083910.db2.gz 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/nfs/dbraw/zinc/14/67/82/395146782.db2.gz UYBKQENKBLWDKH-GFCCVEGCSA-N 1 2 290.260 2.442 20 30 CEEDLO N#CC1(F)CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000348718218 395150072 /nfs/dbraw/zinc/15/00/72/395150072.db2.gz WKGJWKOROZAYBA-UHFFFAOYSA-N 1 2 252.264 2.359 20 30 CEEDLO CCn1c[nH+]cc1CNc1cc(C#N)ccc1OC ZINC000418003525 395164572 /nfs/dbraw/zinc/16/45/72/395164572.db2.gz YLKMHWZZBJERCZ-UHFFFAOYSA-N 1 2 256.309 2.395 20 30 CEEDLO COCC[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@@H]1C ZINC000428985516 395157549 /nfs/dbraw/zinc/15/75/49/395157549.db2.gz VNXXTSMOEVJCMM-WBMJQRKESA-N 1 2 292.354 2.323 20 30 CEEDLO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@@H]1C ZINC000428985516 395157553 /nfs/dbraw/zinc/15/75/53/395157553.db2.gz VNXXTSMOEVJCMM-WBMJQRKESA-N 1 2 292.354 2.323 20 30 CEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCc1ccc(C)cc1 ZINC000182929685 395249353 /nfs/dbraw/zinc/24/93/53/395249353.db2.gz QCWYDGHDJAKJDS-UHFFFAOYSA-N 1 2 291.395 2.131 20 30 CEEDLO N#Cc1ccc(CCC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000516712678 395183895 /nfs/dbraw/zinc/18/38/95/395183895.db2.gz WTQIWOKFLWPQFL-UHFFFAOYSA-N 1 2 296.374 2.284 20 30 CEEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cc2ccccc2o1 ZINC000519699897 395209917 /nfs/dbraw/zinc/20/99/17/395209917.db2.gz HSUSAHDBSIUGRN-SJKOYZFVSA-N 1 2 299.374 2.496 20 30 CEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000293194037 395223752 /nfs/dbraw/zinc/22/37/52/395223752.db2.gz QKHZTXIQTOETFI-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000293194037 395223758 /nfs/dbraw/zinc/22/37/58/395223758.db2.gz QKHZTXIQTOETFI-LBPRGKRZSA-N 1 2 272.348 2.171 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NCCNc1cccc[nH+]1 ZINC000439921920 395293543 /nfs/dbraw/zinc/29/35/43/395293543.db2.gz ASTFXOQPZMKYRB-UHFFFAOYSA-N 1 2 280.331 2.104 20 30 CEEDLO CCCN1CC[N@H+](Cc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000187853194 395306806 /nfs/dbraw/zinc/30/68/06/395306806.db2.gz SIQOLLREPGALEO-UHFFFAOYSA-N 1 2 285.391 2.391 20 30 CEEDLO CCCN1CC[N@@H+](Cc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000187853194 395306808 /nfs/dbraw/zinc/30/68/08/395306808.db2.gz SIQOLLREPGALEO-UHFFFAOYSA-N 1 2 285.391 2.391 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)OC)C1CC1 ZINC000411196529 395321366 /nfs/dbraw/zinc/32/13/66/395321366.db2.gz UZWONQRVBGNAJV-MRXNPFEDSA-N 1 2 284.359 2.498 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)OC)C1CC1 ZINC000411196529 395321374 /nfs/dbraw/zinc/32/13/74/395321374.db2.gz UZWONQRVBGNAJV-MRXNPFEDSA-N 1 2 284.359 2.498 20 30 CEEDLO N#CC1(c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)CC1 ZINC000183404459 395255778 /nfs/dbraw/zinc/25/57/78/395255778.db2.gz JTVFPEFIUBETMX-UHFFFAOYSA-N 1 2 294.358 2.258 20 30 CEEDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C#N)c1Cl)C1CC1 ZINC000521925220 395257161 /nfs/dbraw/zinc/25/71/61/395257161.db2.gz DMIQJCCMIOVLRS-LBPRGKRZSA-N 1 2 287.754 2.325 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)o1 ZINC000294114971 395265149 /nfs/dbraw/zinc/26/51/49/395265149.db2.gz SVYAOWZIPGZIKE-GJZGRUSLSA-N 1 2 258.321 2.295 20 30 CEEDLO N#Cc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)o1 ZINC000294114971 395265158 /nfs/dbraw/zinc/26/51/58/395265158.db2.gz SVYAOWZIPGZIKE-GJZGRUSLSA-N 1 2 258.321 2.295 20 30 CEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C(=O)OC)C1CC1 ZINC000352789279 395268909 /nfs/dbraw/zinc/26/89/09/395268909.db2.gz BOBOZZJUBAHLFO-HNNXBMFYSA-N 1 2 293.363 2.102 20 30 CEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C(=O)OC)C1CC1 ZINC000352789279 395268911 /nfs/dbraw/zinc/26/89/11/395268911.db2.gz BOBOZZJUBAHLFO-HNNXBMFYSA-N 1 2 293.363 2.102 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000352922464 395276669 /nfs/dbraw/zinc/27/66/69/395276669.db2.gz PDMVSFJGUYAUOF-OAHLLOKOSA-N 1 2 271.320 2.138 20 30 CEEDLO COc1cc(C[N@H+](C)Cc2ccon2)ccc1C#N ZINC000442882219 395397595 /nfs/dbraw/zinc/39/75/95/395397595.db2.gz QCCPPGWKUGWIMR-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO COc1cc(C[N@@H+](C)Cc2ccon2)ccc1C#N ZINC000442882219 395397599 /nfs/dbraw/zinc/39/75/99/395397599.db2.gz QCCPPGWKUGWIMR-UHFFFAOYSA-N 1 2 257.293 2.187 20 30 CEEDLO Cc1nnc([C@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)[nH]1 ZINC000565525375 395473902 /nfs/dbraw/zinc/47/39/02/395473902.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nnc([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)[nH]1 ZINC000565525375 395473904 /nfs/dbraw/zinc/47/39/04/395473904.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000565525375 395473906 /nfs/dbraw/zinc/47/39/06/395473906.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000565525375 395473910 /nfs/dbraw/zinc/47/39/10/395473910.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)n[nH]1 ZINC000565525375 395473913 /nfs/dbraw/zinc/47/39/13/395473913.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)n[nH]1 ZINC000565525375 395473917 /nfs/dbraw/zinc/47/39/17/395473917.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 1 2 285.326 2.113 20 30 CEEDLO CNc1[nH+]cnc2c1cnn2CCCC(C)(C)C#N ZINC000194425843 395436119 /nfs/dbraw/zinc/43/61/19/395436119.db2.gz GYEVNQTUTPUQBQ-UHFFFAOYSA-N 1 2 258.329 2.198 20 30 CEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568068633 395545808 /nfs/dbraw/zinc/54/58/08/395545808.db2.gz NWLFHJTYONNEHP-NSHDSACASA-N 1 2 298.346 2.100 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000450696821 395574573 /nfs/dbraw/zinc/57/45/73/395574573.db2.gz HBOFUNDUISEVEM-UHFFFAOYSA-N 1 2 258.325 2.448 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000450696821 395574574 /nfs/dbraw/zinc/57/45/74/395574574.db2.gz HBOFUNDUISEVEM-UHFFFAOYSA-N 1 2 258.325 2.448 20 30 CEEDLO Cc1cc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2[nH]1 ZINC000570676025 395583021 /nfs/dbraw/zinc/58/30/21/395583021.db2.gz GMROUXYSPBDCML-HNNXBMFYSA-N 1 2 286.379 2.095 20 30 CEEDLO Cc1cc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2[nH]1 ZINC000570676025 395583022 /nfs/dbraw/zinc/58/30/22/395583022.db2.gz GMROUXYSPBDCML-HNNXBMFYSA-N 1 2 286.379 2.095 20 30 CEEDLO Cc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1Cl ZINC000572232347 395585754 /nfs/dbraw/zinc/58/57/54/395585754.db2.gz URNHXHQYOAWTGP-AWEZNQCLSA-N 1 2 279.771 2.222 20 30 CEEDLO C[C@@H]1CC[N@H+](CCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583319642 395665281 /nfs/dbraw/zinc/66/52/81/395665281.db2.gz AAIPSQYDLASJCA-NEPJUHHUSA-N 1 2 252.358 2.200 20 30 CEEDLO C[C@@H]1CC[N@@H+](CCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000583319642 395665283 /nfs/dbraw/zinc/66/52/83/395665283.db2.gz AAIPSQYDLASJCA-NEPJUHHUSA-N 1 2 252.358 2.200 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1nnc(CCCCC)s1 ZINC000491466027 395669884 /nfs/dbraw/zinc/66/98/84/395669884.db2.gz YWMJTOBMQNBKIV-UHFFFAOYSA-N 1 2 294.424 2.164 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1nnc(CCCCC)s1 ZINC000491466027 395669885 /nfs/dbraw/zinc/66/98/85/395669885.db2.gz YWMJTOBMQNBKIV-UHFFFAOYSA-N 1 2 294.424 2.164 20 30 CEEDLO C=CCOc1ccccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646260488 396323533 /nfs/dbraw/zinc/32/35/33/396323533.db2.gz LUWSFDRHKMDZSL-UHFFFAOYSA-N 1 2 283.331 2.173 20 30 CEEDLO C=CCOc1ccccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646260488 396323535 /nfs/dbraw/zinc/32/35/35/396323535.db2.gz LUWSFDRHKMDZSL-UHFFFAOYSA-N 1 2 283.331 2.173 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1nc(Cl)cs1 ZINC000491682361 400594748 /nfs/dbraw/zinc/59/47/48/400594748.db2.gz RQZOLKQWOPZZGX-VIFPVBQESA-N 1 2 284.768 2.051 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nc(Cl)cs1 ZINC000491682361 400594751 /nfs/dbraw/zinc/59/47/51/400594751.db2.gz RQZOLKQWOPZZGX-VIFPVBQESA-N 1 2 284.768 2.051 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC2(CCOCC2)O1 ZINC000364007992 156061042 /nfs/dbraw/zinc/06/10/42/156061042.db2.gz NTORXBQIENCFBB-CQSZACIVSA-N 1 2 286.375 2.328 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC2(CCOCC2)O1 ZINC000364007992 156061045 /nfs/dbraw/zinc/06/10/45/156061045.db2.gz NTORXBQIENCFBB-CQSZACIVSA-N 1 2 286.375 2.328 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375954684 157165557 /nfs/dbraw/zinc/16/55/57/157165557.db2.gz NVJNJNGEUUGQLO-QHRIQVFBSA-N 1 2 276.405 2.320 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375954684 157165560 /nfs/dbraw/zinc/16/55/60/157165560.db2.gz NVJNJNGEUUGQLO-QHRIQVFBSA-N 1 2 276.405 2.320 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1cc(C#N)ccc1OC ZINC000183026881 165383629 /nfs/dbraw/zinc/38/36/29/165383629.db2.gz DYHFFINJKIROKY-UHFFFAOYSA-N 1 2 289.379 2.044 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1OC ZINC000183026881 165383632 /nfs/dbraw/zinc/38/36/32/165383632.db2.gz DYHFFINJKIROKY-UHFFFAOYSA-N 1 2 289.379 2.044 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)c(F)c2)nn1 ZINC000657297980 414839261 /nfs/dbraw/zinc/83/92/61/414839261.db2.gz MQGYRXWTTWHMPF-UHFFFAOYSA-N 1 2 290.342 2.292 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2oc(CCC)nc2C)nn1 ZINC000657473261 414958395 /nfs/dbraw/zinc/95/83/95/414958395.db2.gz HTLMDWPOSPYZCX-UHFFFAOYSA-N 1 2 289.383 2.393 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)[C@@H](C)COC ZINC000661243653 415155038 /nfs/dbraw/zinc/15/50/38/415155038.db2.gz LOZAKGOVXAHNCJ-NSHDSACASA-N 1 2 297.786 2.196 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)[C@@H](C)COC ZINC000661243653 415155043 /nfs/dbraw/zinc/15/50/43/415155043.db2.gz LOZAKGOVXAHNCJ-NSHDSACASA-N 1 2 297.786 2.196 20 30 CEEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H](C)COC ZINC000661247901 415157816 /nfs/dbraw/zinc/15/78/16/415157816.db2.gz QXMXBVFLYMOXSZ-NSHDSACASA-N 1 2 267.373 2.390 20 30 CEEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)no1)[C@@H](C)COC ZINC000661247901 415157821 /nfs/dbraw/zinc/15/78/21/415157821.db2.gz QXMXBVFLYMOXSZ-NSHDSACASA-N 1 2 267.373 2.390 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CCC)no1)[C@@H](C)COC ZINC000661248745 415158731 /nfs/dbraw/zinc/15/87/31/415158731.db2.gz WYHASBZBZAYOGY-NSHDSACASA-N 1 2 253.346 2.045 20 30 CEEDLO C=CC[N@H+](Cc1nc(CCC)no1)[C@@H](C)COC ZINC000661248745 415158733 /nfs/dbraw/zinc/15/87/33/415158733.db2.gz WYHASBZBZAYOGY-NSHDSACASA-N 1 2 253.346 2.045 20 30 CEEDLO C=CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000661565989 415330241 /nfs/dbraw/zinc/33/02/41/415330241.db2.gz VZLSKCZPTLTAFO-LLVKDONJSA-N 1 2 262.357 2.089 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)C1=O ZINC000664822403 415487864 /nfs/dbraw/zinc/48/78/64/415487864.db2.gz IKFCGNYKQDSWHC-GJZGRUSLSA-N 1 2 285.391 2.251 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC(C)(C)[C@@H]2c2cccnc2)C1=O ZINC000664822403 415487870 /nfs/dbraw/zinc/48/78/70/415487870.db2.gz IKFCGNYKQDSWHC-GJZGRUSLSA-N 1 2 285.391 2.251 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656156380 415617170 /nfs/dbraw/zinc/61/71/70/415617170.db2.gz WQLZQLWBEMTDDJ-ZDUSSCGKSA-N 1 2 262.357 2.196 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1ncc(Br)cc1Cl ZINC000662168395 415666525 /nfs/dbraw/zinc/66/65/25/415666525.db2.gz DPZMWRPBHTVUPG-MRVPVSSYSA-N 1 2 291.576 2.134 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)c(F)c1 ZINC000071230578 176091941 /nfs/dbraw/zinc/09/19/41/176091941.db2.gz QYFDMWJAXLTKRI-UHFFFAOYSA-N 1 2 266.316 2.196 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)c(F)c1 ZINC000071230578 176091942 /nfs/dbraw/zinc/09/19/42/176091942.db2.gz QYFDMWJAXLTKRI-UHFFFAOYSA-N 1 2 266.316 2.196 20 30 CEEDLO Cc1cc2[nH]c(C[NH+]3CCN(CC#N)CC3)cc2c(C)c1 ZINC000336607159 227175966 /nfs/dbraw/zinc/17/59/66/227175966.db2.gz TVEVFMHFFZCYNP-UHFFFAOYSA-N 1 2 282.391 2.426 20 30 CEEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330022470 228018843 /nfs/dbraw/zinc/01/88/43/228018843.db2.gz ZPAOQGFFVHRLHD-TUAOUCFPSA-N 1 2 275.352 2.160 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330174131 228055804 /nfs/dbraw/zinc/05/58/04/228055804.db2.gz HWZLVZUDFHEXNR-UPJWGTAASA-N 1 2 276.384 2.280 20 30 CEEDLO C[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330174131 228055806 /nfs/dbraw/zinc/05/58/06/228055806.db2.gz HWZLVZUDFHEXNR-UPJWGTAASA-N 1 2 276.384 2.280 20 30 CEEDLO Cc1ccc([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000330247580 228078566 /nfs/dbraw/zinc/07/85/66/228078566.db2.gz LTNVCGLUVQKXKM-LBPRGKRZSA-N 1 2 285.351 2.236 20 30 CEEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000336237662 228219138 /nfs/dbraw/zinc/21/91/38/228219138.db2.gz ATUHMGHRMXGPQB-XHDPSFHLSA-N 1 2 266.304 2.361 20 30 CEEDLO NC(=[NH+]OCC(=O)NC1CCCC1)c1cccc(Cl)c1 ZINC000048376227 260199405 /nfs/dbraw/zinc/19/94/05/260199405.db2.gz ZOHNTDKODRKXQT-UHFFFAOYSA-N 1 2 295.770 2.036 20 30 CEEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1ccc(F)c(F)c1 ZINC000067099107 260250619 /nfs/dbraw/zinc/25/06/19/260250619.db2.gz FKRIDVRPOLJZGS-UHFFFAOYSA-N 1 2 294.261 2.062 20 30 CEEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078681736 260302229 /nfs/dbraw/zinc/30/22/29/260302229.db2.gz LPFZMXOPVGDXHQ-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000078681736 260302231 /nfs/dbraw/zinc/30/22/31/260302231.db2.gz LPFZMXOPVGDXHQ-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000078681736 260302233 /nfs/dbraw/zinc/30/22/33/260302233.db2.gz LPFZMXOPVGDXHQ-UHFFFAOYSA-N 1 2 287.407 2.043 20 30 CEEDLO Cc1ncc2c(n1)CC[N@@H+](CCOc1ccccc1C#N)C2 ZINC000518372173 260387067 /nfs/dbraw/zinc/38/70/67/260387067.db2.gz XCQLZFAISPMZHI-UHFFFAOYSA-N 1 2 294.358 2.094 20 30 CEEDLO Cc1ncc2c(n1)CC[N@H+](CCOc1ccccc1C#N)C2 ZINC000518372173 260387069 /nfs/dbraw/zinc/38/70/69/260387069.db2.gz XCQLZFAISPMZHI-UHFFFAOYSA-N 1 2 294.358 2.094 20 30 CEEDLO C#C[C@@H](CC)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490717104 261192107 /nfs/dbraw/zinc/19/21/07/261192107.db2.gz ARXOLLWJTNZHMX-RYUDHWBXSA-N 1 2 273.380 2.166 20 30 CEEDLO C#C[C@@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490717104 261192108 /nfs/dbraw/zinc/19/21/08/261192108.db2.gz ARXOLLWJTNZHMX-RYUDHWBXSA-N 1 2 273.380 2.166 20 30 CEEDLO CC#CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000361635533 261362253 /nfs/dbraw/zinc/36/22/53/261362253.db2.gz FLYNAFMZDSPPJL-LBPRGKRZSA-N 1 2 260.341 2.060 20 30 CEEDLO CC#CCCCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000364065954 262133739 /nfs/dbraw/zinc/13/37/39/262133739.db2.gz LMQMJGBNMNQIPO-CQSZACIVSA-N 1 2 273.380 2.379 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192222823 262200393 /nfs/dbraw/zinc/20/03/93/262200393.db2.gz XDLWLLVNINGDPH-CYBMUJFWSA-N 1 2 287.338 2.026 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000192222823 262200394 /nfs/dbraw/zinc/20/03/94/262200394.db2.gz XDLWLLVNINGDPH-CYBMUJFWSA-N 1 2 287.338 2.026 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000020319824 262221809 /nfs/dbraw/zinc/22/18/09/262221809.db2.gz OHULABUMEMLWGA-UHFFFAOYSA-N 1 2 288.391 2.012 20 30 CEEDLO Cc1cc(C(N)=[NH+]OCCO[C@@H]2CCCCO2)ccc1F ZINC000194713503 262241825 /nfs/dbraw/zinc/24/18/25/262241825.db2.gz MTCWISBWKFAILV-CQSZACIVSA-N 1 2 296.342 2.314 20 30 CEEDLO C=CCC1(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)CCC1 ZINC000365061207 262276876 /nfs/dbraw/zinc/27/68/76/262276876.db2.gz GCSABZYYRHESKZ-ZDUSSCGKSA-N 1 2 273.380 2.369 20 30 CEEDLO OC1(C2CC2)C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000365193976 262283114 /nfs/dbraw/zinc/28/31/14/262283114.db2.gz BYLKPHITPKHRPC-UHFFFAOYSA-N 1 2 261.752 2.148 20 30 CEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCOCC1 ZINC000330273938 262388808 /nfs/dbraw/zinc/38/88/08/262388808.db2.gz ZYPUGDYPBASJNB-NEPJUHHUSA-N 1 2 251.330 2.045 20 30 CEEDLO C=CCN(CC=C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411154850 262681488 /nfs/dbraw/zinc/68/14/88/262681488.db2.gz LJCVUFJGRDBBTJ-UHFFFAOYSA-N 1 2 287.363 2.146 20 30 CEEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000280725452 263064016 /nfs/dbraw/zinc/06/40/16/263064016.db2.gz KPZFPYMIXNBJAQ-GFCCVEGCSA-N 1 2 274.364 2.481 20 30 CEEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000280725452 263064017 /nfs/dbraw/zinc/06/40/17/263064017.db2.gz KPZFPYMIXNBJAQ-GFCCVEGCSA-N 1 2 274.364 2.481 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000284102146 263085881 /nfs/dbraw/zinc/08/58/81/263085881.db2.gz SNVJVZMGHLADQW-CQSZACIVSA-N 1 2 261.369 2.204 20 30 CEEDLO CC(C)(C)[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000284102146 263085882 /nfs/dbraw/zinc/08/58/82/263085882.db2.gz SNVJVZMGHLADQW-CQSZACIVSA-N 1 2 261.369 2.204 20 30 CEEDLO CCC[C@@H](C)C(=O)NCC/[NH+]=C/c1ccccc1O ZINC000292372068 263131608 /nfs/dbraw/zinc/13/16/08/263131608.db2.gz SMECXANJFOQAQK-PILJQMSFSA-N 1 2 262.353 2.364 20 30 CEEDLO CC#CC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000293045679 263137472 /nfs/dbraw/zinc/13/74/72/263137472.db2.gz HLNVCTWJKIEIRW-UHFFFAOYSA-N 1 2 266.304 2.063 20 30 CEEDLO CC#CC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000293045679 263137473 /nfs/dbraw/zinc/13/74/73/263137473.db2.gz HLNVCTWJKIEIRW-UHFFFAOYSA-N 1 2 266.304 2.063 20 30 CEEDLO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299176690 263233393 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CC[C@@](C)(O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331349277 264205740 /nfs/dbraw/zinc/20/57/40/264205740.db2.gz XSTQKFOZAXLVMO-CQSZACIVSA-N 1 2 265.357 2.494 20 30 CEEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425454382 264328847 /nfs/dbraw/zinc/32/88/47/264328847.db2.gz DKYRCHPAWGZYIY-QWHCGFSZSA-N 1 2 289.383 2.031 20 30 CEEDLO C#CC[C@H]([NH2+]Cc1oncc1C(=O)OC)c1ccccc1 ZINC000285290918 264552845 /nfs/dbraw/zinc/55/28/45/264552845.db2.gz BEGLHOKDJSYNMO-AWEZNQCLSA-N 1 2 284.315 2.315 20 30 CEEDLO CN1CCN(CC#Cc2ccccc2)c2ccc[nH+]c21 ZINC000361862516 266895961 /nfs/dbraw/zinc/89/59/61/266895961.db2.gz OGAYKBOITUJBHC-UHFFFAOYSA-N 1 2 263.344 2.390 20 30 CEEDLO CCCOc1ncccc1CNc1cc(C)[nH+]cc1C#N ZINC000425216211 267028507 /nfs/dbraw/zinc/02/85/07/267028507.db2.gz PXYLSYSFRHBSOF-UHFFFAOYSA-N 1 2 282.347 2.480 20 30 CEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000459324391 267069696 /nfs/dbraw/zinc/06/96/96/267069696.db2.gz KKNVPOSTUNHCOD-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000459324391 267069699 /nfs/dbraw/zinc/06/96/99/267069699.db2.gz KKNVPOSTUNHCOD-CYBMUJFWSA-N 1 2 289.335 2.467 20 30 CEEDLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000359986884 267125179 /nfs/dbraw/zinc/12/51/79/267125179.db2.gz TYAOKNCYDYVUCF-LBPRGKRZSA-N 1 2 282.347 2.054 20 30 CEEDLO CC[C@@H](C)[N@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459476228 267185113 /nfs/dbraw/zinc/18/51/13/267185113.db2.gz HEDCNEIGLQEPEO-LLVKDONJSA-N 1 2 277.324 2.059 20 30 CEEDLO CC[C@@H](C)[N@@H+](CCO)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459476228 267185116 /nfs/dbraw/zinc/18/51/16/267185116.db2.gz HEDCNEIGLQEPEO-LLVKDONJSA-N 1 2 277.324 2.059 20 30 CEEDLO Cc1cc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661986 267194581 /nfs/dbraw/zinc/19/45/81/267194581.db2.gz GMBXPCYAOVMNDW-KBPBESRZSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661986 267194587 /nfs/dbraw/zinc/19/45/87/267194587.db2.gz GMBXPCYAOVMNDW-KBPBESRZSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC000368661986 267194589 /nfs/dbraw/zinc/19/45/89/267194589.db2.gz GMBXPCYAOVMNDW-KBPBESRZSA-N 1 2 271.368 2.341 20 30 CEEDLO Cc1cc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC000368661986 267194591 /nfs/dbraw/zinc/19/45/91/267194591.db2.gz GMBXPCYAOVMNDW-KBPBESRZSA-N 1 2 271.368 2.341 20 30 CEEDLO C=C(Br)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000369210727 267226097 /nfs/dbraw/zinc/22/60/97/267226097.db2.gz AUYAUTKXXXAWCN-AXFHLTTASA-N 1 2 287.201 2.013 20 30 CEEDLO C=C(Br)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000369210727 267226100 /nfs/dbraw/zinc/22/61/00/267226100.db2.gz AUYAUTKXXXAWCN-AXFHLTTASA-N 1 2 287.201 2.013 20 30 CEEDLO C#CCC(C)(C)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369367023 267237610 /nfs/dbraw/zinc/23/76/10/267237610.db2.gz VGTNREOSOZMRLZ-ZDUSSCGKSA-N 1 2 273.380 2.176 20 30 CEEDLO CC[S@](=O)[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224571 267243091 /nfs/dbraw/zinc/24/30/91/267243091.db2.gz DWRYGNCOJSBSEF-CKNLXJGOSA-N 1 2 291.420 2.175 20 30 CEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)c1ccc(C#N)cc1 ZINC000492458130 267255655 /nfs/dbraw/zinc/25/56/55/267255655.db2.gz OAHHHMHIJOBVJU-CMDGGOBGSA-N 1 2 280.331 2.451 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000450826491 267257741 /nfs/dbraw/zinc/25/77/41/267257741.db2.gz GCSVVUUJRCOGGX-SECBINFHSA-N 1 2 286.295 2.251 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cscc1C#N ZINC000456358534 267259317 /nfs/dbraw/zinc/25/93/17/267259317.db2.gz QBCMFOFCXZDZAV-VIFPVBQESA-N 1 2 274.349 2.327 20 30 CEEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000370505050 267324974 /nfs/dbraw/zinc/32/49/74/267324974.db2.gz PBJIIZLAHYQWEG-QWHCGFSZSA-N 1 2 265.357 2.232 20 30 CEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000370505050 267324978 /nfs/dbraw/zinc/32/49/78/267324978.db2.gz PBJIIZLAHYQWEG-QWHCGFSZSA-N 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COc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580901404 322353653 /nfs/dbraw/zinc/35/36/53/322353653.db2.gz SNGQAGZIFUYFMU-JTQLQIEISA-N 1 2 284.319 2.107 20 30 CEEDLO C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)[NH+]1CC(C)C1 ZINC000581021293 322363176 /nfs/dbraw/zinc/36/31/76/322363176.db2.gz QBVXIIFGEUZLQG-LBPRGKRZSA-N 1 2 298.390 2.411 20 30 CEEDLO CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2[nH+]ccn2C)C1 ZINC000330999131 328472215 /nfs/dbraw/zinc/47/22/15/328472215.db2.gz ZDTQUJVKROMALJ-VXGBXAGGSA-N 1 2 296.440 2.440 20 30 CEEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180041000 328495188 /nfs/dbraw/zinc/49/51/88/328495188.db2.gz XCYARWSKASGNJF-CHWSQXEVSA-N 1 2 271.401 2.269 20 30 CEEDLO C=CC[C@@H](CC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000281834351 328503761 /nfs/dbraw/zinc/50/37/61/328503761.db2.gz KAZOTMHAGDPNFN-CYBMUJFWSA-N 1 2 272.352 2.488 20 30 CEEDLO C=C[C@H]1CCCCN1c1nc(NCCO)c2ccccc2[nH+]1 ZINC000563764513 328513018 /nfs/dbraw/zinc/51/30/18/328513018.db2.gz HOTALKXHZRIQCI-ZDUSSCGKSA-N 1 2 298.390 2.001 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343317144 328530240 /nfs/dbraw/zinc/53/02/40/328530240.db2.gz CLLTYCJOJYWPIP-CQSZACIVSA-N 1 2 270.380 2.064 20 30 CEEDLO C=CCCCS(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C ZINC000291857624 328535394 /nfs/dbraw/zinc/53/53/94/328535394.db2.gz JMXFUQBPWOLOMF-UHFFFAOYSA-N 1 2 279.365 2.281 20 30 CEEDLO COc1cc(OC)c(C[NH2+]CC2(C#N)CC2)c(OC)c1 ZINC000579908035 327410274 /nfs/dbraw/zinc/41/02/74/327410274.db2.gz AOCVFLMEJQXDPS-UHFFFAOYSA-N 1 2 276.336 2.106 20 30 CEEDLO C#Cc1cccc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)c1 ZINC000377747329 329027829 /nfs/dbraw/zinc/02/78/29/329027829.db2.gz RPVUYTSTWFULCX-ZDUSSCGKSA-N 1 2 265.316 2.450 20 30 CEEDLO CCC(CC)C[N@@H+](CCC#N)CCCS(C)(=O)=O ZINC000173551639 329149063 /nfs/dbraw/zinc/14/90/63/329149063.db2.gz QAYQABIEBNQGHH-UHFFFAOYSA-N 1 2 274.430 2.073 20 30 CEEDLO CCC(CC)C[N@H+](CCC#N)CCCS(C)(=O)=O ZINC000173551639 329149064 /nfs/dbraw/zinc/14/90/64/329149064.db2.gz QAYQABIEBNQGHH-UHFFFAOYSA-N 1 2 274.430 2.073 20 30 CEEDLO C=CCCCCC[N@@H+](C)Cc1noc(COC)n1 ZINC000182500499 329242560 /nfs/dbraw/zinc/24/25/60/329242560.db2.gz VAVFTNSFIFDVBR-UHFFFAOYSA-N 1 2 253.346 2.394 20 30 CEEDLO C=CCCCCC[N@H+](C)Cc1noc(COC)n1 ZINC000182500499 329242562 /nfs/dbraw/zinc/24/25/62/329242562.db2.gz VAVFTNSFIFDVBR-UHFFFAOYSA-N 1 2 253.346 2.394 20 30 CEEDLO C=CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000182663933 329243683 /nfs/dbraw/zinc/24/36/83/329243683.db2.gz OOUYLNKRBFVJHG-ZDUSSCGKSA-N 1 2 270.336 2.196 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183838391 329253025 /nfs/dbraw/zinc/25/30/25/329253025.db2.gz QTRFYUZEHJHYCJ-HNNXBMFYSA-N 1 2 283.379 2.037 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183838391 329253026 /nfs/dbraw/zinc/25/30/26/329253026.db2.gz QTRFYUZEHJHYCJ-HNNXBMFYSA-N 1 2 283.379 2.037 20 30 CEEDLO C=C(C)CS(=O)(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000184314717 329259027 /nfs/dbraw/zinc/25/90/27/329259027.db2.gz FQSXOXGWBUXALJ-UHFFFAOYSA-N 1 2 296.436 2.399 20 30 CEEDLO C=C(C)CS(=O)(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000184314717 329259028 /nfs/dbraw/zinc/25/90/28/329259028.db2.gz FQSXOXGWBUXALJ-UHFFFAOYSA-N 1 2 296.436 2.399 20 30 CEEDLO CC#CCCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000185056333 329265256 /nfs/dbraw/zinc/26/52/56/329265256.db2.gz LGNHFGRAFQBQHP-UHFFFAOYSA-N 1 2 282.347 2.077 20 30 CEEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1nnc2ccccn21 ZINC000192180198 329430486 /nfs/dbraw/zinc/43/04/86/329430486.db2.gz WUCRLVDZHGNEJO-AWEZNQCLSA-N 1 2 276.343 2.432 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc2ccccc21 ZINC000583756229 329474053 /nfs/dbraw/zinc/47/40/53/329474053.db2.gz UXCGHEGNRFGPQT-HNNXBMFYSA-N 1 2 271.320 2.006 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195043027 329690293 /nfs/dbraw/zinc/69/02/93/329690293.db2.gz JIFXNGNTFRUXOZ-AWEZNQCLSA-N 1 2 287.388 2.124 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CC)c1ccccc1 ZINC000572056589 329939987 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C=C(C)CN(CC)C(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533072572 330326909 /nfs/dbraw/zinc/32/69/09/330326909.db2.gz KLEJWTADFIWZCL-UHFFFAOYSA-N 1 2 288.391 2.175 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ncccc2CC)nn1 ZINC000424291705 330334937 /nfs/dbraw/zinc/33/49/37/330334937.db2.gz FFNQHDBCCPRAQE-LBPRGKRZSA-N 1 2 271.368 2.272 20 30 CEEDLO N#CCN1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000092936174 330414993 /nfs/dbraw/zinc/41/49/93/330414993.db2.gz DEBJNIVCPSYPGA-UHFFFAOYSA-N 1 2 290.436 2.442 20 30 CEEDLO C[N@@H+]1CCc2ncnc(Nc3cccc(CC#N)c3)c2C1 ZINC000450890994 331005106 /nfs/dbraw/zinc/00/51/06/331005106.db2.gz ITAZHJDAKPMLHL-UHFFFAOYSA-N 1 2 279.347 2.274 20 30 CEEDLO C[N@H+]1CCc2ncnc(Nc3cccc(CC#N)c3)c2C1 ZINC000450890994 331005107 /nfs/dbraw/zinc/00/51/07/331005107.db2.gz ITAZHJDAKPMLHL-UHFFFAOYSA-N 1 2 279.347 2.274 20 30 CEEDLO N#CC1(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)CC1 ZINC000451204970 331020437 /nfs/dbraw/zinc/02/04/37/331020437.db2.gz AKISVRPPOFNNJO-UHFFFAOYSA-N 1 2 269.348 2.054 20 30 CEEDLO N#CC1(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)CC1 ZINC000451204970 331020438 /nfs/dbraw/zinc/02/04/38/331020438.db2.gz AKISVRPPOFNNJO-UHFFFAOYSA-N 1 2 269.348 2.054 20 30 CEEDLO Cc1cc(C)c(CNS(=O)(=O)CC(C)(C)CC#N)c[nH+]1 ZINC000452040199 331051543 /nfs/dbraw/zinc/05/15/43/331051543.db2.gz JDJSLTGFCDWHKW-UHFFFAOYSA-N 1 2 295.408 2.058 20 30 CEEDLO C=CC(C)(C)CNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000452772149 331075706 /nfs/dbraw/zinc/07/57/06/331075706.db2.gz CZCCNFIYGSZOBH-HNNXBMFYSA-N 1 2 296.455 2.452 20 30 CEEDLO C=C(C)CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000455321229 331166081 /nfs/dbraw/zinc/16/60/81/331166081.db2.gz IJTVLZBDECEOIO-UHFFFAOYSA-N 1 2 288.395 2.188 20 30 CEEDLO C=C(C)CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000455329446 331166423 /nfs/dbraw/zinc/16/64/23/331166423.db2.gz SULFAULCOJYLIS-UHFFFAOYSA-N 1 2 258.325 2.100 20 30 CEEDLO C=CC(C)(C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000455374970 331167736 /nfs/dbraw/zinc/16/77/36/331167736.db2.gz YLMYCKKSPNAVGR-CQSZACIVSA-N 1 2 289.379 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/nfs/dbraw/zinc/29/14/87/332291487.db2.gz IJXDIIMWZFPMKH-AWEZNQCLSA-N 1 2 267.332 2.023 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000491740329 332319383 /nfs/dbraw/zinc/31/93/83/332319383.db2.gz DQUWVYBWVFCWGI-SECBINFHSA-N 1 2 264.712 2.159 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000491740329 332319384 /nfs/dbraw/zinc/31/93/84/332319384.db2.gz DQUWVYBWVFCWGI-SECBINFHSA-N 1 2 264.712 2.159 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000491740892 332319785 /nfs/dbraw/zinc/31/97/85/332319785.db2.gz RGAGQPANZBNHIU-QWHCGFSZSA-N 1 2 288.395 2.315 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491753660 332329006 /nfs/dbraw/zinc/32/90/06/332329006.db2.gz OWSNMKJDWCNPBU-HNNXBMFYSA-N 1 2 296.374 2.473 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000491810769 332363227 /nfs/dbraw/zinc/36/32/27/332363227.db2.gz ALBOYIWFNJHIJV-SECBINFHSA-N 1 2 287.388 2.339 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000491810769 332363228 /nfs/dbraw/zinc/36/32/28/332363228.db2.gz ALBOYIWFNJHIJV-SECBINFHSA-N 1 2 287.388 2.339 20 30 CEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492870233 332417028 /nfs/dbraw/zinc/41/70/28/332417028.db2.gz VQGHFYFDLGRWGJ-ZADCQDASSA-N 1 2 282.303 2.352 20 30 CEEDLO C=CC[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000186204532 333156575 /nfs/dbraw/zinc/15/65/75/333156575.db2.gz NLQYIQBCNYOAPP-OAHLLOKOSA-N 1 2 269.348 2.359 20 30 CEEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000192234894 333233594 /nfs/dbraw/zinc/23/35/94/333233594.db2.gz RSROBDZSKMGOCI-UHFFFAOYSA-N 1 2 261.712 2.455 20 30 CEEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000192234894 333233595 /nfs/dbraw/zinc/23/35/95/333233595.db2.gz RSROBDZSKMGOCI-UHFFFAOYSA-N 1 2 261.712 2.455 20 30 CEEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCS(=O)CC1 ZINC000135189175 334119395 /nfs/dbraw/zinc/11/93/95/334119395.db2.gz KQGCAARXSWTQQH-UHFFFAOYSA-N 1 2 276.405 2.052 20 30 CEEDLO C=C(C)C[N@@H+](Cc1nncn1C)Cc1ccccc1 ZINC000548753570 334169690 /nfs/dbraw/zinc/16/96/90/334169690.db2.gz QTOXKNNRYZRSBJ-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO C=C(C)C[N@H+](Cc1nncn1C)Cc1ccccc1 ZINC000548753570 334169691 /nfs/dbraw/zinc/16/96/91/334169691.db2.gz QTOXKNNRYZRSBJ-UHFFFAOYSA-N 1 2 256.353 2.393 20 30 CEEDLO Cc1nc(C(C)C)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309702 334642303 /nfs/dbraw/zinc/64/23/03/334642303.db2.gz RVCVRORUQYIKEM-INIZCTEOSA-N 1 2 288.395 2.087 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000581377422 336064673 /nfs/dbraw/zinc/06/46/73/336064673.db2.gz CERPRRWPPYUZRN-CQSZACIVSA-N 1 2 295.427 2.124 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC000382505975 336092025 /nfs/dbraw/zinc/09/20/25/336092025.db2.gz WXGBQUIFYMHPIH-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC000382505975 336092026 /nfs/dbraw/zinc/09/20/26/336092026.db2.gz WXGBQUIFYMHPIH-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO CC(C)[N@H+](CCC#N)Cc1cnn(CC(F)F)c1 ZINC000581778711 336145900 /nfs/dbraw/zinc/14/59/00/336145900.db2.gz QIQPCXFCOVNGNJ-UHFFFAOYSA-N 1 2 256.300 2.272 20 30 CEEDLO CC(C)[N@@H+](CCC#N)Cc1cnn(CC(F)F)c1 ZINC000581778711 336145901 /nfs/dbraw/zinc/14/59/01/336145901.db2.gz QIQPCXFCOVNGNJ-UHFFFAOYSA-N 1 2 256.300 2.272 20 30 CEEDLO Cc1ccc(CCNc2ccc(C)c(C#N)n2)[nH+]c1 ZINC000413349452 533789569 /nfs/dbraw/zinc/78/95/69/533789569.db2.gz RXJFFNHHGGYVJA-UHFFFAOYSA-N 1 2 252.321 2.042 20 30 CEEDLO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1=O ZINC000333666218 534158334 /nfs/dbraw/zinc/15/83/34/534158334.db2.gz XJZARVATCWMVFC-IHRRRGAJSA-N 1 2 299.374 2.082 20 30 CEEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184868310 518284379 /nfs/dbraw/zinc/28/43/79/518284379.db2.gz VEKQFMHSXQNMET-STQMWFEESA-N 1 2 297.358 2.130 20 30 CEEDLO CN(CCC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000067509310 522664700 /nfs/dbraw/zinc/66/47/00/522664700.db2.gz KIZMGMDHQLKZLN-VMPITWQZSA-N 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293.798 2.418 20 30 CEEDLO C#Cc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000891313521 623410154 /nfs/dbraw/zinc/41/01/54/623410154.db2.gz QPCZPXXZFQUHJR-ZDUSSCGKSA-N 1 2 265.316 2.066 20 30 CEEDLO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc(C#N)c1O ZINC000926139381 623531964 /nfs/dbraw/zinc/53/19/64/623531964.db2.gz ZBDALBUGXBXZRY-KRDDEPHXSA-N 1 2 280.393 2.072 20 30 CEEDLO CCn1cnc2c1CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000933256444 623563465 /nfs/dbraw/zinc/56/34/65/623563465.db2.gz DWWNLBBHZIADQK-UHFFFAOYSA-N 1 2 296.374 2.342 20 30 CEEDLO CCn1cnc2c1CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000933256444 623563468 /nfs/dbraw/zinc/56/34/68/623563468.db2.gz DWWNLBBHZIADQK-UHFFFAOYSA-N 1 2 296.374 2.342 20 30 CEEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000891572289 623795879 /nfs/dbraw/zinc/79/58/79/623795879.db2.gz CKUQFMHWBJMIOB-UHFFFAOYSA-N 1 2 297.358 2.482 20 30 CEEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891813726 623988783 /nfs/dbraw/zinc/98/87/83/623988783.db2.gz 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/nfs/dbraw/zinc/40/03/94/624400394.db2.gz BEWNKISSMZFEDB-MRVWCRGKSA-N 1 2 282.359 2.244 20 30 CEEDLO Cc1cc(F)c(C#N)c(NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000892244444 624450709 /nfs/dbraw/zinc/45/07/09/624450709.db2.gz JDDDDEIQAIBUIX-GFCCVEGCSA-N 1 2 277.343 2.138 20 30 CEEDLO Cc1cc(F)c(C#N)c(NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000892244444 624450712 /nfs/dbraw/zinc/45/07/12/624450712.db2.gz JDDDDEIQAIBUIX-GFCCVEGCSA-N 1 2 277.343 2.138 20 30 CEEDLO C=CCN(CC(=O)OCC)Cc1c[nH+]cn1C(C)C ZINC000157399662 624972358 /nfs/dbraw/zinc/97/23/58/624972358.db2.gz WIGNLTWBYXUQNV-UHFFFAOYSA-N 1 2 265.357 2.015 20 30 CEEDLO CCCCCCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178114311 625943906 /nfs/dbraw/zinc/94/39/06/625943906.db2.gz FJKFKNVFLLKLOT-UHFFFAOYSA-N 1 2 277.368 2.020 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@H](c2ccc(C)cc2)C1=O)C1CC1 ZINC000902210664 634527636 /nfs/dbraw/zinc/52/76/36/634527636.db2.gz OXJPLXRNAHYSLD-MRXNPFEDSA-N 1 2 298.386 2.445 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@H](c2ccc(C)cc2)C1=O)C1CC1 ZINC000902210664 634527638 /nfs/dbraw/zinc/52/76/38/634527638.db2.gz OXJPLXRNAHYSLD-MRXNPFEDSA-N 1 2 298.386 2.445 20 30 CEEDLO Cc1nn(C)cc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000180312285 627308828 /nfs/dbraw/zinc/30/88/28/627308828.db2.gz PWIPWTRLPDUCDA-VOTSOKGWSA-N 1 2 266.304 2.272 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000745084826 627953157 /nfs/dbraw/zinc/95/31/57/627953157.db2.gz JMUBYEJZAIUBKF-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000745084826 627953159 /nfs/dbraw/zinc/95/31/59/627953159.db2.gz JMUBYEJZAIUBKF-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)[C@@H]1CCCO1 ZINC000775789155 628338660 /nfs/dbraw/zinc/33/86/60/628338660.db2.gz KQRQNCWMGKILBR-IUCAKERBSA-N 1 2 290.310 2.432 20 30 CEEDLO COc1ccc(CC(N)=[NH+]OCc2cnc(C)s2)cc1 ZINC000195168531 628528143 /nfs/dbraw/zinc/52/81/43/628528143.db2.gz XHZHEGBECPSIFC-UHFFFAOYSA-N 1 2 291.376 2.492 20 30 CEEDLO 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CEEDLO c1ccc(N2CCC(=NN[C@@H]3CCSC3)CC2)[nH+]c1 ZINC000808001267 631903367 /nfs/dbraw/zinc/90/33/67/631903367.db2.gz IKFAVWPMSGBWPO-CYBMUJFWSA-N 1 2 276.409 2.133 20 30 CEEDLO COc1ccc2c(c1F)C/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000809156868 632062136 /nfs/dbraw/zinc/06/21/36/632062136.db2.gz OAPILJAQPOZWNG-FPLPWBNLSA-N 1 2 258.252 2.380 20 30 CEEDLO C#Cc1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000809623429 632114033 /nfs/dbraw/zinc/11/40/33/632114033.db2.gz WBHLCQUBUWYKIM-UHFFFAOYSA-N 1 2 290.164 2.443 20 30 CEEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000809644546 632120481 /nfs/dbraw/zinc/12/04/81/632120481.db2.gz SABBORFDFUZOOX-UHFFFAOYSA-N 1 2 299.418 2.294 20 30 CEEDLO CC[C@H]([NH2+]Cc1nncn1CC)c1cccc(C#N)c1O ZINC000924685028 632418376 /nfs/dbraw/zinc/41/83/76/632418376.db2.gz NLHDFSAYVUFDOK-ZDUSSCGKSA-N 1 2 285.351 2.116 20 30 CEEDLO C=CC[N@@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811765757 632440709 /nfs/dbraw/zinc/44/07/09/632440709.db2.gz AEHOLIKVQRAEDR-HNNXBMFYSA-N 1 2 258.365 2.153 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/nfs/dbraw/zinc/87/74/43/632877443.db2.gz IALIMRWBYHEJNM-CYBMUJFWSA-N 1 2 268.307 2.480 20 30 CEEDLO CC(=[NH+]N[C@@H](C)CC#N)c1cc(F)c(N)c(F)c1 ZINC000814880646 632912565 /nfs/dbraw/zinc/91/25/65/632912565.db2.gz BFRHFWDOMZZHNS-ZETCQYMHSA-N 1 2 252.268 2.163 20 30 CEEDLO Cn1cc[nH+]c1NN=Cc1cccc(O)c1Cl ZINC000814918623 632926988 /nfs/dbraw/zinc/92/69/88/632926988.db2.gz XNEBLYHPQIEFGA-UHFFFAOYSA-N 1 2 250.689 2.225 20 30 CEEDLO CCN(CC)c1ccc(C=[NH+]Nc2cnnn2C)cc1 ZINC000814982356 632947165 /nfs/dbraw/zinc/94/71/65/632947165.db2.gz XAPVGEBUSKCIDW-UHFFFAOYSA-N 1 2 272.356 2.107 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)nn1 ZINC000818344807 633914106 /nfs/dbraw/zinc/91/41/06/633914106.db2.gz AWJOURIOYGVURL-VIFPVBQESA-N 1 2 294.305 2.299 20 30 CEEDLO Cc1c(C(=O)/C=C/c2c[nH+]cn2C)c(C#N)c2n1CCC2 ZINC000901474067 634123449 /nfs/dbraw/zinc/12/34/49/634123449.db2.gz ULIOHTASCHSQRM-AATRIKPKSA-N 1 2 280.331 2.244 20 30 CEEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000901642727 634223963 /nfs/dbraw/zinc/22/39/63/634223963.db2.gz NTAQBUQASFNMNQ-DGCLKSJQSA-N 1 2 292.335 2.406 20 30 CEEDLO C=C(C)C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)[O-] ZINC000901678438 634244621 /nfs/dbraw/zinc/24/46/21/634244621.db2.gz GKAARXULRUNDSQ-ZDUSSCGKSA-N 1 2 291.376 2.443 20 30 CEEDLO C=CC[C@H]([NH2+]CC1(OC)CCCCCC1)C(=O)OC ZINC000901702310 634258487 /nfs/dbraw/zinc/25/84/87/634258487.db2.gz RNJBIOGIKDVSIK-ZDUSSCGKSA-N 1 2 269.385 2.433 20 30 CEEDLO C#C[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819931438 634288703 /nfs/dbraw/zinc/28/87/03/634288703.db2.gz NVQVBYNTBYDAGX-JSGCOSHPSA-N 1 2 267.332 2.070 20 30 CEEDLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc(C#N)ccn1 ZINC000902956665 634911709 /nfs/dbraw/zinc/91/17/09/634911709.db2.gz LYUOIEGFJCTMPP-DGCLKSJQSA-N 1 2 271.320 2.321 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000823072759 635060478 /nfs/dbraw/zinc/06/04/78/635060478.db2.gz HFCWNHITTYTFLZ-MCIONIFRSA-N 1 2 283.306 2.143 20 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286.314 2.079 20 30 CEEDLO C#CC[C@H](CCOC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000858857471 645272400 /nfs/dbraw/zinc/27/24/00/645272400.db2.gz ODIVKRXVLRHKLA-LLVKDONJSA-N 1 2 258.325 2.107 20 30 CEEDLO C#CC[C@@H](COC)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC000858861063 645274682 /nfs/dbraw/zinc/27/46/82/645274682.db2.gz RIXPNXBGTYLSCW-LBPRGKRZSA-N 1 2 275.352 2.121 20 30 CEEDLO C#CCOc1ccccc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000763830219 645581814 /nfs/dbraw/zinc/58/18/14/645581814.db2.gz HJWBSOAWCUCCMC-ZDUSSCGKSA-N 1 2 287.281 2.054 20 30 CEEDLO C#CCOc1ccccc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000763830219 645581821 /nfs/dbraw/zinc/58/18/21/645581821.db2.gz HJWBSOAWCUCCMC-ZDUSSCGKSA-N 1 2 287.281 2.054 20 30 CEEDLO C#CCC(C)(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000767072672 645952029 /nfs/dbraw/zinc/95/20/29/645952029.db2.gz PSCAKCQUPNPNKH-UHFFFAOYSA-N 1 2 270.376 2.168 20 30 CEEDLO C#CC[C@@H](COC)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000861129500 646036433 /nfs/dbraw/zinc/03/64/33/646036433.db2.gz MVRFHBMCTNPXEQ-ZDUSSCGKSA-N 1 2 275.352 2.167 20 30 CEEDLO C#CC[C@@H](COC)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000861279640 646102158 /nfs/dbraw/zinc/10/21/58/646102158.db2.gz GYZRFKBBQHTFGU-JKSUJKDBSA-N 1 2 289.375 2.261 20 30 CEEDLO C#CC[C@@H](COC)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000861279640 646102163 /nfs/dbraw/zinc/10/21/63/646102163.db2.gz GYZRFKBBQHTFGU-JKSUJKDBSA-N 1 2 289.375 2.261 20 30 CEEDLO C=CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)CC ZINC000118394833 646227247 /nfs/dbraw/zinc/22/72/47/646227247.db2.gz CLDUQFABIMGPCV-UHFFFAOYSA-N 1 2 281.421 2.152 20 30 CEEDLO C=CC[N@H+](CCc1ccccc1)CCS(=O)(=O)CC ZINC000118394833 646227251 /nfs/dbraw/zinc/22/72/51/646227251.db2.gz CLDUQFABIMGPCV-UHFFFAOYSA-N 1 2 281.421 2.152 20 30 CEEDLO FC(F)(F)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000769807828 646319879 /nfs/dbraw/zinc/31/98/79/646319879.db2.gz ATTHRKPPMNKYFT-UHFFFAOYSA-N 1 2 268.242 2.358 20 30 CEEDLO C#CCCN(Cc1[nH]c(C)c(C)[nH+]1)CC(F)(F)F ZINC000862325221 646400110 /nfs/dbraw/zinc/40/01/10/646400110.db2.gz ALNAMVAWRNYONP-UHFFFAOYSA-N 1 2 259.275 2.414 20 30 CEEDLO C#CC[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000862445537 646463480 /nfs/dbraw/zinc/46/34/80/646463480.db2.gz WRYBUDWBKGNVRM-NSHDSACASA-N 1 2 260.293 2.146 20 30 CEEDLO C#CC[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000862445537 646463484 /nfs/dbraw/zinc/46/34/84/646463484.db2.gz WRYBUDWBKGNVRM-NSHDSACASA-N 1 2 260.293 2.146 20 30 CEEDLO Cc1ccc(N=NCc2cccc3[nH+]ccn32)nc1 ZINC000771099726 646490751 /nfs/dbraw/zinc/49/07/51/646490751.db2.gz FJMITPRCYWXOOS-UHFFFAOYSA-N 1 2 251.293 2.484 20 30 CEEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(c2ccccc2)C1=O)C1CC1 ZINC000771638590 646539378 /nfs/dbraw/zinc/53/93/78/646539378.db2.gz BQLSMESDNKKOKQ-SFHVURJKSA-N 1 2 298.386 2.311 20 30 CEEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(c2ccccc2)C1=O)C1CC1 ZINC000771638590 646539381 /nfs/dbraw/zinc/53/93/81/646539381.db2.gz BQLSMESDNKKOKQ-SFHVURJKSA-N 1 2 298.386 2.311 20 30 CEEDLO C[C@@H](C#N)CN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863104166 646636089 /nfs/dbraw/zinc/63/60/89/646636089.db2.gz WASAGWJCDCKMTA-VIFPVBQESA-N 1 2 266.295 2.114 20 30 CEEDLO C=CC[N@@H+](CN1Cc2cc(OC)ccc2C1=O)C1CC1 ZINC000863263872 646689767 /nfs/dbraw/zinc/68/97/67/646689767.db2.gz VWSGBUUODPEPOH-UHFFFAOYSA-N 1 2 272.348 2.259 20 30 CEEDLO C=CC[N@H+](CN1Cc2cc(OC)ccc2C1=O)C1CC1 ZINC000863263872 646689768 /nfs/dbraw/zinc/68/97/68/646689768.db2.gz VWSGBUUODPEPOH-UHFFFAOYSA-N 1 2 272.348 2.259 20 30 CEEDLO C=Cn1cc(C=NNc2cc[nH+]c3ccccc23)cn1 ZINC000773055640 646700434 /nfs/dbraw/zinc/70/04/34/646700434.db2.gz ZYBIMYAJTISXIA-UHFFFAOYSA-N 1 2 263.304 2.400 20 30 CEEDLO C#C[C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000773590965 646760786 /nfs/dbraw/zinc/76/07/86/646760786.db2.gz NPWYAIPMXGEOAE-CQSZACIVSA-N 1 2 288.395 2.107 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCc3nc(COC)ncc3C2)cc1 ZINC000864087876 646894311 /nfs/dbraw/zinc/89/43/11/646894311.db2.gz ZYIPRYCILABBHH-UHFFFAOYSA-N 1 2 293.370 2.163 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCc3nc(COC)ncc3C2)cc1 ZINC000864087876 646894328 /nfs/dbraw/zinc/89/43/28/646894328.db2.gz ZYIPRYCILABBHH-UHFFFAOYSA-N 1 2 293.370 2.163 20 30 CEEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nccn1C ZINC000775412473 646951635 /nfs/dbraw/zinc/95/16/35/646951635.db2.gz NDXVLICESQNYGP-SNVBAGLBSA-N 1 2 258.300 2.282 20 30 CEEDLO N#Cc1cccc(CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC000776801616 647091551 /nfs/dbraw/zinc/09/15/51/647091551.db2.gz YKCXCEDVTTYFRK-UHFFFAOYSA-N 1 2 276.299 2.136 20 30 CEEDLO C=CC[N@@H+](C)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000777547494 647148179 /nfs/dbraw/zinc/14/81/79/647148179.db2.gz AGCBMVJNASRASY-AWEZNQCLSA-N 1 2 260.337 2.125 20 30 CEEDLO C=CC[N@H+](C)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000777547494 647148182 /nfs/dbraw/zinc/14/81/82/647148182.db2.gz AGCBMVJNASRASY-AWEZNQCLSA-N 1 2 260.337 2.125 20 30 CEEDLO Clc1ccnc(N=NC2CC[N@@H+]3CCC[C@@H]23)c1 ZINC000777905349 647189701 /nfs/dbraw/zinc/18/97/01/647189701.db2.gz HSPPWPMFFPQBJR-NSHDSACASA-N 1 2 250.733 2.371 20 30 CEEDLO Clc1ccnc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000777905349 647189704 /nfs/dbraw/zinc/18/97/04/647189704.db2.gz HSPPWPMFFPQBJR-NSHDSACASA-N 1 2 250.733 2.371 20 30 CEEDLO C=CCCOCCNc1cc(NCCC)[nH+]cn1 ZINC000865642811 647403177 /nfs/dbraw/zinc/40/31/77/647403177.db2.gz LSPDQKIMRFZINJ-UHFFFAOYSA-N 1 2 250.346 2.303 20 30 CEEDLO C=CCCOCCNc1cc(NCCC)nc[nH+]1 ZINC000865642811 647403180 /nfs/dbraw/zinc/40/31/80/647403180.db2.gz LSPDQKIMRFZINJ-UHFFFAOYSA-N 1 2 250.346 2.303 20 30 CEEDLO C[C@H]1CC(N=Nc2ncncc2Cl)CC[N@H+]1C ZINC000780276195 647410575 /nfs/dbraw/zinc/41/05/75/647410575.db2.gz LBIAKRPOOOYGKV-QMMMGPOBSA-N 1 2 253.737 2.012 20 30 CEEDLO C[C@H]1CC(N=Nc2ncncc2Cl)CC[N@@H+]1C ZINC000780276195 647410573 /nfs/dbraw/zinc/41/05/73/647410573.db2.gz LBIAKRPOOOYGKV-QMMMGPOBSA-N 1 2 253.737 2.012 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000780991799 647488890 /nfs/dbraw/zinc/48/88/90/647488890.db2.gz GVPUTYXCMMDQNG-LBPRGKRZSA-N 1 2 278.739 2.082 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000780991799 647488892 /nfs/dbraw/zinc/48/88/92/647488892.db2.gz GVPUTYXCMMDQNG-LBPRGKRZSA-N 1 2 278.739 2.082 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NCCC)[nH+]cn1 ZINC000865890875 647525878 /nfs/dbraw/zinc/52/58/78/647525878.db2.gz ZAQOIQBDMJVCDG-RYUDHWBXSA-N 1 2 262.357 2.302 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NCCC)nc[nH+]1 ZINC000865890875 647525881 /nfs/dbraw/zinc/52/58/81/647525881.db2.gz ZAQOIQBDMJVCDG-RYUDHWBXSA-N 1 2 262.357 2.302 20 30 CEEDLO C=CCn1nnn(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1=S ZINC000781588933 647541124 /nfs/dbraw/zinc/54/11/24/647541124.db2.gz YRSHVBCSCJZVNQ-JSGCOSHPSA-N 1 2 293.440 2.465 20 30 CEEDLO C=CCn1nnn(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1=S ZINC000781588933 647541125 /nfs/dbraw/zinc/54/11/25/647541125.db2.gz YRSHVBCSCJZVNQ-JSGCOSHPSA-N 1 2 293.440 2.465 20 30 CEEDLO COc1c(C)c[nH+]c(CNC(=O)NCC(C)(C)C#N)c1C ZINC000781932709 647573694 /nfs/dbraw/zinc/57/36/94/647573694.db2.gz HAQHXTDEOBCJFT-UHFFFAOYSA-N 1 2 290.367 2.056 20 30 CEEDLO C[C@H](CO)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866310120 647730000 /nfs/dbraw/zinc/73/00/00/647730000.db2.gz CQRZKPXGXZQNJV-RYUDHWBXSA-N 1 2 262.353 2.323 20 30 CEEDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866338535 647742322 /nfs/dbraw/zinc/74/23/22/647742322.db2.gz SWVMBQVHYWKFTB-TUKIKUTGSA-N 1 2 290.363 2.108 20 30 CEEDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866338532 647742425 /nfs/dbraw/zinc/74/24/25/647742425.db2.gz SWVMBQVHYWKFTB-BYCMXARLSA-N 1 2 290.363 2.108 20 30 CEEDLO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C#N)c1O ZINC000866338492 647742782 /nfs/dbraw/zinc/74/27/82/647742782.db2.gz SHXLYDVOXLWSHX-RYUDHWBXSA-N 1 2 260.337 2.341 20 30 CEEDLO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C#N)c1O ZINC000866341234 647744731 /nfs/dbraw/zinc/74/47/31/647744731.db2.gz KWGHCCJWPYRVLB-LERXQTSPSA-N 1 2 260.337 2.218 20 30 CEEDLO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866342669 647745833 /nfs/dbraw/zinc/74/58/33/647745833.db2.gz UIFNRPSEYFZDOW-JCMPJRQWSA-N 1 2 260.337 2.242 20 30 CEEDLO Cc1ncc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)o1 ZINC000866370906 647761579 /nfs/dbraw/zinc/76/15/79/647761579.db2.gz BSBQTKXDMLKPEI-VIFPVBQESA-N 1 2 257.293 2.411 20 30 CEEDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(C#N)c1O ZINC000866373874 647762024 /nfs/dbraw/zinc/76/20/24/647762024.db2.gz WKUDSADAZZVNCI-MNOVXSKESA-N 1 2 270.336 2.409 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCCCNC1=O ZINC000784340879 647838117 /nfs/dbraw/zinc/83/81/17/647838117.db2.gz GGJISNSWOSPINE-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCCCNC1=O ZINC000784340879 647838123 /nfs/dbraw/zinc/83/81/23/647838123.db2.gz GGJISNSWOSPINE-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO Cc1ccc(N2CC[NH+](CC3(C#N)CC3)CC2)cc1 ZINC000784389718 647845062 /nfs/dbraw/zinc/84/50/62/647845062.db2.gz FVPDTSBTLYUJGN-UHFFFAOYSA-N 1 2 255.365 2.421 20 30 CEEDLO CC(C)(C#N)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000786469479 648015541 /nfs/dbraw/zinc/01/55/41/648015541.db2.gz ADGDYCUKOPHQTB-UHFFFAOYSA-N 1 2 257.293 2.317 20 30 CEEDLO C#CCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000788250723 648166073 /nfs/dbraw/zinc/16/60/73/648166073.db2.gz UNMRDHSLBQBBLC-AWEZNQCLSA-N 1 2 285.391 2.288 20 30 CEEDLO C#CCn1ccc(CN(CC)c2nc(C)[nH+]c(C)c2C)n1 ZINC000788566122 648202928 /nfs/dbraw/zinc/20/29/28/648202928.db2.gz XTTSEKUENNCCIU-UHFFFAOYSA-N 1 2 283.379 2.258 20 30 CEEDLO C#CCOc1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1 ZINC000789790804 648343010 /nfs/dbraw/zinc/34/30/10/648343010.db2.gz BXNBCSOKOGQJOC-UHFFFAOYSA-N 1 2 298.342 2.222 20 30 CEEDLO C=CCN(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869106230 648351716 /nfs/dbraw/zinc/35/17/16/648351716.db2.gz LSIQLNZSBRVFOB-CQSZACIVSA-N 1 2 259.353 2.001 20 30 CEEDLO C=CCN(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869106230 648351724 /nfs/dbraw/zinc/35/17/24/648351724.db2.gz LSIQLNZSBRVFOB-CQSZACIVSA-N 1 2 259.353 2.001 20 30 CEEDLO C#CC[N@@H+](C)Cc1cn2cc(Br)ccc2n1 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/nfs/dbraw/zinc/81/45/33/810814533.db2.gz AJZFMWSULPZPJE-BBWFWOEESA-N 1 2 296.414 2.250 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001038255302 810814542 /nfs/dbraw/zinc/81/45/42/810814542.db2.gz AJZFMWSULPZPJE-BBWFWOEESA-N 1 2 296.414 2.250 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038284222 810818085 /nfs/dbraw/zinc/81/80/85/810818085.db2.gz NGWIPFNCYLIVRT-OAHLLOKOSA-N 1 2 282.387 2.003 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038284222 810818093 /nfs/dbraw/zinc/81/80/93/810818093.db2.gz NGWIPFNCYLIVRT-OAHLLOKOSA-N 1 2 282.387 2.003 20 30 CEEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001085576678 810836927 /nfs/dbraw/zinc/83/69/27/810836927.db2.gz WBNYIYIZVQOCAX-JTQLQIEISA-N 1 2 268.357 2.220 20 30 CEEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001085576678 810836932 /nfs/dbraw/zinc/83/69/32/810836932.db2.gz WBNYIYIZVQOCAX-JTQLQIEISA-N 1 2 268.357 2.220 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038585020 810866701 /nfs/dbraw/zinc/86/67/01/810866701.db2.gz LPZVGTDLKZAZIE-OAHLLOKOSA-N 1 2 295.386 2.304 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038585020 810866708 /nfs/dbraw/zinc/86/67/08/810866708.db2.gz LPZVGTDLKZAZIE-OAHLLOKOSA-N 1 2 295.386 2.304 20 30 CEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)cc1 ZINC001038583121 810868229 /nfs/dbraw/zinc/86/82/29/810868229.db2.gz SCGYVUWCMARLKA-RUFWOKOUSA-N 1 2 288.778 2.225 20 30 CEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)cc1 ZINC001038583121 810868236 /nfs/dbraw/zinc/86/82/36/810868236.db2.gz SCGYVUWCMARLKA-RUFWOKOUSA-N 1 2 288.778 2.225 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001038737713 810902801 /nfs/dbraw/zinc/90/28/01/810902801.db2.gz BVHQZVYUOZJZSN-LBPRGKRZSA-N 1 2 294.757 2.307 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001038737713 810902806 /nfs/dbraw/zinc/90/28/06/810902806.db2.gz BVHQZVYUOZJZSN-LBPRGKRZSA-N 1 2 294.757 2.307 20 30 CEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn1C1CCCC1 ZINC001038863448 810931229 /nfs/dbraw/zinc/93/12/29/810931229.db2.gz CIBVUVDCNLGLGC-HNNXBMFYSA-N 1 2 285.391 2.041 20 30 CEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn1C1CCCC1 ZINC001038863448 810931235 /nfs/dbraw/zinc/93/12/35/810931235.db2.gz CIBVUVDCNLGLGC-HNNXBMFYSA-N 1 2 285.391 2.041 20 30 CEEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001038996279 810965302 /nfs/dbraw/zinc/96/53/02/810965302.db2.gz TWXXNZXIMLVIRJ-AWEZNQCLSA-N 1 2 290.432 2.446 20 30 CEEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)c(C)s1 ZINC001038996279 810965304 /nfs/dbraw/zinc/96/53/04/810965304.db2.gz TWXXNZXIMLVIRJ-AWEZNQCLSA-N 1 2 290.432 2.446 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000712 811001584 /nfs/dbraw/zinc/00/15/84/811001584.db2.gz PEHXVVBTRLYCFU-CYBMUJFWSA-N 1 2 282.343 2.212 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000712 811001591 /nfs/dbraw/zinc/00/15/91/811001591.db2.gz PEHXVVBTRLYCFU-CYBMUJFWSA-N 1 2 282.343 2.212 20 30 CEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC#CC)C1 ZINC001039906586 811068519 /nfs/dbraw/zinc/06/85/19/811068519.db2.gz RVCJBDRQSURWSA-IYBDPMFKSA-N 1 2 286.419 2.431 20 30 CEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC#CC)C1 ZINC001039906586 811068528 /nfs/dbraw/zinc/06/85/28/811068528.db2.gz RVCJBDRQSURWSA-IYBDPMFKSA-N 1 2 286.419 2.431 20 30 CEEDLO N#CCc1ccc[nH+]c1NCCC(=O)Nc1nccs1 ZINC001168908790 811293712 /nfs/dbraw/zinc/29/37/12/811293712.db2.gz KHZFJYKCMKEEKE-UHFFFAOYSA-N 1 2 287.348 2.045 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001043258426 811360756 /nfs/dbraw/zinc/36/07/56/811360756.db2.gz QNUVYKTZDCQSLK-UHFFFAOYSA-N 1 2 281.359 2.177 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001043446960 811374264 /nfs/dbraw/zinc/37/42/64/811374264.db2.gz GUDFPWYQTJRHTK-UHFFFAOYSA-N 1 2 294.345 2.144 20 30 CEEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)C1 ZINC001043814025 811410209 /nfs/dbraw/zinc/41/02/09/811410209.db2.gz OCUAKMFQYYPHCM-HIFRSBDPSA-N 1 2 292.423 2.053 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001043981817 811423915 /nfs/dbraw/zinc/42/39/15/811423915.db2.gz OIJJZKBYWWRDPM-CQSZACIVSA-N 1 2 272.392 2.427 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC001043998468 811425201 /nfs/dbraw/zinc/42/52/01/811425201.db2.gz HAIMJWRZAMAKJA-QWHCGFSZSA-N 1 2 250.386 2.141 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC001044120032 811438518 /nfs/dbraw/zinc/43/85/18/811438518.db2.gz LNOFFEWZHGQKMV-DZGCQCFKSA-N 1 2 250.386 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001044112931 811439119 /nfs/dbraw/zinc/43/91/19/811439119.db2.gz AEDXMNCOZQONSL-CABCVRRESA-N 1 2 262.397 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001044114122 811439634 /nfs/dbraw/zinc/43/96/34/811439634.db2.gz GENUWSFFPISTRU-HOCLYGCPSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC001044125166 811441711 /nfs/dbraw/zinc/44/17/11/811441711.db2.gz WVUXDCPZMPFKLF-PKOBYXMFSA-N 1 2 296.414 2.219 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001044185655 811451486 /nfs/dbraw/zinc/45/14/86/811451486.db2.gz WVSAGKLRBHXHND-ZDUSSCGKSA-N 1 2 290.432 2.326 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001044347984 811472763 /nfs/dbraw/zinc/47/27/63/811472763.db2.gz OYZZTYUXWXGDDS-CHWSQXEVSA-N 1 2 264.413 2.387 20 30 CEEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cnc(CC)s2)C1 ZINC001044359158 811475895 /nfs/dbraw/zinc/47/58/95/811475895.db2.gz JSFLKBUVBXAMJH-UHFFFAOYSA-N 1 2 279.409 2.038 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001044375750 811478599 /nfs/dbraw/zinc/47/85/99/811478599.db2.gz VDVQOMYABHZHRU-UHFFFAOYSA-N 1 2 287.338 2.249 20 30 CEEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1[C@H](C)CCCC#N ZINC001172499757 815455625 /nfs/dbraw/zinc/45/56/25/815455625.db2.gz ZZNMLWOGKXCWMY-VXGBXAGGSA-N 1 2 270.398 2.049 20 30 CEEDLO CCOC(=O)[C@H]1CSCC[N@H+]1[C@H](C)CCCC#N ZINC001172499757 815455628 /nfs/dbraw/zinc/45/56/28/815455628.db2.gz ZZNMLWOGKXCWMY-VXGBXAGGSA-N 1 2 270.398 2.049 20 30 CEEDLO Cn1c[nH+]cc1CCCOC(=O)c1cccc(CC#N)c1 ZINC001122969465 815460886 /nfs/dbraw/zinc/46/08/86/815460886.db2.gz KIKLTDORLALDMH-UHFFFAOYSA-N 1 2 283.331 2.276 20 30 CEEDLO C#C[C@@](C)(CC)Nc1cc[nH+]c2[nH]cc(CC(=O)OC)c21 ZINC001169700060 811629925 /nfs/dbraw/zinc/62/99/25/811629925.db2.gz GTYDWYYKOZKIAJ-INIZCTEOSA-N 1 2 285.347 2.492 20 30 CEEDLO C=C[C@@H](CO)Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169784402 811669714 /nfs/dbraw/zinc/66/97/14/811669714.db2.gz IUSDRDJXQSVNTK-LBPRGKRZSA-N 1 2 271.320 2.014 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnccc2C)C1 ZINC001046211387 811710736 /nfs/dbraw/zinc/71/07/36/811710736.db2.gz YUAJWJKECLTPOZ-OAHLLOKOSA-N 1 2 293.798 2.337 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnccc2C)C1 ZINC001046211387 811710743 /nfs/dbraw/zinc/71/07/43/811710743.db2.gz YUAJWJKECLTPOZ-OAHLLOKOSA-N 1 2 293.798 2.337 20 30 CEEDLO CC1(C)CC(=O)C=C(Nc2c[nH+]c3c(c2)CCCN3)C1 ZINC001169953113 811724614 /nfs/dbraw/zinc/72/46/14/811724614.db2.gz NZKRUSLXPGZAHW-UHFFFAOYSA-N 1 2 271.364 2.412 20 30 CEEDLO C#Cc1ccccc1CC(=O)OCCCc1c[nH+]cn1C ZINC001123066075 815475343 /nfs/dbraw/zinc/47/53/43/815475343.db2.gz NNJASADUTBUZHD-UHFFFAOYSA-N 1 2 282.343 2.120 20 30 CEEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(O)c1 ZINC001212671257 815477902 /nfs/dbraw/zinc/47/79/02/815477902.db2.gz JKAYOHHFKTVLQA-UHFFFAOYSA-N 1 2 295.342 2.184 20 30 CEEDLO C=C(C)CCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109108907 811825222 /nfs/dbraw/zinc/82/52/22/811825222.db2.gz IBQDRLKIXQEZBD-GFCCVEGCSA-N 1 2 276.384 2.082 20 30 CEEDLO N#Cc1cccc(O)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212671086 815478176 /nfs/dbraw/zinc/47/81/76/815478176.db2.gz FUGASZXLBAMBBH-UHFFFAOYSA-N 1 2 295.342 2.184 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC2)C1 ZINC001046902328 811833934 /nfs/dbraw/zinc/83/39/34/811833934.db2.gz PIRMHNXKNPAEQV-NSHDSACASA-N 1 2 292.757 2.222 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC2)C1 ZINC001046902328 811833942 /nfs/dbraw/zinc/83/39/42/811833942.db2.gz PIRMHNXKNPAEQV-NSHDSACASA-N 1 2 292.757 2.222 20 30 CEEDLO CC[N@H+](C)[C@@H](C(=O)OCCO[C@H](C)C#N)c1ccccc1 ZINC000801841009 811882455 /nfs/dbraw/zinc/88/24/55/811882455.db2.gz CUJADKJUKPQMOO-UKRRQHHQSA-N 1 2 290.363 2.151 20 30 CEEDLO CC[N@@H+](C)[C@@H](C(=O)OCCO[C@H](C)C#N)c1ccccc1 ZINC000801841009 811882463 /nfs/dbraw/zinc/88/24/63/811882463.db2.gz CUJADKJUKPQMOO-UKRRQHHQSA-N 1 2 290.363 2.151 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C/C=C\Cc2ccccc2)CC1 ZINC001112985639 812134197 /nfs/dbraw/zinc/13/41/97/812134197.db2.gz KMVUPQHHKKYXHT-FPLPWBNLSA-N 1 2 296.414 2.343 20 30 CEEDLO CC#CCCCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113261536 812198061 /nfs/dbraw/zinc/19/80/61/812198061.db2.gz GCCDQDXUQUKJOK-STQMWFEESA-N 1 2 288.395 2.284 20 30 CEEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOCCCC)CC2)C1 ZINC001113324552 812222833 /nfs/dbraw/zinc/22/28/33/812222833.db2.gz KZZULNDZHBMSIZ-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097091240 812325698 /nfs/dbraw/zinc/32/56/98/812325698.db2.gz XVUNZCAWTFTCOQ-IMIFBBOLSA-N 1 2 288.395 2.302 20 30 CEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113852377 812411094 /nfs/dbraw/zinc/41/10/94/812411094.db2.gz ZFAIYNVWACRSOI-LRDDRELGSA-N 1 2 290.411 2.328 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1=CCCC1)O2 ZINC001053589978 812508461 /nfs/dbraw/zinc/50/84/61/812508461.db2.gz WGTQCPQDPIXUOK-OAHLLOKOSA-N 1 2 290.407 2.022 20 30 CEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cocn1 ZINC001054035663 812523035 /nfs/dbraw/zinc/52/30/35/812523035.db2.gz RHXPBWIVKMFNMG-OAHLLOKOSA-N 1 2 297.358 2.017 20 30 CEEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cocn1 ZINC001054035663 812523038 /nfs/dbraw/zinc/52/30/38/812523038.db2.gz RHXPBWIVKMFNMG-OAHLLOKOSA-N 1 2 297.358 2.017 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C)o3)cc2C1 ZINC001054255567 812554768 /nfs/dbraw/zinc/55/47/68/812554768.db2.gz SZWRUKOZUGBKSM-UHFFFAOYSA-N 1 2 294.354 2.467 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C)o3)cc2C1 ZINC001054255567 812554772 /nfs/dbraw/zinc/55/47/72/812554772.db2.gz SZWRUKOZUGBKSM-UHFFFAOYSA-N 1 2 294.354 2.467 20 30 CEEDLO CC(C)(C)OC(=O)NC1(C)C[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254671008 812568526 /nfs/dbraw/zinc/56/85/26/812568526.db2.gz NVBOJASNJMTYKI-RYUDHWBXSA-N 1 2 279.384 2.278 20 30 CEEDLO N#Cc1ccnnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695104 815561427 /nfs/dbraw/zinc/56/14/27/815561427.db2.gz NLEFNSIPOXKZGW-UHFFFAOYSA-N 1 2 276.303 2.337 20 30 CEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132569433 812894800 /nfs/dbraw/zinc/89/48/00/812894800.db2.gz RHWSATFNYVHSLW-RYUDHWBXSA-N 1 2 291.395 2.216 20 30 CEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001133379002 813042134 /nfs/dbraw/zinc/04/21/34/813042134.db2.gz QNYIVUKTAODPNE-OAHLLOKOSA-N 1 2 279.384 2.045 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn(C)c2)CC[C@H]1C ZINC001071427702 813403903 /nfs/dbraw/zinc/40/39/03/813403903.db2.gz PIYKEQCAUDNHPV-TZMCWYRMSA-N 1 2 295.814 2.360 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn(C)c2)CC[C@H]1C ZINC001071427702 813403900 /nfs/dbraw/zinc/40/39/00/813403900.db2.gz PIYKEQCAUDNHPV-TZMCWYRMSA-N 1 2 295.814 2.360 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)CC[C@H]1C ZINC001071720565 813470720 /nfs/dbraw/zinc/47/07/20/813470720.db2.gz CSQPFHWUAGRNSN-PWSUYJOCSA-N 1 2 296.802 2.053 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)CC[C@H]1C ZINC001071720565 813470723 /nfs/dbraw/zinc/47/07/23/813470723.db2.gz CSQPFHWUAGRNSN-PWSUYJOCSA-N 1 2 296.802 2.053 20 30 CEEDLO C[C@H]([NH2+]Cc1cocn1)c1ccc(OCC#N)cc1 ZINC000397784363 813637071 /nfs/dbraw/zinc/63/70/71/813637071.db2.gz FKOJOAKZKGGTRM-NSHDSACASA-N 1 2 257.293 2.428 20 30 CEEDLO C#CCCCCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098188202 813845617 /nfs/dbraw/zinc/84/56/17/813845617.db2.gz CHQRPIVSSGIQKE-ZDUSSCGKSA-N 1 2 288.395 2.285 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CC[C@]1(O)C(F)(F)F ZINC001144074085 813947921 /nfs/dbraw/zinc/94/79/21/813947921.db2.gz BYZHTVXYALIZOH-ZWNOBZJWSA-N 1 2 299.296 2.088 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CC[C@]1(O)C(F)(F)F ZINC001144074085 813947927 /nfs/dbraw/zinc/94/79/27/813947927.db2.gz BYZHTVXYALIZOH-ZWNOBZJWSA-N 1 2 299.296 2.088 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)nc1 ZINC001144157445 813970569 /nfs/dbraw/zinc/97/05/69/813970569.db2.gz IKJKVVWNGUXWFU-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)nc1 ZINC001144157445 813970573 /nfs/dbraw/zinc/97/05/73/813970573.db2.gz IKJKVVWNGUXWFU-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO Cc1nc(N[C@@H](C)CCNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001099087893 813985630 /nfs/dbraw/zinc/98/56/30/813985630.db2.gz YQVVCQAAQWWGHT-LBPRGKRZSA-N 1 2 288.395 2.141 20 30 CEEDLO CC[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC ZINC001171179618 814060546 /nfs/dbraw/zinc/06/05/46/814060546.db2.gz VDVNFXOFXJQLON-FZMZJTMJSA-N 1 2 260.337 2.030 20 30 CEEDLO COc1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001144468042 814079901 /nfs/dbraw/zinc/07/99/01/814079901.db2.gz KMKVCLIYNUVAES-LLVKDONJSA-N 1 2 263.316 2.355 20 30 CEEDLO COc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001144468042 814079907 /nfs/dbraw/zinc/07/99/07/814079907.db2.gz KMKVCLIYNUVAES-LLVKDONJSA-N 1 2 263.316 2.355 20 30 CEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001171224967 814189960 /nfs/dbraw/zinc/18/99/60/814189960.db2.gz WDPFLJJRSSGBLG-AWEZNQCLSA-N 1 2 299.418 2.432 20 30 CEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001171224967 814189963 /nfs/dbraw/zinc/18/99/63/814189963.db2.gz WDPFLJJRSSGBLG-AWEZNQCLSA-N 1 2 299.418 2.432 20 30 CEEDLO C=C[C@H](CC)CC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101917614 814337625 /nfs/dbraw/zinc/33/76/25/814337625.db2.gz QVVFIGRNBQZSFR-CYBMUJFWSA-N 1 2 276.384 2.258 20 30 CEEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784441961 814663068 /nfs/dbraw/zinc/66/30/68/814663068.db2.gz IARQXJWLJRQFHT-CABCVRRESA-N 1 2 289.335 2.254 20 30 CEEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784441961 814663072 /nfs/dbraw/zinc/66/30/72/814663072.db2.gz IARQXJWLJRQFHT-CABCVRRESA-N 1 2 289.335 2.254 20 30 CEEDLO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001138576874 815832219 /nfs/dbraw/zinc/83/22/19/815832219.db2.gz GBJOHEVFGOVURU-GFCCVEGCSA-N 1 2 291.420 2.481 20 30 CEEDLO N#CCC[N@@H+](Cc1cnc(N)s1)C1CCCC1 ZINC001139229222 815992050 /nfs/dbraw/zinc/99/20/50/815992050.db2.gz VNJJQIHWVDYHMD-UHFFFAOYSA-N 1 2 250.371 2.384 20 30 CEEDLO N#CCC[N@H+](Cc1cnc(N)s1)C1CCCC1 ZINC001139229222 815992054 /nfs/dbraw/zinc/99/20/54/815992054.db2.gz VNJJQIHWVDYHMD-UHFFFAOYSA-N 1 2 250.371 2.384 20 30 CEEDLO N#Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1O ZINC001174977214 816111792 /nfs/dbraw/zinc/11/17/92/816111792.db2.gz HRXLBXYAHHWUFT-UHFFFAOYSA-N 1 2 296.330 2.239 20 30 CEEDLO CCC[N@H+](CCC#N)Cc1ccccc1OCC(=O)OC ZINC001140424819 816253193 /nfs/dbraw/zinc/25/31/93/816253193.db2.gz AEHBHAKCPFQKCN-UHFFFAOYSA-N 1 2 290.363 2.364 20 30 CEEDLO CCC[N@@H+](CCC#N)Cc1ccccc1OCC(=O)OC ZINC001140424819 816253196 /nfs/dbraw/zinc/25/31/96/816253196.db2.gz AEHBHAKCPFQKCN-UHFFFAOYSA-N 1 2 290.363 2.364 20 30 CEEDLO C#Cc1cc(Nc2ccnc(Br)c2)cc[nH+]1 ZINC001175742887 816274178 /nfs/dbraw/zinc/27/41/78/816274178.db2.gz LIIVHDXEBKMTNR-UHFFFAOYSA-N 1 2 274.121 2.386 20 30 CEEDLO N#Cc1ncc(Nc2c[nH+]c(N)cc2C(F)(F)F)cn1 ZINC001175706771 816276428 /nfs/dbraw/zinc/27/64/28/816276428.db2.gz SUTHMFWBNVGOIO-UHFFFAOYSA-N 1 2 280.213 2.088 20 30 CEEDLO Cn1ncc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175711313 816277916 /nfs/dbraw/zinc/27/79/16/816277916.db2.gz VMKWWKVZCOTKEF-UHFFFAOYSA-N 1 2 282.229 2.031 20 30 CEEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603221 816298697 /nfs/dbraw/zinc/29/86/97/816298697.db2.gz FSIDLRZHSUTRTF-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140603221 816298701 /nfs/dbraw/zinc/29/87/01/816298701.db2.gz FSIDLRZHSUTRTF-AWEZNQCLSA-N 1 2 291.782 2.312 20 30 CEEDLO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)[nH]n1 ZINC001203070217 816378685 /nfs/dbraw/zinc/37/86/85/816378685.db2.gz LHKZFFSNVMUWQK-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)[nH]n1 ZINC001203070217 816378692 /nfs/dbraw/zinc/37/86/92/816378692.db2.gz LHKZFFSNVMUWQK-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Nc1cccc(F)c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001140873802 816392045 /nfs/dbraw/zinc/39/20/45/816392045.db2.gz SFEUYNMOLAWYTA-CYBMUJFWSA-N 1 2 278.352 2.182 20 30 CEEDLO Nc1cccc(F)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001140873802 816392053 /nfs/dbraw/zinc/39/20/53/816392053.db2.gz SFEUYNMOLAWYTA-CYBMUJFWSA-N 1 2 278.352 2.182 20 30 CEEDLO Cn1cnc(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001176749659 816465499 /nfs/dbraw/zinc/46/54/99/816465499.db2.gz KCJVBLJXCGFKIM-UHFFFAOYSA-N 1 2 268.324 2.031 20 30 CEEDLO N#Cc1cc[nH]c1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958571 816500728 /nfs/dbraw/zinc/50/07/28/816500728.db2.gz VMENBPXWRSLJEX-ZDUSSCGKSA-N 1 2 295.346 2.136 20 30 CEEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC001176965283 816501068 /nfs/dbraw/zinc/50/10/68/816501068.db2.gz OIPZCRAGSFJSKR-HUUCEWRRSA-N 1 2 298.390 2.060 20 30 CEEDLO C#Cc1ccc(NC(=O)CN(C)c2cccc[nH+]2)cc1F ZINC001177413560 816558558 /nfs/dbraw/zinc/55/85/58/816558558.db2.gz TXBHVMHQNURUTF-UHFFFAOYSA-N 1 2 283.306 2.277 20 30 CEEDLO COc1cc(C#N)c(F)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177926597 816635440 /nfs/dbraw/zinc/63/54/40/816635440.db2.gz LTQHBLKKXOTLAU-SECBINFHSA-N 1 2 288.282 2.102 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)CC[C@H]1O ZINC001143165043 816796059 /nfs/dbraw/zinc/79/60/59/816796059.db2.gz STRJVLWJUFRKLU-NOZJJQNGSA-N 1 2 266.291 2.039 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)CC[C@H]1O ZINC001143165043 816796062 /nfs/dbraw/zinc/79/60/62/816796062.db2.gz STRJVLWJUFRKLU-NOZJJQNGSA-N 1 2 266.291 2.039 20 30 CEEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000121589690 365590666 /nfs/dbraw/zinc/59/06/66/365590666.db2.gz KBHNSFGFMWELPE-UHFFFAOYSA-N 1 2 277.349 2.459 20 30 CEEDLO C=CC[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000121589690 365590668 /nfs/dbraw/zinc/59/06/68/365590668.db2.gz KBHNSFGFMWELPE-UHFFFAOYSA-N 1 2 277.349 2.459 20 30 CEEDLO C=CCNC(=O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621405124 349594714 /nfs/dbraw/zinc/59/47/14/349594714.db2.gz LNZASQPVXAQBIT-GFCCVEGCSA-N 1 2 260.328 2.092 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccccc1CC#N ZINC000601609444 346860727 /nfs/dbraw/zinc/86/07/27/346860727.db2.gz ZSRIMINVLVFXPU-GFCCVEGCSA-N 1 2 282.347 2.460 20 30 CEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000337975612 214339294 /nfs/dbraw/zinc/33/92/94/214339294.db2.gz KEVYYFNTXSMYDS-LLVKDONJSA-N 1 2 298.371 2.023 20 30 CEEDLO C[C@@]1(C#N)CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000601671104 346874829 /nfs/dbraw/zinc/87/48/29/346874829.db2.gz NYHDBYNDISPVLS-INIZCTEOSA-N 1 2 280.331 2.452 20 30 CEEDLO Cc1cn2cc(NC(=O)[C@@H]3CCN(C)C(=O)C3)ccc2[nH+]1 ZINC000328802206 539182652 /nfs/dbraw/zinc/18/26/52/539182652.db2.gz ZTPWYXHKWURSFQ-LLVKDONJSA-N 1 2 286.335 2.099 20 30 CEEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCc2c[nH]nc21 ZINC000329372146 539237928 /nfs/dbraw/zinc/23/79/28/539237928.db2.gz JFYPZLFJNOAWCN-LLVKDONJSA-N 1 2 259.313 2.100 20 30 CEEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCc2c[nH]nc21 ZINC000329372146 539237930 /nfs/dbraw/zinc/23/79/30/539237930.db2.gz JFYPZLFJNOAWCN-LLVKDONJSA-N 1 2 259.313 2.100 20 30 CEEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329541008 539241762 /nfs/dbraw/zinc/24/17/62/539241762.db2.gz DGFZZADOKPYYGX-YNEHKIRRSA-N 1 2 276.384 2.393 20 30 CEEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329541007 539241859 /nfs/dbraw/zinc/24/18/59/539241859.db2.gz DGFZZADOKPYYGX-RWMBFGLXSA-N 1 2 276.384 2.393 20 30 CEEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126060986 187214016 /nfs/dbraw/zinc/21/40/16/187214016.db2.gz IBRAPPDTROECPQ-XJKSGUPXSA-N 1 2 294.358 2.478 20 30 CEEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3ccccc3n2)C1 ZINC000329755307 539249121 /nfs/dbraw/zinc/24/91/21/539249121.db2.gz XWZQMLHTPXREOJ-CYBMUJFWSA-N 1 2 271.320 2.153 20 30 CEEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc3ccccc3n2)C1 ZINC000329755307 539249122 /nfs/dbraw/zinc/24/91/22/539249122.db2.gz XWZQMLHTPXREOJ-CYBMUJFWSA-N 1 2 271.320 2.153 20 30 CEEDLO C=C(CC)C[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000573449123 334938717 /nfs/dbraw/zinc/93/87/17/334938717.db2.gz NNSUFMFBBLLJHE-MCIONIFRSA-N 1 2 269.385 2.289 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@H](O)CC1(C#N)CC1 ZINC000601952832 346941397 /nfs/dbraw/zinc/94/13/97/346941397.db2.gz IRUQAESZZSFRHB-GFCCVEGCSA-N 1 2 255.321 2.400 20 30 CEEDLO C#CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000052928572 343568327 /nfs/dbraw/zinc/56/83/27/343568327.db2.gz NCOSZGVDEZOSHP-UHFFFAOYSA-N 1 2 257.362 2.052 20 30 CEEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054341095 343587962 /nfs/dbraw/zinc/58/79/62/343587962.db2.gz AGSPUWQUMJHFDD-SNVBAGLBSA-N 1 2 286.173 2.466 20 30 CEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054341095 343587965 /nfs/dbraw/zinc/58/79/65/343587965.db2.gz AGSPUWQUMJHFDD-SNVBAGLBSA-N 1 2 286.173 2.466 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000333584512 539336710 /nfs/dbraw/zinc/33/67/10/539336710.db2.gz RVBLFWWRTHJMKR-UPJWGTAASA-N 1 2 275.352 2.054 20 30 CEEDLO N#Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000057376188 343629526 /nfs/dbraw/zinc/62/95/26/343629526.db2.gz XBYRSPBEBGEJLP-UHFFFAOYSA-N 1 2 297.362 2.034 20 30 CEEDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1C1CC1 ZINC000059337823 343652833 /nfs/dbraw/zinc/65/28/33/343652833.db2.gz FQHXILYPSCWXFL-UHFFFAOYSA-N 1 2 275.381 2.367 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)C[C@H](C)C#N ZINC000060038338 343654584 /nfs/dbraw/zinc/65/45/84/343654584.db2.gz YPZUQDNHSMLFMA-KGLIPLIRSA-N 1 2 273.380 2.345 20 30 CEEDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)C[C@H](C)C#N ZINC000060038338 343654587 /nfs/dbraw/zinc/65/45/87/343654587.db2.gz YPZUQDNHSMLFMA-KGLIPLIRSA-N 1 2 273.380 2.345 20 30 CEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C[C@H](C)C#N ZINC000060038321 343654737 /nfs/dbraw/zinc/65/47/37/343654737.db2.gz PUCRKHCDQABHQR-CBBWQLFWSA-N 1 2 279.428 2.409 20 30 CEEDLO CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C[C@H](C)C#N ZINC000060038321 343654739 /nfs/dbraw/zinc/65/47/39/343654739.db2.gz PUCRKHCDQABHQR-CBBWQLFWSA-N 1 2 279.428 2.409 20 30 CEEDLO C=C(Br)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000061040749 343664870 /nfs/dbraw/zinc/66/48/70/343664870.db2.gz 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345563873 /nfs/dbraw/zinc/56/38/73/345563873.db2.gz KUMJGWJYBPFIMV-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000594348295 345615417 /nfs/dbraw/zinc/61/54/17/345615417.db2.gz XFZPZOIPKSFYNJ-AAEUAGOBSA-N 1 2 274.368 2.129 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000594348295 345615419 /nfs/dbraw/zinc/61/54/19/345615419.db2.gz XFZPZOIPKSFYNJ-AAEUAGOBSA-N 1 2 274.368 2.129 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2c1cccc2C#N ZINC000594372470 345618100 /nfs/dbraw/zinc/61/81/00/345618100.db2.gz DPZUSSLFPQEXEP-NSHDSACASA-N 1 2 280.331 2.049 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2c1cccc2C#N ZINC000594372470 345618103 /nfs/dbraw/zinc/61/81/03/345618103.db2.gz DPZUSSLFPQEXEP-NSHDSACASA-N 1 2 280.331 2.049 20 30 CEEDLO Cc1cc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)ccc1C#N ZINC000594512031 345641001 /nfs/dbraw/zinc/64/10/01/345641001.db2.gz SKPQUEPRHXYWGS-AWEZNQCLSA-N 1 2 297.362 2.126 20 30 CEEDLO CC[N@H+](CCCNc1ccc(C#N)c(N)n1)c1ccccc1 ZINC000594543768 345645287 /nfs/dbraw/zinc/64/52/87/345645287.db2.gz RBLBLUFIIUYFCV-UHFFFAOYSA-N 1 2 295.390 2.286 20 30 CEEDLO CC[N@@H+](CCCNc1ccc(C#N)c(N)n1)c1ccccc1 ZINC000594543768 345645290 /nfs/dbraw/zinc/64/52/90/345645290.db2.gz RBLBLUFIIUYFCV-UHFFFAOYSA-N 1 2 295.390 2.286 20 30 CEEDLO Cc1cc(N[C@@H](C2CC2)[C@@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000594590315 345653196 /nfs/dbraw/zinc/65/31/96/345653196.db2.gz KMIBWYROKKYDBY-HOTGVXAUSA-N 1 2 271.364 2.443 20 30 CEEDLO Cc1[nH]ncc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594985061 345721948 /nfs/dbraw/zinc/72/19/48/345721948.db2.gz URMMYAVKEGBDNU-UHFFFAOYSA-N 1 2 296.374 2.385 20 30 CEEDLO CC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccc(C#N)cc1 ZINC000595064745 345737862 /nfs/dbraw/zinc/73/78/62/345737862.db2.gz AZCGBZVRHAZUKM-CYBMUJFWSA-N 1 2 285.351 2.064 20 30 CEEDLO CC[C@@H]([NH2+]Cc1nnc(COC)[nH]1)c1ccc(C#N)cc1 ZINC000595064745 345737865 /nfs/dbraw/zinc/73/78/65/345737865.db2.gz AZCGBZVRHAZUKM-CYBMUJFWSA-N 1 2 285.351 2.064 20 30 CEEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1n[nH]c(=O)o1 ZINC000595544502 345808490 /nfs/dbraw/zinc/80/84/90/345808490.db2.gz ACKCINFVVPDHGC-UHFFFAOYSA-N 1 2 264.329 2.071 20 30 CEEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1n[nH]c(=O)o1 ZINC000595544502 345808495 /nfs/dbraw/zinc/80/84/95/345808495.db2.gz ACKCINFVVPDHGC-UHFFFAOYSA-N 1 2 264.329 2.071 20 30 CEEDLO CC[C@@](C)([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000595407995 345775863 /nfs/dbraw/zinc/77/58/63/345775863.db2.gz OTAVKSKQKZGNRR-OAHLLOKOSA-N 1 2 260.337 2.032 20 30 CEEDLO Cc1cccc2[nH+]c(CNC(=O)N3CC[C@](C)(C#N)C3)cn21 ZINC000595514284 345801355 /nfs/dbraw/zinc/80/13/55/345801355.db2.gz CNNCYZVVKIGKFZ-MRXNPFEDSA-N 1 2 297.362 2.088 20 30 CEEDLO C[C@H](O)C[N@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595521773 345803469 /nfs/dbraw/zinc/80/34/69/345803469.db2.gz VXYRLCLDPMOGNP-NSHDSACASA-N 1 2 268.307 2.049 20 30 CEEDLO C[C@H](O)C[N@@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595521773 345803471 /nfs/dbraw/zinc/80/34/71/345803471.db2.gz VXYRLCLDPMOGNP-NSHDSACASA-N 1 2 268.307 2.049 20 30 CEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000595669519 345844288 /nfs/dbraw/zinc/84/42/88/345844288.db2.gz VZYCPPFKKZXLSE-COPLHBTASA-N 1 2 294.424 2.237 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613842 345828110 /nfs/dbraw/zinc/82/81/10/345828110.db2.gz IKFOAOXMGQKCCD-RYUDHWBXSA-N 1 2 252.358 2.342 20 30 CEEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613842 345828114 /nfs/dbraw/zinc/82/81/14/345828114.db2.gz IKFOAOXMGQKCCD-RYUDHWBXSA-N 1 2 252.358 2.342 20 30 CEEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623581 345830608 /nfs/dbraw/zinc/83/06/08/345830608.db2.gz UJVSGXDGRYBHSC-LBPRGKRZSA-N 1 2 290.367 2.021 20 30 CEEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623581 345830611 /nfs/dbraw/zinc/83/06/11/345830611.db2.gz UJVSGXDGRYBHSC-LBPRGKRZSA-N 1 2 290.367 2.021 20 30 CEEDLO Cc1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595641069 345834930 /nfs/dbraw/zinc/83/49/30/345834930.db2.gz YZYPZIPSSUYJDY-UHFFFAOYSA-N 1 2 256.309 2.275 20 30 CEEDLO CCN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595833545 345890622 /nfs/dbraw/zinc/89/06/22/345890622.db2.gz DHJPHGLWSRTRFF-INIZCTEOSA-N 1 2 277.412 2.403 20 30 CEEDLO CCN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595833545 345890627 /nfs/dbraw/zinc/89/06/27/345890627.db2.gz DHJPHGLWSRTRFF-INIZCTEOSA-N 1 2 277.412 2.403 20 30 CEEDLO CN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595834396 345891355 /nfs/dbraw/zinc/89/13/55/345891355.db2.gz JHGXMOATWXSIEV-HNNXBMFYSA-N 1 2 263.385 2.013 20 30 CEEDLO CN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595834396 345891357 /nfs/dbraw/zinc/89/13/57/345891357.db2.gz JHGXMOATWXSIEV-HNNXBMFYSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H](C)O1 ZINC000595779473 345874267 /nfs/dbraw/zinc/87/42/67/345874267.db2.gz ARELWULYNKUZIG-MNOVXSKESA-N 1 2 293.392 2.058 20 30 CEEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H](C)O1 ZINC000595779473 345874270 /nfs/dbraw/zinc/87/42/70/345874270.db2.gz ARELWULYNKUZIG-MNOVXSKESA-N 1 2 293.392 2.058 20 30 CEEDLO Cc1ccc(C#N)nc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000596171584 345959489 /nfs/dbraw/zinc/95/94/89/345959489.db2.gz GJYFSFAQQLGWMY-AWEZNQCLSA-N 1 2 279.347 2.348 20 30 CEEDLO CC[C@@H](C[NH+]1CCCC1)Nc1nc(C#N)c(Cl)s1 ZINC000596132416 345946888 /nfs/dbraw/zinc/94/68/88/345946888.db2.gz KMVCFNBPFSQFOF-VIFPVBQESA-N 1 2 284.816 2.376 20 30 CEEDLO C[C@@H](Nc1ncc2c(c1C#N)CCC2)c1[nH]cc[nH+]1 ZINC000596238332 345977198 /nfs/dbraw/zinc/97/71/98/345977198.db2.gz QEHGLKFCJIQFFB-SECBINFHSA-N 1 2 253.309 2.338 20 30 CEEDLO C=CCCSCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000596413444 346018182 /nfs/dbraw/zinc/01/81/82/346018182.db2.gz LYKXBOGBWHRUBH-UHFFFAOYSA-N 1 2 262.382 2.409 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000596710029 346078183 /nfs/dbraw/zinc/07/81/83/346078183.db2.gz JGLVAYRBSUPEMT-XHDPSFHLSA-N 1 2 298.321 2.035 20 30 CEEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000596710029 346078185 /nfs/dbraw/zinc/07/81/85/346078185.db2.gz JGLVAYRBSUPEMT-XHDPSFHLSA-N 1 2 298.321 2.035 20 30 CEEDLO Cc1cc[nH+]cc1Cc1noc(CC2(C#N)CC2)n1 ZINC000596618017 346065766 /nfs/dbraw/zinc/06/57/66/346065766.db2.gz ZOWRGNIZPBLKTO-UHFFFAOYSA-N 1 2 254.293 2.210 20 30 CEEDLO Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000596928404 346107474 /nfs/dbraw/zinc/10/74/74/346107474.db2.gz UFZLABVCRXFJSI-LLVKDONJSA-N 1 2 283.335 2.483 20 30 CEEDLO Cn1ncc(C(F)(F)F)c1C[NH2+]CC(C)(C)C#N ZINC000597082088 346125524 /nfs/dbraw/zinc/12/55/24/346125524.db2.gz GJTIWMOSRKZETA-UHFFFAOYSA-N 1 2 260.263 2.078 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CO[C@@H](CC)C1)C(=O)OCC ZINC000597153290 346137205 /nfs/dbraw/zinc/13/72/05/346137205.db2.gz ZKYMRMJCYFCMIG-AVGNSLFASA-N 1 2 255.358 2.041 20 30 CEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000597257585 346163623 /nfs/dbraw/zinc/16/36/23/346163623.db2.gz GTZPZNHMVPEETM-WWGRRREGSA-N 1 2 286.379 2.034 20 30 CEEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)cc1Cl ZINC000597203113 346148405 /nfs/dbraw/zinc/14/84/05/346148405.db2.gz FKFLDOXLRHRZAN-UHFFFAOYSA-N 1 2 278.739 2.472 20 30 CEEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C(C)(C)C)n1 ZINC000597229489 346155211 /nfs/dbraw/zinc/15/52/11/346155211.db2.gz BCHSUODKHWXVQU-HNNXBMFYSA-N 1 2 260.385 2.453 20 30 CEEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C(C)(C)C)n1 ZINC000597229489 346155214 /nfs/dbraw/zinc/15/52/14/346155214.db2.gz BCHSUODKHWXVQU-HNNXBMFYSA-N 1 2 260.385 2.453 20 30 CEEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@](C)(C#N)C2)[nH]c1C ZINC000597230954 346155825 /nfs/dbraw/zinc/15/58/25/346155825.db2.gz KLNHAEXPDYQWPZ-OAHLLOKOSA-N 1 2 275.352 2.235 20 30 CEEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@](C)(C#N)C2)[nH]c1C ZINC000597230954 346155827 /nfs/dbraw/zinc/15/58/27/346155827.db2.gz KLNHAEXPDYQWPZ-OAHLLOKOSA-N 1 2 275.352 2.235 20 30 CEEDLO C[C@H](CC#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000597252849 346163125 /nfs/dbraw/zinc/16/31/25/346163125.db2.gz AFDQJOMESGSQEF-ZWNOBZJWSA-N 1 2 295.333 2.233 20 30 CEEDLO C[C@@H](CC#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000597491082 346193339 /nfs/dbraw/zinc/19/33/39/346193339.db2.gz FTHZTPCWLHLXGD-AWEZNQCLSA-N 1 2 288.395 2.452 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000597750882 346225963 /nfs/dbraw/zinc/22/59/63/346225963.db2.gz FJJCGLKRDYPEFN-ZIAGYGMSSA-N 1 2 280.331 2.228 20 30 CEEDLO C[C@]1(C#N)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000598413984 346350717 /nfs/dbraw/zinc/35/07/17/346350717.db2.gz ZIUPGKLOVOEYBU-QGZVFWFLSA-N 1 2 294.358 2.307 20 30 CEEDLO C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1[nH+]ccn1C ZINC000598464381 346361058 /nfs/dbraw/zinc/36/10/58/346361058.db2.gz JLVSABIGOAORQB-DZGCQCFKSA-N 1 2 296.374 2.370 20 30 CEEDLO C=CCc1cc(C[N@@H+]2CCc3n[nH]cc3C2)cc(OC)c1O ZINC000623237485 349956840 /nfs/dbraw/zinc/95/68/40/349956840.db2.gz AGUMAKXPHANEOG-UHFFFAOYSA-N 1 2 299.374 2.411 20 30 CEEDLO C=CCc1cc(C[N@H+]2CCc3n[nH]cc3C2)cc(OC)c1O ZINC000623237485 349956841 /nfs/dbraw/zinc/95/68/41/349956841.db2.gz AGUMAKXPHANEOG-UHFFFAOYSA-N 1 2 299.374 2.411 20 30 CEEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592165 346379597 /nfs/dbraw/zinc/37/95/97/346379597.db2.gz GNDMTJSCFFAZAG-UONOGXRCSA-N 1 2 292.379 2.262 20 30 CEEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592165 346379600 /nfs/dbraw/zinc/37/96/00/346379600.db2.gz GNDMTJSCFFAZAG-UONOGXRCSA-N 1 2 292.379 2.262 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000598674339 346398004 /nfs/dbraw/zinc/39/80/04/346398004.db2.gz QHBUHBRMYUAPMN-CQSZACIVSA-N 1 2 268.364 2.375 20 30 CEEDLO CC[N@H+](CCC#N)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598678309 346399525 /nfs/dbraw/zinc/39/95/25/346399525.db2.gz HFFLGGOQAYYDCA-UHFFFAOYSA-N 1 2 289.379 2.347 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598678309 346399528 /nfs/dbraw/zinc/39/95/28/346399528.db2.gz HFFLGGOQAYYDCA-UHFFFAOYSA-N 1 2 289.379 2.347 20 30 CEEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cccc(C#N)c1)CC2 ZINC000598958482 346437670 /nfs/dbraw/zinc/43/76/70/346437670.db2.gz QGOCDGQQAJSXRY-CYBMUJFWSA-N 1 2 280.331 2.264 20 30 CEEDLO N#CCC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599108303 346460920 /nfs/dbraw/zinc/46/09/20/346460920.db2.gz WNNXMULQZGCBTP-UHFFFAOYSA-N 1 2 268.276 2.493 20 30 CEEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000599159728 346469775 /nfs/dbraw/zinc/46/97/75/346469775.db2.gz CQUBVQXKQSVASH-GFCCVEGCSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000599159728 346469777 /nfs/dbraw/zinc/46/97/77/346469777.db2.gz CQUBVQXKQSVASH-GFCCVEGCSA-N 1 2 299.296 2.320 20 30 CEEDLO Cc1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1C#N ZINC000599292294 346492168 /nfs/dbraw/zinc/49/21/68/346492168.db2.gz AQNZGRUXQMPPJM-CHWSQXEVSA-N 1 2 294.420 2.120 20 30 CEEDLO Cc1ccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1C#N ZINC000599292294 346492170 /nfs/dbraw/zinc/49/21/70/346492170.db2.gz AQNZGRUXQMPPJM-CHWSQXEVSA-N 1 2 294.420 2.120 20 30 CEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599642207 346551823 /nfs/dbraw/zinc/55/18/23/346551823.db2.gz LAPUGUKKAXATKW-AWEZNQCLSA-N 1 2 278.327 2.127 20 30 CEEDLO COc1ccc(C#N)cc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599642207 346551824 /nfs/dbraw/zinc/55/18/24/346551824.db2.gz LAPUGUKKAXATKW-AWEZNQCLSA-N 1 2 278.327 2.127 20 30 CEEDLO Cc1[nH]c(CN2CCN(c3ccccc3C#N)CC2)[nH+]c1C ZINC000600113068 346599542 /nfs/dbraw/zinc/59/95/42/346599542.db2.gz YKXBOVXALCNAKO-UHFFFAOYSA-N 1 2 295.390 2.220 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000600315542 346634087 /nfs/dbraw/zinc/63/40/87/346634087.db2.gz QCPKTPONYPNVED-MFKMUULPSA-N 1 2 286.310 2.304 20 30 CEEDLO COc1cc(C[NH+]2CC(CC#N)C2)c(Cl)cc1O ZINC000600860069 346700525 /nfs/dbraw/zinc/70/05/25/346700525.db2.gz SGQQNMOPAWYYLL-UHFFFAOYSA-N 1 2 266.728 2.400 20 30 CEEDLO Cc1cc(N2CCN(c3cncc(F)c3)CC2)c(C#N)c[nH+]1 ZINC000601186692 346780793 /nfs/dbraw/zinc/78/07/93/346780793.db2.gz VRPZKXKUJKCASA-UHFFFAOYSA-N 1 2 297.337 2.122 20 30 CEEDLO Cc1ccc[nH+]c1CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601172258 346777111 /nfs/dbraw/zinc/77/71/11/346777111.db2.gz ZBCWKMGMWKYNON-UHFFFAOYSA-N 1 2 279.347 2.006 20 30 CEEDLO COC(=O)[C@H](CC(F)(F)F)[NH2+]C[C@@H](C)CCC#N ZINC000602636370 347116118 /nfs/dbraw/zinc/11/61/18/347116118.db2.gz UTDDZPGSCDMJMQ-IUCAKERBSA-N 1 2 266.263 2.010 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)OCC ZINC000602683979 347143381 /nfs/dbraw/zinc/14/33/81/347143381.db2.gz ZDQGOQBAEYSFHQ-AVGNSLFASA-N 1 2 255.358 2.041 20 30 CEEDLO N#Cc1c(F)cccc1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000602688804 347148348 /nfs/dbraw/zinc/14/83/48/347148348.db2.gz DJVUJPXRUBJXSR-UHFFFAOYSA-N 1 2 296.345 2.443 20 30 CEEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602793240 347201008 /nfs/dbraw/zinc/20/10/08/347201008.db2.gz IKWBBJTVHPGWJC-LBPRGKRZSA-N 1 2 250.342 2.096 20 30 CEEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602793240 347201011 /nfs/dbraw/zinc/20/10/11/347201011.db2.gz IKWBBJTVHPGWJC-LBPRGKRZSA-N 1 2 250.342 2.096 20 30 CEEDLO COC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCCC1 ZINC000602806256 347207566 /nfs/dbraw/zinc/20/75/66/347207566.db2.gz DOGLRCSJHYXBJF-ZDUSSCGKSA-N 1 2 264.369 2.392 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCc3c(O)cccc3C2)n1 ZINC000602723691 347171255 /nfs/dbraw/zinc/17/12/55/347171255.db2.gz HYQMEZAEUQAYIC-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCc3c(O)cccc3C2)n1 ZINC000602723691 347171257 /nfs/dbraw/zinc/17/12/57/347171257.db2.gz HYQMEZAEUQAYIC-UHFFFAOYSA-N 1 2 265.316 2.217 20 30 CEEDLO CCn1c2ccccc2nc1C[NH+]1CCN(CCC#N)CC1 ZINC000602751596 347185086 /nfs/dbraw/zinc/18/50/86/347185086.db2.gz POXGTLNVBXKPPB-UHFFFAOYSA-N 1 2 297.406 2.087 20 30 CEEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000602938777 347252431 /nfs/dbraw/zinc/25/24/31/347252431.db2.gz QMTKJFVPDQDGQF-LBPRGKRZSA-N 1 2 297.362 2.049 20 30 CEEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000602938777 347252433 /nfs/dbraw/zinc/25/24/33/347252433.db2.gz QMTKJFVPDQDGQF-LBPRGKRZSA-N 1 2 297.362 2.049 20 30 CEEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@@H](C)N1CC#N ZINC000602854750 347226236 /nfs/dbraw/zinc/22/62/36/347226236.db2.gz RERNRAVTQKPAGG-CHWSQXEVSA-N 1 2 286.354 2.116 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C)N1CC#N ZINC000602858923 347227442 /nfs/dbraw/zinc/22/74/42/347227442.db2.gz WANMARPFCNCLJJ-PHIMTYICSA-N 1 2 294.380 2.074 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C)N1CC#N ZINC000602858923 347227445 /nfs/dbraw/zinc/22/74/45/347227445.db2.gz WANMARPFCNCLJJ-PHIMTYICSA-N 1 2 294.380 2.074 20 30 CEEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602860208 347228021 /nfs/dbraw/zinc/22/80/21/347228021.db2.gz BVVVTBCMHFVFTK-UONOGXRCSA-N 1 2 273.380 2.234 20 30 CEEDLO CSc1cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602862284 347229167 /nfs/dbraw/zinc/22/91/67/347229167.db2.gz JMOOAWCRMZBCIV-JTQLQIEISA-N 1 2 263.366 2.239 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000602871737 347232677 /nfs/dbraw/zinc/23/26/77/347232677.db2.gz VNNLGYCYCJHCBD-TYNCELHUSA-N 1 2 289.354 2.379 20 30 CEEDLO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000602871298 347232882 /nfs/dbraw/zinc/23/28/82/347232882.db2.gz QGMAZMOIPPXNBM-XQQFMLRXSA-N 1 2 259.353 2.144 20 30 CEEDLO C=CC[N@@H+](Cc1cnc(C(=O)OCC)s1)[C@H](C)COC ZINC000602878631 347236053 /nfs/dbraw/zinc/23/60/53/347236053.db2.gz CLLKDIBGTBICBD-LLVKDONJSA-N 1 2 298.408 2.343 20 30 CEEDLO C=CC[N@H+](Cc1cnc(C(=O)OCC)s1)[C@H](C)COC ZINC000602878631 347236056 /nfs/dbraw/zinc/23/60/56/347236056.db2.gz CLLKDIBGTBICBD-LLVKDONJSA-N 1 2 298.408 2.343 20 30 CEEDLO Cc1[nH]ncc1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000602942267 347253378 /nfs/dbraw/zinc/25/33/78/347253378.db2.gz MYACVJSDRDXVAB-UHFFFAOYSA-N 1 2 297.362 2.050 20 30 CEEDLO Cc1[nH]ncc1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000602942267 347253379 /nfs/dbraw/zinc/25/33/79/347253379.db2.gz MYACVJSDRDXVAB-UHFFFAOYSA-N 1 2 297.362 2.050 20 30 CEEDLO C[N@H+](CC(=O)NCC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602974131 347260018 /nfs/dbraw/zinc/26/00/18/347260018.db2.gz KBCXSGHWAQECLZ-HUUCEWRRSA-N 1 2 277.412 2.307 20 30 CEEDLO C[N@@H+](CC(=O)NCC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602974131 347260027 /nfs/dbraw/zinc/26/00/27/347260027.db2.gz KBCXSGHWAQECLZ-HUUCEWRRSA-N 1 2 277.412 2.307 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000602976805 347262253 /nfs/dbraw/zinc/26/22/53/347262253.db2.gz SZHGIIRADPCIPL-DGCLKSJQSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000602976805 347262256 /nfs/dbraw/zinc/26/22/56/347262256.db2.gz SZHGIIRADPCIPL-DGCLKSJQSA-N 1 2 276.336 2.499 20 30 CEEDLO C[N@H+](Cc1cc(CO)ccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602981387 347264857 /nfs/dbraw/zinc/26/48/57/347264857.db2.gz CDDZZKSOWGJBIK-SWLSCSKDSA-N 1 2 262.328 2.442 20 30 CEEDLO C[N@@H+](Cc1cc(CO)ccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602981387 347264859 /nfs/dbraw/zinc/26/48/59/347264859.db2.gz CDDZZKSOWGJBIK-SWLSCSKDSA-N 1 2 262.328 2.442 20 30 CEEDLO C[N@H+](Cc1cc(CO)ccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602981385 347265130 /nfs/dbraw/zinc/26/51/30/347265130.db2.gz CDDZZKSOWGJBIK-DOMZBBRYSA-N 1 2 262.328 2.442 20 30 CEEDLO C[N@@H+](Cc1cc(CO)ccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602981385 347265134 /nfs/dbraw/zinc/26/51/34/347265134.db2.gz CDDZZKSOWGJBIK-DOMZBBRYSA-N 1 2 262.328 2.442 20 30 CEEDLO Cc1cc(N)nc(S[C@H](C#N)Cc2ccccc2)[nH+]1 ZINC000603504177 347376856 /nfs/dbraw/zinc/37/68/56/347376856.db2.gz WXEDXDDZNCPYQH-LBPRGKRZSA-N 1 2 270.361 2.425 20 30 CEEDLO N#Cc1ccsc1NC(=O)CCCn1cc[nH+]c1 ZINC000604528062 347420371 /nfs/dbraw/zinc/42/03/71/347420371.db2.gz JLCPJYSBGWLRIE-UHFFFAOYSA-N 1 2 260.322 2.235 20 30 CEEDLO Cc1nc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1C#N ZINC000339298522 215076551 /nfs/dbraw/zinc/07/65/51/215076551.db2.gz YKCVUQZPTRFDIA-UHFFFAOYSA-N 1 2 277.287 2.162 20 30 CEEDLO C=CC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607145687 347509709 /nfs/dbraw/zinc/50/97/09/347509709.db2.gz RZNPYXOZCXNYDA-UHFFFAOYSA-N 1 2 255.325 2.065 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000609545504 347642642 /nfs/dbraw/zinc/64/26/42/347642642.db2.gz RDLLIACNGFDYIM-CMPLNLGQSA-N 1 2 277.755 2.337 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000610762909 347712970 /nfs/dbraw/zinc/71/29/70/347712970.db2.gz DNKVICREDLOROX-LBPRGKRZSA-N 1 2 292.404 2.128 20 30 CEEDLO CCc1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611387912 347771700 /nfs/dbraw/zinc/77/17/00/347771700.db2.gz VKNKNSHQNNPECX-JTQLQIEISA-N 1 2 256.309 2.354 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610969976 347726037 /nfs/dbraw/zinc/72/60/37/347726037.db2.gz OMALZNYUNPMODO-UHFFFAOYSA-N 1 2 293.326 2.165 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000611432020 347779280 /nfs/dbraw/zinc/77/92/80/347779280.db2.gz KDUDGXUDVTYGGN-GOSISDBHSA-N 1 2 299.393 2.343 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008652 347732104 /nfs/dbraw/zinc/73/21/04/347732104.db2.gz FYSYEZNDRBVQIL-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c[nH]nc2C1 ZINC000611008652 347732105 /nfs/dbraw/zinc/73/21/05/347732105.db2.gz FYSYEZNDRBVQIL-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008652 347732106 /nfs/dbraw/zinc/73/21/06/347732106.db2.gz FYSYEZNDRBVQIL-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000611008652 347732108 /nfs/dbraw/zinc/73/21/08/347732108.db2.gz FYSYEZNDRBVQIL-NSHDSACASA-N 1 2 252.321 2.401 20 30 CEEDLO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000611268705 347760937 /nfs/dbraw/zinc/76/09/37/347760937.db2.gz GDZBUVGAXPMWNQ-DAXSKMNVSA-N 1 2 289.335 2.470 20 30 CEEDLO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000611268705 347760940 /nfs/dbraw/zinc/76/09/40/347760940.db2.gz GDZBUVGAXPMWNQ-DAXSKMNVSA-N 1 2 289.335 2.470 20 30 CEEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1F ZINC000611502635 347786435 /nfs/dbraw/zinc/78/64/35/347786435.db2.gz WOPBWVHVEZWVPK-RISCZKNCSA-N 1 2 275.327 2.177 20 30 CEEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1F ZINC000611502635 347786438 /nfs/dbraw/zinc/78/64/38/347786438.db2.gz WOPBWVHVEZWVPK-RISCZKNCSA-N 1 2 275.327 2.177 20 30 CEEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155498 347850810 /nfs/dbraw/zinc/85/08/10/347850810.db2.gz UMHWOGANNHSQKB-ZBFHGGJFSA-N 1 2 277.412 2.259 20 30 CEEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155498 347850814 /nfs/dbraw/zinc/85/08/14/347850814.db2.gz UMHWOGANNHSQKB-ZBFHGGJFSA-N 1 2 277.412 2.259 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163506 347851915 /nfs/dbraw/zinc/85/19/15/347851915.db2.gz RIOXHPDXXQZLTM-UKRRQHHQSA-N 1 2 263.385 2.013 20 30 CEEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163506 347851918 /nfs/dbraw/zinc/85/19/18/347851918.db2.gz RIOXHPDXXQZLTM-UKRRQHHQSA-N 1 2 263.385 2.013 20 30 CEEDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162623 347852357 /nfs/dbraw/zinc/85/23/57/347852357.db2.gz PTOUBSVLRIRGHH-UKRRQHHQSA-N 1 2 265.401 2.163 20 30 CEEDLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162623 347852359 /nfs/dbraw/zinc/85/23/59/347852359.db2.gz PTOUBSVLRIRGHH-UKRRQHHQSA-N 1 2 265.401 2.163 20 30 CEEDLO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1nnc2ccccn21 ZINC000612463188 347890296 /nfs/dbraw/zinc/89/02/96/347890296.db2.gz APGXPSSGICHEOJ-CYBMUJFWSA-N 1 2 269.352 2.320 20 30 CEEDLO Cn1nc(C[NH2+]C[C@H](C#N)CCC#N)c2ccccc21 ZINC000612674550 347915775 /nfs/dbraw/zinc/91/57/75/347915775.db2.gz HHXXBELYWNFSPI-LBPRGKRZSA-N 1 2 267.336 2.106 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000614164709 348152932 /nfs/dbraw/zinc/15/29/32/348152932.db2.gz STQYCSMSQKHZJO-UHFFFAOYSA-N 1 2 291.782 2.442 20 30 CEEDLO N#Cc1cc(Cl)ccc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000614164709 348152935 /nfs/dbraw/zinc/15/29/35/348152935.db2.gz STQYCSMSQKHZJO-UHFFFAOYSA-N 1 2 291.782 2.442 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000614405678 348194408 /nfs/dbraw/zinc/19/44/08/348194408.db2.gz BNYQZZHZGSJCHK-KRWDZBQOSA-N 1 2 288.391 2.493 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000614405678 348194411 /nfs/dbraw/zinc/19/44/11/348194411.db2.gz BNYQZZHZGSJCHK-KRWDZBQOSA-N 1 2 288.391 2.493 20 30 CEEDLO Cc1[nH+]c2ccccn2c1COc1cccnc1C#N ZINC000357095853 233005517 /nfs/dbraw/zinc/00/55/17/233005517.db2.gz BTZWCKWUANFKAY-UHFFFAOYSA-N 1 2 264.288 2.488 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000617778398 348788760 /nfs/dbraw/zinc/78/87/60/348788760.db2.gz FPMKNTYTVAYBOZ-ZIAGYGMSSA-N 1 2 273.380 2.260 20 30 CEEDLO C=CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H](C)COC ZINC000617584443 348745374 /nfs/dbraw/zinc/74/53/74/348745374.db2.gz CDXBAHZCQPUOJR-CYBMUJFWSA-N 1 2 287.363 2.306 20 30 CEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000408160653 260331779 /nfs/dbraw/zinc/33/17/79/260331779.db2.gz WRJJSYRSSBWQTE-CJNGLKHVSA-N 1 2 290.411 2.055 20 30 CEEDLO C=CCC1(NC(=O)Cc2cn3ccccc3[nH+]2)CCOCC1 ZINC000618246668 348905974 /nfs/dbraw/zinc/90/59/74/348905974.db2.gz UEEFLVANULEOAG-UHFFFAOYSA-N 1 2 299.374 2.118 20 30 CEEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000619073160 349110400 /nfs/dbraw/zinc/11/04/00/349110400.db2.gz ITZIBSJRNQSFKB-UHFFFAOYSA-N 1 2 274.324 2.032 20 30 CEEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000619073160 349110404 /nfs/dbraw/zinc/11/04/04/349110404.db2.gz ITZIBSJRNQSFKB-UHFFFAOYSA-N 1 2 274.324 2.032 20 30 CEEDLO C=CCC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000619108043 349120107 /nfs/dbraw/zinc/12/01/07/349120107.db2.gz NTVSYHGZWUXSPU-ZDUSSCGKSA-N 1 2 273.380 2.451 20 30 CEEDLO C=C[C@@H]([NH2+]CCC1Cc2ccccc2C1)C(=O)OC ZINC000619703953 349224847 /nfs/dbraw/zinc/22/48/47/349224847.db2.gz VOHZFNSEXZPFHZ-OAHLLOKOSA-N 1 2 259.349 2.109 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1cccc(C)c1 ZINC000619716032 349225893 /nfs/dbraw/zinc/22/58/93/349225893.db2.gz KUBFNGJJPIFXBA-AWEZNQCLSA-N 1 2 263.337 2.033 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1cccc(C)c1 ZINC000619716032 349225897 /nfs/dbraw/zinc/22/58/97/349225897.db2.gz KUBFNGJJPIFXBA-AWEZNQCLSA-N 1 2 263.337 2.033 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(=O)OC ZINC000619845943 349239778 /nfs/dbraw/zinc/23/97/78/349239778.db2.gz YVNGFKJAPOFNQD-VXGBXAGGSA-N 1 2 257.374 2.002 20 30 CEEDLO C=CC[C@@H](C)[C@H](C)[NH2+]C(c1nccn1C)c1nccn1C ZINC000624082936 350187624 /nfs/dbraw/zinc/18/76/24/350187624.db2.gz WKEKWQMXTMTMLR-OLZOCXBDSA-N 1 2 287.411 2.433 20 30 CEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000521063439 260341624 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C[N@H+](Cc1cccs1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360060073 371501564 /nfs/dbraw/zinc/50/15/64/371501564.db2.gz KVVLEBIPGVHZSQ-AWEZNQCLSA-N 1 2 285.372 2.278 20 30 CEEDLO C[N@@H+](Cc1cccs1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360060073 371501569 /nfs/dbraw/zinc/50/15/69/371501569.db2.gz KVVLEBIPGVHZSQ-AWEZNQCLSA-N 1 2 285.372 2.278 20 30 CEEDLO CC#CCCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000361242993 371735091 /nfs/dbraw/zinc/73/50/91/371735091.db2.gz HTIQTBDSYHMADH-UHFFFAOYSA-N 1 2 284.363 2.057 20 30 CEEDLO CCC[C@@](C)([NH2+]Cc1ccc(OCC#N)cc1)C(=O)OC ZINC000264638376 372000197 /nfs/dbraw/zinc/00/01/97/372000197.db2.gz UNTMBKLXMAMZEZ-MRXNPFEDSA-N 1 2 290.363 2.410 20 30 CEEDLO CC(C)[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000264795935 372005006 /nfs/dbraw/zinc/00/50/06/372005006.db2.gz SKVDGHRGTFOWSE-CQSZACIVSA-N 1 2 268.320 2.150 20 30 CEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc3c(c2)CCC3)nn1 ZINC000641091177 372308003 /nfs/dbraw/zinc/30/80/03/372308003.db2.gz PJBYOPJVQMMYCY-AWEZNQCLSA-N 1 2 294.402 2.489 20 30 CEEDLO CC#CC[NH2+]Cc1cn(CCC(C)(C)C2CC2)nn1 ZINC000641181943 372373476 /nfs/dbraw/zinc/37/34/76/372373476.db2.gz IIJSWLZMGODNQZ-UHFFFAOYSA-N 1 2 260.385 2.217 20 30 CEEDLO C=C(Cl)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000269649089 372517056 /nfs/dbraw/zinc/51/70/56/372517056.db2.gz PZYGCCNSBGKBGQ-UHFFFAOYSA-N 1 2 273.833 2.238 20 30 CEEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)o1 ZINC000271032841 373081258 /nfs/dbraw/zinc/08/12/58/373081258.db2.gz IXXYWIKWSMTCIU-UHFFFAOYSA-N 1 2 271.320 2.062 20 30 CEEDLO C#CCCC[NH2+][C@](CC)(C(=O)OC)c1ccccc1 ZINC000271049505 373090477 /nfs/dbraw/zinc/09/04/77/373090477.db2.gz PHHIISUANYZGLC-INIZCTEOSA-N 1 2 259.349 2.468 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367026251 373133850 /nfs/dbraw/zinc/13/38/50/373133850.db2.gz LAVIKOOITWGMCW-CZUORRHYSA-N 1 2 276.355 2.248 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367026251 373133858 /nfs/dbraw/zinc/13/38/58/373133858.db2.gz 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/nfs/dbraw/zinc/27/97/46/374279746.db2.gz GILUBWAZTPVVOX-QGZVFWFLSA-N 1 2 281.359 2.470 20 30 CEEDLO COC(=O)[C@H](C)[N@H+](CC#Cc1ccccc1)C1CCC1 ZINC000276692886 374268394 /nfs/dbraw/zinc/26/83/94/374268394.db2.gz AMLRWCZBZFMHOI-AWEZNQCLSA-N 1 2 271.360 2.454 20 30 CEEDLO COC(=O)[C@H](C)[N@@H+](CC#Cc1ccccc1)C1CCC1 ZINC000276692886 374268399 /nfs/dbraw/zinc/26/83/99/374268399.db2.gz AMLRWCZBZFMHOI-AWEZNQCLSA-N 1 2 271.360 2.454 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276621420 374239739 /nfs/dbraw/zinc/23/97/39/374239739.db2.gz OBZXHEHSJIUKFI-VXGBXAGGSA-N 1 2 265.357 2.204 20 30 CEEDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1OC ZINC000276914907 374345093 /nfs/dbraw/zinc/34/50/93/374345093.db2.gz QUNRZOJFMIATSL-OKILXGFUSA-N 1 2 280.755 2.057 20 30 CEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1OC ZINC000276914907 374345097 /nfs/dbraw/zinc/34/50/97/374345097.db2.gz QUNRZOJFMIATSL-OKILXGFUSA-N 1 2 280.755 2.057 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277232649 374447279 /nfs/dbraw/zinc/44/72/79/374447279.db2.gz OVQZFILTEXURES-XEKQOVJPSA-N 1 2 276.405 2.462 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277232649 374447284 /nfs/dbraw/zinc/44/72/84/374447284.db2.gz OVQZFILTEXURES-XEKQOVJPSA-N 1 2 276.405 2.462 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000278238082 374757358 /nfs/dbraw/zinc/75/73/58/374757358.db2.gz ALOJEAYKFTYUKZ-BXUZGUMPSA-N 1 2 271.320 2.254 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1C ZINC000279925288 375032624 /nfs/dbraw/zinc/03/26/24/375032624.db2.gz WKZJERDHCOTFCZ-MRXNPFEDSA-N 1 2 290.407 2.176 20 30 CEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c1C ZINC000279925288 375032625 /nfs/dbraw/zinc/03/26/25/375032625.db2.gz WKZJERDHCOTFCZ-MRXNPFEDSA-N 1 2 290.407 2.176 20 30 CEEDLO Cn1cc[nH+]c1-c1cccc(CNc2ccc(C#N)cn2)c1 ZINC000378413641 375096060 /nfs/dbraw/zinc/09/60/60/375096060.db2.gz 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O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CC=CCC1 ZINC000328617365 376865024 /nfs/dbraw/zinc/86/50/24/376865024.db2.gz UDUHRYYAYNJJMN-STQMWFEESA-N 1 2 274.368 2.373 20 30 CEEDLO C[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328620729 376865036 /nfs/dbraw/zinc/86/50/36/376865036.db2.gz XCKGIMIEOFGJFC-VXGBXAGGSA-N 1 2 262.357 2.159 20 30 CEEDLO CC(C)(C(=O)N[C@H]1CCOC2(CCC2)C1)[NH+]1CCOCC1 ZINC000328701885 376881625 /nfs/dbraw/zinc/88/16/25/376881625.db2.gz WWYAILCFHMBONC-ZDUSSCGKSA-N 1 2 296.411 2.155 20 30 CEEDLO Cc1cc(C[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)[nH]n1 ZINC000328957174 376927814 /nfs/dbraw/zinc/92/78/14/376927814.db2.gz PGCOUOHFHVPNSU-JQWIXIFHSA-N 1 2 287.367 2.065 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000328952837 376928000 /nfs/dbraw/zinc/92/80/00/376928000.db2.gz NYNARCSZTFGOQK-ABAIWWIYSA-N 1 2 283.331 2.227 20 30 CEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000328952837 376928012 /nfs/dbraw/zinc/92/80/12/376928012.db2.gz 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377080787 /nfs/dbraw/zinc/08/07/87/377080787.db2.gz QBWBTMHIOPBVQH-CHWSQXEVSA-N 1 2 276.384 2.234 20 30 CEEDLO CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426531253 377415419 /nfs/dbraw/zinc/41/54/19/377415419.db2.gz HEZLXIYIOGWFGD-UHFFFAOYSA-N 1 2 268.320 2.248 20 30 CEEDLO COCCO[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428301266 377488627 /nfs/dbraw/zinc/48/86/27/377488627.db2.gz OMWZNYZSVVPKJG-CQSZACIVSA-N 1 2 292.354 2.325 20 30 CEEDLO COCCO[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428301266 377488635 /nfs/dbraw/zinc/48/86/35/377488635.db2.gz OMWZNYZSVVPKJG-CQSZACIVSA-N 1 2 292.354 2.325 20 30 CEEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429700988 377519664 /nfs/dbraw/zinc/51/96/64/377519664.db2.gz STGALNVQEYERCX-HLLBOEOZSA-N 1 2 284.407 2.452 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000565178640 377591761 /nfs/dbraw/zinc/59/17/61/377591761.db2.gz RALUHNWWTOXZEK-GFCCVEGCSA-N 1 2 282.347 2.119 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000565178640 377591763 /nfs/dbraw/zinc/59/17/63/377591763.db2.gz RALUHNWWTOXZEK-GFCCVEGCSA-N 1 2 282.347 2.119 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000565185952 377594679 /nfs/dbraw/zinc/59/46/79/377594679.db2.gz QRMSTALNILOUCR-JMSVASOKSA-N 1 2 274.368 2.177 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000565185952 377594687 /nfs/dbraw/zinc/59/46/87/377594687.db2.gz QRMSTALNILOUCR-JMSVASOKSA-N 1 2 274.368 2.177 20 30 CEEDLO Cc1ccccc1CNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433295299 377784217 /nfs/dbraw/zinc/78/42/17/377784217.db2.gz OUPUUQSJBFSNJV-UHFFFAOYSA-N 1 2 273.380 2.093 20 30 CEEDLO Cc1ccccc1CNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433295299 377784226 /nfs/dbraw/zinc/78/42/26/377784226.db2.gz OUPUUQSJBFSNJV-UHFFFAOYSA-N 1 2 273.380 2.093 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC#N)cc1 ZINC000566431950 377760041 /nfs/dbraw/zinc/76/00/41/377760041.db2.gz 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Cc1c(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)nc2ccccc12 ZINC000295512512 378191747 /nfs/dbraw/zinc/19/17/47/378191747.db2.gz LQWQEBXDQNUNEY-ZDUSSCGKSA-N 1 2 296.374 2.157 20 30 CEEDLO C=CC[N@@H+](CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000449020441 378195668 /nfs/dbraw/zinc/19/56/68/378195668.db2.gz ZHKXFQDRQJLNSO-INIZCTEOSA-N 1 2 293.432 2.213 20 30 CEEDLO C=CC[N@H+](CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000449020441 378195673 /nfs/dbraw/zinc/19/56/73/378195673.db2.gz ZHKXFQDRQJLNSO-INIZCTEOSA-N 1 2 293.432 2.213 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C(=O)OC ZINC000449297020 378200341 /nfs/dbraw/zinc/20/03/41/378200341.db2.gz BCAVVBUPCGSDDE-VXGBXAGGSA-N 1 2 257.374 2.145 20 30 CEEDLO C=CCC1(C(=O)N2CC[NH+](CCOCC)CC2)CCCC1 ZINC000449859380 378237084 /nfs/dbraw/zinc/23/70/84/378237084.db2.gz WASQLJXKDGJNQC-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C#C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C(C)C ZINC000297083193 378664694 /nfs/dbraw/zinc/66/46/94/378664694.db2.gz XBOWMBBRWNTUJU-QWHCGFSZSA-N 1 2 288.395 2.170 20 30 CEEDLO C#CCn1ccc(CN(CC)c2[nH]c3ccccc3[nH+]2)n1 ZINC000278581310 194053857 /nfs/dbraw/zinc/05/38/57/194053857.db2.gz CRGLWTAEMZVMGX-UHFFFAOYSA-N 1 2 279.347 2.419 20 30 CEEDLO C=CCN(Cc1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC000278822661 194171742 /nfs/dbraw/zinc/17/17/42/194171742.db2.gz JBQBXXJTBVJSHD-UHFFFAOYSA-N 1 2 269.348 2.475 20 30 CEEDLO N#CC1(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000518581682 379395574 /nfs/dbraw/zinc/39/55/74/379395574.db2.gz MFNHWJFMSACZNT-UHFFFAOYSA-N 1 2 294.358 2.476 20 30 CEEDLO N#Cc1cc(Sc2[nH+]cc3ccccn32)ncn1 ZINC000518625541 379398628 /nfs/dbraw/zinc/39/86/28/379398628.db2.gz FNBTWIHBSISHHM-UHFFFAOYSA-N 1 2 253.290 2.147 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000266890167 190287748 /nfs/dbraw/zinc/28/77/48/190287748.db2.gz CPNPVIFVOLJWGA-SNVBAGLBSA-N 1 2 265.744 2.017 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000266890167 190287749 /nfs/dbraw/zinc/28/77/49/190287749.db2.gz CPNPVIFVOLJWGA-SNVBAGLBSA-N 1 2 265.744 2.017 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000266898802 190288987 /nfs/dbraw/zinc/28/89/87/190288987.db2.gz FZMAIYDAMIZUKR-UHFFFAOYSA-N 1 2 280.755 2.242 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000266898802 190288988 /nfs/dbraw/zinc/28/89/88/190288988.db2.gz FZMAIYDAMIZUKR-UHFFFAOYSA-N 1 2 280.755 2.242 20 30 CEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc2c1N=S=N2 ZINC000266962986 190293764 /nfs/dbraw/zinc/29/37/64/190293764.db2.gz XEEGPEFLGOHYDU-UHFFFAOYSA-N 1 2 274.349 2.307 20 30 CEEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc2c1N=S=N2 ZINC000266962986 190293765 /nfs/dbraw/zinc/29/37/65/190293765.db2.gz XEEGPEFLGOHYDU-UHFFFAOYSA-N 1 2 274.349 2.307 20 30 CEEDLO C=CCNC(=O)C[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528795578 380103427 /nfs/dbraw/zinc/10/34/27/380103427.db2.gz WIPFGIGSQXGDAW-UHFFFAOYSA-N 1 2 298.308 2.366 20 30 CEEDLO C=CCNC(=O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528795578 380103432 /nfs/dbraw/zinc/10/34/32/380103432.db2.gz WIPFGIGSQXGDAW-UHFFFAOYSA-N 1 2 298.308 2.366 20 30 CEEDLO C#CC[N@H+](Cc1csc(-c2ncccn2)n1)C1CC1 ZINC000491315983 380303033 /nfs/dbraw/zinc/30/30/33/380303033.db2.gz RJUMOZUMZYONSC-UHFFFAOYSA-N 1 2 270.361 2.198 20 30 CEEDLO C#CC[N@@H+](Cc1csc(-c2ncccn2)n1)C1CC1 ZINC000491315983 380303036 /nfs/dbraw/zinc/30/30/36/380303036.db2.gz RJUMOZUMZYONSC-UHFFFAOYSA-N 1 2 270.361 2.198 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000334457594 380439333 /nfs/dbraw/zinc/43/93/33/380439333.db2.gz PKZQCYGWDQGYFU-LBPRGKRZSA-N 1 2 288.244 2.196 20 30 CEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000334457594 380439337 /nfs/dbraw/zinc/43/93/37/380439337.db2.gz PKZQCYGWDQGYFU-LBPRGKRZSA-N 1 2 288.244 2.196 20 30 CEEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000492631214 380635676 /nfs/dbraw/zinc/63/56/76/380635676.db2.gz KGQBDSIQLNKUST-ZPIQOJFGSA-N 1 2 274.368 2.361 20 30 CEEDLO 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/nfs/dbraw/zinc/14/00/60/395140060.db2.gz NJWAVYIHDJOHKA-QGZVFWFLSA-N 1 2 291.354 2.143 20 30 CEEDLO CC[C@@](C)([NH2+]Cc1ccc(CC#N)cc1)C(=O)OC ZINC000428306038 395145177 /nfs/dbraw/zinc/14/51/77/395145177.db2.gz NULWJVXOGBEHFO-OAHLLOKOSA-N 1 2 260.337 2.184 20 30 CEEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1O ZINC000348709461 395150057 /nfs/dbraw/zinc/15/00/57/395150057.db2.gz BKESGOROGFAZRA-UHFFFAOYSA-N 1 2 264.300 2.228 20 30 CEEDLO N#Cc1ccc(O[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000291795789 395161449 /nfs/dbraw/zinc/16/14/49/395161449.db2.gz JFEHQZMJLAWGPF-ZDUSSCGKSA-N 1 2 266.304 2.006 20 30 CEEDLO Cc1cc(N2CCOC3(CCOCC3)CC2)c(C#N)c[nH+]1 ZINC000515416238 395175904 /nfs/dbraw/zinc/17/59/04/395175904.db2.gz SZLDJBFUIYGMOR-UHFFFAOYSA-N 1 2 287.363 2.038 20 30 CEEDLO N#Cc1ccc(CNc2cccc(CO)[nH+]2)c(F)c1 ZINC000432749390 395177644 /nfs/dbraw/zinc/17/76/44/395177644.db2.gz XYFQSHFUVXVVTC-UHFFFAOYSA-N 1 2 257.268 2.197 20 30 CEEDLO C=C(C)CC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000351730185 395232673 /nfs/dbraw/zinc/23/26/73/395232673.db2.gz MDADZRPXIFGYLT-LBPRGKRZSA-N 1 2 250.367 2.187 20 30 CEEDLO C=C(C)CC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000351730185 395232676 /nfs/dbraw/zinc/23/26/76/395232676.db2.gz MDADZRPXIFGYLT-LBPRGKRZSA-N 1 2 250.367 2.187 20 30 CEEDLO Cc1cc(Cl)cc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000351259038 395197273 /nfs/dbraw/zinc/19/72/73/395197273.db2.gz HOSAINRGWZYLSV-UHFFFAOYSA-N 1 2 263.772 2.290 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(OCCC)c1 ZINC000293042038 395215909 /nfs/dbraw/zinc/21/59/09/395215909.db2.gz HBNGJJHEQFNLPJ-UHFFFAOYSA-N 1 2 288.391 2.047 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(OCCC)c1 ZINC000293042038 395215913 /nfs/dbraw/zinc/21/59/13/395215913.db2.gz HBNGJJHEQFNLPJ-UHFFFAOYSA-N 1 2 288.391 2.047 20 30 CEEDLO C=CCC(F)(F)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293057860 395218174 /nfs/dbraw/zinc/21/81/74/395218174.db2.gz OSKRKJLTCQASTK-JTQLQIEISA-N 1 2 269.295 2.327 20 30 CEEDLO C=C(C)C[N@H+](CC(=O)N1CCC1)Cc1cnn(C(C)C)c1 ZINC000352941744 395281389 /nfs/dbraw/zinc/28/13/89/395281389.db2.gz CWYIQMURCIWKMX-UHFFFAOYSA-N 1 2 290.411 2.074 20 30 CEEDLO C=C(C)C[N@@H+](CC(=O)N1CCC1)Cc1cnn(C(C)C)c1 ZINC000352941744 395281393 /nfs/dbraw/zinc/28/13/93/395281393.db2.gz CWYIQMURCIWKMX-UHFFFAOYSA-N 1 2 290.411 2.074 20 30 CEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411277681 395325404 /nfs/dbraw/zinc/32/54/04/395325404.db2.gz OOPMFTLKIRTGEF-UHFFFAOYSA-N 1 2 290.323 2.159 20 30 CEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411277681 395325409 /nfs/dbraw/zinc/32/54/09/395325409.db2.gz OOPMFTLKIRTGEF-UHFFFAOYSA-N 1 2 290.323 2.159 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000186316457 395289095 /nfs/dbraw/zinc/28/90/95/395289095.db2.gz SIRAKYPSZRLMSZ-HNNXBMFYSA-N 1 2 281.363 2.332 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000186316457 395289099 /nfs/dbraw/zinc/28/90/99/395289099.db2.gz SIRAKYPSZRLMSZ-HNNXBMFYSA-N 1 2 281.363 2.332 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000411338341 395326579 /nfs/dbraw/zinc/32/65/79/395326579.db2.gz WTMFNWMUELXTCX-MNOVXSKESA-N 1 2 263.307 2.247 20 30 CEEDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C#N)c1Cl)C1CC1 ZINC000521925219 395256974 /nfs/dbraw/zinc/25/69/74/395256974.db2.gz DMIQJCCMIOVLRS-GFCCVEGCSA-N 1 2 287.754 2.325 20 30 CEEDLO COc1cc(C#N)ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352484772 395260259 /nfs/dbraw/zinc/26/02/59/395260259.db2.gz TUARJZZDNNELQN-UHFFFAOYSA-N 1 2 273.311 2.395 20 30 CEEDLO N#Cc1csc(C[NH2+]Cc2ccnc(OC(F)F)c2)n1 ZINC000352861708 395272987 /nfs/dbraw/zinc/27/29/87/395272987.db2.gz JWQKHCPIADOOEN-UHFFFAOYSA-N 1 2 296.302 2.301 20 30 CEEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000192229332 395376958 /nfs/dbraw/zinc/37/69/58/395376958.db2.gz VSTUSIRBNAWBJB-OAHLLOKOSA-N 1 2 270.376 2.282 20 30 CEEDLO C#CC[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000192229332 395376961 /nfs/dbraw/zinc/37/69/61/395376961.db2.gz VSTUSIRBNAWBJB-OAHLLOKOSA-N 1 2 270.376 2.282 20 30 CEEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411485550 395330506 /nfs/dbraw/zinc/33/05/06/395330506.db2.gz BGIRKGKPTJQSTR-NSHDSACASA-N 1 2 260.341 2.498 20 30 CEEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411485550 395330511 /nfs/dbraw/zinc/33/05/11/395330511.db2.gz BGIRKGKPTJQSTR-NSHDSACASA-N 1 2 260.341 2.498 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411869286 395340191 /nfs/dbraw/zinc/34/01/91/395340191.db2.gz DUMFCSZXTRJOSR-GDBMZVCRSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411869286 395340197 /nfs/dbraw/zinc/34/01/97/395340197.db2.gz DUMFCSZXTRJOSR-GDBMZVCRSA-N 1 2 294.439 2.300 20 30 CEEDLO Cc1cc(C[NH2+]Cc2nnc3n2CCCCC3)ccc1C#N ZINC000443975241 395407830 /nfs/dbraw/zinc/40/78/30/395407830.db2.gz YYEGXQBZRRNCJN-UHFFFAOYSA-N 1 2 295.390 2.474 20 30 CEEDLO CC[N@@H+](Cc1cc2c(cc1OC)OCO2)C[C@@H](C)C#N ZINC000355391547 395432293 /nfs/dbraw/zinc/43/22/93/395432293.db2.gz ZFVRRDANUNOFSJ-NSHDSACASA-N 1 2 276.336 2.405 20 30 CEEDLO CC[N@H+](Cc1cc2c(cc1OC)OCO2)C[C@@H](C)C#N ZINC000355391547 395432295 /nfs/dbraw/zinc/43/22/95/395432295.db2.gz ZFVRRDANUNOFSJ-NSHDSACASA-N 1 2 276.336 2.405 20 30 CEEDLO C=CCN(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000573018101 395598037 /nfs/dbraw/zinc/59/80/37/395598037.db2.gz ZMWKQUVLLMEDBS-VIFPVBQESA-N 1 2 275.274 2.101 20 30 CEEDLO CC(C)(C#N)CC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000568183230 395550386 /nfs/dbraw/zinc/55/03/86/395550386.db2.gz NPWQKRIWTHPIAZ-UHFFFAOYSA-N 1 2 257.337 2.381 20 30 CEEDLO CC(C)(C#N)CC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000568183230 395550388 /nfs/dbraw/zinc/55/03/88/395550388.db2.gz NPWQKRIWTHPIAZ-UHFFFAOYSA-N 1 2 257.337 2.381 20 30 CEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(F)c1 ZINC000570812899 395583672 /nfs/dbraw/zinc/58/36/72/395583672.db2.gz FFPBAQPVRDTNBF-ZYHUDNBSSA-N 1 2 263.316 2.435 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnnn1Cc1ccccc1 ZINC000572338646 395586101 /nfs/dbraw/zinc/58/61/01/395586101.db2.gz LUBNERVHANRRSE-HNNXBMFYSA-N 1 2 283.379 2.262 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnnn1Cc1ccccc1 ZINC000572338646 395586103 /nfs/dbraw/zinc/58/61/03/395586103.db2.gz LUBNERVHANRRSE-HNNXBMFYSA-N 1 2 283.379 2.262 20 30 CEEDLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(CCC#N)CC1 ZINC000572875034 395592041 /nfs/dbraw/zinc/59/20/41/395592041.db2.gz XKIPRUYZQIKADY-LLVKDONJSA-N 1 2 274.372 2.085 20 30 CEEDLO C[N@H+](CCCn1cc[nH+]c1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459383142 395666215 /nfs/dbraw/zinc/66/62/15/395666215.db2.gz FLDVBEJRYDBSQF-UHFFFAOYSA-N 1 2 299.334 2.185 20 30 CEEDLO CN(CCCn1cc[nH+]c1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459383142 395666217 /nfs/dbraw/zinc/66/62/17/395666217.db2.gz FLDVBEJRYDBSQF-UHFFFAOYSA-N 1 2 299.334 2.185 20 30 CEEDLO C=C[C@H](O)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000646716769 396371530 /nfs/dbraw/zinc/37/15/30/396371530.db2.gz BGESXEXBCIMPDJ-HNNXBMFYSA-N 1 2 297.358 2.372 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000650078442 400794885 /nfs/dbraw/zinc/79/48/85/400794885.db2.gz CNSBQWUELQWNAB-CYBMUJFWSA-N 1 2 273.380 2.451 20 30 CEEDLO N#Cc1cnc(NCc2ccc(N)[nH+]c2)c(Cl)c1 ZINC000189964881 153113865 /nfs/dbraw/zinc/11/38/65/153113865.db2.gz USXBEYVXUZNUGU-UHFFFAOYSA-N 1 2 259.700 2.196 20 30 CEEDLO COC(=O)C[N@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000192089490 153201941 /nfs/dbraw/zinc/20/19/41/153201941.db2.gz DPYWLTJWRWJKGU-UHFFFAOYSA-N 1 2 264.300 2.081 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000192089490 153201947 /nfs/dbraw/zinc/20/19/47/153201947.db2.gz DPYWLTJWRWJKGU-UHFFFAOYSA-N 1 2 264.300 2.081 20 30 CEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCC(F)(F)C2)c1 ZINC000313292240 154209519 /nfs/dbraw/zinc/20/95/19/154209519.db2.gz LPTREJJNRZJOEW-UHFFFAOYSA-N 1 2 279.290 2.228 20 30 CEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC(F)(F)C2)c1 ZINC000313292240 154209526 /nfs/dbraw/zinc/20/95/26/154209526.db2.gz LPTREJJNRZJOEW-UHFFFAOYSA-N 1 2 279.290 2.228 20 30 CEEDLO Cc1cc(C#N)ccc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000357942775 154409775 /nfs/dbraw/zinc/40/97/75/154409775.db2.gz FTHZEKLWRKMPOA-UHFFFAOYSA-N 1 2 279.303 2.241 20 30 CEEDLO CC(C)c1nnc(C[NH2+]Cc2cc(C#N)n(C)c2)s1 ZINC000359723855 155123710 /nfs/dbraw/zinc/12/37/10/155123710.db2.gz SCFCIOFVRKGOQH-UHFFFAOYSA-N 1 2 275.381 2.161 20 30 CEEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375002518 157035094 /nfs/dbraw/zinc/03/50/94/157035094.db2.gz CRQQKNDGRLAVLT-CQSZACIVSA-N 1 2 282.347 2.497 20 30 CEEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375002518 157035097 /nfs/dbraw/zinc/03/50/97/157035097.db2.gz CRQQKNDGRLAVLT-CQSZACIVSA-N 1 2 282.347 2.497 20 30 CEEDLO N#Cc1cccc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000376028941 157176945 /nfs/dbraw/zinc/17/69/45/157176945.db2.gz MFHVQSQAYXHZRF-UHFFFAOYSA-N 1 2 282.318 2.401 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2cc(C)nc2C1 ZINC000376287068 157207024 /nfs/dbraw/zinc/20/70/24/157207024.db2.gz SZMXKQHWJPZJDQ-UHFFFAOYSA-N 1 2 282.347 2.088 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2cc(C)nc2C1 ZINC000376287068 157207026 /nfs/dbraw/zinc/20/70/26/157207026.db2.gz SZMXKQHWJPZJDQ-UHFFFAOYSA-N 1 2 282.347 2.088 20 30 CEEDLO Cc1cc(C#N)cc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000376394752 157219026 /nfs/dbraw/zinc/21/90/26/157219026.db2.gz KMWCSMAGHOBHDV-AWEZNQCLSA-N 1 2 279.347 2.348 20 30 CEEDLO CC[C@@H]1CC[C@H](C)N1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330308915 287111060 /nfs/dbraw/zinc/11/10/60/287111060.db2.gz TVRGKLFBFBRBRY-YNEHKIRRSA-N 1 2 276.384 2.375 20 30 CEEDLO CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330308915 287111062 /nfs/dbraw/zinc/11/10/62/287111062.db2.gz TVRGKLFBFBRBRY-YNEHKIRRSA-N 1 2 276.384 2.375 20 30 CEEDLO C=CCCn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000653482220 415010764 /nfs/dbraw/zinc/01/07/64/415010764.db2.gz CTUXKZCESODSEP-UHFFFAOYSA-N 1 2 297.406 2.176 20 30 CEEDLO C=CCCn1cc(C[NH2+]CCc2ccc3cn[nH]c3c2)nn1 ZINC000657459729 414948324 /nfs/dbraw/zinc/94/83/24/414948324.db2.gz DGSAOGIAYMVPDA-UHFFFAOYSA-N 1 2 296.378 2.063 20 30 CEEDLO C=CC[N@H+](Cc1nc(C(C)C)no1)[C@H](C)COC ZINC000661246968 415157681 /nfs/dbraw/zinc/15/76/81/415157681.db2.gz MJTMTHKICVWBDS-LLVKDONJSA-N 1 2 253.346 2.216 20 30 CEEDLO C=CC[N@@H+](Cc1nc(C(C)C)no1)[C@H](C)COC ZINC000661246968 415157683 /nfs/dbraw/zinc/15/76/83/415157683.db2.gz MJTMTHKICVWBDS-LLVKDONJSA-N 1 2 253.346 2.216 20 30 CEEDLO C=C(C)CCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663965073 415104440 /nfs/dbraw/zinc/10/44/40/415104440.db2.gz ADMLEUZNYZDZGW-UHFFFAOYSA-N 1 2 276.384 2.206 20 30 CEEDLO C=C(C)CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663965073 415104443 /nfs/dbraw/zinc/10/44/43/415104443.db2.gz ADMLEUZNYZDZGW-UHFFFAOYSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CCOCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000658205540 415256678 /nfs/dbraw/zinc/25/66/78/415256678.db2.gz ILLSLDCZOSKHGQ-LBPRGKRZSA-N 1 2 278.381 2.138 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822407 415487628 /nfs/dbraw/zinc/48/76/28/415487628.db2.gz IKFCGNYKQDSWHC-LSDHHAIUSA-N 1 2 285.391 2.251 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC(C)(C)[C@H]2c2cccnc2)C1=O ZINC000664822407 415487632 /nfs/dbraw/zinc/48/76/32/415487632.db2.gz IKFCGNYKQDSWHC-LSDHHAIUSA-N 1 2 285.391 2.251 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1c(F)cccc1Br ZINC000662168827 415666923 /nfs/dbraw/zinc/66/69/23/415666923.db2.gz WWSHQMAKEBNSCI-MRVPVSSYSA-N 1 2 274.133 2.225 20 30 CEEDLO Cn1cc[nH+]c1CNc1nc2c(cc1C#N)CCCC2 ZINC000071274304 176105502 /nfs/dbraw/zinc/10/55/02/176105502.db2.gz SROQOKMXQUGKIV-UHFFFAOYSA-N 1 2 267.336 2.178 20 30 CEEDLO C=CC[C@@H](Cc1ccccc1)n1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656457268 415714499 /nfs/dbraw/zinc/71/44/99/415714499.db2.gz IVKOOMLXJQESHS-RDJZCZTQSA-N 1 2 298.390 2.299 20 30 CEEDLO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C#N)CCC#N ZINC000078542155 177352040 /nfs/dbraw/zinc/35/20/40/177352040.db2.gz FHOMHRJAMDRJLD-HNNXBMFYSA-N 1 2 252.321 2.434 20 30 CEEDLO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](C#N)CCC#N ZINC000078542155 177352042 /nfs/dbraw/zinc/35/20/42/177352042.db2.gz FHOMHRJAMDRJLD-HNNXBMFYSA-N 1 2 252.321 2.434 20 30 CEEDLO C=CCCO[C@H](C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000078596641 177357677 /nfs/dbraw/zinc/35/76/77/177357677.db2.gz JXECSFGWNFUECX-CYBMUJFWSA-N 1 2 287.363 2.240 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000347397830 226146642 /nfs/dbraw/zinc/14/66/42/226146642.db2.gz ZGMLTUQDXZLTBN-QWHCGFSZSA-N 1 2 296.798 2.480 20 30 CEEDLO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000347397830 226146646 /nfs/dbraw/zinc/14/66/46/226146646.db2.gz ZGMLTUQDXZLTBN-QWHCGFSZSA-N 1 2 296.798 2.480 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2scnc2C2CC2)[N@H+](C)C1 ZINC000329040689 227268543 /nfs/dbraw/zinc/26/85/43/227268543.db2.gz OHGNEXYHHCPMCC-UWVGGRQHSA-N 1 2 281.381 2.328 20 30 CEEDLO CO[C@H]1C[C@@H](C(=O)Nc2scnc2C2CC2)[N@@H+](C)C1 ZINC000329040689 227268546 /nfs/dbraw/zinc/26/85/46/227268546.db2.gz OHGNEXYHHCPMCC-UWVGGRQHSA-N 1 2 281.381 2.328 20 30 CEEDLO CCn1c[nH+]cc1CN1CC(Oc2ccc(C#N)cc2)C1 ZINC000418087778 228022996 /nfs/dbraw/zinc/02/29/96/228022996.db2.gz IDTQGDLIMFCZGS-UHFFFAOYSA-N 1 2 282.347 2.038 20 30 CEEDLO N#CC[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000355992528 228078542 /nfs/dbraw/zinc/07/85/42/228078542.db2.gz ROAQIFNCJWDKOB-AWEZNQCLSA-N 1 2 282.347 2.156 20 30 CEEDLO Cc1ccc(Cc2noc(-c3cc(C#N)c[nH]3)n2)c[nH+]1 ZINC000356108032 228124052 /nfs/dbraw/zinc/12/40/52/228124052.db2.gz IHGBJXUEYPEBLA-UHFFFAOYSA-N 1 2 265.276 2.231 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331793546 228128607 /nfs/dbraw/zinc/12/86/07/228128607.db2.gz QJFVTKXOTOSRFK-ONGXEEELSA-N 1 2 285.307 2.253 20 30 CEEDLO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](C)C#N)c1O ZINC000050144400 260206857 /nfs/dbraw/zinc/20/68/57/260206857.db2.gz DTUSTDBMLLVKAB-SECBINFHSA-N 1 2 264.300 2.325 20 30 CEEDLO N#CC[N@@H+](CCn1cc(Cl)cn1)C1CCCC1 ZINC000312883902 260217471 /nfs/dbraw/zinc/21/74/71/260217471.db2.gz LHOMBRZZFLUGSY-UHFFFAOYSA-N 1 2 252.749 2.305 20 30 CEEDLO N#CC[N@H+](CCn1cc(Cl)cn1)C1CCCC1 ZINC000312883902 260217472 /nfs/dbraw/zinc/21/74/72/260217472.db2.gz LHOMBRZZFLUGSY-UHFFFAOYSA-N 1 2 252.749 2.305 20 30 CEEDLO CCOc1ccc(O)c(/C=[NH+]/CCCN2CCOC2=O)c1 ZINC000077165995 260295432 /nfs/dbraw/zinc/29/54/32/260295432.db2.gz CXBQWGIGYJMXDY-LFIBNONCSA-N 1 2 292.335 2.052 20 30 CEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000157678718 260855639 /nfs/dbraw/zinc/85/56/39/260855639.db2.gz AMUALUGDPRMXEI-OLZOCXBDSA-N 1 2 291.370 2.312 20 30 CEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000157678718 260855640 /nfs/dbraw/zinc/85/56/40/260855640.db2.gz AMUALUGDPRMXEI-OLZOCXBDSA-N 1 2 291.370 2.312 20 30 CEEDLO C#C[C@@H](CCC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000491254724 261391111 /nfs/dbraw/zinc/39/11/11/261391111.db2.gz UNHMXTDBACNREW-AWEZNQCLSA-N 1 2 259.353 2.300 20 30 CEEDLO COCCCCCO[NH+]=C(N)COc1ccccc1 ZINC000174096664 261557160 /nfs/dbraw/zinc/55/71/60/261557160.db2.gz IFKMZKPMDOUSIP-UHFFFAOYSA-N 1 2 266.341 2.171 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccn(C)n1 ZINC000459777381 269879618 /nfs/dbraw/zinc/87/96/18/269879618.db2.gz DSHQITJVBLRXJG-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)CCC1 ZINC000365061206 262276826 /nfs/dbraw/zinc/27/68/26/262276826.db2.gz GCSABZYYRHESKZ-CYBMUJFWSA-N 1 2 273.380 2.369 20 30 CEEDLO CC(C)(C#N)CCN1CC[NH+](Cc2ccco2)CC1 ZINC000272062697 263001882 /nfs/dbraw/zinc/00/18/82/263001882.db2.gz WXFKGGLWYVKBHQ-UHFFFAOYSA-N 1 2 261.369 2.337 20 30 CEEDLO CCOc1cccc(/C=[NH+]/CCC(C)(C)O)c1O ZINC000274783895 263030332 /nfs/dbraw/zinc/03/03/32/263030332.db2.gz LRIITVIFNMVLNF-XNTDXEJSSA-N 1 2 251.326 2.371 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+](CCC#N)CC(CC)CC)C1=O ZINC000282072991 263074148 /nfs/dbraw/zinc/07/41/48/263074148.db2.gz TUHMJIKILZYTRT-HNNXBMFYSA-N 1 2 277.412 2.425 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](CCC#N)CC(CC)CC)C1=O ZINC000282072991 263074149 /nfs/dbraw/zinc/07/41/49/263074149.db2.gz TUHMJIKILZYTRT-HNNXBMFYSA-N 1 2 277.412 2.425 20 30 CEEDLO Cc1ccc(C)c(OCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283877565 263084555 /nfs/dbraw/zinc/08/45/55/263084555.db2.gz CRAQPFMKLSLPPQ-CYBMUJFWSA-N 1 2 278.352 2.150 20 30 CEEDLO NC(=[NH+]OCc1cc(-c2ccccc2)on1)[C@@H]1CCCO1 ZINC000284086430 263085787 /nfs/dbraw/zinc/08/57/87/263085787.db2.gz KTBZBDOUKWGONJ-ZDUSSCGKSA-N 1 2 287.319 2.309 20 30 CEEDLO NC(=[NH+]OCc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000284544144 263087441 /nfs/dbraw/zinc/08/74/41/263087441.db2.gz VRGCTZXHSJJARS-LLVKDONJSA-N 1 2 254.717 2.308 20 30 CEEDLO COC(=O)[C@@H]([NH2+]CCCCC#N)c1ccc2c(c1)CCO2 ZINC000289317259 263109084 /nfs/dbraw/zinc/10/90/84/263109084.db2.gz JQGXENHOTJEHHZ-HNNXBMFYSA-N 1 2 288.347 2.119 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000292690298 263133792 /nfs/dbraw/zinc/13/37/92/263133792.db2.gz BKAXEXDPFCKSPK-UHFFFAOYSA-N 1 2 281.363 2.384 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000292690298 263133793 /nfs/dbraw/zinc/13/37/93/263133793.db2.gz BKAXEXDPFCKSPK-UHFFFAOYSA-N 1 2 281.363 2.384 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000342004013 263375941 /nfs/dbraw/zinc/37/59/41/263375941.db2.gz YEUMKLBLBFHLMB-UHFFFAOYSA-N 1 2 287.338 2.450 20 30 CEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000330820768 264047119 /nfs/dbraw/zinc/04/71/19/264047119.db2.gz HDOWZTLRHLKZBE-GWCFXTLKSA-N 1 2 261.300 2.046 20 30 CEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(F)c1 ZINC000330865776 264057418 /nfs/dbraw/zinc/05/74/18/264057418.db2.gz XMNGIQPYUYLHNO-WDMOLILDSA-N 1 2 275.327 2.435 20 30 CEEDLO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCS2)c[nH+]1 ZINC000330933192 264096734 /nfs/dbraw/zinc/09/67/34/264096734.db2.gz ZTROFUWDLFWGPW-LBPRGKRZSA-N 1 2 294.424 2.047 20 30 CEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000330974454 264101047 /nfs/dbraw/zinc/10/10/47/264101047.db2.gz HAQWWVATGVZWDW-ROKHWSDSSA-N 1 2 265.401 2.305 20 30 CEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000330974454 264101049 /nfs/dbraw/zinc/10/10/49/264101049.db2.gz HAQWWVATGVZWDW-ROKHWSDSSA-N 1 2 265.401 2.305 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)NC(C)(C)CCO)cc2n1C ZINC000331066358 264112173 /nfs/dbraw/zinc/11/21/73/264112173.db2.gz QAZOIZHJJBQBFU-UHFFFAOYSA-N 1 2 275.352 2.347 20 30 CEEDLO C=CCCn1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)nn1 ZINC000425422182 264313049 /nfs/dbraw/zinc/31/30/49/264313049.db2.gz WZZIKAIWWIVDAX-UHFFFAOYSA-N 1 2 285.351 2.427 20 30 CEEDLO CCCCn1nnnc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000521212732 269987031 /nfs/dbraw/zinc/98/70/31/269987031.db2.gz PDLXXPIMNMSYIA-GFCCVEGCSA-N 1 2 284.367 2.196 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000285126460 264554629 /nfs/dbraw/zinc/55/46/29/264554629.db2.gz QHFJPZRSHPEOKC-HNNXBMFYSA-N 1 2 296.374 2.117 20 30 CEEDLO C#CCCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000294273672 265009011 /nfs/dbraw/zinc/00/90/11/265009011.db2.gz SDHUBEMRDYSDIB-UHFFFAOYSA-N 1 2 297.358 2.105 20 30 CEEDLO C=C[C@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000356405083 266109126 /nfs/dbraw/zinc/10/91/26/266109126.db2.gz YMIUHOAMSYLXND-QMMMGPOBSA-N 1 2 279.290 2.314 20 30 CEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1 ZINC000356477737 266122177 /nfs/dbraw/zinc/12/21/77/266122177.db2.gz PHTCOSWMMGGPHI-KBPBESRZSA-N 1 2 273.380 2.173 20 30 CEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccccc1 ZINC000356477737 266122180 /nfs/dbraw/zinc/12/21/80/266122180.db2.gz PHTCOSWMMGGPHI-KBPBESRZSA-N 1 2 273.380 2.173 20 30 CEEDLO CC#CCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356665787 266156786 /nfs/dbraw/zinc/15/67/86/266156786.db2.gz HGHQVKNNUGKQLG-LBPRGKRZSA-N 1 2 273.380 2.168 20 30 CEEDLO CC#CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356665787 266156789 /nfs/dbraw/zinc/15/67/89/266156789.db2.gz HGHQVKNNUGKQLG-LBPRGKRZSA-N 1 2 273.380 2.168 20 30 CEEDLO CC(=O)c1ccc(C#N)c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450790452 266845376 /nfs/dbraw/zinc/84/53/76/266845376.db2.gz KTEAHZYOMAYYMQ-IYBDPMFKSA-N 1 2 299.374 2.036 20 30 CEEDLO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450790452 266845381 /nfs/dbraw/zinc/84/53/81/266845381.db2.gz KTEAHZYOMAYYMQ-IYBDPMFKSA-N 1 2 299.374 2.036 20 30 CEEDLO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000363173691 267078101 /nfs/dbraw/zinc/07/81/01/267078101.db2.gz KALWQDSLPZOREL-JKSUJKDBSA-N 1 2 285.391 2.236 20 30 CEEDLO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000363173691 267078105 /nfs/dbraw/zinc/07/81/05/267078105.db2.gz KALWQDSLPZOREL-JKSUJKDBSA-N 1 2 285.391 2.236 20 30 CEEDLO CCOC(=O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428454559 267115337 /nfs/dbraw/zinc/11/53/37/267115337.db2.gz ICPFKAGSHZWBPT-UHFFFAOYSA-N 1 2 290.338 2.472 20 30 CEEDLO C[NH+](C)Cc1csc(NC(=O)c2ccc(C#N)s2)n1 ZINC000457312159 267284436 /nfs/dbraw/zinc/28/44/36/267284436.db2.gz LEZVCZKEEOWSBC-UHFFFAOYSA-N 1 2 292.389 2.390 20 30 CEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000459371556 267311278 /nfs/dbraw/zinc/31/12/78/267311278.db2.gz IJLZKPDRXDCNHR-DOMZBBRYSA-N 1 2 289.335 2.059 20 30 CEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000459371556 267311280 /nfs/dbraw/zinc/31/12/80/267311280.db2.gz IJLZKPDRXDCNHR-DOMZBBRYSA-N 1 2 289.335 2.059 20 30 CEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCCCC#N ZINC000371388404 267397080 /nfs/dbraw/zinc/39/70/80/267397080.db2.gz MVOJCCNOUPPHOA-CQSZACIVSA-N 1 2 276.384 2.104 20 30 CEEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCCCC#N ZINC000371388404 267397082 /nfs/dbraw/zinc/39/70/82/267397082.db2.gz MVOJCCNOUPPHOA-CQSZACIVSA-N 1 2 276.384 2.104 20 30 CEEDLO Cc1c([C@@H]2CCC[N@@H+]2C[C@@H](C#N)CCC#N)cnn1C ZINC000371377509 267397494 /nfs/dbraw/zinc/39/74/94/267397494.db2.gz CTVONNAKKABAKQ-HIFRSBDPSA-N 1 2 271.368 2.309 20 30 CEEDLO Cc1c([C@@H]2CCC[N@H+]2C[C@@H](C#N)CCC#N)cnn1C ZINC000371377509 267397496 /nfs/dbraw/zinc/39/74/96/267397496.db2.gz CTVONNAKKABAKQ-HIFRSBDPSA-N 1 2 271.368 2.309 20 30 CEEDLO Cc1cc(NC[C@](C)(CO)c2ccccc2)c(C#N)c[nH+]1 ZINC000425249798 267950657 /nfs/dbraw/zinc/95/06/57/267950657.db2.gz DEXDFUGDVVDLFA-QGZVFWFLSA-N 1 2 281.359 2.046 20 30 CEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789106 268164251 /nfs/dbraw/zinc/16/42/51/268164251.db2.gz PVXBATZMJCQOKL-MTJIALIYSA-N 1 2 292.379 2.183 20 30 CEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789106 268164253 /nfs/dbraw/zinc/16/42/53/268164253.db2.gz PVXBATZMJCQOKL-MTJIALIYSA-N 1 2 292.379 2.183 20 30 CEEDLO N#Cc1cccc(C#N)c1N1CC[NH+](Cc2ccco2)CC1 ZINC000436268452 268270408 /nfs/dbraw/zinc/27/04/08/268270408.db2.gz UIHIPVLWDYCQGM-UHFFFAOYSA-N 1 2 292.342 2.345 20 30 CEEDLO N#Cc1cccc(NCC(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452759920 268281818 /nfs/dbraw/zinc/28/18/18/268281818.db2.gz USNVGZBHXPLOTN-UHFFFAOYSA-N 1 2 295.346 2.142 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000459391344 268291193 /nfs/dbraw/zinc/29/11/93/268291193.db2.gz PPNZJSAMIATOAW-YPMHNXCESA-N 1 2 257.293 2.451 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000459391344 268291196 /nfs/dbraw/zinc/29/11/96/268291196.db2.gz PPNZJSAMIATOAW-YPMHNXCESA-N 1 2 257.293 2.451 20 30 CEEDLO CC(C)=CC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000336508231 277325135 /nfs/dbraw/zinc/32/51/35/277325135.db2.gz ITDHHJAIOZBLGX-GUYCJALGSA-N 1 2 281.359 2.298 20 30 CEEDLO CC(C)=CC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000336508231 277325136 /nfs/dbraw/zinc/32/51/36/277325136.db2.gz ITDHHJAIOZBLGX-GUYCJALGSA-N 1 2 281.359 2.298 20 30 CEEDLO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329734069 288937491 /nfs/dbraw/zinc/93/74/91/288937491.db2.gz KCDSEWCWCMLONB-NHYWBVRUSA-N 1 2 298.346 2.135 20 30 CEEDLO CCN(CC)c1ccc(Nc2ccncc2C#N)c[nH+]1 ZINC000547361633 298364895 /nfs/dbraw/zinc/36/48/95/298364895.db2.gz ACWRWZCPRBFIAY-UHFFFAOYSA-N 1 2 267.336 2.360 20 30 CEEDLO N#CCCCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874888784 649864263 /nfs/dbraw/zinc/86/42/63/649864263.db2.gz QSYOBGXIWQPHCU-OAHLLOKOSA-N 1 2 289.354 2.383 20 30 CEEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174351167 312689274 /nfs/dbraw/zinc/68/92/74/312689274.db2.gz UFWRYSRQIRQBQJ-UHFFFAOYSA-N 1 2 287.275 2.358 20 30 CEEDLO COc1cccc(CO[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000183157642 327817994 /nfs/dbraw/zinc/81/79/94/327817994.db2.gz GFMUKTQZSVRTOB-UHFFFAOYSA-N 1 2 291.376 2.492 20 30 CEEDLO C#CC[N@@H+](CC)Cc1cnc(Br)s1 ZINC000289963891 328133337 /nfs/dbraw/zinc/13/33/37/328133337.db2.gz ITXBMJXBNSQZSB-UHFFFAOYSA-N 1 2 259.172 2.361 20 30 CEEDLO C#CC[N@H+](CC)Cc1cnc(Br)s1 ZINC000289963891 328133339 /nfs/dbraw/zinc/13/33/39/328133339.db2.gz ITXBMJXBNSQZSB-UHFFFAOYSA-N 1 2 259.172 2.361 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)CSCc1ccccc1 ZINC000414097049 328152486 /nfs/dbraw/zinc/15/24/86/328152486.db2.gz MXEHCQUQWMBZQL-CQSZACIVSA-N 1 2 264.394 2.126 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSCc1ccccc1 ZINC000414097049 328152487 /nfs/dbraw/zinc/15/24/87/328152487.db2.gz MXEHCQUQWMBZQL-CQSZACIVSA-N 1 2 264.394 2.126 20 30 CEEDLO COCC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCC1 ZINC000283930403 328245314 /nfs/dbraw/zinc/24/53/14/328245314.db2.gz VSKWCRIXYVKRJK-VIZOYTHASA-N 1 2 265.309 2.039 20 30 CEEDLO C#Cc1ccc(C[NH2+]C(C)(C)c2noc(C)n2)cc1 ZINC000289265350 328254370 /nfs/dbraw/zinc/25/43/70/328254370.db2.gz MZJKQIGUPCHLSW-UHFFFAOYSA-N 1 2 255.321 2.384 20 30 CEEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000292400377 328269806 /nfs/dbraw/zinc/26/98/06/328269806.db2.gz SZDAXYMXEDHZSL-OAHLLOKOSA-N 1 2 277.368 2.074 20 30 CEEDLO Cc1ccoc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000292400377 328269809 /nfs/dbraw/zinc/26/98/09/328269809.db2.gz SZDAXYMXEDHZSL-OAHLLOKOSA-N 1 2 277.368 2.074 20 30 CEEDLO CN1CC[N@H+](C)[C@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000581041788 322364565 /nfs/dbraw/zinc/36/45/65/322364565.db2.gz BDBJIEWRNMYJPA-LLVKDONJSA-N 1 2 294.349 2.154 20 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265.316 2.217 20 30 CEEDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584176119 327058783 /nfs/dbraw/zinc/05/87/83/327058783.db2.gz WQIANAMZLMCTIP-OAHLLOKOSA-N 1 2 289.335 2.467 20 30 CEEDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584176119 327058785 /nfs/dbraw/zinc/05/87/85/327058785.db2.gz WQIANAMZLMCTIP-OAHLLOKOSA-N 1 2 289.335 2.467 20 30 CEEDLO N#C[C@H]1CC[C@H]([N@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000584181482 327060915 /nfs/dbraw/zinc/06/09/15/327060915.db2.gz ZJXVXXJVWZKWTI-AAEUAGOBSA-N 1 2 255.321 2.133 20 30 CEEDLO N#C[C@H]1CC[C@H]([N@@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000584181482 327060917 /nfs/dbraw/zinc/06/09/17/327060917.db2.gz ZJXVXXJVWZKWTI-AAEUAGOBSA-N 1 2 255.321 2.133 20 30 CEEDLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000584241193 327125025 /nfs/dbraw/zinc/12/50/25/327125025.db2.gz FQWNJFRXPLRJJP-MRXNPFEDSA-N 1 2 297.402 2.394 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C/C=C/c1ccc(F)cc1 ZINC000565052084 327423496 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329138753 /nfs/dbraw/zinc/13/87/53/329138753.db2.gz YGRUJJLTKRUMKG-OAHLLOKOSA-N 1 2 272.392 2.397 20 30 CEEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000184459014 329260594 /nfs/dbraw/zinc/26/05/94/329260594.db2.gz SPGFEDAIPKDACR-CABCVRRESA-N 1 2 291.395 2.484 20 30 CEEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000184459014 329260595 /nfs/dbraw/zinc/26/05/95/329260595.db2.gz SPGFEDAIPKDACR-CABCVRRESA-N 1 2 291.395 2.484 20 30 CEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000132578259 329647534 /nfs/dbraw/zinc/64/75/34/329647534.db2.gz QHYFKGDVMJLLBF-XJKCOSOUSA-N 1 2 286.379 2.034 20 30 CEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000572378869 330020534 /nfs/dbraw/zinc/02/05/34/330020534.db2.gz VANZMGXNKYBPOR-HNNXBMFYSA-N 1 2 258.365 2.434 20 30 CEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000572378869 330020536 /nfs/dbraw/zinc/02/05/36/330020536.db2.gz VANZMGXNKYBPOR-HNNXBMFYSA-N 1 2 258.365 2.434 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278778214 330118274 /nfs/dbraw/zinc/11/82/74/330118274.db2.gz UWYDBGLEPDSKPE-BFHYXJOUSA-N 1 2 289.379 2.097 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000533268427 330355840 /nfs/dbraw/zinc/35/58/40/330355840.db2.gz BRAYADFCXKFDPI-LBPRGKRZSA-N 1 2 272.352 2.223 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000533268427 330355841 /nfs/dbraw/zinc/35/58/41/330355841.db2.gz BRAYADFCXKFDPI-LBPRGKRZSA-N 1 2 272.352 2.223 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CCCSC1)C(=O)OCC ZINC000449659967 330942775 /nfs/dbraw/zinc/94/27/75/330942775.db2.gz WTIQZVBMCIYIKF-NEPJUHHUSA-N 1 2 257.399 2.370 20 30 CEEDLO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OCC ZINC000449661425 330942826 /nfs/dbraw/zinc/94/28/26/330942826.db2.gz ZVFCJBGHZKNVQN-UPJWGTAASA-N 1 2 250.342 2.166 20 30 CEEDLO C=CCCOCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450409099 330976989 /nfs/dbraw/zinc/97/69/89/330976989.db2.gz 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/nfs/dbraw/zinc/23/76/03/331237603.db2.gz JNPUHOCUWXEMIV-UHFFFAOYSA-N 1 2 299.378 2.334 20 30 CEEDLO CC(C)(CC#N)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000457997653 331240269 /nfs/dbraw/zinc/24/02/69/331240269.db2.gz WDVILERNOIRFJK-UHFFFAOYSA-N 1 2 256.309 2.004 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)c1c[nH]c2ncccc12 ZINC000459462124 331282611 /nfs/dbraw/zinc/28/26/11/331282611.db2.gz JZAZPDAWSYLTFC-MISXGVKJSA-N 1 2 282.347 2.416 20 30 CEEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459463456 331282871 /nfs/dbraw/zinc/28/28/71/331282871.db2.gz MFSXBCRNCQVMRN-RWMBFGLXSA-N 1 2 287.363 2.304 20 30 CEEDLO C=C(CNC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1 ZINC000488895377 332032405 /nfs/dbraw/zinc/03/24/05/332032405.db2.gz HTVFHXRVDUAWKC-UHFFFAOYSA-N 1 2 255.321 2.090 20 30 CEEDLO C=C(CNC(=O)Cc1[nH+]c[nH]c1C)c1ccccc1 ZINC000488895377 332032407 /nfs/dbraw/zinc/03/24/07/332032407.db2.gz HTVFHXRVDUAWKC-UHFFFAOYSA-N 1 2 255.321 2.090 20 30 CEEDLO C=CCN(C)c1[nH+]cnc2c1cnn2-c1ccccc1 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ZINC000491764451 332333229 /nfs/dbraw/zinc/33/32/29/332333229.db2.gz AOYYCBVDYLAFGN-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000491764451 332333230 /nfs/dbraw/zinc/33/32/30/332333230.db2.gz AOYYCBVDYLAFGN-JTQLQIEISA-N 1 2 250.729 2.232 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000491776098 332341180 /nfs/dbraw/zinc/34/11/80/332341180.db2.gz YNDSAQHRCZPKHQ-UHFFFAOYSA-N 1 2 285.391 2.099 20 30 CEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000491776098 332341181 /nfs/dbraw/zinc/34/11/81/332341181.db2.gz YNDSAQHRCZPKHQ-UHFFFAOYSA-N 1 2 285.391 2.099 20 30 CEEDLO C#CCn1ccc(CN(CC)c2[nH+]c3ccccc3n2C)n1 ZINC000491779807 332344478 /nfs/dbraw/zinc/34/44/78/332344478.db2.gz JNOFPLFOEJQKJS-UHFFFAOYSA-N 1 2 293.374 2.430 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000491792829 332353212 /nfs/dbraw/zinc/35/32/12/332353212.db2.gz HPAMSDDXDYYYOB-IAQYHMDHSA-N 1 2 285.322 2.218 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000491792829 332353213 /nfs/dbraw/zinc/35/32/13/332353213.db2.gz HPAMSDDXDYYYOB-IAQYHMDHSA-N 1 2 285.322 2.218 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)C(C)C)cc1)C1CC1 ZINC000491810692 332363302 /nfs/dbraw/zinc/36/33/02/332363302.db2.gz JXJGBGDQYZRXDU-UHFFFAOYSA-N 1 2 291.416 2.466 20 30 CEEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)C(C)C)cc1)C1CC1 ZINC000491810692 332363303 /nfs/dbraw/zinc/36/33/03/332363303.db2.gz JXJGBGDQYZRXDU-UHFFFAOYSA-N 1 2 291.416 2.466 20 30 CEEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492790801 332413622 /nfs/dbraw/zinc/41/36/22/332413622.db2.gz MMKQWJHOTNYLFF-GFCCVEGCSA-N 1 2 267.373 2.231 20 30 CEEDLO Cc1c[nH+]c2cc(C(=O)NCC3(CC#N)CC3)ccn12 ZINC000522012891 333230233 /nfs/dbraw/zinc/23/02/33/333230233.db2.gz ZNESWQVNYDZVNA-UHFFFAOYSA-N 1 2 268.320 2.066 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000192221001 333232623 /nfs/dbraw/zinc/23/26/23/333232623.db2.gz HKGWABVIIHRCCO-JTQLQIEISA-N 1 2 273.361 2.188 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000192221001 333232624 /nfs/dbraw/zinc/23/26/24/333232624.db2.gz HKGWABVIIHRCCO-JTQLQIEISA-N 1 2 273.361 2.188 20 30 CEEDLO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(CC#N)CC2)c1 ZINC000541023984 333759638 /nfs/dbraw/zinc/75/96/38/333759638.db2.gz UFDHRLMIPAEMBY-UHFFFAOYSA-N 1 2 299.374 2.453 20 30 CEEDLO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H](C)C#N ZINC000549377960 334191782 /nfs/dbraw/zinc/19/17/82/334191782.db2.gz NFBZTUXRFKSQMG-NSHDSACASA-N 1 2 269.352 2.133 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C/C=C/c1cccc(F)c1 ZINC000565604172 334578699 /nfs/dbraw/zinc/57/86/99/334578699.db2.gz PMVIRHJXRYBIHM-BIENSFFJSA-N 1 2 289.354 2.189 20 30 CEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000566428481 334648219 /nfs/dbraw/zinc/64/82/19/334648219.db2.gz HAFARGPZOHUKQE-LLVKDONJSA-N 1 2 290.392 2.457 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(C)c1ccccc1 ZINC000568181316 334801115 /nfs/dbraw/zinc/80/11/15/334801115.db2.gz POLLMPKXQUZOSH-OLZOCXBDSA-N 1 2 259.353 2.320 20 30 CEEDLO Cc1cc(CNC(=O)C2(C#N)CC(C)C2)cc(C)[nH+]1 ZINC000578616401 335654168 /nfs/dbraw/zinc/65/41/68/335654168.db2.gz DJTHTKLWJSSSBR-UHFFFAOYSA-N 1 2 257.337 2.255 20 30 CEEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000579360557 335739712 /nfs/dbraw/zinc/73/97/12/335739712.db2.gz FNUHVUDOMAFEOH-BMIGLBTASA-N 1 2 295.333 2.028 20 30 CEEDLO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C#N ZINC000183838323 335909484 /nfs/dbraw/zinc/90/94/84/335909484.db2.gz QRELZGXRFAIFEI-GFCCVEGCSA-N 1 2 254.337 2.430 20 30 CEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1nnnn1-c1ccccc1 ZINC000331483116 533982863 /nfs/dbraw/zinc/98/28/63/533982863.db2.gz FITPQWJEQPWFBF-OUCADQQQSA-N 1 2 282.351 2.005 20 30 CEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000184942795 518634433 /nfs/dbraw/zinc/63/44/33/518634433.db2.gz PTFXNVQZYNBLAE-HNNXBMFYSA-N 1 2 287.407 2.328 20 30 CEEDLO CCC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000365187027 521077385 /nfs/dbraw/zinc/07/73/85/521077385.db2.gz YEZKLUWKIAYGKT-INIZCTEOSA-N 1 2 272.348 2.301 20 30 CEEDLO CCC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000365187027 521077394 /nfs/dbraw/zinc/07/73/94/521077394.db2.gz YEZKLUWKIAYGKT-INIZCTEOSA-N 1 2 272.348 2.301 20 30 CEEDLO C=CCN(CCc1ccco1)C(=O)CCc1[nH]cc[nH+]1 ZINC000355813423 526317106 /nfs/dbraw/zinc/31/71/06/526317106.db2.gz ORNBGBVOMQRDQS-UHFFFAOYSA-N 1 2 273.336 2.193 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000367049100 526625936 /nfs/dbraw/zinc/62/59/36/526625936.db2.gz BWCGDAZUSSIZQF-MLGOLLRUSA-N 1 2 294.345 2.387 20 30 CEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000367049100 526625942 /nfs/dbraw/zinc/62/59/42/526625942.db2.gz BWCGDAZUSSIZQF-MLGOLLRUSA-N 1 2 294.345 2.387 20 30 CEEDLO CC(C)CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330279763 527888190 /nfs/dbraw/zinc/88/81/90/527888190.db2.gz RNLALFWDPQQPNR-LBPRGKRZSA-N 1 2 276.384 2.232 20 30 CEEDLO CC(C)CN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330279763 527888194 /nfs/dbraw/zinc/88/81/94/527888194.db2.gz RNLALFWDPQQPNR-LBPRGKRZSA-N 1 2 276.384 2.232 20 30 CEEDLO CC[N@H+](CC(=O)OC)Cc1cccc(OCCCC#N)c1 ZINC000353284879 527938747 /nfs/dbraw/zinc/93/87/47/527938747.db2.gz FDUZSDMOITWLQG-UHFFFAOYSA-N 1 2 290.363 2.364 20 30 CEEDLO CC[N@@H+](CC(=O)OC)Cc1cccc(OCCCC#N)c1 ZINC000353284879 527938748 /nfs/dbraw/zinc/93/87/48/527938748.db2.gz FDUZSDMOITWLQG-UHFFFAOYSA-N 1 2 290.363 2.364 20 30 CEEDLO CCOC(=O)c1coc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000354646151 528327616 /nfs/dbraw/zinc/32/76/16/528327616.db2.gz HOYNMRIBWXYYMH-GWCFXTLKSA-N 1 2 262.309 2.238 20 30 CEEDLO CC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330199957 529291705 /nfs/dbraw/zinc/29/17/05/529291705.db2.gz WBZZDIAEHOXIKM-OLZOCXBDSA-N 1 2 276.384 2.234 20 30 CEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000726882755 574431570 /nfs/dbraw/zinc/43/15/70/574431570.db2.gz SLQUPXJUFACHQN-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000726882755 574431571 /nfs/dbraw/zinc/43/15/71/574431571.db2.gz SLQUPXJUFACHQN-OAHLLOKOSA-N 1 2 290.338 2.425 20 30 CEEDLO C#Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cn1 ZINC000728821490 574471234 /nfs/dbraw/zinc/47/12/34/574471234.db2.gz HOOSMBNYUQYYRT-UHFFFAOYSA-N 1 2 276.299 2.271 20 30 CEEDLO C#Cc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)nc1 ZINC000728823121 574471329 /nfs/dbraw/zinc/47/13/29/574471329.db2.gz UOOCOECJYSNUFT-UHFFFAOYSA-N 1 2 276.299 2.271 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1F ZINC000730096424 574501380 /nfs/dbraw/zinc/50/13/80/574501380.db2.gz PCGPJEFTOQZWCA-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1F ZINC000730096424 574501382 /nfs/dbraw/zinc/50/13/82/574501382.db2.gz PCGPJEFTOQZWCA-AWEZNQCLSA-N 1 2 260.312 2.170 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000730278742 574513234 /nfs/dbraw/zinc/51/32/34/574513234.db2.gz PBZVTYUVVPFENI-SNPRPXQTSA-N 1 2 286.375 2.117 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000730278742 574513235 /nfs/dbraw/zinc/51/32/35/574513235.db2.gz PBZVTYUVVPFENI-SNPRPXQTSA-N 1 2 286.375 2.117 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000732065484 574611435 /nfs/dbraw/zinc/61/14/35/574611435.db2.gz JVYBIAFBYUXWGD-HNNXBMFYSA-N 1 2 267.332 2.204 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000732065484 574611436 /nfs/dbraw/zinc/61/14/36/574611436.db2.gz JVYBIAFBYUXWGD-HNNXBMFYSA-N 1 2 267.332 2.204 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000732073934 574611872 /nfs/dbraw/zinc/61/18/72/574611872.db2.gz FIBZMASUKSDFDW-OLZOCXBDSA-N 1 2 291.420 2.116 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000732073934 574611873 /nfs/dbraw/zinc/61/18/73/574611873.db2.gz FIBZMASUKSDFDW-OLZOCXBDSA-N 1 2 291.420 2.116 20 30 CEEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nc(C)no1 ZINC000734159502 574703779 /nfs/dbraw/zinc/70/37/79/574703779.db2.gz OTXDHIMSXHKYJD-NSHDSACASA-N 1 2 271.320 2.241 20 30 CEEDLO C=CCCC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000735490116 574759963 /nfs/dbraw/zinc/75/99/63/574759963.db2.gz FVPOBXCARABZOQ-GFCCVEGCSA-N 1 2 263.341 2.287 20 30 CEEDLO C=CCCC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000735490116 574759966 /nfs/dbraw/zinc/75/99/66/574759966.db2.gz FVPOBXCARABZOQ-GFCCVEGCSA-N 1 2 263.341 2.287 20 30 CEEDLO N#Cc1ccc2[nH+]cc(CN=Nc3cncc(Cl)n3)n2c1 ZINC000736430359 574787908 /nfs/dbraw/zinc/78/79/08/574787908.db2.gz XPJAYTIWUYRYQF-UHFFFAOYSA-N 1 2 297.709 2.095 20 30 CEEDLO OCc1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000739411659 574917170 /nfs/dbraw/zinc/91/71/70/574917170.db2.gz PCUFJTNVAPWOOA-UHFFFAOYSA-N 1 2 267.288 2.188 20 30 CEEDLO FC(F)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000740618451 574961662 /nfs/dbraw/zinc/96/16/62/574961662.db2.gz QTWTZQPLSSMSDC-UHFFFAOYSA-N 1 2 250.252 2.061 20 30 CEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000745083867 575132549 /nfs/dbraw/zinc/13/25/49/575132549.db2.gz YVCXWPUTYGHHQQ-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000745083867 575132551 /nfs/dbraw/zinc/13/25/51/575132551.db2.gz YVCXWPUTYGHHQQ-AWEZNQCLSA-N 1 2 276.311 2.225 20 30 CEEDLO COCCON=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000748792314 575196609 /nfs/dbraw/zinc/19/66/09/575196609.db2.gz YDAZYZWOGFEYCA-UHFFFAOYSA-N 1 2 259.309 2.259 20 30 CEEDLO C#CC[NH+](CC#C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000752074391 575304820 /nfs/dbraw/zinc/30/48/20/575304820.db2.gz ALQURKATQZMZAP-UHFFFAOYSA-N 1 2 286.419 2.125 20 30 CEEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000125507364 649925689 /nfs/dbraw/zinc/92/56/89/649925689.db2.gz BPVZVHDRAKXVTB-UHFFFAOYSA-N 1 2 291.307 2.202 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000951704178 612991299 /nfs/dbraw/zinc/99/12/99/612991299.db2.gz GXBNNODQQYVOIY-YOEHRIQHSA-N 1 2 274.408 2.123 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)cc(F)c2)C1 ZINC000952322968 612991606 /nfs/dbraw/zinc/99/16/06/612991606.db2.gz WYURKWSGDZXUPK-UHFFFAOYSA-N 1 2 288.366 2.304 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(F)cccc2F)C1 ZINC000957318744 612991762 /nfs/dbraw/zinc/99/17/62/612991762.db2.gz KRMWHRQTMDRUTH-UHFFFAOYSA-N 1 2 292.329 2.134 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000957364456 612991849 /nfs/dbraw/zinc/99/18/49/612991849.db2.gz ADMWVBLCCOCQHW-UHFFFAOYSA-N 1 2 295.386 2.338 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000949631622 613241122 /nfs/dbraw/zinc/24/11/22/613241122.db2.gz KBGXEXBBCMNYOC-UHFFFAOYSA-N 1 2 294.439 2.302 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC000951549759 613294379 /nfs/dbraw/zinc/29/43/79/613294379.db2.gz AYWXAOSEKYFJOD-MRXNPFEDSA-N 1 2 299.418 2.220 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC000951386987 613294729 /nfs/dbraw/zinc/29/47/29/613294729.db2.gz MORVPEONVQUXNH-CHWSQXEVSA-N 1 2 268.376 2.233 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC000951573563 613295434 /nfs/dbraw/zinc/29/54/34/613295434.db2.gz JHCQOMQRRLXTPU-GOEBONIOSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC000950490293 613295539 /nfs/dbraw/zinc/29/55/39/613295539.db2.gz XIWWMONHHPGGRI-JKSUJKDBSA-N 1 2 294.439 2.300 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cocc2C)C1 ZINC000970282812 613372551 /nfs/dbraw/zinc/37/25/51/613372551.db2.gz YFONOJZOQXJHNQ-NSHDSACASA-N 1 2 282.771 2.391 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000981883609 613373345 /nfs/dbraw/zinc/37/33/45/613373345.db2.gz ZYMHUMCQELLGKM-AAEUAGOBSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000981883609 613373346 /nfs/dbraw/zinc/37/33/46/613373346.db2.gz ZYMHUMCQELLGKM-AAEUAGOBSA-N 1 2 270.804 2.319 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC000981829430 613373751 /nfs/dbraw/zinc/37/37/51/613373751.db2.gz AWCZFUYCTMGGFW-STQMWFEESA-N 1 2 288.794 2.411 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC000981829430 613373752 /nfs/dbraw/zinc/37/37/52/613373752.db2.gz AWCZFUYCTMGGFW-STQMWFEESA-N 1 2 288.794 2.411 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000950051862 613502492 /nfs/dbraw/zinc/50/24/92/613502492.db2.gz XCYKEAXQPMDXFG-QGZVFWFLSA-N 1 2 294.439 2.302 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000949998976 613563212 /nfs/dbraw/zinc/56/32/12/613563212.db2.gz CRHDVXTYEZAAQF-UHFFFAOYSA-N 1 2 284.403 2.013 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)C2Cc3ccccc3C2)C1 ZINC000952334764 613653426 /nfs/dbraw/zinc/65/34/26/613653426.db2.gz KLSWTQDUFDZUIO-UHFFFAOYSA-N 1 2 284.403 2.120 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC000950609534 613653484 /nfs/dbraw/zinc/65/34/84/613653484.db2.gz WBMHKKVLTXPWKK-AWEZNQCLSA-N 1 2 262.397 2.285 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000957627137 613707568 /nfs/dbraw/zinc/70/75/68/613707568.db2.gz FEWBYUXGZFXQFX-UHFFFAOYSA-N 1 2 276.355 2.089 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000948679047 613708665 /nfs/dbraw/zinc/70/86/65/613708665.db2.gz YCZNSGMBFZHXTG-LBPRGKRZSA-N 1 2 272.339 2.142 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000957387304 613711788 /nfs/dbraw/zinc/71/17/88/613711788.db2.gz QFSMVIKWKCQCJR-JKSUJKDBSA-N 1 2 270.376 2.120 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000951556072 613712095 /nfs/dbraw/zinc/71/20/95/613712095.db2.gz PPBLMZRKVFAKFN-CYBMUJFWSA-N 1 2 262.353 2.022 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000956970649 613713414 /nfs/dbraw/zinc/71/34/14/613713414.db2.gz JPOPYUANPDGCCF-GJZGRUSLSA-N 1 2 262.397 2.143 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 ZINC000952383371 613716807 /nfs/dbraw/zinc/71/68/07/613716807.db2.gz ZTEUIHGVJIRSAY-UHFFFAOYSA-N 1 2 299.296 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C=C(C)[C@@H](CC(=O)NCC(C)(C)n1cc[nH+]c1)OCC ZINC000898904850 632640478 /nfs/dbraw/zinc/64/04/78/632640478.db2.gz LEWIGKOMYDYHCR-CYBMUJFWSA-N 1 2 279.384 2.106 20 30 CEEDLO Cn1c[nH+]cc1/C=C/C(=O)c1cnn(C2CCC2)c1 ZINC000899401587 632827372 /nfs/dbraw/zinc/82/73/72/632827372.db2.gz WTTHPTLWVCDIHB-AATRIKPKSA-N 1 2 256.309 2.238 20 30 CEEDLO Nc1ccc(/C=C\C(=O)c2cc3n(n2)CCCC3)c[nH+]1 ZINC000899390815 632829320 /nfs/dbraw/zinc/82/93/20/632829320.db2.gz CSEVVCWHMCRBQC-XQRVVYSFSA-N 1 2 268.320 2.093 20 30 CEEDLO Cc1nc(Cl)cc(N=NC(C)c2ccc(N)[nH+]c2)n1 ZINC000814854946 632908467 /nfs/dbraw/zinc/90/84/67/632908467.db2.gz BJKQJXHVGINDMM-UHFFFAOYSA-N 1 2 276.731 2.252 20 30 CEEDLO Cn1c[nH+]c(CCNc2snc(Cl)c2C#N)c1 ZINC000840326803 632911336 /nfs/dbraw/zinc/91/13/36/632911336.db2.gz ISASEBYBSYBDLB-UHFFFAOYSA-N 1 2 267.745 2.056 20 30 CEEDLO Nc1ncc2c(n1)CCCC2=[NH+]OC1CCCCC1 ZINC000814910513 632923248 /nfs/dbraw/zinc/92/32/48/632923248.db2.gz WFDHVZJNBAHERA-UHFFFAOYSA-N 1 2 260.341 2.449 20 30 CEEDLO 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635516080 /nfs/dbraw/zinc/51/60/80/635516080.db2.gz MABWNRRNROKXFO-RYUDHWBXSA-N 1 2 299.296 2.248 20 30 CEEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000826534031 635778021 /nfs/dbraw/zinc/77/80/21/635778021.db2.gz BXYNTKKGHBODRA-JTQLQIEISA-N 1 2 271.286 2.284 20 30 CEEDLO C#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000826534031 635778022 /nfs/dbraw/zinc/77/80/22/635778022.db2.gz BXYNTKKGHBODRA-JTQLQIEISA-N 1 2 271.286 2.284 20 30 CEEDLO COc1c(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1[N+](=O)[O-] ZINC000827650376 636374487 /nfs/dbraw/zinc/37/44/87/636374487.db2.gz PUZVFQBCTWWGAU-CQSZACIVSA-N 1 2 291.307 2.045 20 30 CEEDLO COc1c(O)c(C[N@H+]2CC[C@](C)(C#N)C2)ccc1[N+](=O)[O-] ZINC000827650376 636374492 /nfs/dbraw/zinc/37/44/92/636374492.db2.gz PUZVFQBCTWWGAU-CQSZACIVSA-N 1 2 291.307 2.045 20 30 CEEDLO C=CC[C@@H]([NH2+]CC1(c2ccccc2OC)CC1)C(=O)OC ZINC000905754859 636443012 /nfs/dbraw/zinc/44/30/12/636443012.db2.gz HZNSMZNUAURERC-CQSZACIVSA-N 1 2 289.375 2.434 20 30 CEEDLO 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ZINC000930135087 641176834 /nfs/dbraw/zinc/17/68/34/641176834.db2.gz KWKTZZRPWCWMAT-MRXNPFEDSA-N 1 2 272.348 2.111 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000846852473 641454767 /nfs/dbraw/zinc/45/47/67/641454767.db2.gz YOGBQRKLBRCYLQ-CQSZACIVSA-N 1 2 256.309 2.348 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000846852473 641454771 /nfs/dbraw/zinc/45/47/71/641454771.db2.gz YOGBQRKLBRCYLQ-CQSZACIVSA-N 1 2 256.309 2.348 20 30 CEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccnc1Cl ZINC000846987397 641510545 /nfs/dbraw/zinc/51/05/45/641510545.db2.gz NBVHVPDSYMSFOQ-UWVGGRQHSA-N 1 2 280.759 2.344 20 30 CEEDLO C#CCOc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000847474410 641670334 /nfs/dbraw/zinc/67/03/34/641670334.db2.gz KVEHFSOVYXOWMJ-GFCCVEGCSA-N 1 2 283.331 2.239 20 30 CEEDLO C#CCOc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000847474410 641670336 /nfs/dbraw/zinc/67/03/36/641670336.db2.gz KVEHFSOVYXOWMJ-GFCCVEGCSA-N 1 2 283.331 2.239 20 30 CEEDLO C#CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000847615065 641705935 /nfs/dbraw/zinc/70/59/35/641705935.db2.gz XYGLBKPIXWWZMY-CJNGLKHVSA-N 1 2 281.359 2.469 20 30 CEEDLO C#CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000847615065 641705937 /nfs/dbraw/zinc/70/59/37/641705937.db2.gz XYGLBKPIXWWZMY-CJNGLKHVSA-N 1 2 281.359 2.469 20 30 CEEDLO CC(=NNCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000848417552 641986264 /nfs/dbraw/zinc/98/62/64/641986264.db2.gz BEOHBJJEYREKLL-UHFFFAOYSA-N 1 2 267.336 2.159 20 30 CEEDLO C(=NNCCCn1cc[nH+]c1)[C@@H]1CCOc2ccccc21 ZINC000848418862 641986902 /nfs/dbraw/zinc/98/69/02/641986902.db2.gz QIGQSNYWLIPULL-AWEZNQCLSA-N 1 2 284.363 2.415 20 30 CEEDLO CCCO[NH+]=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000085259825 642409081 /nfs/dbraw/zinc/40/90/81/642409081.db2.gz HPFIYPWUAXWQOP-UHFFFAOYSA-N 1 2 274.267 2.344 20 30 CEEDLO Cc1[nH]c(CNCc2cc(C#N)ccc2F)[nH+]c1C ZINC000850161143 642599801 /nfs/dbraw/zinc/59/98/01/642599801.db2.gz BZCXUGUICMVRPX-UHFFFAOYSA-N 1 2 258.300 2.327 20 30 CEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccoc2)CC1 ZINC001000444313 642609077 /nfs/dbraw/zinc/60/90/77/642609077.db2.gz NXAIZUDTFHLCMH-UHFFFAOYSA-N 1 2 280.755 2.394 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccoc2)CC1 ZINC001000444313 642609082 /nfs/dbraw/zinc/60/90/82/642609082.db2.gz NXAIZUDTFHLCMH-UHFFFAOYSA-N 1 2 280.755 2.394 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921817298 642678807 /nfs/dbraw/zinc/67/88/07/642678807.db2.gz RXVSIELWPKQVPI-LSDHHAIUSA-N 1 2 297.443 2.141 20 30 CEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cscn2)CC1 ZINC001002434824 642786716 /nfs/dbraw/zinc/78/67/16/642786716.db2.gz OWKDFUABLWDIKN-UHFFFAOYSA-N 1 2 285.800 2.090 20 30 CEEDLO C#CC[C@H]([NH2+][C@@H](C)CCOCc1ccccc1)C(=O)OC ZINC000877583838 650800473 /nfs/dbraw/zinc/80/04/73/650800473.db2.gz UTNYVEGKHCCCCI-HOCLYGCPSA-N 1 2 289.375 2.136 20 30 CEEDLO CCOc1cccc(F)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000877605807 650810181 /nfs/dbraw/zinc/81/01/81/650810181.db2.gz JTSJXYHOYRUVMA-HNNXBMFYSA-N 1 2 278.327 2.075 20 30 CEEDLO CCOc1cccc(F)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000877605807 650810185 /nfs/dbraw/zinc/81/01/85/650810185.db2.gz JTSJXYHOYRUVMA-HNNXBMFYSA-N 1 2 278.327 2.075 20 30 CEEDLO N#Cc1c(F)cccc1N1CC[NH+](CCOC(F)F)CC1 ZINC000851710995 643119471 /nfs/dbraw/zinc/11/94/71/643119471.db2.gz UDQUHSKTSKTNOU-UHFFFAOYSA-N 1 2 299.296 2.059 20 30 CEEDLO C=C(C)[C@@H](CC(=O)OCc1ccc[nH+]c1N)OCC ZINC000922561717 643121558 /nfs/dbraw/zinc/12/15/58/643121558.db2.gz SHVMIZYYMLKMRB-GFCCVEGCSA-N 1 2 264.325 2.078 20 30 CEEDLO C#CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCCC1 ZINC000851807682 643173100 /nfs/dbraw/zinc/17/31/00/643173100.db2.gz HHOVQKQLZKYPJZ-UHFFFAOYSA-N 1 2 263.297 2.269 20 30 CEEDLO C#CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCCC1 ZINC000851807682 643173102 /nfs/dbraw/zinc/17/31/02/643173102.db2.gz HHOVQKQLZKYPJZ-UHFFFAOYSA-N 1 2 263.297 2.269 20 30 CEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCOC(F)F)CC1 ZINC000851845068 643188387 /nfs/dbraw/zinc/18/83/87/643188387.db2.gz FZZSUNXKDUXOPE-CQSZACIVSA-N 1 2 295.333 2.108 20 30 CEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccco2)CC1 ZINC001004328245 643226179 /nfs/dbraw/zinc/22/61/79/643226179.db2.gz UEBHZIGKJVPJCG-CQSZACIVSA-N 1 2 287.363 2.120 20 30 CEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccco2)CC1 ZINC001004328245 643226191 /nfs/dbraw/zinc/22/61/91/643226191.db2.gz UEBHZIGKJVPJCG-CQSZACIVSA-N 1 2 287.363 2.120 20 30 CEEDLO CC(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004337981 643231748 /nfs/dbraw/zinc/23/17/48/643231748.db2.gz XVBJIJDBXCRRQU-HNNXBMFYSA-N 1 2 277.412 2.259 20 30 CEEDLO CC(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004337981 643231749 /nfs/dbraw/zinc/23/17/49/643231749.db2.gz XVBJIJDBXCRRQU-HNNXBMFYSA-N 1 2 277.412 2.259 20 30 CEEDLO C#CCOCC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000851933325 643233370 /nfs/dbraw/zinc/23/33/70/643233370.db2.gz VVUYUWKKYRWKEC-LBPRGKRZSA-N 1 2 277.368 2.418 20 30 CEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccoc2)CC1 ZINC001004353936 643243419 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COc1cc2c(c(C=NNc3[nH+]ccn3C)c1)O[C@H](C)C2 ZINC000790299587 648402788 /nfs/dbraw/zinc/40/27/88/648402788.db2.gz FNGAURNDCXTGTM-SNVBAGLBSA-N 1 2 286.335 2.198 20 30 CEEDLO O=C1C=C(NNc2cccc(Cl)[nH+]2)[C@@H]2CCCCN12 ZINC000793163230 648714953 /nfs/dbraw/zinc/71/49/53/648714953.db2.gz ZYMUBXWEPZXDKY-JTQLQIEISA-N 1 2 278.743 2.288 20 30 CEEDLO Cn1c[nH+]cc1CCOC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000793239356 648728552 /nfs/dbraw/zinc/72/85/52/648728552.db2.gz AENWCKRBDQQQIF-UHFFFAOYSA-N 1 2 295.342 2.109 20 30 CEEDLO N#Cc1c2c(cn(C[NH+]3CCC(C4CC4)CC3)c1=O)CCC2 ZINC000793630855 648783736 /nfs/dbraw/zinc/78/37/36/648783736.db2.gz KHAZCDIKBZEJIR-UHFFFAOYSA-N 1 2 297.402 2.288 20 30 CEEDLO CC[C@@H]([NH2+]Cc1nonc1C)c1ccc(C#N)cc1 ZINC000872137316 649288904 /nfs/dbraw/zinc/28/89/04/649288904.db2.gz SAGGJIQONRSPBJ-CYBMUJFWSA-N 1 2 256.309 2.491 20 30 CEEDLO CC(=[NH+]NC[C@H]1CCCC1(F)F)c1csc(N)n1 ZINC000872409816 649383820 /nfs/dbraw/zinc/38/38/20/649383820.db2.gz HDMMEDDITINVMV-MRVPVSSYSA-N 1 2 274.340 2.474 20 30 CEEDLO C#C[C@H]1CC[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000873291931 649629606 /nfs/dbraw/zinc/62/96/06/649629606.db2.gz OCQSFYFDSJYYSO-SHTZXODSSA-N 1 2 288.395 2.107 20 30 CEEDLO C=CC[C@H]([NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1)C(=O)OC ZINC000878598150 651137560 /nfs/dbraw/zinc/13/75/60/651137560.db2.gz YDBIJZBYIXCTSN-HRCADAONSA-N 1 2 291.391 2.452 20 30 CEEDLO CC(=O)Nc1ccc2c(C[NH2+][C@H](C)CC#N)cc(=O)oc2c1 ZINC000878818105 651192214 /nfs/dbraw/zinc/19/22/14/651192214.db2.gz LCQIZBYOHZGRMZ-SNVBAGLBSA-N 1 2 299.330 2.143 20 30 CEEDLO CC(C)[C@H](O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878886976 651204013 /nfs/dbraw/zinc/20/40/13/651204013.db2.gz AEYOKOXUJJSFNH-NVXWUHKLSA-N 1 2 287.407 2.346 20 30 CEEDLO CC(C)[C@H](O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878886976 651204014 /nfs/dbraw/zinc/20/40/14/651204014.db2.gz AEYOKOXUJJSFNH-NVXWUHKLSA-N 1 2 287.407 2.346 20 30 CEEDLO C[N@H+](C[C@H](O)c1ccccc1F)[C@H]1CCC[C@@H]1C#N ZINC000879308638 651280789 /nfs/dbraw/zinc/28/07/89/651280789.db2.gz QAICOFDTTANGJZ-UGFHNGPFSA-N 1 2 262.328 2.483 20 30 CEEDLO C[N@@H+](C[C@H](O)c1ccccc1F)[C@H]1CCC[C@@H]1C#N ZINC000879308638 651280791 /nfs/dbraw/zinc/28/07/91/651280791.db2.gz QAICOFDTTANGJZ-UGFHNGPFSA-N 1 2 262.328 2.483 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000880483902 651448429 /nfs/dbraw/zinc/44/84/29/651448429.db2.gz LZRYVXLBUCJTLR-UHFFFAOYSA-N 1 2 298.308 2.451 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CC=C[C@H]2CO)c(Br)c1 ZINC000880488752 651449516 /nfs/dbraw/zinc/44/95/16/651449516.db2.gz LJXPGCVCRJDMAL-LBPRGKRZSA-N 1 2 293.164 2.053 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CC=C[C@H]2CO)c(Br)c1 ZINC000880488752 651449514 /nfs/dbraw/zinc/44/95/14/651449514.db2.gz LJXPGCVCRJDMAL-LBPRGKRZSA-N 1 2 293.164 2.053 20 30 CEEDLO C#CCCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883475745 652481181 /nfs/dbraw/zinc/48/11/81/652481181.db2.gz KCJICZNGDFJCOE-MRXNPFEDSA-N 1 2 296.374 2.337 20 30 CEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(Cl)c1C ZINC000884044982 652655631 /nfs/dbraw/zinc/65/56/31/652655631.db2.gz CTFCWQDEUQXFPJ-NSHDSACASA-N 1 2 296.754 2.034 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H]1CC ZINC001087780532 805792626 /nfs/dbraw/zinc/79/26/26/805792626.db2.gz LHOKFHQVTWJJPY-NWDGAFQWSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H]1CC ZINC001087780532 805792629 /nfs/dbraw/zinc/79/26/29/805792629.db2.gz LHOKFHQVTWJJPY-NWDGAFQWSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)C2)[C@H]1C ZINC001088516187 806339466 /nfs/dbraw/zinc/33/94/66/806339466.db2.gz GZVBJSNAUSKGNG-SHUSYIHASA-N 1 2 270.804 2.364 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)C2)[C@H]1C ZINC001088516187 806339471 /nfs/dbraw/zinc/33/94/71/806339471.db2.gz GZVBJSNAUSKGNG-SHUSYIHASA-N 1 2 270.804 2.364 20 30 CEEDLO C=CCN(CC[N@@H+]1CCc2ncsc2C1)C(=O)OCC ZINC001209022711 802450602 /nfs/dbraw/zinc/45/06/02/802450602.db2.gz QZKSMJOZWDCOAX-UHFFFAOYSA-N 1 2 295.408 2.146 20 30 CEEDLO C=CCN(CC[N@H+]1CCc2ncsc2C1)C(=O)OCC ZINC001209022711 802450605 /nfs/dbraw/zinc/45/06/05/802450605.db2.gz QZKSMJOZWDCOAX-UHFFFAOYSA-N 1 2 295.408 2.146 20 30 CEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC(n4ccnc4)CC3)c12 ZINC001167125666 802514895 /nfs/dbraw/zinc/51/48/95/802514895.db2.gz DAMCNHAMQYCPAI-UHFFFAOYSA-N 1 2 292.346 2.473 20 30 CEEDLO N#Cc1cnc2cc[nH]c(N3CCC(n4cc[nH+]c4)CC3)c1-2 ZINC001167125666 802514897 /nfs/dbraw/zinc/51/48/97/802514897.db2.gz DAMCNHAMQYCPAI-UHFFFAOYSA-N 1 2 292.346 2.473 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001075480865 803444376 /nfs/dbraw/zinc/44/43/76/803444376.db2.gz AUELJVBFKBEINS-WDEREUQCSA-N 1 2 274.767 2.020 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001075480865 803444389 /nfs/dbraw/zinc/44/43/89/803444389.db2.gz AUELJVBFKBEINS-WDEREUQCSA-N 1 2 274.767 2.020 20 30 CEEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)ccc1N ZINC001213426932 803573275 /nfs/dbraw/zinc/57/32/75/803573275.db2.gz FGWMTICXMFLUGH-UHFFFAOYSA-N 1 2 295.346 2.116 20 30 CEEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001267762344 803715958 /nfs/dbraw/zinc/71/59/58/803715958.db2.gz FOWHFQANUALKAD-CQSZACIVSA-N 1 2 291.395 2.310 20 30 CEEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001267762344 803715963 /nfs/dbraw/zinc/71/59/63/803715963.db2.gz FOWHFQANUALKAD-CQSZACIVSA-N 1 2 291.395 2.310 20 30 CEEDLO C#CCCCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105162802 803804579 /nfs/dbraw/zinc/80/45/79/803804579.db2.gz YUCCYMYCKSSNOR-CQSZACIVSA-N 1 2 288.395 2.141 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038976231 804629667 /nfs/dbraw/zinc/62/96/67/804629667.db2.gz OCFJIQCPNIQHRV-OAHLLOKOSA-N 1 2 282.387 2.391 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038976231 804629672 /nfs/dbraw/zinc/62/96/72/804629672.db2.gz OCFJIQCPNIQHRV-OAHLLOKOSA-N 1 2 282.387 2.391 20 30 CEEDLO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CCOCC(C)C)C1 ZINC001269833123 805264986 /nfs/dbraw/zinc/26/49/86/805264986.db2.gz XKBYOEVRBNIERZ-UHFFFAOYSA-N 1 2 296.455 2.404 20 30 CEEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1=S ZINC001119077018 815069477 /nfs/dbraw/zinc/06/94/77/815069477.db2.gz ZDEDYLUYOCGSKA-NEPJUHHUSA-N 1 2 296.465 2.242 20 30 CEEDLO C=CCn1cnn(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1=S ZINC001119077018 815069482 /nfs/dbraw/zinc/06/94/82/815069482.db2.gz ZDEDYLUYOCGSKA-NEPJUHHUSA-N 1 2 296.465 2.242 20 30 CEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)CC)CC2)cc1 ZINC000092972994 805387847 /nfs/dbraw/zinc/38/78/47/805387847.db2.gz TWCFRVBQNOWNSR-UHFFFAOYSA-N 1 2 288.391 2.306 20 30 CEEDLO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001270726497 805538489 /nfs/dbraw/zinc/53/84/89/805538489.db2.gz FTFHYGOWOXOVEK-PWSUYJOCSA-N 1 2 296.308 2.291 20 30 CEEDLO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001270726497 805538496 /nfs/dbraw/zinc/53/84/96/805538496.db2.gz FTFHYGOWOXOVEK-PWSUYJOCSA-N 1 2 296.308 2.291 20 30 CEEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc2C1)C(=O)OC ZINC001168406530 807170118 /nfs/dbraw/zinc/17/01/18/807170118.db2.gz GYPWDPYFANYVMJ-HUUCEWRRSA-N 1 2 277.339 2.390 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2CCC)C1 ZINC001030653305 807286426 /nfs/dbraw/zinc/28/64/26/807286426.db2.gz CHCOIASXQXONCW-UHFFFAOYSA-N 1 2 270.376 2.076 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1C ZINC001088937940 807287977 /nfs/dbraw/zinc/28/79/77/807287977.db2.gz MXTNXLJGIPFONP-MNOVXSKESA-N 1 2 298.770 2.233 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1C ZINC001088937940 807287985 /nfs/dbraw/zinc/28/79/85/807287985.db2.gz MXTNXLJGIPFONP-MNOVXSKESA-N 1 2 298.770 2.233 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCc3ncsc3C2)c(O)c1 ZINC001233386832 807402651 /nfs/dbraw/zinc/40/26/51/807402651.db2.gz KHDGJBSGYFAURO-UHFFFAOYSA-N 1 2 271.345 2.279 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCc3ncsc3C2)c(O)c1 ZINC001233386832 807402656 /nfs/dbraw/zinc/40/26/56/807402656.db2.gz KHDGJBSGYFAURO-UHFFFAOYSA-N 1 2 271.345 2.279 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)on2)[C@@H]1C ZINC000993013050 807652188 /nfs/dbraw/zinc/65/21/88/807652188.db2.gz ZCSCNYBCHCACMC-RYUDHWBXSA-N 1 2 297.786 2.318 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)on2)[C@@H]1C ZINC000993013050 807652194 /nfs/dbraw/zinc/65/21/94/807652194.db2.gz ZCSCNYBCHCACMC-RYUDHWBXSA-N 1 2 297.786 2.318 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001031120748 807667662 /nfs/dbraw/zinc/66/76/62/807667662.db2.gz VMAYAAIVKDOXHW-UHFFFAOYSA-N 1 2 276.767 2.086 20 30 CEEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001031375883 807938585 /nfs/dbraw/zinc/93/85/85/807938585.db2.gz URWQPJWFTRDQDK-UHFFFAOYSA-N 1 2 295.386 2.222 20 30 CEEDLO CC1(C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031619763 808025464 /nfs/dbraw/zinc/02/54/64/808025464.db2.gz KZYUXJKCSQLUGY-INIZCTEOSA-N 1 2 297.402 2.152 20 30 CEEDLO Cc1cc(C#N)nc(NCCCCn2cc[nH+]c2)c1 ZINC001119949324 815175412 /nfs/dbraw/zinc/17/54/12/815175412.db2.gz WIBAJGIILBCZOI-UHFFFAOYSA-N 1 2 255.325 2.351 20 30 CEEDLO N#C[C@H]1CCC[N@@H+](Cc2nccnc2Cl)CC1 ZINC001236616063 808133847 /nfs/dbraw/zinc/13/38/47/808133847.db2.gz VDQPONFNJKDILD-JTQLQIEISA-N 1 2 250.733 2.256 20 30 CEEDLO N#C[C@H]1CCC[N@H+](Cc2nccnc2Cl)CC1 ZINC001236616063 808133850 /nfs/dbraw/zinc/13/38/50/808133850.db2.gz VDQPONFNJKDILD-JTQLQIEISA-N 1 2 250.733 2.256 20 30 CEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC3(CCC3)C2)C1 ZINC001031909366 808196734 /nfs/dbraw/zinc/19/67/34/808196734.db2.gz PFAAWFDVFLDZPJ-UHFFFAOYSA-N 1 2 282.815 2.367 20 30 CEEDLO C=CCCCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107477843 808447882 /nfs/dbraw/zinc/44/78/82/808447882.db2.gz VZBCYJVLKXYBLD-SREVYHEPSA-N 1 2 274.368 2.226 20 30 CEEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(Cl)sc1C ZINC001032513589 808672865 /nfs/dbraw/zinc/67/28/65/808672865.db2.gz QLMFUKKMPFCHKN-UWVGGRQHSA-N 1 2 297.811 2.190 20 30 CEEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(Cl)sc1C ZINC001032513589 808672870 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C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001108334817 811227219 /nfs/dbraw/zinc/22/72/19/811227219.db2.gz UDEXDLDLXORMAT-WMLDXEAASA-N 1 2 294.439 2.206 20 30 CEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001108350229 811235091 /nfs/dbraw/zinc/23/50/91/811235091.db2.gz VNIMRQUNDHDIFM-DOTOQJQBSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001108350229 811235098 /nfs/dbraw/zinc/23/50/98/811235098.db2.gz VNIMRQUNDHDIFM-DOTOQJQBSA-N 1 2 296.455 2.452 20 30 CEEDLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)CCCC#N ZINC001172482074 815433251 /nfs/dbraw/zinc/43/32/51/815433251.db2.gz ZXOWJAQPHIZSIP-DOMZBBRYSA-N 1 2 290.363 2.148 20 30 CEEDLO C[C@@H](CC(=O)[C@@H](C#N)c1cccc(F)n1)n1cc[nH+]c1 ZINC001122652831 815434301 /nfs/dbraw/zinc/43/43/01/815434301.db2.gz NWGQWKSYCZYORM-QWRGUYRKSA-N 1 2 272.283 2.245 20 30 CEEDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+][C@@H](C)CCCC#N ZINC001172485062 815434976 /nfs/dbraw/zinc/43/49/76/815434976.db2.gz LHMXZRKGQBPAOG-ZFWWWQNUSA-N 1 2 289.379 2.228 20 30 CEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCOC(C)C)C(=O)OCC ZINC001172440144 815437586 /nfs/dbraw/zinc/43/75/86/815437586.db2.gz DKCXMAQEIUHKOF-NFAWXSAZSA-N 1 2 269.385 2.287 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001043457988 811375572 /nfs/dbraw/zinc/37/55/72/811375572.db2.gz HHEHVNKBBUMOJJ-LBPRGKRZSA-N 1 2 272.339 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc3cccnc32)C1 ZINC001043499167 811379357 /nfs/dbraw/zinc/37/93/57/811379357.db2.gz HKNABOXAXAJFHM-UHFFFAOYSA-N 1 2 295.386 2.106 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001043505214 811383146 /nfs/dbraw/zinc/38/31/46/811383146.db2.gz GYLIXFYZWNJTQJ-UHFFFAOYSA-N 1 2 295.386 2.256 20 30 CEEDLO C#CCC[NH+]1CC(N(C)C(=O)c2occc2C(C)C)C1 ZINC001043618931 811391750 /nfs/dbraw/zinc/39/17/50/811391750.db2.gz IHXKVZSNSWOXJB-UHFFFAOYSA-N 1 2 274.364 2.183 20 30 CEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncsc2C2CC2)C1 ZINC001043856938 811414328 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CCOC(=O)N1CCC[C@H]([NH2+]C2(C#N)CCCC2)CC1 ZINC001169652093 811606506 /nfs/dbraw/zinc/60/65/06/811606506.db2.gz MSELHCNKNWBOQV-ZDUSSCGKSA-N 1 2 279.384 2.423 20 30 CEEDLO C=C1CCC(C(=O)O[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001122982131 815463864 /nfs/dbraw/zinc/46/38/64/815463864.db2.gz DYALYQYNDFAGAW-ZDUSSCGKSA-N 1 2 255.333 2.320 20 30 CEEDLO C=C1CCC(C(=O)O[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001122982131 815463869 /nfs/dbraw/zinc/46/38/69/815463869.db2.gz DYALYQYNDFAGAW-ZDUSSCGKSA-N 1 2 255.333 2.320 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ncoc2CC)C1 ZINC001046202058 811707359 /nfs/dbraw/zinc/70/73/59/811707359.db2.gz HAIJIDAJWDVWPB-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ncoc2CC)C1 ZINC001046202058 811707364 /nfs/dbraw/zinc/70/73/64/811707364.db2.gz HAIJIDAJWDVWPB-AWEZNQCLSA-N 1 2 297.786 2.184 20 30 CEEDLO N#CCc1ccc[nH+]c1NCCOc1ccc2c(c1)OCO2 ZINC001169929917 811714075 /nfs/dbraw/zinc/71/40/75/811714075.db2.gz MBKDNMBREYXEIY-UHFFFAOYSA-N 1 2 297.314 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C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCO1)C2 ZINC001096964381 812300513 /nfs/dbraw/zinc/30/05/13/812300513.db2.gz PLMKCINSPUJENP-MQYQWHSLSA-N 1 2 298.814 2.030 20 30 CEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001097119074 812330471 /nfs/dbraw/zinc/33/04/71/812330471.db2.gz QLTLAVAIHRPZBQ-UTUOFQBUSA-N 1 2 268.788 2.261 20 30 CEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001097119074 812330481 /nfs/dbraw/zinc/33/04/81/812330481.db2.gz QLTLAVAIHRPZBQ-UTUOFQBUSA-N 1 2 268.788 2.261 20 30 CEEDLO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001170353146 812392533 /nfs/dbraw/zinc/39/25/33/812392533.db2.gz WTAURXGLPUFQSL-NEPJUHHUSA-N 1 2 289.335 2.380 20 30 CEEDLO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](C#N)C2)c([N+](=O)[O-])c1 ZINC001170353146 812392543 /nfs/dbraw/zinc/39/25/43/812392543.db2.gz WTAURXGLPUFQSL-NEPJUHHUSA-N 1 2 289.335 2.380 20 30 CEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCCCC1)CCO2 ZINC001053133549 812490595 /nfs/dbraw/zinc/49/05/95/812490595.db2.gz VAVYMMDVBMIOFU-UHFFFAOYSA-N 1 2 292.423 2.056 20 30 CEEDLO C#Cc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cn1 ZINC001129714346 812507115 /nfs/dbraw/zinc/50/71/15/812507115.db2.gz OJBGUPXEMUTTBI-UHFFFAOYSA-N 1 2 265.316 2.005 20 30 CEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCCC1)O2 ZINC001053561356 812507162 /nfs/dbraw/zinc/50/71/62/812507162.db2.gz MEQPWUHMEIFNQU-OAHLLOKOSA-N 1 2 292.423 2.102 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CCCC3)cc2C1 ZINC001054253336 812552518 /nfs/dbraw/zinc/55/25/18/812552518.db2.gz WCQJNMMDTTXQKG-UHFFFAOYSA-N 1 2 282.387 2.442 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CCCC3)cc2C1 ZINC001054253336 812552522 /nfs/dbraw/zinc/55/25/22/812552522.db2.gz WCQJNMMDTTXQKG-UHFFFAOYSA-N 1 2 282.387 2.442 20 30 CEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccco3)cc2C1 ZINC001054251888 812553915 /nfs/dbraw/zinc/55/39/15/812553915.db2.gz RIONHUIVXXLYSL-UHFFFAOYSA-N 1 2 280.327 2.158 20 30 CEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccco3)cc2C1 ZINC001054251888 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ZINC000595613772 345827957 /nfs/dbraw/zinc/82/79/57/345827957.db2.gz HIBYWZJLRCRWHA-LLVKDONJSA-N 1 2 272.308 2.455 20 30 CEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000595613772 345827960 /nfs/dbraw/zinc/82/79/60/345827960.db2.gz HIBYWZJLRCRWHA-LLVKDONJSA-N 1 2 272.308 2.455 20 30 CEEDLO CCc1nnc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595620196 345829944 /nfs/dbraw/zinc/82/99/44/345829944.db2.gz KDYTXJSDYUJOQP-JTQLQIEISA-N 1 2 250.371 2.226 20 30 CEEDLO CCc1nnc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595620196 345829948 /nfs/dbraw/zinc/82/99/48/345829948.db2.gz KDYTXJSDYUJOQP-JTQLQIEISA-N 1 2 250.371 2.226 20 30 CEEDLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595623673 345830976 /nfs/dbraw/zinc/83/09/76/345830976.db2.gz WVSWHSJJNKFVAF-NWDGAFQWSA-N 1 2 260.341 2.177 20 30 CEEDLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595623673 345830980 /nfs/dbraw/zinc/83/09/80/345830980.db2.gz WVSWHSJJNKFVAF-NWDGAFQWSA-N 1 2 260.341 2.177 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)COC ZINC000595638944 345834524 /nfs/dbraw/zinc/83/45/24/345834524.db2.gz PEPNBDKIZOABST-NSHDSACASA-N 1 2 293.392 2.081 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)COC ZINC000595638944 345834529 /nfs/dbraw/zinc/83/45/29/345834529.db2.gz PEPNBDKIZOABST-NSHDSACASA-N 1 2 293.392 2.081 20 30 CEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833358 345890800 /nfs/dbraw/zinc/89/08/00/345890800.db2.gz GPLPEAYXIYCESQ-HOCLYGCPSA-N 1 2 271.364 2.051 20 30 CEEDLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833358 345890804 /nfs/dbraw/zinc/89/08/04/345890804.db2.gz GPLPEAYXIYCESQ-HOCLYGCPSA-N 1 2 271.364 2.051 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836421 345891931 /nfs/dbraw/zinc/89/19/31/345891931.db2.gz ZIOGNUUBJUJBBW-PBHICJAKSA-N 1 2 285.391 2.235 20 30 CEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836421 345891937 /nfs/dbraw/zinc/89/19/37/345891937.db2.gz ZIOGNUUBJUJBBW-PBHICJAKSA-N 1 2 285.391 2.235 20 30 CEEDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595837231 345893120 /nfs/dbraw/zinc/89/31/20/345893120.db2.gz FJNRGVLBPLNTDB-ZFWWWQNUSA-N 1 2 265.401 2.115 20 30 CEEDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595837231 345893123 /nfs/dbraw/zinc/89/31/23/345893123.db2.gz FJNRGVLBPLNTDB-ZFWWWQNUSA-N 1 2 265.401 2.115 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839266 345894861 /nfs/dbraw/zinc/89/48/61/345894861.db2.gz HLHNSZQNHWBNQK-MLGOLLRUSA-N 1 2 289.354 2.066 20 30 CEEDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839266 345894865 /nfs/dbraw/zinc/89/48/65/345894865.db2.gz HLHNSZQNHWBNQK-MLGOLLRUSA-N 1 2 289.354 2.066 20 30 CEEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1=CCSC1 ZINC000595888758 345906884 /nfs/dbraw/zinc/90/68/84/345906884.db2.gz OEJQFEUDLZYSLV-UHFFFAOYSA-N 1 2 287.388 2.102 20 30 CEEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC1=CCSC1 ZINC000595888758 345906887 /nfs/dbraw/zinc/90/68/87/345906887.db2.gz OEJQFEUDLZYSLV-UHFFFAOYSA-N 1 2 287.388 2.102 20 30 CEEDLO Cc1cc(N(C)CCCn2cc[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596166944 345957948 /nfs/dbraw/zinc/95/79/48/345957948.db2.gz ZXNUCMHOWWWBPH-UHFFFAOYSA-N 1 2 299.334 2.498 20 30 CEEDLO CN(C)c1ccc(CNc2nc(C#N)c(Cl)s2)c[nH+]1 ZINC000596074339 345933433 /nfs/dbraw/zinc/93/34/33/345933433.db2.gz UCVLKOOVHLTTQW-UHFFFAOYSA-N 1 2 293.783 2.163 20 30 CEEDLO CC[C@H](C[NH+]1CCCC1)Nc1nc(C#N)c(Cl)s1 ZINC000596132415 345946809 /nfs/dbraw/zinc/94/68/09/345946809.db2.gz KMVCFNBPFSQFOF-SECBINFHSA-N 1 2 284.816 2.376 20 30 CEEDLO N#Cc1cccc(NCC2CC[NH+](CC(F)F)CC2)n1 ZINC000596237856 345976680 /nfs/dbraw/zinc/97/66/80/345976680.db2.gz BRTBOGIUILZBOR-UHFFFAOYSA-N 1 2 280.322 2.342 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1nc(C#N)c(Cl)s1 ZINC000596258222 345982646 /nfs/dbraw/zinc/98/26/46/345982646.db2.gz XYUQAJHKBGKCDR-ZETCQYMHSA-N 1 2 281.772 2.480 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596432773 346022724 /nfs/dbraw/zinc/02/27/24/346022724.db2.gz SLRMINXFNJZRQN-ZIAGYGMSSA-N 1 2 288.395 2.091 20 30 CEEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596432773 346022726 /nfs/dbraw/zinc/02/27/26/346022726.db2.gz SLRMINXFNJZRQN-ZIAGYGMSSA-N 1 2 288.395 2.091 20 30 CEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc(C#N)cc1F ZINC000596434025 346023362 /nfs/dbraw/zinc/02/33/62/346023362.db2.gz WQQKLDPQVXQJSQ-NEPJUHHUSA-N 1 2 277.343 2.218 20 30 CEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc(C#N)cc1F ZINC000596434025 346023364 /nfs/dbraw/zinc/02/33/64/346023364.db2.gz WQQKLDPQVXQJSQ-NEPJUHHUSA-N 1 2 277.343 2.218 20 30 CEEDLO C[C@@H](CC#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000596703270 346077263 /nfs/dbraw/zinc/07/72/63/346077263.db2.gz WHOYOQRJJSJMIY-ZDUSSCGKSA-N 1 2 282.347 2.097 20 30 CEEDLO C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1[nH+]ccn1C ZINC000596926782 346106910 /nfs/dbraw/zinc/10/69/10/346106910.db2.gz XTMXIGQVKYUGKI-LLVKDONJSA-N 1 2 283.335 2.369 20 30 CEEDLO Cc1cc[nH+]cc1Cc1noc(CC(C)(C)C#N)n1 ZINC000596617922 346065877 /nfs/dbraw/zinc/06/58/77/346065877.db2.gz XVBKCKPQSDEMHC-UHFFFAOYSA-N 1 2 256.309 2.456 20 30 CEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC#N)Cc1ccco1 ZINC000597024114 346116295 /nfs/dbraw/zinc/11/62/95/346116295.db2.gz GIFNFFPEGPDXSS-ZIAGYGMSSA-N 1 2 298.346 2.059 20 30 CEEDLO Cc1cccn2c(NC(=O)N[C@@H]3CC[C@H](C#N)C3)c[nH+]c12 ZINC000597085590 346126811 /nfs/dbraw/zinc/12/68/11/346126811.db2.gz WTTIJJQXUOVVMU-NWDGAFQWSA-N 1 2 283.335 2.457 20 30 CEEDLO C[C@H](CC#N)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000597624890 346209571 /nfs/dbraw/zinc/20/95/71/346209571.db2.gz FCYAONQQIOUIRJ-RISCZKNCSA-N 1 2 291.782 2.363 20 30 CEEDLO C[C@H](CC#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000597400546 346181951 /nfs/dbraw/zinc/18/19/51/346181951.db2.gz YWMMWOIVMSKIFL-CYBMUJFWSA-N 1 2 289.354 2.020 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597417004 346183316 /nfs/dbraw/zinc/18/33/16/346183316.db2.gz YQOOYHALTKAQFL-NSHDSACASA-N 1 2 280.331 2.333 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597417004 346183321 /nfs/dbraw/zinc/18/33/21/346183321.db2.gz YQOOYHALTKAQFL-NSHDSACASA-N 1 2 280.331 2.333 20 30 CEEDLO N#CCC1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000598024505 346268969 /nfs/dbraw/zinc/26/89/69/346268969.db2.gz KHBKSKBNRDDVBB-OAHLLOKOSA-N 1 2 294.358 2.304 20 30 CEEDLO C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598460660 346360334 /nfs/dbraw/zinc/36/03/34/346360334.db2.gz VYAJBLOQWIOPKO-GFCCVEGCSA-N 1 2 282.347 2.102 20 30 CEEDLO CN1c2ccccc2C[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000598948107 346436402 /nfs/dbraw/zinc/43/64/02/346436402.db2.gz PMBFAJMMOCGADZ-JSGCOSHPSA-N 1 2 269.348 2.157 20 30 CEEDLO CN1c2ccccc2C[N@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000598948107 346436403 /nfs/dbraw/zinc/43/64/03/346436403.db2.gz PMBFAJMMOCGADZ-JSGCOSHPSA-N 1 2 269.348 2.157 20 30 CEEDLO Cc1cc[nH+]c([C@H]2CCN(c3cc(C#N)cnn3)C2)c1 ZINC000599097344 346459931 /nfs/dbraw/zinc/45/99/31/346459931.db2.gz CEFVIFSMRHAPEU-ZDUSSCGKSA-N 1 2 265.320 2.046 20 30 CEEDLO CCC#C[C@@H](C)[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623261368 349965934 /nfs/dbraw/zinc/96/59/34/349965934.db2.gz NNGMPHMWSNOXCE-CYBMUJFWSA-N 1 2 256.349 2.267 20 30 CEEDLO CCC#C[C@@H](C)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623261368 349965936 /nfs/dbraw/zinc/96/59/36/349965936.db2.gz NNGMPHMWSNOXCE-CYBMUJFWSA-N 1 2 256.349 2.267 20 30 CEEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CC(C)(C)C#N ZINC000602606666 347098043 /nfs/dbraw/zinc/09/80/43/347098043.db2.gz BYISDPWLCALLLG-UHFFFAOYSA-N 1 2 292.383 2.015 20 30 CEEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599284239 346490564 /nfs/dbraw/zinc/49/05/64/346490564.db2.gz PBEGREWCICYCKZ-CQSZACIVSA-N 1 2 258.321 2.004 20 30 CEEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599284239 346490569 /nfs/dbraw/zinc/49/05/69/346490569.db2.gz PBEGREWCICYCKZ-CQSZACIVSA-N 1 2 258.321 2.004 20 30 CEEDLO COC(=O)CCCC[N@H+](CCC#N)Cc1ccco1 ZINC000599308593 346496400 /nfs/dbraw/zinc/49/64/00/346496400.db2.gz UWDJPRUAWBZCJD-UHFFFAOYSA-N 1 2 264.325 2.339 20 30 CEEDLO COC(=O)CCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000599308593 346496403 /nfs/dbraw/zinc/49/64/03/346496403.db2.gz UWDJPRUAWBZCJD-UHFFFAOYSA-N 1 2 264.325 2.339 20 30 CEEDLO COC(=O)[C@H]1C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668541 346559625 /nfs/dbraw/zinc/55/96/25/346559625.db2.gz LCUNWSPPZFXSCR-BBRMVZONSA-N 1 2 297.358 2.202 20 30 CEEDLO COC(=O)[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000599668541 346559626 /nfs/dbraw/zinc/55/96/26/346559626.db2.gz LCUNWSPPZFXSCR-BBRMVZONSA-N 1 2 297.358 2.202 20 30 CEEDLO C=CCOCC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599557087 346537482 /nfs/dbraw/zinc/53/74/82/346537482.db2.gz WZRNPYCZWDGUOU-HNNXBMFYSA-N 1 2 269.385 2.291 20 30 CEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641486 346551927 /nfs/dbraw/zinc/55/19/27/346551927.db2.gz IXDWSUKIHIEXEZ-AWEZNQCLSA-N 1 2 278.327 2.127 20 30 CEEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641486 346551930 /nfs/dbraw/zinc/55/19/30/346551930.db2.gz IXDWSUKIHIEXEZ-AWEZNQCLSA-N 1 2 278.327 2.127 20 30 CEEDLO COC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000599695637 346570069 /nfs/dbraw/zinc/57/00/69/346570069.db2.gz LFSPDCOWFLFDNU-OAHLLOKOSA-N 1 2 294.782 2.449 20 30 CEEDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000599695637 346570075 /nfs/dbraw/zinc/57/00/75/346570075.db2.gz LFSPDCOWFLFDNU-OAHLLOKOSA-N 1 2 294.782 2.449 20 30 CEEDLO COCCN(Cc1[nH]cc(C)[nH+]1)Cc1ccc(C#N)cc1 ZINC000600106728 346598166 /nfs/dbraw/zinc/59/81/66/346598166.db2.gz HHBZYGVUAKDWNC-UHFFFAOYSA-N 1 2 284.363 2.238 20 30 CEEDLO CCOC(=O)c1cccc(C[N@H+](CC)C[C@H](C)C#N)n1 ZINC000600111318 346599402 /nfs/dbraw/zinc/59/94/02/346599402.db2.gz BAYIDZNTGXJXJQ-GFCCVEGCSA-N 1 2 275.352 2.240 20 30 CEEDLO CCOC(=O)c1cccc(C[N@@H+](CC)C[C@H](C)C#N)n1 ZINC000600111318 346599404 /nfs/dbraw/zinc/59/94/04/346599404.db2.gz BAYIDZNTGXJXJQ-GFCCVEGCSA-N 1 2 275.352 2.240 20 30 CEEDLO COC(=O)[C@H](C[C@@H]1CCCOC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000600206256 346622949 /nfs/dbraw/zinc/62/29/49/346622949.db2.gz HBWCEVBKKDTXJT-BARDWOONSA-N 1 2 294.395 2.017 20 30 CEEDLO CCC(F)(F)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000600761550 346685370 /nfs/dbraw/zinc/68/53/70/346685370.db2.gz LBNAHMPQGXOYTQ-CYBMUJFWSA-N 1 2 298.333 2.127 20 30 CEEDLO C=CC[C@H](C)Nc1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000601118060 346757632 /nfs/dbraw/zinc/75/76/32/346757632.db2.gz FJTAQYWPYPQKGE-NSHDSACASA-N 1 2 277.368 2.079 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601170585 346776647 /nfs/dbraw/zinc/77/66/47/346776647.db2.gz BHWNCIILSCVUKX-JTQLQIEISA-N 1 2 282.351 2.037 20 30 CEEDLO Cc1cc(C)c(CNc2cc(C#N)nc(C3CC3)n2)c[nH+]1 ZINC000601171363 346777309 /nfs/dbraw/zinc/77/73/09/346777309.db2.gz JVWWGRNKFQHLQH-UHFFFAOYSA-N 1 2 279.347 2.272 20 30 CEEDLO Cc1cc(CNc2cc(C#N)nc(C3CC3)n2)cc(C)[nH+]1 ZINC000601176352 346778438 /nfs/dbraw/zinc/77/84/38/346778438.db2.gz VOWKIYKNLSADBH-UHFFFAOYSA-N 1 2 279.347 2.272 20 30 CEEDLO Cc1cc(N2CCO[C@@H](C(F)F)CC2)c(C#N)c[nH+]1 ZINC000601231686 346797012 /nfs/dbraw/zinc/79/70/12/346797012.db2.gz NUJRRVOMXHPIDI-GFCCVEGCSA-N 1 2 267.279 2.122 20 30 CEEDLO COC(=O)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)CCC#N ZINC000602636369 347116099 /nfs/dbraw/zinc/11/60/99/347116099.db2.gz UTDDZPGSCDMJMQ-DTWKUNHWSA-N 1 2 266.263 2.010 20 30 CEEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)n1 ZINC000602670392 347134446 /nfs/dbraw/zinc/13/44/46/347134446.db2.gz FEBSNCMFCKIRTP-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2CC2CCC2)n1 ZINC000602670392 347134450 /nfs/dbraw/zinc/13/44/50/347134450.db2.gz FEBSNCMFCKIRTP-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO CCc1noc(C)c1C[NH2+]Cc1cccc(C#N)n1 ZINC000602673910 347136200 /nfs/dbraw/zinc/13/62/00/347136200.db2.gz DIDNAKYIRNITOJ-UHFFFAOYSA-N 1 2 256.309 2.102 20 30 CEEDLO CCCc1ncc(C[NH2+]Cc2cccc(C#N)n2)o1 ZINC000602683055 347142829 /nfs/dbraw/zinc/14/28/29/347142829.db2.gz HIMPXSFYKQAPNZ-UHFFFAOYSA-N 1 2 256.309 2.184 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000129575454 365873978 /nfs/dbraw/zinc/87/39/78/365873978.db2.gz LIKPAEIKNBTQCU-NSHDSACASA-N 1 2 255.321 2.262 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000129575454 365873981 /nfs/dbraw/zinc/87/39/81/365873981.db2.gz LIKPAEIKNBTQCU-NSHDSACASA-N 1 2 255.321 2.262 20 30 CEEDLO CCOC(=O)C[N@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000064246944 362782549 /nfs/dbraw/zinc/78/25/49/362782549.db2.gz JQVUNYKHNWBLQL-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO CCOC(=O)C[N@@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000064246944 362782554 /nfs/dbraw/zinc/78/25/54/362782554.db2.gz JQVUNYKHNWBLQL-UHFFFAOYSA-N 1 2 290.363 2.211 20 30 CEEDLO C=C(C)C[C@H](NCc1c[nH+]c2cccc(C)n12)C(=O)OC ZINC000602733844 347177755 /nfs/dbraw/zinc/17/77/55/347177755.db2.gz LPDDYXBJPLIIIH-AWEZNQCLSA-N 1 2 287.363 2.240 20 30 CEEDLO C=C(C)C[C@H]([NH2+]C[C@@H](Cc1ccccc1)OC)C(=O)OC ZINC000602735434 347178554 /nfs/dbraw/zinc/17/85/54/347178554.db2.gz XBBSEOSYEIDMBQ-CVEARBPZSA-N 1 2 291.391 2.342 20 30 CEEDLO C[C@@H]1C[NH+](Cc2csc(C3CC3)n2)C[C@@H](C)N1CC#N ZINC000602852987 347225471 /nfs/dbraw/zinc/22/54/71/347225471.db2.gz FOFNHLXCAVMNTG-VXGBXAGGSA-N 1 2 290.436 2.439 20 30 CEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000602860427 347228359 /nfs/dbraw/zinc/22/83/59/347228359.db2.gz BQLDYQWACGBFOW-HZSPNIEDSA-N 1 2 263.385 2.059 20 30 CEEDLO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000602862981 347229672 /nfs/dbraw/zinc/22/96/72/347229672.db2.gz LONFOAXHFLICIJ-CJNGLKHVSA-N 1 2 273.380 2.392 20 30 CEEDLO Cc1nnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)[nH]1 ZINC000602898638 347240844 /nfs/dbraw/zinc/24/08/44/347240844.db2.gz HYQNQHIQLFXOSR-UHFFFAOYSA-N 1 2 296.378 2.061 20 30 CEEDLO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)oc1C ZINC000602973516 347259964 /nfs/dbraw/zinc/25/99/64/347259964.db2.gz BGRIKVJRKGNKTO-BXUZGUMPSA-N 1 2 276.336 2.499 20 30 CEEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)oc1C ZINC000602973516 347259966 /nfs/dbraw/zinc/25/99/66/347259966.db2.gz BGRIKVJRKGNKTO-BXUZGUMPSA-N 1 2 276.336 2.499 20 30 CEEDLO CC(C)CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977584 347263112 /nfs/dbraw/zinc/26/31/12/347263112.db2.gz DDQFRKMSBFLKPO-UKRRQHHQSA-N 1 2 277.412 2.257 20 30 CEEDLO CC(C)CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977584 347263114 /nfs/dbraw/zinc/26/31/14/347263114.db2.gz DDQFRKMSBFLKPO-UKRRQHHQSA-N 1 2 277.412 2.257 20 30 CEEDLO CC(C)CN(C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977583 347263149 /nfs/dbraw/zinc/26/31/49/347263149.db2.gz DDQFRKMSBFLKPO-HIFRSBDPSA-N 1 2 277.412 2.257 20 30 CEEDLO CC(C)CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602977583 347263151 /nfs/dbraw/zinc/26/31/51/347263151.db2.gz DDQFRKMSBFLKPO-HIFRSBDPSA-N 1 2 277.412 2.257 20 30 CEEDLO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602981619 347265069 /nfs/dbraw/zinc/26/50/69/347265069.db2.gz GVTTUXMMRNDHOZ-ZIAGYGMSSA-N 1 2 258.369 2.272 20 30 CEEDLO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602981619 347265072 /nfs/dbraw/zinc/26/50/72/347265072.db2.gz GVTTUXMMRNDHOZ-ZIAGYGMSSA-N 1 2 258.369 2.272 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000603071891 347281565 /nfs/dbraw/zinc/28/15/65/347281565.db2.gz FNTFMVCCFHNHQO-GFCCVEGCSA-N 1 2 299.309 2.030 20 30 CEEDLO CC#CC[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000607731951 347534407 /nfs/dbraw/zinc/53/44/07/347534407.db2.gz RYUGGNWOJFVXSA-INIZCTEOSA-N 1 2 292.810 2.014 20 30 CEEDLO CC#CCN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000607731951 347534408 /nfs/dbraw/zinc/53/44/08/347534408.db2.gz RYUGGNWOJFVXSA-INIZCTEOSA-N 1 2 292.810 2.014 20 30 CEEDLO N#Cc1ccsc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131255 347626735 /nfs/dbraw/zinc/62/67/35/347626735.db2.gz LEQRDNMZJYPETQ-GFCCVEGCSA-N 1 2 286.360 2.294 20 30 CEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609486538 347640139 /nfs/dbraw/zinc/64/01/39/347640139.db2.gz MBONCMSCJSEAMB-KRWDZBQOSA-N 1 2 282.391 2.224 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000609545507 347642611 /nfs/dbraw/zinc/64/26/11/347642611.db2.gz RDLLIACNGFDYIM-ZYHUDNBSSA-N 1 2 277.755 2.337 20 30 CEEDLO N#Cc1cccc(C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000610010099 347657636 /nfs/dbraw/zinc/65/76/36/347657636.db2.gz WFNLUKVLBBQPBQ-UHFFFAOYSA-N 1 2 291.152 2.334 20 30 CEEDLO CCN(CCC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610559344 347692155 /nfs/dbraw/zinc/69/21/55/347692155.db2.gz BWYPVEKGUIFDKL-UHFFFAOYSA-N 1 2 257.297 2.102 20 30 CEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(N(C)C)nc1)C1CC1 ZINC000611276143 347762744 /nfs/dbraw/zinc/76/27/44/347762744.db2.gz XGKDCEDVMRLAGS-LBPRGKRZSA-N 1 2 258.369 2.272 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(N(C)C)nc1)C1CC1 ZINC000611276143 347762748 /nfs/dbraw/zinc/76/27/48/347762748.db2.gz XGKDCEDVMRLAGS-LBPRGKRZSA-N 1 2 258.369 2.272 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccn1 ZINC000610991392 347728550 /nfs/dbraw/zinc/72/85/50/347728550.db2.gz HSSDJBMJVFWVFY-ZDUSSCGKSA-N 1 2 267.336 2.056 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccn1 ZINC000610991392 347728553 /nfs/dbraw/zinc/72/85/53/347728553.db2.gz HSSDJBMJVFWVFY-ZDUSSCGKSA-N 1 2 267.336 2.056 20 30 CEEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1Cl ZINC000611209945 347751609 /nfs/dbraw/zinc/75/16/09/347751609.db2.gz ROMZKKGFDHCVBC-UHFFFAOYSA-N 1 2 293.798 2.380 20 30 CEEDLO N#Cc1ccc(Nc2ccc(NC3CCCC3)[nH+]c2)nn1 ZINC000611240516 347757215 /nfs/dbraw/zinc/75/72/15/347757215.db2.gz ZJLPPBNVIXOARZ-UHFFFAOYSA-N 1 2 280.335 2.263 20 30 CEEDLO C=C(C)C[N@@H+](C)Cc1csc(C(=O)OCC)n1 ZINC000611501133 347786068 /nfs/dbraw/zinc/78/60/68/347786068.db2.gz YWBSSDPRKUFIQJ-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO C=C(C)C[N@H+](C)Cc1csc(C(=O)OCC)n1 ZINC000611501133 347786071 /nfs/dbraw/zinc/78/60/71/347786071.db2.gz YWBSSDPRKUFIQJ-UHFFFAOYSA-N 1 2 254.355 2.328 20 30 CEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC=CCC3)o2)cc1 ZINC000611517195 347789088 /nfs/dbraw/zinc/78/90/88/347789088.db2.gz HQQJLMNZAOUJKD-UHFFFAOYSA-N 1 2 266.304 2.370 20 30 CEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC=CCC3)o2)cc1 ZINC000611517195 347789089 /nfs/dbraw/zinc/78/90/89/347789089.db2.gz HQQJLMNZAOUJKD-UHFFFAOYSA-N 1 2 266.304 2.370 20 30 CEEDLO CCc1nnc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000612120760 347846893 /nfs/dbraw/zinc/84/68/93/347846893.db2.gz REPJXCUXPSJATJ-UHFFFAOYSA-N 1 2 250.371 2.226 20 30 CEEDLO Cn1nnc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)ccc21 ZINC000612164695 347852143 /nfs/dbraw/zinc/85/21/43/347852143.db2.gz FDSZGQWMQZONKX-OAHLLOKOSA-N 1 2 269.352 2.094 20 30 CEEDLO Cn1nnc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)ccc21 ZINC000612164695 347852148 /nfs/dbraw/zinc/85/21/48/347852148.db2.gz FDSZGQWMQZONKX-OAHLLOKOSA-N 1 2 269.352 2.094 20 30 CEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163673 347852400 /nfs/dbraw/zinc/85/24/00/347852400.db2.gz VVWZXNFJKSYJNC-QAPCUYQASA-N 1 2 299.418 2.359 20 30 CEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163673 347852402 /nfs/dbraw/zinc/85/24/02/347852402.db2.gz VVWZXNFJKSYJNC-QAPCUYQASA-N 1 2 299.418 2.359 20 30 CEEDLO C[C@]1(C#N)CCCN(Cc2c[nH+]c3ccccn23)C1 ZINC000612166944 347853275 /nfs/dbraw/zinc/85/32/75/347853275.db2.gz FVFUQENPDDRAIB-OAHLLOKOSA-N 1 2 254.337 2.460 20 30 CEEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000612166944 347853279 /nfs/dbraw/zinc/85/32/79/347853279.db2.gz FVFUQENPDDRAIB-OAHLLOKOSA-N 1 2 254.337 2.460 20 30 CEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000612166944 347853282 /nfs/dbraw/zinc/85/32/82/347853282.db2.gz FVFUQENPDDRAIB-OAHLLOKOSA-N 1 2 254.337 2.460 20 30 CEEDLO Cc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)c(C)c[nH+]1 ZINC000612321252 347869346 /nfs/dbraw/zinc/86/93/46/347869346.db2.gz SUTCWMVFJWFMFO-OAHLLOKOSA-N 1 2 272.352 2.278 20 30 CEEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614595576 348220447 /nfs/dbraw/zinc/22/04/47/348220447.db2.gz ZTDPBUVNVSMDSD-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614595576 348220450 /nfs/dbraw/zinc/22/04/50/348220450.db2.gz ZTDPBUVNVSMDSD-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000614401076 348193585 /nfs/dbraw/zinc/19/35/85/348193585.db2.gz ZZELQYHDWMPFSF-NQCMUKECSA-N 1 2 276.405 2.208 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000614401076 348193590 /nfs/dbraw/zinc/19/35/90/348193590.db2.gz ZZELQYHDWMPFSF-NQCMUKECSA-N 1 2 276.405 2.208 20 30 CEEDLO C=CC[C@H](CO)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000273328955 192114932 /nfs/dbraw/zinc/11/49/32/192114932.db2.gz QSSLLNWEKNAGKO-CQSZACIVSA-N 1 2 284.363 2.450 20 30 CEEDLO C=CCNC(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000066540468 362871822 /nfs/dbraw/zinc/87/18/22/362871822.db2.gz XQWSVTMPBKSZLP-GOSISDBHSA-N 1 2 295.386 2.405 20 30 CEEDLO C=CCNC(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000066540468 362871826 /nfs/dbraw/zinc/87/18/26/362871826.db2.gz XQWSVTMPBKSZLP-GOSISDBHSA-N 1 2 295.386 2.405 20 30 CEEDLO C=CCCOCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623306764 349983973 /nfs/dbraw/zinc/98/39/73/349983973.db2.gz TXPPZSOMFSRBFJ-AWEZNQCLSA-N 1 2 291.395 2.077 20 30 CEEDLO C[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cn3)c2C1 ZINC000568823622 299155430 /nfs/dbraw/zinc/15/54/30/299155430.db2.gz WKZXYFVTFRNTCV-UHFFFAOYSA-N 1 2 278.315 2.151 20 30 CEEDLO C[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cn3)c2C1 ZINC000568823622 299155433 /nfs/dbraw/zinc/15/54/33/299155433.db2.gz WKZXYFVTFRNTCV-UHFFFAOYSA-N 1 2 278.315 2.151 20 30 CEEDLO COc1cc[nH+]c(CN2CCC[C@@](C)(C#N)C2)c1OC ZINC000616114264 348442538 /nfs/dbraw/zinc/44/25/38/348442538.db2.gz PZGGYRUDOOBRRM-HNNXBMFYSA-N 1 2 275.352 2.224 20 30 CEEDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(C#N)c(F)c1 ZINC000616758925 348572964 /nfs/dbraw/zinc/57/29/64/348572964.db2.gz PDLMZFHHHCLWSV-UHFFFAOYSA-N 1 2 295.321 2.372 20 30 CEEDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(C#N)c(F)c1 ZINC000616758925 348572966 /nfs/dbraw/zinc/57/29/66/348572966.db2.gz PDLMZFHHHCLWSV-UHFFFAOYSA-N 1 2 295.321 2.372 20 30 CEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000617041715 348620897 /nfs/dbraw/zinc/62/08/97/348620897.db2.gz HTVJOVIQAKDANW-GXTWGEPZSA-N 1 2 261.369 2.214 20 30 CEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1c[nH+]cn1C ZINC000357603495 233106369 /nfs/dbraw/zinc/10/63/69/233106369.db2.gz ORULBXOLVGSOQD-UHFFFAOYSA-N 1 2 295.321 2.322 20 30 CEEDLO C=C[C@H]([NH2+]CCc1c(C)[nH]c2ccccc21)C(=O)OC ZINC000619701891 349222883 /nfs/dbraw/zinc/22/28/83/349222883.db2.gz YSTBCXJBXJZGKV-AWEZNQCLSA-N 1 2 272.348 2.336 20 30 CEEDLO C=C[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCCC2)C(=O)OC ZINC000619703212 349223988 /nfs/dbraw/zinc/22/39/88/349223988.db2.gz XURWSTRFHLSZSX-RWMBFGLXSA-N 1 2 267.369 2.041 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000619716926 349226403 /nfs/dbraw/zinc/22/64/03/349226403.db2.gz CMTYUJOIUYQAEY-HIFRSBDPSA-N 1 2 275.348 2.212 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000619716926 349226405 /nfs/dbraw/zinc/22/64/05/349226405.db2.gz CMTYUJOIUYQAEY-HIFRSBDPSA-N 1 2 275.348 2.212 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000619721663 349228951 /nfs/dbraw/zinc/22/89/51/349228951.db2.gz LOUYGRYQHUZUOF-OAHLLOKOSA-N 1 2 259.349 2.389 20 30 CEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000619721663 349228954 /nfs/dbraw/zinc/22/89/54/349228954.db2.gz LOUYGRYQHUZUOF-OAHLLOKOSA-N 1 2 259.349 2.389 20 30 CEEDLO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CC2(C#N)CC2)c1 ZINC000619723451 349229704 /nfs/dbraw/zinc/22/97/04/349229704.db2.gz ZQRBTQQFNRPUGZ-ZFWWWQNUSA-N 1 2 272.348 2.107 20 30 CEEDLO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2CC2(C#N)CC2)c1 ZINC000619723451 349229705 /nfs/dbraw/zinc/22/97/05/349229705.db2.gz ZQRBTQQFNRPUGZ-ZFWWWQNUSA-N 1 2 272.348 2.107 20 30 CEEDLO C=C[C@H]([NH2+]CC1CC(c2ccccc2)C1)C(=O)OC ZINC000619856123 349240388 /nfs/dbraw/zinc/24/03/88/349240388.db2.gz 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299.296 2.059 20 30 CEEDLO C[N@@H+](CCC(F)(F)F)CC(=O)NCc1ccc(C#N)cc1 ZINC000338257510 366257578 /nfs/dbraw/zinc/25/75/78/366257578.db2.gz QEGFMFSSEYAOND-UHFFFAOYSA-N 1 2 299.296 2.059 20 30 CEEDLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000135484278 366445273 /nfs/dbraw/zinc/44/52/73/366445273.db2.gz LJFJHOJQHCYISP-LLVKDONJSA-N 1 2 295.433 2.386 20 30 CEEDLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000135484278 366445279 /nfs/dbraw/zinc/44/52/79/366445279.db2.gz LJFJHOJQHCYISP-LLVKDONJSA-N 1 2 295.433 2.386 20 30 CEEDLO Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)nc1C#N ZINC000338640240 366450016 /nfs/dbraw/zinc/45/00/16/366450016.db2.gz TZTKULZMNDVHEY-UHFFFAOYSA-N 1 2 277.331 2.215 20 30 CEEDLO Cc1cc(C#N)cc(NCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000338639642 366450835 /nfs/dbraw/zinc/45/08/35/366450835.db2.gz RQMDNELGZSCJQK-UHFFFAOYSA-N 1 2 277.331 2.215 20 30 CEEDLO Cn1cnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000571468724 299311717 /nfs/dbraw/zinc/31/17/17/299311717.db2.gz 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364204198 /nfs/dbraw/zinc/20/41/98/364204198.db2.gz ZIZCWIZUABTFOX-UHFFFAOYSA-N 1 2 288.391 2.304 20 30 CEEDLO CC[N@@H+](CC(=O)N(C)Cc1cccs1)C[C@@H](C)C#N ZINC000157636524 366846602 /nfs/dbraw/zinc/84/66/02/366846602.db2.gz RDFFSQXNHNMIDX-LBPRGKRZSA-N 1 2 279.409 2.188 20 30 CEEDLO CC[N@H+](CC(=O)N(C)Cc1cccs1)C[C@@H](C)C#N ZINC000157636524 366846608 /nfs/dbraw/zinc/84/66/08/366846608.db2.gz RDFFSQXNHNMIDX-LBPRGKRZSA-N 1 2 279.409 2.188 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C#N)C(C)C)cc2n1C ZINC000335370196 364695226 /nfs/dbraw/zinc/69/52/26/364695226.db2.gz QTCRKWFSDREKID-CYBMUJFWSA-N 1 2 270.336 2.160 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000335405914 364701343 /nfs/dbraw/zinc/70/13/43/364701343.db2.gz ATQREJCFBFOQNR-INIZCTEOSA-N 1 2 291.391 2.385 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000335405914 364701347 /nfs/dbraw/zinc/70/13/47/364701347.db2.gz ATQREJCFBFOQNR-INIZCTEOSA-N 1 2 291.391 2.385 20 30 CEEDLO N#CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 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Cc1c[nH+]ccc1CCNc1ncc2c(c1C#N)CCC2 ZINC000563019307 377062267 /nfs/dbraw/zinc/06/22/67/377062267.db2.gz UVJFVTMRCIRSHT-UHFFFAOYSA-N 1 2 278.359 2.222 20 30 CEEDLO Cc1ccc(NC(=O)N2CC3(C2)CCOCC3)c(C)[nH+]1 ZINC000330328615 377090082 /nfs/dbraw/zinc/09/00/82/377090082.db2.gz LVYFHNUNXMOHLH-UHFFFAOYSA-N 1 2 275.352 2.356 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000330345687 377094799 /nfs/dbraw/zinc/09/47/99/377094799.db2.gz FMVSLFKAUQKQJP-RYUDHWBXSA-N 1 2 275.352 2.236 20 30 CEEDLO CC[C@H](C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330978797 377221770 /nfs/dbraw/zinc/22/17/70/377221770.db2.gz WOWFCJYSKOSFLI-AAEUAGOBSA-N 1 2 263.341 2.247 20 30 CEEDLO Cc1cc(N2CC[C@@H](OCc3ccccn3)C2)c(C#N)c[nH+]1 ZINC000574314313 299484957 /nfs/dbraw/zinc/48/49/57/299484957.db2.gz NIEWPMWIFLJMIN-MRXNPFEDSA-N 1 2 294.358 2.452 20 30 CEEDLO CCC(=O)N1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000425517452 377359108 /nfs/dbraw/zinc/35/91/08/377359108.db2.gz WSHLKYIODVXSFU-UHFFFAOYSA-N 1 2 263.385 2.362 20 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252.358 2.248 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000565044045 377542125 /nfs/dbraw/zinc/54/21/25/377542125.db2.gz MHPVKJQEUUHJNS-PHIMTYICSA-N 1 2 275.308 2.076 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000565044045 377542131 /nfs/dbraw/zinc/54/21/31/377542131.db2.gz MHPVKJQEUUHJNS-PHIMTYICSA-N 1 2 275.308 2.076 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000565051342 377544071 /nfs/dbraw/zinc/54/40/71/377544071.db2.gz LFBMDOAFRQYLIH-KRWDZBQOSA-N 1 2 298.390 2.061 20 30 CEEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccon1 ZINC000265781154 190206467 /nfs/dbraw/zinc/20/64/67/190206467.db2.gz KOPNQFCBNDFEME-UHFFFAOYSA-N 1 2 284.319 2.007 20 30 CEEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccon1 ZINC000265781154 190206468 /nfs/dbraw/zinc/20/64/68/190206468.db2.gz KOPNQFCBNDFEME-UHFFFAOYSA-N 1 2 284.319 2.007 20 30 CEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2cncnc2C1 ZINC000332518722 377628374 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C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433298637 377785665 /nfs/dbraw/zinc/78/56/65/377785665.db2.gz APJPSSCWWQOWSC-CHWSQXEVSA-N 1 2 265.401 2.163 20 30 CEEDLO COc1cc[nH+]c(Cn2nc(C#N)c3ccccc32)c1OC ZINC000432475586 377767821 /nfs/dbraw/zinc/76/78/21/377767821.db2.gz KETNCGNJLVLWCS-UHFFFAOYSA-N 1 2 294.314 2.368 20 30 CEEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567049183 377796527 /nfs/dbraw/zinc/79/65/27/377796527.db2.gz CCYAKYYVBVMKIO-LBPRGKRZSA-N 1 2 292.346 2.189 20 30 CEEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567049183 377796533 /nfs/dbraw/zinc/79/65/33/377796533.db2.gz CCYAKYYVBVMKIO-LBPRGKRZSA-N 1 2 292.346 2.189 20 30 CEEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000294096842 377903004 /nfs/dbraw/zinc/90/30/04/377903004.db2.gz ZZBKBMWNLZMZIW-CQSZACIVSA-N 1 2 294.301 2.030 20 30 CEEDLO C=CCCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294740969 378017021 /nfs/dbraw/zinc/01/70/21/378017021.db2.gz LGZSVJQRDHIESJ-CQSZACIVSA-N 1 2 290.342 2.216 20 30 CEEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(F)F ZINC000449414448 378212468 /nfs/dbraw/zinc/21/24/68/378212468.db2.gz MBQFZOCSVUXYQN-VIFPVBQESA-N 1 2 264.279 2.339 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000448628487 378176745 /nfs/dbraw/zinc/17/67/45/378176745.db2.gz ASSZSYXQTRFYLW-CXAGYDPISA-N 1 2 294.358 2.097 20 30 CEEDLO Cc1[nH]c2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc2[nH+]1 ZINC000448622685 378177076 /nfs/dbraw/zinc/17/70/76/378177076.db2.gz ATYPCFAJEVNJMR-RTHLEPHNSA-N 1 2 254.293 2.360 20 30 CEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C(C)C)CC1 ZINC000295958365 378369723 /nfs/dbraw/zinc/36/97/23/378369723.db2.gz HYVUEDKVTKWXQV-CQSZACIVSA-N 1 2 289.427 2.128 20 30 CEEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)CCN1CC1(C#N)CCC1 ZINC000450575686 378483304 /nfs/dbraw/zinc/48/33/04/378483304.db2.gz LCPLRJVWASYTTN-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)CCN1CC1(C#N)CCC1 ZINC000450575686 378483307 /nfs/dbraw/zinc/48/33/07/378483307.db2.gz LCPLRJVWASYTTN-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO C[C@@H]1CN(CC2(C#N)CCC2)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450575686 378483311 /nfs/dbraw/zinc/48/33/11/378483311.db2.gz LCPLRJVWASYTTN-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO C[C@@H]1CN(CC2(C#N)CCC2)CC[N@H+]1CC1(C#N)CCC1 ZINC000450575686 378483314 /nfs/dbraw/zinc/48/33/14/378483314.db2.gz LCPLRJVWASYTTN-OAHLLOKOSA-N 1 2 286.423 2.380 20 30 CEEDLO COC[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000451939601 378726047 /nfs/dbraw/zinc/72/60/47/378726047.db2.gz WUMAYQOAMIWHSB-OAHLLOKOSA-N 1 2 294.782 2.042 20 30 CEEDLO COC[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000451939601 378726052 /nfs/dbraw/zinc/72/60/52/378726052.db2.gz WUMAYQOAMIWHSB-OAHLLOKOSA-N 1 2 294.782 2.042 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000347215238 218157732 /nfs/dbraw/zinc/15/77/32/218157732.db2.gz SMIJUAOKQFQZQH-UHFFFAOYSA-N 1 2 299.349 2.477 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000347215238 218157734 /nfs/dbraw/zinc/15/77/34/218157734.db2.gz SMIJUAOKQFQZQH-UHFFFAOYSA-N 1 2 299.349 2.477 20 30 CEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccccc2n1 ZINC000516230092 379267799 /nfs/dbraw/zinc/26/77/99/379267799.db2.gz FDSURPQOWDAGES-KRWDZBQOSA-N 1 2 296.374 2.117 20 30 CEEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2)c1 ZINC000302788582 379452312 /nfs/dbraw/zinc/45/23/12/379452312.db2.gz XLLZPOZXZHGYDS-UHFFFAOYSA-N 1 2 269.264 2.056 20 30 CEEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000266918624 190290666 /nfs/dbraw/zinc/29/06/66/190290666.db2.gz LHGOAGNSFKWPNX-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000266918624 190290667 /nfs/dbraw/zinc/29/06/67/190290667.db2.gz LHGOAGNSFKWPNX-GFCCVEGCSA-N 1 2 272.348 2.171 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529175547 380169490 /nfs/dbraw/zinc/16/94/90/380169490.db2.gz ZPHOOALKYWJUNH-FZMZJTMJSA-N 1 2 291.782 2.333 20 30 CEEDLO C[C@@H](C#N)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529175547 380169493 /nfs/dbraw/zinc/16/94/93/380169493.db2.gz ZPHOOALKYWJUNH-FZMZJTMJSA-N 1 2 291.782 2.333 20 30 CEEDLO CCC(C#N)(CC)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000529472215 380176214 /nfs/dbraw/zinc/17/62/14/380176214.db2.gz BIYNWMHDLJKOBK-UHFFFAOYSA-N 1 2 280.397 2.473 20 30 CEEDLO CCC1(O)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000268323936 190395572 /nfs/dbraw/zinc/39/55/72/190395572.db2.gz UZQUBLZOHWAYHG-UHFFFAOYSA-N 1 2 262.328 2.434 20 30 CEEDLO C[C@@H](CC#N)[N@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000538618380 380246029 /nfs/dbraw/zinc/24/60/29/380246029.db2.gz BZPDTHGEMDFRHB-LBPRGKRZSA-N 1 2 272.352 2.366 20 30 CEEDLO C[C@@H](CC#N)[N@@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000538618380 380246035 /nfs/dbraw/zinc/24/60/35/380246035.db2.gz BZPDTHGEMDFRHB-LBPRGKRZSA-N 1 2 272.352 2.366 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000334181121 380250208 /nfs/dbraw/zinc/25/02/08/380250208.db2.gz DWDXHSHNPKPKNU-OAHLLOKOSA-N 1 2 294.358 2.116 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(F)cc1 ZINC000491348728 380308296 /nfs/dbraw/zinc/30/82/96/380308296.db2.gz FFPRJJLJUDMONW-CQSZACIVSA-N 1 2 288.347 2.450 20 30 CEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000279076130 194273100 /nfs/dbraw/zinc/27/31/00/194273100.db2.gz RLHWSSUWUBWUPM-GDBMZVCRSA-N 1 2 299.374 2.240 20 30 CEEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492790803 380688471 /nfs/dbraw/zinc/68/84/71/380688471.db2.gz MMKQWJHOTNYLFF-LBPRGKRZSA-N 1 2 267.373 2.231 20 30 CEEDLO C#CCCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000192119623 533008966 /nfs/dbraw/zinc/00/89/66/533008966.db2.gz SRQOOQSPKSJYPT-OAHLLOKOSA-N 1 2 285.391 2.090 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000335241558 208008423 /nfs/dbraw/zinc/00/84/23/208008423.db2.gz PYKCSEAPQKOADK-CQSZACIVSA-N 1 2 286.379 2.425 20 30 CEEDLO Cc1c(C#N)cccc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000335241558 208008431 /nfs/dbraw/zinc/00/84/31/208008431.db2.gz PYKCSEAPQKOADK-CQSZACIVSA-N 1 2 286.379 2.425 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1F ZINC000335409738 208393280 /nfs/dbraw/zinc/39/32/80/208393280.db2.gz VKRNQVCYIHPLQY-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1F ZINC000335409738 208393286 /nfs/dbraw/zinc/39/32/86/208393286.db2.gz VKRNQVCYIHPLQY-OAHLLOKOSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1F ZINC000335409737 208395061 /nfs/dbraw/zinc/39/50/61/208395061.db2.gz VKRNQVCYIHPLQY-HNNXBMFYSA-N 1 2 292.379 2.405 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1F ZINC000335409737 208395065 /nfs/dbraw/zinc/39/50/65/208395065.db2.gz VKRNQVCYIHPLQY-HNNXBMFYSA-N 1 2 292.379 2.405 20 30 CEEDLO Cc1cccn2cc(C[S@@](=O)CCCC#N)[nH+]c12 ZINC000190817017 262185913 /nfs/dbraw/zinc/18/59/13/262185913.db2.gz AXWHSDQROHRYEF-SFHVURJKSA-N 1 2 261.350 2.195 20 30 CEEDLO CCOC(=O)c1coc(C[NH2+][C@H](CC)CC#N)c1 ZINC000354649085 262279639 /nfs/dbraw/zinc/27/96/39/262279639.db2.gz NRZQUPZXMSVDLQ-LLVKDONJSA-N 1 2 250.298 2.238 20 30 CEEDLO C[C@H]1CCN(c2cnccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000271224740 135093283 /nfs/dbraw/zinc/09/32/83/135093283.db2.gz DSPQQWUDEYNPCD-SWLSCSKDSA-N 1 2 267.336 2.237 20 30 CEEDLO C=C(C)COCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301874920 394467080 /nfs/dbraw/zinc/46/70/80/394467080.db2.gz GJJMGKUDQSKDHF-UHFFFAOYSA-N 1 2 258.325 2.217 20 30 CEEDLO CN(Cc1[nH+]ccn1C)c1cc(C#N)nc2ccccc21 ZINC000301930964 394469064 /nfs/dbraw/zinc/46/90/64/394469064.db2.gz OJNPOFFKKBSQQP-UHFFFAOYSA-N 1 2 277.331 2.476 20 30 CEEDLO COc1ccc(Br)c(C[NH2+]CCC#N)c1 ZINC000225690027 394469248 /nfs/dbraw/zinc/46/92/48/394469248.db2.gz SWNQDIVWXJUTDK-UHFFFAOYSA-N 1 2 269.142 2.461 20 30 CEEDLO CCCC[C@H]([NH2+]CCc1cccc(C#N)c1)C(=O)OC ZINC000355680477 394500126 /nfs/dbraw/zinc/50/01/26/394500126.db2.gz IFGLMZVFIXEVFE-HNNXBMFYSA-N 1 2 274.364 2.422 20 30 CEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000042293096 394502884 /nfs/dbraw/zinc/50/28/84/394502884.db2.gz FNYOAIIGHKTHNE-LSDHHAIUSA-N 1 2 260.312 2.451 20 30 CEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000042293096 394502888 /nfs/dbraw/zinc/50/28/88/394502888.db2.gz FNYOAIIGHKTHNE-LSDHHAIUSA-N 1 2 260.312 2.451 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329462823 394565089 /nfs/dbraw/zinc/56/50/89/394565089.db2.gz QGYHNHWUSNDPOE-SNVBAGLBSA-N 1 2 281.381 2.232 20 30 CEEDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCOCC2(CC2)C1 ZINC000329462823 394565091 /nfs/dbraw/zinc/56/50/91/394565091.db2.gz QGYHNHWUSNDPOE-SNVBAGLBSA-N 1 2 281.381 2.232 20 30 CEEDLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329597200 394575735 /nfs/dbraw/zinc/57/57/35/394575735.db2.gz CLFFPJOXMIARQQ-BFHYXJOUSA-N 1 2 276.384 2.356 20 30 CEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1C=CCCC1 ZINC000329923758 394595126 /nfs/dbraw/zinc/59/51/26/394595126.db2.gz UPHZYVQWMWPPDN-STQMWFEESA-N 1 2 274.368 2.058 20 30 CEEDLO CCC1(C)CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329817009 394587271 /nfs/dbraw/zinc/58/72/71/394587271.db2.gz OGIYHSJPLGAWST-GFCCVEGCSA-N 1 2 276.384 2.406 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000092316159 394660896 /nfs/dbraw/zinc/66/08/96/394660896.db2.gz CHZLLVCHKCPURU-LBPRGKRZSA-N 1 2 275.352 2.408 20 30 CEEDLO C[C@@H]1CCN(C(=O)NCC2(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000329923754 394595280 /nfs/dbraw/zinc/59/52/80/394595280.db2.gz UONAXUDDQGOLDJ-OLZOCXBDSA-N 1 2 276.384 2.480 20 30 CEEDLO C[C@@H]1CCN(C([O-])=[NH+]CC2(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000329923754 394595284 /nfs/dbraw/zinc/59/52/84/394595284.db2.gz UONAXUDDQGOLDJ-OLZOCXBDSA-N 1 2 276.384 2.480 20 30 CEEDLO Cc1nnsc1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000330421654 394608426 /nfs/dbraw/zinc/60/84/26/394608426.db2.gz HFAAXSOLIQDGEP-MRVPVSSYSA-N 1 2 265.342 2.272 20 30 CEEDLO CCC1(C/[NH+]=C/c2c(CO)cnc(C)c2O)CCOCC1 ZINC000266758858 394668658 /nfs/dbraw/zinc/66/86/58/394668658.db2.gz VALBEVJFSGODNP-RQZCQDPDSA-N 1 2 292.379 2.214 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000271148456 394748544 /nfs/dbraw/zinc/74/85/44/394748544.db2.gz ZXWMMIMBLWURBZ-NSHDSACASA-N 1 2 278.352 2.304 20 30 CEEDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000271148456 394748548 /nfs/dbraw/zinc/74/85/48/394748548.db2.gz ZXWMMIMBLWURBZ-NSHDSACASA-N 1 2 278.352 2.304 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CCc3ccc(F)c(F)c3C2)C1=O ZINC000334388184 394681215 /nfs/dbraw/zinc/68/12/15/394681215.db2.gz QHCNIKYILHITFW-AWEZNQCLSA-N 1 2 292.329 2.110 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CCc3ccc(F)c(F)c3C2)C1=O ZINC000334388184 394681219 /nfs/dbraw/zinc/68/12/19/394681219.db2.gz QHCNIKYILHITFW-AWEZNQCLSA-N 1 2 292.329 2.110 20 30 CEEDLO CC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCOCC1 ZINC000267785175 394685067 /nfs/dbraw/zinc/68/50/67/394685067.db2.gz OJYNSWPHJVOARU-OVCLIPMQSA-N 1 2 265.309 2.039 20 30 CEEDLO COC(=O)[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000414481045 394745462 /nfs/dbraw/zinc/74/54/62/394745462.db2.gz BJQSUTUNDXXRIZ-AGIUHOORSA-N 1 2 250.342 2.000 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000268294827 394691988 /nfs/dbraw/zinc/69/19/88/394691988.db2.gz KLCSLRFENRVHAH-CABCVRRESA-N 1 2 276.380 2.277 20 30 CEEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000268294827 394691991 /nfs/dbraw/zinc/69/19/91/394691991.db2.gz KLCSLRFENRVHAH-CABCVRRESA-N 1 2 276.380 2.277 20 30 CEEDLO CC(=O)N1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000268670887 394697814 /nfs/dbraw/zinc/69/78/14/394697814.db2.gz KCKDVAQTQRALIM-CYBMUJFWSA-N 1 2 290.794 2.244 20 30 CEEDLO CC(=O)N1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000268670887 394697815 /nfs/dbraw/zinc/69/78/15/394697815.db2.gz KCKDVAQTQRALIM-CYBMUJFWSA-N 1 2 290.794 2.244 20 30 CEEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000271113592 394747782 /nfs/dbraw/zinc/74/77/82/394747782.db2.gz CZEYVJONNWESDI-QWHCGFSZSA-N 1 2 290.363 2.218 20 30 CEEDLO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000271113592 394747784 /nfs/dbraw/zinc/74/77/84/394747784.db2.gz CZEYVJONNWESDI-QWHCGFSZSA-N 1 2 290.363 2.218 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC(C)(C)C#N ZINC000359651044 394768335 /nfs/dbraw/zinc/76/83/35/394768335.db2.gz PNFLJNUCZATKJJ-UHFFFAOYSA-N 1 2 284.363 2.265 20 30 CEEDLO C=CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000359704097 394772394 /nfs/dbraw/zinc/77/23/94/394772394.db2.gz CXOWXHOGEKFNCA-GFCCVEGCSA-N 1 2 259.353 2.061 20 30 CEEDLO N#CCCCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360211658 394793545 /nfs/dbraw/zinc/79/35/45/394793545.db2.gz JKAIVXKUJRXWOH-UHFFFAOYSA-N 1 2 268.320 2.182 20 30 CEEDLO N#CCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121760761 394804076 /nfs/dbraw/zinc/80/40/76/394804076.db2.gz NFNFKYUAZSNRPW-OLZOCXBDSA-N 1 2 280.393 2.176 20 30 CEEDLO N#CCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121760761 394804080 /nfs/dbraw/zinc/80/40/80/394804080.db2.gz NFNFKYUAZSNRPW-OLZOCXBDSA-N 1 2 280.393 2.176 20 30 CEEDLO Cc1nnc([C@H](C)O[NH+]=C(N)c2cccc(Cl)c2)o1 ZINC000122184411 394810379 /nfs/dbraw/zinc/81/03/79/394810379.db2.gz ODEUTNRCGGXILM-ZETCQYMHSA-N 1 2 280.715 2.430 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000361108537 394815806 /nfs/dbraw/zinc/81/58/06/394815806.db2.gz CMLGELJUBBQFNV-DGAVXFQQSA-N 1 2 269.385 2.145 20 30 CEEDLO C=CCOC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)C(=O)OC ZINC000361109445 394816056 /nfs/dbraw/zinc/81/60/56/394816056.db2.gz MUNYVBPFOSBVQX-HOCLYGCPSA-N 1 2 291.391 2.260 20 30 CEEDLO C=CCOC[C@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000361114030 394817052 /nfs/dbraw/zinc/81/70/52/394817052.db2.gz QBCUUCQROMETTN-AWEZNQCLSA-N 1 2 269.385 2.291 20 30 CEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC(C)(C)OC1=O ZINC000123720070 394831170 /nfs/dbraw/zinc/83/11/70/394831170.db2.gz VUCBOTJUCVZHFD-UHFFFAOYSA-N 1 2 273.336 2.178 20 30 CEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC(C)(C)OC1=O ZINC000123720070 394831173 /nfs/dbraw/zinc/83/11/73/394831173.db2.gz VUCBOTJUCVZHFD-UHFFFAOYSA-N 1 2 273.336 2.178 20 30 CEEDLO Cc1cn2cc(NC(=O)[C@]3(C#N)C[C@@H]3C)ccc2[nH+]1 ZINC000336250160 394836207 /nfs/dbraw/zinc/83/62/07/394836207.db2.gz PKKBOOJVMCYZJG-XPTSAGLGSA-N 1 2 254.293 2.131 20 30 CEEDLO C=C[C@@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000362378834 394858041 /nfs/dbraw/zinc/85/80/41/394858041.db2.gz HGHMQAQTHSCZLZ-GFCCVEGCSA-N 1 2 270.336 2.246 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)C1=O ZINC000282078951 394908001 /nfs/dbraw/zinc/90/80/01/394908001.db2.gz UHDJYEXIOIYDQZ-OAHLLOKOSA-N 1 2 290.794 2.485 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)C1=O ZINC000282078951 394908004 /nfs/dbraw/zinc/90/80/04/394908004.db2.gz UHDJYEXIOIYDQZ-OAHLLOKOSA-N 1 2 290.794 2.485 20 30 CEEDLO C[C@H](C#N)CN(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000338295002 394911474 /nfs/dbraw/zinc/91/14/74/394911474.db2.gz GDCRGFLKKOKMOM-LLVKDONJSA-N 1 2 268.320 2.099 20 30 CEEDLO C=CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000338564685 394922950 /nfs/dbraw/zinc/92/29/50/394922950.db2.gz SOZDQAYOGLSCFT-ZDUSSCGKSA-N 1 2 264.756 2.389 20 30 CEEDLO C=CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000338564685 394922953 /nfs/dbraw/zinc/92/29/53/394922953.db2.gz SOZDQAYOGLSCFT-ZDUSSCGKSA-N 1 2 264.756 2.389 20 30 CEEDLO OC[C@]1(F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000338622116 394924885 /nfs/dbraw/zinc/92/48/85/394924885.db2.gz BDJLPPCYKLOFQY-AWEZNQCLSA-N 1 2 267.731 2.098 20 30 CEEDLO OC[C@]1(F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000338622116 394924888 /nfs/dbraw/zinc/92/48/88/394924888.db2.gz BDJLPPCYKLOFQY-AWEZNQCLSA-N 1 2 267.731 2.098 20 30 CEEDLO Cc1nc(C2([NH2+]CCOCCC#N)CCCCC2)no1 ZINC000339027327 394937235 /nfs/dbraw/zinc/93/72/35/394937235.db2.gz LZTKEJUXVKWYDR-UHFFFAOYSA-N 1 2 278.356 2.057 20 30 CEEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366543734 394947898 /nfs/dbraw/zinc/94/78/98/394947898.db2.gz JCXBSKUZGLBUCA-JKSUJKDBSA-N 1 2 272.348 2.342 20 30 CEEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366543734 394947901 /nfs/dbraw/zinc/94/79/01/394947901.db2.gz JCXBSKUZGLBUCA-JKSUJKDBSA-N 1 2 272.348 2.342 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368522416 394987760 /nfs/dbraw/zinc/98/77/60/394987760.db2.gz OAIYIFDDGDNZRY-SWLSCSKDSA-N 1 2 260.312 2.308 20 30 CEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368522416 394987766 /nfs/dbraw/zinc/98/77/66/394987766.db2.gz OAIYIFDDGDNZRY-SWLSCSKDSA-N 1 2 260.312 2.308 20 30 CEEDLO C=CCC(CC=C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286001278 394998653 /nfs/dbraw/zinc/99/86/53/394998653.db2.gz YKNRMIRDHHJJFK-HOCLYGCPSA-N 1 2 292.423 2.076 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]1c1nccs1 ZINC000370782274 395012015 /nfs/dbraw/zinc/01/20/15/395012015.db2.gz JJYNGCIZEGHYQM-RYUDHWBXSA-N 1 2 292.408 2.041 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]1c1nccs1 ZINC000370782274 395012018 /nfs/dbraw/zinc/01/20/18/395012018.db2.gz JJYNGCIZEGHYQM-RYUDHWBXSA-N 1 2 292.408 2.041 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000135145234 394963503 /nfs/dbraw/zinc/96/35/03/394963503.db2.gz WDZGVYZKFYKTNR-CZUORRHYSA-N 1 2 273.380 2.379 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)[S@]1=O ZINC000285798962 394965010 /nfs/dbraw/zinc/96/50/10/394965010.db2.gz FRUHTMLRJRRXGS-IOHHAYIISA-N 1 2 276.405 2.290 20 30 CEEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C)[S@]1=O ZINC000285798962 394965011 /nfs/dbraw/zinc/96/50/11/394965011.db2.gz FRUHTMLRJRRXGS-IOHHAYIISA-N 1 2 276.405 2.290 20 30 CEEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(OC(C)C)c1 ZINC000339766925 394970764 /nfs/dbraw/zinc/97/07/64/394970764.db2.gz XWUCRJAPGCOGDI-UHFFFAOYSA-N 1 2 288.391 2.045 20 30 CEEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(OC(C)C)c1 ZINC000339766925 394970768 /nfs/dbraw/zinc/97/07/68/394970768.db2.gz XWUCRJAPGCOGDI-UHFFFAOYSA-N 1 2 288.391 2.045 20 30 CEEDLO Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)c(C#N)cn1 ZINC000425220328 395051963 /nfs/dbraw/zinc/05/19/63/395051963.db2.gz DEPONLFUPGMOEM-UHFFFAOYSA-N 1 2 295.268 2.055 20 30 CEEDLO Cc1cc(NC[C@@H](CO)Cc2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425203285 395052091 /nfs/dbraw/zinc/05/20/91/395052091.db2.gz FBBJZPLDYAXURG-AWEZNQCLSA-N 1 2 299.349 2.086 20 30 CEEDLO Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c(C#N)cn1 ZINC000425206894 395052441 /nfs/dbraw/zinc/05/24/41/395052441.db2.gz LADMOLXWSYZTPE-UHFFFAOYSA-N 1 2 293.374 2.291 20 30 CEEDLO Cc1cc(N[C@@H]2CCc3cn(C(C)C)nc3C2)c(C#N)c[nH+]1 ZINC000425240345 395053960 /nfs/dbraw/zinc/05/39/60/395053960.db2.gz OWCHLJPFQWKDJW-OAHLLOKOSA-N 1 2 295.390 2.430 20 30 CEEDLO Cc1cc(NCc2ccnc(OC(C)C)c2)c(C#N)c[nH+]1 ZINC000425250461 395054594 /nfs/dbraw/zinc/05/45/94/395054594.db2.gz VRJORANXZAEQKV-UHFFFAOYSA-N 1 2 282.347 2.478 20 30 CEEDLO CO[C@@H](CCNc1cc(C)[nH+]cc1C#N)C(F)(F)F ZINC000425249191 395054853 /nfs/dbraw/zinc/05/48/53/395054853.db2.gz AUMAWUDWQGLEJZ-NSHDSACASA-N 1 2 273.258 2.063 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000345608801 395071027 /nfs/dbraw/zinc/07/10/27/395071027.db2.gz KQBMJXPZPBQCEL-QWRGUYRKSA-N 1 2 292.408 2.473 20 30 CEEDLO C[C@@H](C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000345608801 395071030 /nfs/dbraw/zinc/07/10/30/395071030.db2.gz KQBMJXPZPBQCEL-QWRGUYRKSA-N 1 2 292.408 2.473 20 30 CEEDLO C=CCC[N@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000289640616 395082769 /nfs/dbraw/zinc/08/27/69/395082769.db2.gz FPBXQBUQUXMLKU-NSHDSACASA-N 1 2 250.346 2.054 20 30 CEEDLO C=CCC[N@@H+]1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000289640616 395082770 /nfs/dbraw/zinc/08/27/70/395082770.db2.gz FPBXQBUQUXMLKU-NSHDSACASA-N 1 2 250.346 2.054 20 30 CEEDLO C=CCC[N@H+]1CCCC[C@H]1c1nnc(COC)[nH]1 ZINC000289640616 395082771 /nfs/dbraw/zinc/08/27/71/395082771.db2.gz FPBXQBUQUXMLKU-NSHDSACASA-N 1 2 250.346 2.054 20 30 CEEDLO C=CCC[N@@H+]1CCCC[C@H]1c1nnc(COC)[nH]1 ZINC000289640616 395082772 /nfs/dbraw/zinc/08/27/72/395082772.db2.gz FPBXQBUQUXMLKU-NSHDSACASA-N 1 2 250.346 2.054 20 30 CEEDLO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000290244810 395097583 /nfs/dbraw/zinc/09/75/83/395097583.db2.gz MKLWLLNHUXFJRK-SNVBAGLBSA-N 1 2 282.281 2.044 20 30 CEEDLO C=C(C)C[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000290244810 395097589 /nfs/dbraw/zinc/09/75/89/395097589.db2.gz MKLWLLNHUXFJRK-SNVBAGLBSA-N 1 2 282.281 2.044 20 30 CEEDLO C#CC[NH2+][C@H](c1cccc(OC)c1)c1ccccn1 ZINC000372167165 395036010 /nfs/dbraw/zinc/03/60/10/395036010.db2.gz OXIWHDYIOIULFG-MRXNPFEDSA-N 1 2 252.317 2.402 20 30 CEEDLO C=CCCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000372209800 395036894 /nfs/dbraw/zinc/03/68/94/395036894.db2.gz IKIJLURNXCBKDS-UHFFFAOYSA-N 1 2 290.411 2.417 20 30 CEEDLO COC(=O)C1(c2ccccc2)CC[NH+](CC2(C#N)CC2)CC1 ZINC000343314334 395037313 /nfs/dbraw/zinc/03/73/13/395037313.db2.gz MTMPERXNMKVPJD-UHFFFAOYSA-N 1 2 298.386 2.497 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000372468952 395042031 /nfs/dbraw/zinc/04/20/31/395042031.db2.gz PHGQKUCBMXTSSV-INIZCTEOSA-N 1 2 259.324 2.288 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000372468952 395042033 /nfs/dbraw/zinc/04/20/33/395042033.db2.gz PHGQKUCBMXTSSV-INIZCTEOSA-N 1 2 259.324 2.288 20 30 CEEDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)CC ZINC000346953347 395114762 /nfs/dbraw/zinc/11/47/62/395114762.db2.gz WOVOEJTZABIINV-NWDGAFQWSA-N 1 2 254.374 2.494 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376110443 395109605 /nfs/dbraw/zinc/10/96/05/395109605.db2.gz BHTIXLBRNGYNQU-CZUORRHYSA-N 1 2 286.379 2.106 20 30 CEEDLO COc1cc2c(cc1C[NH+]1CCC(F)(C#N)CC1)OCO2 ZINC000348713923 395149712 /nfs/dbraw/zinc/14/97/12/395149712.db2.gz LXPVHKRXEAXEHZ-UHFFFAOYSA-N 1 2 292.310 2.252 20 30 CEEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000519614594 395197907 /nfs/dbraw/zinc/19/79/07/395197907.db2.gz PAVYDNUTIFCHKO-OAHLLOKOSA-N 1 2 273.336 2.147 20 30 CEEDLO C[S@@](=O)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000183115922 395251347 /nfs/dbraw/zinc/25/13/47/395251347.db2.gz KSODPMNNXUCREF-XBHMSOGKSA-N 1 2 289.404 2.139 20 30 CEEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cc2ccccc2o1 ZINC000519699857 395209824 /nfs/dbraw/zinc/20/98/24/395209824.db2.gz HSUSAHDBSIUGRN-PXAZEXFGSA-N 1 2 299.374 2.496 20 30 CEEDLO COC(=O)C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411337894 395326606 /nfs/dbraw/zinc/32/66/06/395326606.db2.gz WDCWXIFSCXMSHQ-CQSZACIVSA-N 1 2 294.395 2.114 20 30 CEEDLO COC(=O)C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411337894 395326611 /nfs/dbraw/zinc/32/66/11/395326611.db2.gz WDCWXIFSCXMSHQ-CQSZACIVSA-N 1 2 294.395 2.114 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000411230155 395322941 /nfs/dbraw/zinc/32/29/41/395322941.db2.gz UROTWGYFISVOKM-STQMWFEESA-N 1 2 294.420 2.240 20 30 CEEDLO CSc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000411230155 395322943 /nfs/dbraw/zinc/32/29/43/395322943.db2.gz UROTWGYFISVOKM-STQMWFEESA-N 1 2 294.420 2.240 20 30 CEEDLO CC1CCC(N(C)C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352459247 395257097 /nfs/dbraw/zinc/25/70/97/395257097.db2.gz WCZWTQPUASSSML-UHFFFAOYSA-N 1 2 295.402 2.351 20 30 CEEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1[N+](=O)[O-] ZINC000352483830 395259288 /nfs/dbraw/zinc/25/92/88/395259288.db2.gz JWZIEDSWGCAJMH-UHFFFAOYSA-N 1 2 293.298 2.431 20 30 CEEDLO N#CCCCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000354267575 395323769 /nfs/dbraw/zinc/32/37/69/395323769.db2.gz IQJNKQDJDIPAQF-UHFFFAOYSA-N 1 2 296.374 2.284 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000192223473 395376821 /nfs/dbraw/zinc/37/68/21/395376821.db2.gz GCHUDDPCKNAUNK-VIFPVBQESA-N 1 2 291.351 2.327 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000192223473 395376824 /nfs/dbraw/zinc/37/68/24/395376824.db2.gz GCHUDDPCKNAUNK-VIFPVBQESA-N 1 2 291.351 2.327 20 30 CEEDLO C[C@H](CCC#N)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000411398587 395328045 /nfs/dbraw/zinc/32/80/45/395328045.db2.gz CQAKQKMSAOENIT-XNJGSVPQSA-N 1 2 294.358 2.024 20 30 CEEDLO C[C@H](CCC#N)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000411398587 395328049 /nfs/dbraw/zinc/32/80/49/395328049.db2.gz CQAKQKMSAOENIT-XNJGSVPQSA-N 1 2 294.358 2.024 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)OC ZINC000533483053 395461909 /nfs/dbraw/zinc/46/19/09/395461909.db2.gz ZISPHWZWFIGXIQ-CQSZACIVSA-N 1 2 290.363 2.129 20 30 CEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)OC ZINC000533483053 395461913 /nfs/dbraw/zinc/46/19/13/395461913.db2.gz ZISPHWZWFIGXIQ-CQSZACIVSA-N 1 2 290.363 2.129 20 30 CEEDLO C=CCC1(C(=O)N2CC[NH+](CCOC)CC2)CCCCC1 ZINC000448969729 395543860 /nfs/dbraw/zinc/54/38/60/395543860.db2.gz JZAWDSFIJZTKTC-UHFFFAOYSA-N 1 2 294.439 2.304 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc2ccccc2c1 ZINC000569296017 395576404 /nfs/dbraw/zinc/57/64/04/395576404.db2.gz VRPZZSIRBBBJMT-GOSISDBHSA-N 1 2 295.386 2.342 20 30 CEEDLO Cc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000570108557 395581482 /nfs/dbraw/zinc/58/14/82/395581482.db2.gz DCJQVVRKVOQZTA-QGZVFWFLSA-N 1 2 287.407 2.196 20 30 CEEDLO Cc1cc(Cl)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570455517 395582474 /nfs/dbraw/zinc/58/24/74/395582474.db2.gz RKZHHVNLBMICOS-AWEZNQCLSA-N 1 2 279.771 2.222 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000570825344 395583593 /nfs/dbraw/zinc/58/35/93/395583593.db2.gz UAJGGOVJKFNZSA-HNNXBMFYSA-N 1 2 297.443 2.143 20 30 CEEDLO C=CCCCCCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000570825344 395583596 /nfs/dbraw/zinc/58/35/96/395583596.db2.gz UAJGGOVJKFNZSA-HNNXBMFYSA-N 1 2 297.443 2.143 20 30 CEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1CC#N ZINC000571701247 395584348 /nfs/dbraw/zinc/58/43/48/395584348.db2.gz UWXQOFILBJZKAG-NSHDSACASA-N 1 2 268.320 2.293 20 30 CEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1CC#N ZINC000571701247 395584351 /nfs/dbraw/zinc/58/43/51/395584351.db2.gz UWXQOFILBJZKAG-NSHDSACASA-N 1 2 268.320 2.293 20 30 CEEDLO Cn1ncc2c1nc[nH+]c2SCC(C)(C)CC#N ZINC000572542995 395586620 /nfs/dbraw/zinc/58/66/20/395586620.db2.gz UVJGASHXMVLHCZ-UHFFFAOYSA-N 1 2 261.354 2.395 20 30 CEEDLO Cc1cc(N2CC[C@H](Cc3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000575041133 395644448 /nfs/dbraw/zinc/64/44/48/395644448.db2.gz FMANTWHMWRNAIF-CYBMUJFWSA-N 1 2 281.363 2.064 20 30 CEEDLO CO[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459337191 395666010 /nfs/dbraw/zinc/66/60/10/395666010.db2.gz KIJINFPULSATGH-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO CO[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459337191 395666011 /nfs/dbraw/zinc/66/60/11/395666011.db2.gz KIJINFPULSATGH-GFCCVEGCSA-N 1 2 275.308 2.077 20 30 CEEDLO Cc1nc(NCc2[nH+]ccn2CC(C)C)ccc1C#N ZINC000488060238 395667800 /nfs/dbraw/zinc/66/78/00/395667800.db2.gz VVVIUVYSQVMANS-UHFFFAOYSA-N 1 2 269.352 2.148 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000491708449 395670395 /nfs/dbraw/zinc/67/03/95/395670395.db2.gz ZZDGHMPFWWMYCA-GFCCVEGCSA-N 1 2 269.348 2.079 20 30 CEEDLO C=C(C)C[NH+]1CCC(Nc2[nH+]cccc2C(=O)[O-])CC1 ZINC000647449706 395713797 /nfs/dbraw/zinc/71/37/97/395713797.db2.gz OKJFCYBPIDNUBC-UHFFFAOYSA-N 1 2 275.352 2.232 20 30 CEEDLO C=C(C)[C@H](CO)[NH+]1CCN(Cc2ccc(CC)s2)CC1 ZINC000649318991 396120632 /nfs/dbraw/zinc/12/06/32/396120632.db2.gz KXVAORZHWXGVDS-INIZCTEOSA-N 1 2 294.464 2.365 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000649333540 396122795 /nfs/dbraw/zinc/12/27/95/396122795.db2.gz PGQDGQYZDLKWBQ-QWHCGFSZSA-N 1 2 297.399 2.172 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000649333540 396122799 /nfs/dbraw/zinc/12/27/99/396122799.db2.gz PGQDGQYZDLKWBQ-QWHCGFSZSA-N 1 2 297.399 2.172 20 30 CEEDLO Cc1ccc(C2CCN(c3cnc(C#N)cn3)CC2)c[nH+]1 ZINC000364874384 292090638 /nfs/dbraw/zinc/09/06/38/292090638.db2.gz ARDZAVLZPRXRGG-UHFFFAOYSA-N 1 2 279.347 2.436 20 30 CEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nc(Cl)cs1 ZINC000491682360 400594497 /nfs/dbraw/zinc/59/44/97/400594497.db2.gz RQZOLKQWOPZZGX-SECBINFHSA-N 1 2 284.768 2.051 20 30 CEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1nc(Cl)cs1 ZINC000491682360 400594499 /nfs/dbraw/zinc/59/44/99/400594499.db2.gz RQZOLKQWOPZZGX-SECBINFHSA-N 1 2 284.768 2.051 20 30 CEEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000191981042 153200291 /nfs/dbraw/zinc/20/02/91/153200291.db2.gz LNLXHWKXPLYQAR-UHFFFAOYSA-N 1 2 278.327 2.471 20 30 CEEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000191981042 153200295 /nfs/dbraw/zinc/20/02/95/153200295.db2.gz LNLXHWKXPLYQAR-UHFFFAOYSA-N 1 2 278.327 2.471 20 30 CEEDLO Cc1nc([C@@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311192 154217862 /nfs/dbraw/zinc/21/78/62/154217862.db2.gz LYKMUXDHNJOGPM-NHYWBVRUSA-N 1 2 298.346 2.384 20 30 CEEDLO Cc1nc([C@@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)no1 ZINC000332311192 154217868 /nfs/dbraw/zinc/21/78/68/154217868.db2.gz LYKMUXDHNJOGPM-NHYWBVRUSA-N 1 2 298.346 2.384 20 30 CEEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nccc(N)n3)CC2)cc1 ZINC000367297105 156164271 /nfs/dbraw/zinc/16/42/71/156164271.db2.gz WXTDWAAAFGIXFM-UHFFFAOYSA-N 1 2 291.358 2.050 20 30 CEEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nccc(N)n3)CC2)cc1 ZINC000367297105 156164275 /nfs/dbraw/zinc/16/42/75/156164275.db2.gz WXTDWAAAFGIXFM-UHFFFAOYSA-N 1 2 291.358 2.050 20 30 CEEDLO CCc1nc(N2CC(Oc3ccc(C#N)cc3)C2)cc(C)[nH+]1 ZINC000376464330 157228600 /nfs/dbraw/zinc/22/86/00/157228600.db2.gz ZJMFEZNSGKJONS-UHFFFAOYSA-N 1 2 294.358 2.487 20 30 CEEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)[C@H](CC)CN1C(C)=O ZINC000347482483 287182621 /nfs/dbraw/zinc/18/26/21/287182621.db2.gz PQRHMVGERGSHON-ZIAGYGMSSA-N 1 2 263.385 2.011 20 30 CEEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@H](CC)CN1C(C)=O ZINC000347482483 287182623 /nfs/dbraw/zinc/18/26/23/287182623.db2.gz PQRHMVGERGSHON-ZIAGYGMSSA-N 1 2 263.385 2.011 20 30 CEEDLO Cc1cc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)on1 ZINC000022253367 171382371 /nfs/dbraw/zinc/38/23/71/171382371.db2.gz TTZHGRYEWYNZPN-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO Cc1cc(C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)on1 ZINC000022253367 171382372 /nfs/dbraw/zinc/38/23/72/171382372.db2.gz TTZHGRYEWYNZPN-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO CC(C)[C@@H]([NH2+]Cc1ccccc1C#N)c1nncn1C ZINC000285398707 196272887 /nfs/dbraw/zinc/27/28/87/196272887.db2.gz OOHDMSGDRUVCME-CQSZACIVSA-N 1 2 269.352 2.174 20 30 CEEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nncn1C ZINC000285410067 196276114 /nfs/dbraw/zinc/27/61/14/196276114.db2.gz PLFMZPJDYIQZBY-CQSZACIVSA-N 1 2 287.342 2.313 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(C)=O)c2)nn1 ZINC000657311131 414852405 /nfs/dbraw/zinc/85/24/05/414852405.db2.gz TXGVFNVUMJKFNA-UHFFFAOYSA-N 1 2 299.378 2.102 20 30 CEEDLO C=CCCn1cc(C[NH2+]Cc2cc(C(C)C)no2)nn1 ZINC000657361128 414886061 /nfs/dbraw/zinc/88/60/61/414886061.db2.gz GDKDZFMMTFPUNX-UHFFFAOYSA-N 1 2 275.356 2.255 20 30 CEEDLO C=CCCn1cc(C[NH2+][C@@H](CCOC)c2ccco2)nn1 ZINC000653613952 415054267 /nfs/dbraw/zinc/05/42/67/415054267.db2.gz HMOPXGBOMDNFDB-AWEZNQCLSA-N 1 2 290.367 2.315 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCS[C@H](CC)C2)nn1 ZINC000653560974 415035024 /nfs/dbraw/zinc/03/50/24/415035024.db2.gz OEUJREJIDQDIIA-CYBMUJFWSA-N 1 2 266.414 2.182 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCS[C@H](CC)C2)nn1 ZINC000653560974 415035026 /nfs/dbraw/zinc/03/50/26/415035026.db2.gz OEUJREJIDQDIIA-CYBMUJFWSA-N 1 2 266.414 2.182 20 30 CEEDLO C=CC[N@H+](Cc1csc(COC)n1)[C@@H](C)COC ZINC000661244876 415154463 /nfs/dbraw/zinc/15/44/63/415154463.db2.gz ZJJJTYVDJAAVJO-NSHDSACASA-N 1 2 270.398 2.312 20 30 CEEDLO C=CC[N@@H+](Cc1csc(COC)n1)[C@@H](C)COC ZINC000661244876 415154468 /nfs/dbraw/zinc/15/44/68/415154468.db2.gz ZJJJTYVDJAAVJO-NSHDSACASA-N 1 2 270.398 2.312 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661507679 415301605 /nfs/dbraw/zinc/30/16/05/415301605.db2.gz ARQRSVUCYXBIQI-GJZGRUSLSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661507679 415301613 /nfs/dbraw/zinc/30/16/13/415301613.db2.gz ARQRSVUCYXBIQI-GJZGRUSLSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CC[N@H+](Cc1nnnn1-c1ccccc1)C(C)(C)C ZINC000661755743 415446293 /nfs/dbraw/zinc/44/62/93/415446293.db2.gz QLBLABPEVDXOKH-UHFFFAOYSA-N 1 2 271.368 2.449 20 30 CEEDLO C=CC[N@@H+](Cc1nnnn1-c1ccccc1)C(C)(C)C ZINC000661755743 415446297 /nfs/dbraw/zinc/44/62/97/415446297.db2.gz QLBLABPEVDXOKH-UHFFFAOYSA-N 1 2 271.368 2.449 20 30 CEEDLO C=C[C@H](CO)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000662168625 415669001 /nfs/dbraw/zinc/66/90/01/415669001.db2.gz NSVLEMXDFXNTSY-SSDOTTSWSA-N 1 2 292.123 2.364 20 30 CEEDLO C=CCc1ccc(OC[C@@H](O)Cn2cc[nH+]c2)c(OC)c1 ZINC000072112801 176317443 /nfs/dbraw/zinc/31/74/43/176317443.db2.gz KMTLNWCKMWNRPS-AWEZNQCLSA-N 1 2 288.347 2.060 20 30 CEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCC(C)(C)C#N)CC1(C)C ZINC000334576262 224932338 /nfs/dbraw/zinc/93/23/38/224932338.db2.gz NBGLCZPRDDBRQZ-NSHDSACASA-N 1 2 289.383 2.062 20 30 CEEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC(=O)N1 ZINC000329144875 227325104 /nfs/dbraw/zinc/32/51/04/227325104.db2.gz NIUNFXOXDPKAFT-GFCCVEGCSA-N 1 2 288.351 2.126 20 30 CEEDLO N#Cc1csc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)n1 ZINC000356127555 228132721 /nfs/dbraw/zinc/13/27/21/228132721.db2.gz WMHKFOQZRCJZLZ-OAHLLOKOSA-N 1 2 299.399 2.497 20 30 CEEDLO N#Cc1csc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)n1 ZINC000356127555 228132722 /nfs/dbraw/zinc/13/27/22/228132722.db2.gz WMHKFOQZRCJZLZ-OAHLLOKOSA-N 1 2 299.399 2.497 20 30 CEEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000333678018 228209884 /nfs/dbraw/zinc/20/98/84/228209884.db2.gz ZHPKSFQPVYBRMR-NUEKZKHPSA-N 1 2 283.375 2.464 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000336237660 228219193 /nfs/dbraw/zinc/21/91/93/228219193.db2.gz ATUHMGHRMXGPQB-IAQYHMDHSA-N 1 2 266.304 2.361 20 30 CEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](CC)C(=O)OC ZINC000298157958 260145189 /nfs/dbraw/zinc/14/51/89/260145189.db2.gz PJGKRPHAQBTBJG-HNNXBMFYSA-N 1 2 272.348 2.498 20 30 CEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](CC)C(=O)OC ZINC000298157958 260145190 /nfs/dbraw/zinc/14/51/90/260145190.db2.gz PJGKRPHAQBTBJG-HNNXBMFYSA-N 1 2 272.348 2.498 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000407992727 260155102 /nfs/dbraw/zinc/15/51/02/260155102.db2.gz HTTHHLRMECJXIM-ZYHUDNBSSA-N 1 2 272.308 2.040 20 30 CEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000407992727 260155103 /nfs/dbraw/zinc/15/51/03/260155103.db2.gz HTTHHLRMECJXIM-ZYHUDNBSSA-N 1 2 272.308 2.040 20 30 CEEDLO N/C(=N/O)[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000079817277 260177721 /nfs/dbraw/zinc/17/77/21/260177721.db2.gz IJMJUAFKUXEENI-OAHLLOKOSA-N 1 2 284.363 2.336 20 30 CEEDLO N/C(=N/O)[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000079817277 260177722 /nfs/dbraw/zinc/17/77/22/260177722.db2.gz IJMJUAFKUXEENI-OAHLLOKOSA-N 1 2 284.363 2.336 20 30 CEEDLO N#CCCn1cc(C[NH+]2CCOCC2)c(-c2ccccc2)n1 ZINC000154532702 261092907 /nfs/dbraw/zinc/09/29/07/261092907.db2.gz NWYYHSIIOBLILZ-UHFFFAOYSA-N 1 2 296.374 2.296 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccccc1Br ZINC000155245866 261100151 /nfs/dbraw/zinc/10/01/51/261100151.db2.gz LHAWNRNBPJNTGP-GFCCVEGCSA-N 1 2 283.169 2.328 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccccc1Br ZINC000155245866 261100152 /nfs/dbraw/zinc/10/01/52/261100152.db2.gz LHAWNRNBPJNTGP-GFCCVEGCSA-N 1 2 283.169 2.328 20 30 CEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000448792581 261129447 /nfs/dbraw/zinc/12/94/47/261129447.db2.gz DDWHJOMDXZKGKD-BDJLRTHQSA-N 1 2 298.321 2.177 20 30 CEEDLO C#C[C@H](CC)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490717105 261192069 /nfs/dbraw/zinc/19/20/69/261192069.db2.gz ARXOLLWJTNZHMX-VXGBXAGGSA-N 1 2 273.380 2.166 20 30 CEEDLO C#C[C@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490717105 261192071 /nfs/dbraw/zinc/19/20/71/261192071.db2.gz ARXOLLWJTNZHMX-VXGBXAGGSA-N 1 2 273.380 2.166 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000490918735 261246644 /nfs/dbraw/zinc/24/66/44/261246644.db2.gz YTGZWLMUKHFLPY-LBPRGKRZSA-N 1 2 267.373 2.137 20 30 CEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000490918735 261246645 /nfs/dbraw/zinc/24/66/45/261246645.db2.gz YTGZWLMUKHFLPY-LBPRGKRZSA-N 1 2 267.373 2.137 20 30 CEEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000491451599 261597970 /nfs/dbraw/zinc/59/79/70/261597970.db2.gz GRJZIZYUJDQYJW-WBVHZDCISA-N 1 2 284.403 2.379 20 30 CEEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000491451599 261597971 /nfs/dbraw/zinc/59/79/71/261597971.db2.gz GRJZIZYUJDQYJW-WBVHZDCISA-N 1 2 284.403 2.379 20 30 CEEDLO C[C@H](c1nccs1)N1CC[NH+](CCCC#N)CC1 ZINC000184628888 262025029 /nfs/dbraw/zinc/02/50/29/262025029.db2.gz KCTPSMUBLNUPRN-GFCCVEGCSA-N 1 2 264.398 2.125 20 30 CEEDLO N#CCCC[S@](=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000190809536 262185710 /nfs/dbraw/zinc/18/57/10/262185710.db2.gz CVQUOTRRZPUOPZ-FQEVSTJZSA-N 1 2 287.388 2.484 20 30 CEEDLO COC(C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)OC ZINC000364579516 262255459 /nfs/dbraw/zinc/25/54/59/262255459.db2.gz MXXYPDKFAKUQQC-HUUCEWRRSA-N 1 2 274.364 2.377 20 30 CEEDLO COC(C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)OC ZINC000364579516 262255460 /nfs/dbraw/zinc/25/54/60/262255460.db2.gz MXXYPDKFAKUQQC-HUUCEWRRSA-N 1 2 274.364 2.377 20 30 CEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1CC#N ZINC000270132379 262983076 /nfs/dbraw/zinc/98/30/76/262983076.db2.gz HDXSEHYPFZQDPV-ZDUSSCGKSA-N 1 2 254.337 2.333 20 30 CEEDLO Cc1nc(CCO[NH+]=C(N)Cc2csc(C)n2)cs1 ZINC000272377300 263003627 /nfs/dbraw/zinc/00/36/27/263003627.db2.gz CZYGFGPFHXHVTF-UHFFFAOYSA-N 1 2 296.421 2.290 20 30 CEEDLO CC1(C#N)CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000272588370 263007407 /nfs/dbraw/zinc/00/74/07/263007407.db2.gz PCLVRXBSVDOUBT-UHFFFAOYSA-N 1 2 283.375 2.201 20 30 CEEDLO CCCC[C@H](ON=C(C)C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000272623512 263007763 /nfs/dbraw/zinc/00/77/63/263007763.db2.gz RTKWNXMBAPBRAC-ZDUSSCGKSA-N 1 2 294.399 2.350 20 30 CEEDLO Cc1ccc(Cc2noc(C3(C#N)CCC3)n2)c[nH+]1 ZINC000274026361 263021042 /nfs/dbraw/zinc/02/10/42/263021042.db2.gz XXULFPUFYHMSBX-UHFFFAOYSA-N 1 2 254.293 2.309 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276544356 263037158 /nfs/dbraw/zinc/03/71/58/263037158.db2.gz GQECPPKHQAGDQL-SNAWJCMRSA-N 1 2 260.341 2.211 20 30 CEEDLO Cc1nc(CCO[NH+]=C(N)[C@H](C)OCC(C)C)cs1 ZINC000276682046 263037878 /nfs/dbraw/zinc/03/78/78/263037878.db2.gz FMYLVXVGQDZMJE-JTQLQIEISA-N 1 2 285.413 2.344 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000280991790 263065588 /nfs/dbraw/zinc/06/55/88/263065588.db2.gz MVARQZGZMVURFL-VZWMTCDZSA-N 1 2 290.363 2.078 20 30 CEEDLO N#CCc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000340145072 263077871 /nfs/dbraw/zinc/07/78/71/263077871.db2.gz WLBSWBAVOGKEIC-UHFFFAOYSA-N 1 2 294.358 2.380 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)C(C)C ZINC000353465543 263079460 /nfs/dbraw/zinc/07/94/60/263079460.db2.gz XRLAQUUMZSCNSW-CHWSQXEVSA-N 1 2 253.390 2.112 20 30 CEEDLO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)C(C)C ZINC000353465543 263079461 /nfs/dbraw/zinc/07/94/61/263079461.db2.gz XRLAQUUMZSCNSW-CHWSQXEVSA-N 1 2 253.390 2.112 20 30 CEEDLO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284389936 263086619 /nfs/dbraw/zinc/08/66/19/263086619.db2.gz MMYVRZRZDKCCHZ-GFCCVEGCSA-N 1 2 279.727 2.179 20 30 CEEDLO Cc1ccc(F)cc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284486800 263087114 /nfs/dbraw/zinc/08/71/14/263087114.db2.gz SDEKKBSGQFCALS-GFCCVEGCSA-N 1 2 252.289 2.102 20 30 CEEDLO NC(=[NH+]OCc1cccc2cccnc21)[C@H]1CCCO1 ZINC000284479760 263087125 /nfs/dbraw/zinc/08/71/25/263087125.db2.gz RRYNBCJRLDJLNN-CYBMUJFWSA-N 1 2 271.320 2.203 20 30 CEEDLO CC[C@@](C)(C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000285907050 263096431 /nfs/dbraw/zinc/09/64/31/263096431.db2.gz VODWZYVQRVJFBJ-INIZCTEOSA-N 1 2 282.347 2.428 20 30 CEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC[C@H](O)c1ccccc1 ZINC000288688691 263105511 /nfs/dbraw/zinc/10/55/11/263105511.db2.gz SZDJBZFCYCWLRF-ZFWWWQNUSA-N 1 2 294.395 2.460 20 30 CEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CCc1ccccc1 ZINC000292263512 263130420 /nfs/dbraw/zinc/13/04/20/263130420.db2.gz ROKPXIZZASSANR-MRXNPFEDSA-N 1 2 258.365 2.382 20 30 CEEDLO C=CC[N@H+](CCC#N)C[C@H](O)CCc1ccccc1 ZINC000292263512 263130421 /nfs/dbraw/zinc/13/04/21/263130421.db2.gz ROKPXIZZASSANR-MRXNPFEDSA-N 1 2 258.365 2.382 20 30 CEEDLO N#C[C@@]1(C(=O)NCCCNc2cccc[nH+]2)CC12CCCC2 ZINC000295357871 263176399 /nfs/dbraw/zinc/17/63/99/263176399.db2.gz VXTCIAXLWSDGJO-QGZVFWFLSA-N 1 2 298.390 2.474 20 30 CEEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000299153256 263231516 /nfs/dbraw/zinc/23/15/16/263231516.db2.gz GRKRGXNGFSIKRX-SKDRFNHKSA-N 1 2 254.280 2.090 20 30 CEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000299153256 263231520 /nfs/dbraw/zinc/23/15/20/263231520.db2.gz GRKRGXNGFSIKRX-SKDRFNHKSA-N 1 2 254.280 2.090 20 30 CEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000299170822 263233339 /nfs/dbraw/zinc/23/33/39/263233339.db2.gz RTYVQQLSVNFMLP-NWDGAFQWSA-N 1 2 291.420 2.113 20 30 CEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000299170822 263233340 /nfs/dbraw/zinc/23/33/40/263233340.db2.gz RTYVQQLSVNFMLP-NWDGAFQWSA-N 1 2 291.420 2.113 20 30 CEEDLO Cc1cc(C)n(CCC/[NH+]=C/c2ccc(O)c(O)c2O)n1 ZINC000299257395 263236711 /nfs/dbraw/zinc/23/67/11/263236711.db2.gz CXWBJLZGAMIANN-CXUHLZMHSA-N 1 2 289.335 2.126 20 30 CEEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000341921096 263365958 /nfs/dbraw/zinc/36/59/58/263365958.db2.gz SGGKBSDBGVBZHT-SNVBAGLBSA-N 1 2 296.358 2.001 20 30 CEEDLO C=C(CC)CS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341990568 263382068 /nfs/dbraw/zinc/38/20/68/263382068.db2.gz APUSYCFKXQIAKG-ZDUSSCGKSA-N 1 2 270.442 2.238 20 30 CEEDLO C=C1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000341989858 263382451 /nfs/dbraw/zinc/38/24/51/263382451.db2.gz BCYVDQWOEHRSCL-UONOGXRCSA-N 1 2 250.386 2.333 20 30 CEEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000330463667 263942853 /nfs/dbraw/zinc/94/28/53/263942853.db2.gz UAISWDDUQCMQNC-QMMMGPOBSA-N 1 2 275.356 2.004 20 30 CEEDLO CC(C)[C@H](C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000330836184 264051223 /nfs/dbraw/zinc/05/12/23/264051223.db2.gz WVYDAXGQDUKFHR-VXGBXAGGSA-N 1 2 252.362 2.067 20 30 CEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)[C@@H](C)CO)c(C)[nH+]1 ZINC000331230650 264152417 /nfs/dbraw/zinc/15/24/17/264152417.db2.gz HHYLCICMMKOIPE-GXSJLCMTSA-N 1 2 265.357 2.350 20 30 CEEDLO Cc1nc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC000331233608 264173676 /nfs/dbraw/zinc/17/36/76/264173676.db2.gz KBSWQAWNPCCCBH-UHFFFAOYSA-N 1 2 275.312 2.224 20 30 CEEDLO CC[C@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331236068 264174341 /nfs/dbraw/zinc/17/43/41/264174341.db2.gz MAYPYAUQHNVTAS-LLVKDONJSA-N 1 2 251.330 2.104 20 30 CEEDLO Cc1cc(C)c(NC(=O)NCC[C@H](C)[S@](C)=O)c(C)[nH+]1 ZINC000331328654 264191177 /nfs/dbraw/zinc/19/11/77/264191177.db2.gz NRMCCJDTPXQPPK-YBTHPKLGSA-N 1 2 297.424 2.490 20 30 CEEDLO Cc1cc(C)c(NC(=O)NCCC[C@@H](C)O)c(C)[nH+]1 ZINC000331343699 264196358 /nfs/dbraw/zinc/19/63/58/264196358.db2.gz UKSFYWAHWLEOGM-LLVKDONJSA-N 1 2 265.357 2.494 20 30 CEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331361618 264210339 /nfs/dbraw/zinc/21/03/39/264210339.db2.gz ZHOZOWWNEDVULP-GXTWGEPZSA-N 1 2 255.321 2.349 20 30 CEEDLO C=C(C)C[NH+]1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000290244807 264759606 /nfs/dbraw/zinc/75/96/06/264759606.db2.gz MKLWLLNHUXFJRK-JTQLQIEISA-N 1 2 282.281 2.044 20 30 CEEDLO C=C(C)C[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000290244807 264759609 /nfs/dbraw/zinc/75/96/09/264759609.db2.gz MKLWLLNHUXFJRK-JTQLQIEISA-N 1 2 282.281 2.044 20 30 CEEDLO C=C[C@H](C)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000357866620 266378532 /nfs/dbraw/zinc/37/85/32/266378532.db2.gz MLNSXVNPKNRMOE-NSHDSACASA-N 1 2 258.325 2.016 20 30 CEEDLO N#CCCC[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000358219983 266440331 /nfs/dbraw/zinc/44/03/31/266440331.db2.gz GPWADYQBROPKNB-HXUWFJFHSA-N 1 2 287.388 2.484 20 30 CEEDLO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(=O)OC ZINC000419369229 267223112 /nfs/dbraw/zinc/22/31/12/267223112.db2.gz HHZUZSRXICNHBF-GJZGRUSLSA-N 1 2 272.348 2.477 20 30 CEEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000495195424 267226524 /nfs/dbraw/zinc/22/65/24/267226524.db2.gz ONJKPCHRKLWPDT-HNNXBMFYSA-N 1 2 271.364 2.001 20 30 CEEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000495195424 267226525 /nfs/dbraw/zinc/22/65/25/267226525.db2.gz ONJKPCHRKLWPDT-HNNXBMFYSA-N 1 2 271.364 2.001 20 30 CEEDLO C=CCOCCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369365663 267237291 /nfs/dbraw/zinc/23/72/91/267237291.db2.gz DXJOBICQHAPYNF-CQSZACIVSA-N 1 2 291.395 2.109 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)c1cccc(C#N)c1C ZINC000452570953 267257957 /nfs/dbraw/zinc/25/79/57/267257957.db2.gz MVGCRTZEHQTXMC-UHFFFAOYSA-N 1 2 268.320 2.013 20 30 CEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(C#N)c1 ZINC000456381219 267259425 /nfs/dbraw/zinc/25/94/25/267259425.db2.gz KBODHCSIZDCPIY-NSHDSACASA-N 1 2 268.320 2.266 20 30 CEEDLO C#CC[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000370202805 267298253 /nfs/dbraw/zinc/29/82/53/267298253.db2.gz CSSKWSOYSQVAEC-VXGBXAGGSA-N 1 2 260.341 2.058 20 30 CEEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433301321 267300572 /nfs/dbraw/zinc/30/05/72/267300572.db2.gz HCLSSWXGCNQMCV-OAHLLOKOSA-N 1 2 296.374 2.145 20 30 CEEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000433301321 267300575 /nfs/dbraw/zinc/30/05/75/267300575.db2.gz HCLSSWXGCNQMCV-OAHLLOKOSA-N 1 2 296.374 2.145 20 30 CEEDLO C=CCOCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371175183 267361071 /nfs/dbraw/zinc/36/10/71/267361071.db2.gz KISIANIEJFNCPV-UHFFFAOYSA-N 1 2 277.368 2.099 20 30 CEEDLO C=CCOCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371175183 267361075 /nfs/dbraw/zinc/36/10/75/267361075.db2.gz KISIANIEJFNCPV-UHFFFAOYSA-N 1 2 277.368 2.099 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375432450 267859486 /nfs/dbraw/zinc/85/94/86/267859486.db2.gz ZKZRGBZBPKYJMT-WCQYABFASA-N 1 2 285.351 2.180 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375432450 267859489 /nfs/dbraw/zinc/85/94/89/267859489.db2.gz ZKZRGBZBPKYJMT-WCQYABFASA-N 1 2 285.351 2.180 20 30 CEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000516428808 268082023 /nfs/dbraw/zinc/08/20/23/268082023.db2.gz AURNTOXABJFDDF-OAHLLOKOSA-N 1 2 294.358 2.326 20 30 CEEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000516428808 268082025 /nfs/dbraw/zinc/08/20/25/268082025.db2.gz AURNTOXABJFDDF-OAHLLOKOSA-N 1 2 294.358 2.326 20 30 CEEDLO N#Cc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000515925249 268246399 /nfs/dbraw/zinc/24/63/99/268246399.db2.gz PYYLUHMSWIVZGY-LBPRGKRZSA-N 1 2 299.309 2.030 20 30 CEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)o2)c1 ZINC000515430474 268265119 /nfs/dbraw/zinc/26/51/19/268265119.db2.gz NRBLMBUPYCECOS-STQMWFEESA-N 1 2 298.371 2.298 20 30 CEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@@H]4C[C@H]3CS4)o2)c1 ZINC000515430474 268265120 /nfs/dbraw/zinc/26/51/20/268265120.db2.gz NRBLMBUPYCECOS-STQMWFEESA-N 1 2 298.371 2.298 20 30 CEEDLO CCOC1(CNc2cc(C)[nH+]cc2C#N)CCCC1 ZINC000399438409 270370167 /nfs/dbraw/zinc/37/01/67/270370167.db2.gz LHFNRTCRBWDYTM-UHFFFAOYSA-N 1 2 259.353 2.445 20 30 CEEDLO Cc1nn(C)c(C)c1C[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425222819 271140100 /nfs/dbraw/zinc/14/01/00/271140100.db2.gz BGHLRNLBWCWUED-NSHDSACASA-N 1 2 283.379 2.077 20 30 CEEDLO CCc1nn(C)c(CC)c1CNc1cc(C)[nH+]cc1C#N ZINC000425246424 271144863 /nfs/dbraw/zinc/14/48/63/271144863.db2.gz LLKSPBNEOZJMJY-UHFFFAOYSA-N 1 2 283.379 2.154 20 30 CEEDLO Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)cn1 ZINC000425257136 271147852 /nfs/dbraw/zinc/14/78/52/271147852.db2.gz HQIKMGYFPIXQJW-UHFFFAOYSA-N 1 2 281.363 2.431 20 30 CEEDLO CC(C)=CC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000336508229 277325184 /nfs/dbraw/zinc/32/51/84/277325184.db2.gz ITDHHJAIOZBLGX-CXAGYDPISA-N 1 2 281.359 2.298 20 30 CEEDLO CC(C)=CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000336508229 277325185 /nfs/dbraw/zinc/32/51/85/277325185.db2.gz ITDHHJAIOZBLGX-CXAGYDPISA-N 1 2 281.359 2.298 20 30 CEEDLO Cc1ccc2[nH+]ccc(N3CCO[C@@H](C#N)C3)c2c1 ZINC000302160928 278903671 /nfs/dbraw/zinc/90/36/71/278903671.db2.gz PFKAUYKLDUPDMV-LBPRGKRZSA-N 1 2 253.305 2.272 20 30 CEEDLO N#Cc1cc(C(=O)NCCCCn2cc[nH+]c2)ccc1F ZINC000552010430 298468768 /nfs/dbraw/zinc/46/87/68/298468768.db2.gz TXGMPJOFBLEASZ-UHFFFAOYSA-N 1 2 286.310 2.104 20 30 CEEDLO Cc1csc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)n1 ZINC000564276175 298822829 /nfs/dbraw/zinc/82/28/29/298822829.db2.gz GKTHDPJEMLEJTO-UHFFFAOYSA-N 1 2 299.403 2.040 20 30 CEEDLO CC(C)(C)C#CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874888413 649864335 /nfs/dbraw/zinc/86/43/35/649864335.db2.gz CTITUZJVNUINKC-HNNXBMFYSA-N 1 2 288.366 2.348 20 30 CEEDLO N#Cc1cccnc1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000267207042 303208674 /nfs/dbraw/zinc/20/86/74/303208674.db2.gz AYUFQJIMAKVVRL-GFCCVEGCSA-N 1 2 253.309 2.408 20 30 CEEDLO Cc1cc(NC(=O)COc2ccccc2C#N)c(C)c[nH+]1 ZINC000535748360 313396538 /nfs/dbraw/zinc/39/65/38/313396538.db2.gz MXEVXHRXPZZFRX-UHFFFAOYSA-N 1 2 281.315 2.010 20 30 CEEDLO COC(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000573888067 314179162 /nfs/dbraw/zinc/17/91/62/314179162.db2.gz JGTVWRXJYVEABD-UHFFFAOYSA-N 1 2 287.344 2.091 20 30 CEEDLO Cc1cc(N[C@H]2CCO[C@H](C(C)C)C2)c(C#N)c[nH+]1 ZINC000577960098 314431479 /nfs/dbraw/zinc/43/14/79/314431479.db2.gz PGODANZHEFOWHO-ZFWWWQNUSA-N 1 2 259.353 2.299 20 30 CEEDLO Cc1cc(N[C@H]2COCc3ccccc32)c(C#N)c[nH+]1 ZINC000578981724 314535455 /nfs/dbraw/zinc/53/54/55/314535455.db2.gz OKNUDVCOHRKPEH-INIZCTEOSA-N 1 2 265.316 2.367 20 30 CEEDLO Cc1cc(Cl)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000563220650 327979562 /nfs/dbraw/zinc/97/95/62/327979562.db2.gz UHFXGGHJHPKHCV-AWEZNQCLSA-N 1 2 279.771 2.222 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000268336229 328184008 /nfs/dbraw/zinc/18/40/08/328184008.db2.gz YWMOOBAZVDPPOU-RNCFNFMXSA-N 1 2 254.280 2.232 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000268336229 328184009 /nfs/dbraw/zinc/18/40/09/328184009.db2.gz YWMOOBAZVDPPOU-RNCFNFMXSA-N 1 2 254.280 2.232 20 30 CEEDLO CC(C)Oc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284432446 328245861 /nfs/dbraw/zinc/24/58/61/328245861.db2.gz OUHPXCUFKGSMEW-CQSZACIVSA-N 1 2 278.352 2.442 20 30 CEEDLO CCn1cc[nH+]c1CNC(=O)NCC1CCC(C#N)CC1 ZINC000297002791 328293064 /nfs/dbraw/zinc/29/30/64/328293064.db2.gz SHPCHFSKEYDHBH-UHFFFAOYSA-N 1 2 289.383 2.032 20 30 CEEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1csnn1 ZINC000398954576 328653606 /nfs/dbraw/zinc/65/36/06/328653606.db2.gz GSHRDUJABUIVNA-JTQLQIEISA-N 1 2 258.350 2.455 20 30 CEEDLO CC[C@H](C#N)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255153523 326952973 /nfs/dbraw/zinc/95/29/73/326952973.db2.gz ILDJQNXYBXBLHG-BMWLXYDHSA-N 1 2 280.331 2.304 20 30 CEEDLO CN(C)C(=O)C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000564445135 327077738 /nfs/dbraw/zinc/07/77/38/327077738.db2.gz ZEKPHKWZPZJDOF-GDBMZVCRSA-N 1 2 298.390 2.239 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CCC#N)c1C ZINC000078320958 327134850 /nfs/dbraw/zinc/13/48/50/327134850.db2.gz UMXHDGDCGYXZDD-OAHLLOKOSA-N 1 2 276.380 2.197 20 30 CEEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC000078320958 327134852 /nfs/dbraw/zinc/13/48/52/327134852.db2.gz UMXHDGDCGYXZDD-OAHLLOKOSA-N 1 2 276.380 2.197 20 30 CEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1snnc1C(C)(C)C ZINC000331196125 327386027 /nfs/dbraw/zinc/38/60/27/327386027.db2.gz LQHHQHDRVRKPHF-UHFFFAOYSA-N 1 2 279.369 2.372 20 30 CEEDLO Cc1cc(NC(=O)c2ccc(CC#N)cc2)c(C)c[nH+]1 ZINC000536574420 328666883 /nfs/dbraw/zinc/66/68/83/328666883.db2.gz MMUKCSGHINCKRM-UHFFFAOYSA-N 1 2 265.316 2.439 20 30 CEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](C)C#N ZINC000190650796 328803585 /nfs/dbraw/zinc/80/35/85/328803585.db2.gz KNMBFJFESMFBFO-ZDUSSCGKSA-N 1 2 291.399 2.027 20 30 CEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCCCC1 ZINC000173540744 329148823 /nfs/dbraw/zinc/14/88/23/329148823.db2.gz YMJSHOSJAYCGKX-UHFFFAOYSA-N 1 2 265.401 2.261 20 30 CEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCCCC1 ZINC000173540744 329148824 /nfs/dbraw/zinc/14/88/24/329148824.db2.gz YMJSHOSJAYCGKX-UHFFFAOYSA-N 1 2 265.401 2.261 20 30 CEEDLO C=CCn1c(=O)[nH]nc1SCc1ccc(C)[nH+]c1C ZINC000186630876 329346813 /nfs/dbraw/zinc/34/68/13/329346813.db2.gz JFFQQEXKKOMWRS-UHFFFAOYSA-N 1 2 276.365 2.062 20 30 CEEDLO Cc1cc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n[nH]1 ZINC000187274253 329356470 /nfs/dbraw/zinc/35/64/70/329356470.db2.gz MZRJMKKKUJTMKH-UHFFFAOYSA-N 1 2 298.365 2.031 20 30 CEEDLO CCN1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1=O ZINC000190191071 329392635 /nfs/dbraw/zinc/39/26/35/329392635.db2.gz PHRGTQVSAHYJGQ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO CCN1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1=O ZINC000190191071 329392637 /nfs/dbraw/zinc/39/26/37/329392637.db2.gz PHRGTQVSAHYJGQ-UHFFFAOYSA-N 1 2 290.794 2.246 20 30 CEEDLO N#CCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520738 329534649 /nfs/dbraw/zinc/53/46/49/329534649.db2.gz XAAMRXRLQKRRKP-UHFFFAOYSA-N 1 2 283.335 2.225 20 30 CEEDLO C=C[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000128397604 329607572 /nfs/dbraw/zinc/60/75/72/329607572.db2.gz DCOPOBQXSQOHRM-LBPRGKRZSA-N 1 2 262.357 2.147 20 30 CEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000424135207 330266390 /nfs/dbraw/zinc/26/63/90/330266390.db2.gz JCGVUJSCCFYULG-NSHDSACASA-N 1 2 287.323 2.223 20 30 CEEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000424146886 330293880 /nfs/dbraw/zinc/29/38/80/330293880.db2.gz XNMJTYIDBALHQN-BPUTZDHNSA-N 1 2 289.375 2.390 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2scnc2C2CC2)nn1 ZINC000424166335 330309326 /nfs/dbraw/zinc/30/93/26/330309326.db2.gz AKSIOPFCSHQGEV-UHFFFAOYSA-N 1 2 275.381 2.088 20 30 CEEDLO C=CCn1cc(C[NH2+]Cc2ccnn2C2CCCC2)nn1 ZINC000424172446 330312389 /nfs/dbraw/zinc/31/23/89/330312389.db2.gz NZUPZVQOXJPFEA-UHFFFAOYSA-N 1 2 286.383 2.066 20 30 CEEDLO C=CC[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121295996 330399335 /nfs/dbraw/zinc/39/93/35/330399335.db2.gz NACBVOXOMLASEH-UHFFFAOYSA-N 1 2 269.304 2.287 20 30 CEEDLO C=CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000121393671 330399915 /nfs/dbraw/zinc/39/99/15/330399915.db2.gz KCXUANDXBDIMPV-LLVKDONJSA-N 1 2 283.169 2.093 20 30 CEEDLO C=CC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000121393671 330399916 /nfs/dbraw/zinc/39/99/16/330399916.db2.gz KCXUANDXBDIMPV-LLVKDONJSA-N 1 2 283.169 2.093 20 30 CEEDLO Cn1cc[nH+]c1CS(=O)(=O)CCCCC(C)(C)C#N ZINC000436106866 330669055 /nfs/dbraw/zinc/66/90/55/330669055.db2.gz XUEQBNOOTXRRBW-UHFFFAOYSA-N 1 2 283.397 2.055 20 30 CEEDLO C=CCOC[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OC ZINC000443065772 330793551 /nfs/dbraw/zinc/79/35/51/330793551.db2.gz IONVMDVOFKCIQG-HTAVTVPLSA-N 1 2 291.338 2.144 20 30 CEEDLO C=CC(C)(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000448897919 330887301 /nfs/dbraw/zinc/88/73/01/330887301.db2.gz SYIPNAUQJDWGIO-UHFFFAOYSA-N 1 2 275.274 2.274 20 30 CEEDLO C=CCOC[C@@H]([NH2+][C@H](CC)C1CCCC1)C(=O)OC ZINC000449297549 330912718 /nfs/dbraw/zinc/91/27/18/330912718.db2.gz DHFDMQXHVQECRC-ZIAGYGMSSA-N 1 2 269.385 2.289 20 30 CEEDLO C=CCC[C@@H]([NH2+]CC1(OC)CCCC1)C(=O)OCC ZINC000449657799 330942520 /nfs/dbraw/zinc/94/25/20/330942520.db2.gz QVAOSDTYHWXICZ-CYBMUJFWSA-N 1 2 269.385 2.433 20 30 CEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC000451679547 331038838 /nfs/dbraw/zinc/03/88/38/331038838.db2.gz YYVPDPNNGPTYKM-NEPJUHHUSA-N 1 2 265.357 2.235 20 30 CEEDLO C=CCn1cccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331135 331062574 /nfs/dbraw/zinc/06/25/74/331062574.db2.gz CGCFGNWYWBMHBL-UHFFFAOYSA-N 1 2 270.336 2.459 20 30 CEEDLO C=C(C)CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000454726291 331152409 /nfs/dbraw/zinc/15/24/09/331152409.db2.gz XRXNNKAEZHPFEG-CYBMUJFWSA-N 1 2 276.384 2.334 20 30 CEEDLO C=C(C)CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000455306682 331165074 /nfs/dbraw/zinc/16/50/74/331165074.db2.gz GULZOFUUTMOLII-UHFFFAOYSA-N 1 2 272.352 2.408 20 30 CEEDLO C=C(CC)CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455461041 331170350 /nfs/dbraw/zinc/17/03/50/331170350.db2.gz CECVIERFVPJCIH-NSHDSACASA-N 1 2 250.346 2.229 20 30 CEEDLO C=CCC1(C(=O)NCCc2cn(C)c[nH+]2)CCCC1 ZINC000457878207 331236890 /nfs/dbraw/zinc/23/68/90/331236890.db2.gz WKAXHNNMXLZGKC-UHFFFAOYSA-N 1 2 261.369 2.215 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000458988546 331264345 /nfs/dbraw/zinc/26/43/45/331264345.db2.gz ALVSZIQQMDRKCW-CQSZACIVSA-N 1 2 290.411 2.350 20 30 CEEDLO C=C(C)CCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459003748 331265767 /nfs/dbraw/zinc/26/57/67/331265767.db2.gz PACKJWQLVYNTJK-GFCCVEGCSA-N 1 2 262.357 2.265 20 30 CEEDLO C=CCn1cccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000488767805 332024772 /nfs/dbraw/zinc/02/47/72/332024772.db2.gz WFRSCTGLOZDYHD-UHFFFAOYSA-N 1 2 284.363 2.417 20 30 CEEDLO C=CCn1cccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000488767805 332024773 /nfs/dbraw/zinc/02/47/73/332024773.db2.gz WFRSCTGLOZDYHD-UHFFFAOYSA-N 1 2 284.363 2.417 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(C2CC2)s1 ZINC000490614976 332095533 /nfs/dbraw/zinc/09/55/33/332095533.db2.gz CNPXSCCXSRXLDM-LBPRGKRZSA-N 1 2 290.388 2.275 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(C2CC2)s1 ZINC000490614976 332095534 /nfs/dbraw/zinc/09/55/34/332095534.db2.gz CNPXSCCXSRXLDM-LBPRGKRZSA-N 1 2 290.388 2.275 20 30 CEEDLO C#CC[N@@H+](Cn1ccsc1=O)C1CCCCC1 ZINC000490853554 332120949 /nfs/dbraw/zinc/12/09/49/332120949.db2.gz SWCYQRFYZZSOCY-UHFFFAOYSA-N 1 2 250.367 2.135 20 30 CEEDLO C#CC[N@H+](Cn1ccsc1=O)C1CCCCC1 ZINC000490853554 332120950 /nfs/dbraw/zinc/12/09/50/332120950.db2.gz SWCYQRFYZZSOCY-UHFFFAOYSA-N 1 2 250.367 2.135 20 30 CEEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491266200 332177260 /nfs/dbraw/zinc/17/72/60/332177260.db2.gz OIGUEYOMMDYBQC-ZIAGYGMSSA-N 1 2 299.292 2.073 20 30 CEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491266200 332177262 /nfs/dbraw/zinc/17/72/62/332177262.db2.gz OIGUEYOMMDYBQC-ZIAGYGMSSA-N 1 2 299.292 2.073 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc(F)cc1 ZINC000491288251 332182016 /nfs/dbraw/zinc/18/20/16/332182016.db2.gz QJSMQQBCDZPZFT-UONOGXRCSA-N 1 2 297.333 2.459 20 30 CEEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccc(F)cc1 ZINC000491288251 332182017 /nfs/dbraw/zinc/18/20/17/332182017.db2.gz QJSMQQBCDZPZFT-UONOGXRCSA-N 1 2 297.333 2.459 20 30 CEEDLO C#CCN(C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C1CCCC1 ZINC000491547068 332235866 /nfs/dbraw/zinc/23/58/66/332235866.db2.gz YKDPCIKYGKNHPW-JSGCOSHPSA-N 1 2 286.379 2.476 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491567048 332239307 /nfs/dbraw/zinc/23/93/07/332239307.db2.gz JJAWHHGDADYTKA-AWEZNQCLSA-N 1 2 281.359 2.250 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491567048 332239309 /nfs/dbraw/zinc/23/93/09/332239309.db2.gz JJAWHHGDADYTKA-AWEZNQCLSA-N 1 2 281.359 2.250 20 30 CEEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000491616909 332243838 /nfs/dbraw/zinc/24/38/38/332243838.db2.gz AKOIRTCZNIMSGG-ZFWWWQNUSA-N 1 2 297.333 2.075 20 30 CEEDLO C#C[C@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(F)cc1 ZINC000491624897 332248905 /nfs/dbraw/zinc/24/89/05/332248905.db2.gz HODJWCLPCSOIHZ-INIZCTEOSA-N 1 2 287.338 2.133 20 30 CEEDLO C#CC[N@H+](Cc1nnc2n1CCCC2)C1CCCCC1 ZINC000491735683 332316129 /nfs/dbraw/zinc/31/61/29/332316129.db2.gz GBNFYTWCGKWGFI-UHFFFAOYSA-N 1 2 272.396 2.382 20 30 CEEDLO C#CC[N@@H+](Cc1nnc2n1CCCC2)C1CCCCC1 ZINC000491735683 332316130 /nfs/dbraw/zinc/31/61/30/332316130.db2.gz GBNFYTWCGKWGFI-UHFFFAOYSA-N 1 2 272.396 2.382 20 30 CEEDLO C#C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)C(C)(C)C ZINC000491766458 332334608 /nfs/dbraw/zinc/33/46/08/332334608.db2.gz DHNOBVCMRDIJOP-KKUMJFAQSA-N 1 2 294.439 2.040 20 30 CEEDLO C#C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)C(C)(C)C ZINC000491766458 332334609 /nfs/dbraw/zinc/33/46/09/332334609.db2.gz DHNOBVCMRDIJOP-KKUMJFAQSA-N 1 2 294.439 2.040 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000491781531 332345519 /nfs/dbraw/zinc/34/55/19/332345519.db2.gz LZTOFSPIUNQMDT-KRWDZBQOSA-N 1 2 270.376 2.127 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000491781531 332345520 /nfs/dbraw/zinc/34/55/20/332345520.db2.gz LZTOFSPIUNQMDT-KRWDZBQOSA-N 1 2 270.376 2.127 20 30 CEEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000491792081 332352978 /nfs/dbraw/zinc/35/29/78/332352978.db2.gz DDJZNLZATSSPMJ-CQSZACIVSA-N 1 2 296.374 2.095 20 30 CEEDLO C#CC[N@@H+](Cc1snnc1C)Cc1ccccc1 ZINC000491805907 332359301 /nfs/dbraw/zinc/35/93/01/332359301.db2.gz PNGBSYYBAYENPS-UHFFFAOYSA-N 1 2 257.362 2.482 20 30 CEEDLO C#CC[N@H+](Cc1snnc1C)Cc1ccccc1 ZINC000491805907 332359302 /nfs/dbraw/zinc/35/93/02/332359302.db2.gz PNGBSYYBAYENPS-UHFFFAOYSA-N 1 2 257.362 2.482 20 30 CEEDLO C#C[C@H](C)[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000491817291 332367862 /nfs/dbraw/zinc/36/78/62/332367862.db2.gz YHNMPHDJYWTFQA-LBPRGKRZSA-N 1 2 284.319 2.369 20 30 CEEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000491817291 332367864 /nfs/dbraw/zinc/36/78/64/332367864.db2.gz YHNMPHDJYWTFQA-LBPRGKRZSA-N 1 2 284.319 2.369 20 30 CEEDLO C[C@@H](C[N@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000492258307 332389682 /nfs/dbraw/zinc/38/96/82/332389682.db2.gz LNWMGUFTYBSLAL-QWRGUYRKSA-N 1 2 255.362 2.134 20 30 CEEDLO C[C@@H](C[N@@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000492258307 332389684 /nfs/dbraw/zinc/38/96/84/332389684.db2.gz LNWMGUFTYBSLAL-QWRGUYRKSA-N 1 2 255.362 2.134 20 30 CEEDLO C#CCOc1ccc(F)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493417067 332439360 /nfs/dbraw/zinc/43/93/60/332439360.db2.gz IMFLIEKOCDBWDI-GQCTYLIASA-N 1 2 285.278 2.213 20 30 CEEDLO C[C@H](C#N)CN(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000521944571 333224611 /nfs/dbraw/zinc/22/46/11/333224611.db2.gz FLKYYRQVEIUHDT-LLVKDONJSA-N 1 2 283.335 2.490 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000192235302 333233533 /nfs/dbraw/zinc/23/35/33/333233533.db2.gz QIHPNHHOVYPXRF-MRXNPFEDSA-N 1 2 276.355 2.204 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000192235302 333233534 /nfs/dbraw/zinc/23/35/34/333233534.db2.gz QIHPNHHOVYPXRF-MRXNPFEDSA-N 1 2 276.355 2.204 20 30 CEEDLO N#CCCCOc1cccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000174365990 335153175 /nfs/dbraw/zinc/15/31/75/335153175.db2.gz VTLQUZDJESWGRJ-UHFFFAOYSA-N 1 2 270.336 2.382 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCCC1(C)C ZINC000576230449 335174811 /nfs/dbraw/zinc/17/48/11/335174811.db2.gz AMAGWHJIGGAILF-IUODEOHRSA-N 1 2 265.401 2.163 20 30 CEEDLO CCNC(=O)C[N@H+](CC)CC#Cc1ccccc1Cl ZINC000134961235 334109610 /nfs/dbraw/zinc/10/96/10/334109610.db2.gz YTAFBQQIRMRXRO-UHFFFAOYSA-N 1 2 278.783 2.150 20 30 CEEDLO CCNC(=O)C[N@@H+](CC)CC#Cc1ccccc1Cl ZINC000134961235 334109611 /nfs/dbraw/zinc/10/96/11/334109611.db2.gz YTAFBQQIRMRXRO-UHFFFAOYSA-N 1 2 278.783 2.150 20 30 CEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C(N)=O)C1 ZINC000249556990 334336496 /nfs/dbraw/zinc/33/64/96/334336496.db2.gz KDVPISPJUVJCNV-IUODEOHRSA-N 1 2 290.794 2.277 20 30 CEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C(N)=O)C1 ZINC000249556990 334336498 /nfs/dbraw/zinc/33/64/98/334336498.db2.gz KDVPISPJUVJCNV-IUODEOHRSA-N 1 2 290.794 2.277 20 30 CEEDLO C=CCCOCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000566486625 334651972 /nfs/dbraw/zinc/65/19/72/334651972.db2.gz KMRJNFIYZOCCMN-UHFFFAOYSA-N 1 2 277.368 2.098 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2ccccc21 ZINC000567053148 334676839 /nfs/dbraw/zinc/67/68/39/334676839.db2.gz SWOAXACSXQZKTJ-QGZVFWFLSA-N 1 2 281.359 2.413 20 30 CEEDLO CCCCC[N@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000183055279 520161857 /nfs/dbraw/zinc/16/18/57/520161857.db2.gz MVLFGODVCJBMMX-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO CCCCC[N@@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000183055279 520161869 /nfs/dbraw/zinc/16/18/69/520161869.db2.gz MVLFGODVCJBMMX-UHFFFAOYSA-N 1 2 277.343 2.175 20 30 CEEDLO [O-]C(N[C@@H]1CCCC(F)(F)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330282486 534763794 /nfs/dbraw/zinc/76/37/94/534763794.db2.gz VIQPKWNRRWVRLG-GHMZBOCLSA-N 1 2 298.337 2.279 20 30 CEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCC(F)(F)C1 ZINC000330282486 534763799 /nfs/dbraw/zinc/76/37/99/534763799.db2.gz VIQPKWNRRWVRLG-GHMZBOCLSA-N 1 2 298.337 2.279 20 30 CEEDLO O=C(CC[C@@H]1CCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330329818 534765854 /nfs/dbraw/zinc/76/58/54/534765854.db2.gz WRRSQBOIZJFAHA-RYUDHWBXSA-N 1 2 263.341 2.114 20 30 CEEDLO C=CC[N@@H+](Cc1ccsc1C)[C@H]1CCS(=O)(=O)C1 ZINC000350629514 526378971 /nfs/dbraw/zinc/37/89/71/526378971.db2.gz PBAGDSVFIOSESC-ZDUSSCGKSA-N 1 2 285.434 2.232 20 30 CEEDLO C=CC[N@H+](Cc1ccsc1C)[C@H]1CCS(=O)(=O)C1 ZINC000350629514 526378977 /nfs/dbraw/zinc/37/89/77/526378977.db2.gz PBAGDSVFIOSESC-ZDUSSCGKSA-N 1 2 285.434 2.232 20 30 CEEDLO C=CCOCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000354584649 526724017 /nfs/dbraw/zinc/72/40/17/526724017.db2.gz YTQWVCASDOFNHF-UHFFFAOYSA-N 1 2 271.320 2.228 20 30 CEEDLO C=CCOCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000354452020 526725617 /nfs/dbraw/zinc/72/56/17/526725617.db2.gz UMJVQACWAYZGTM-UHFFFAOYSA-N 1 2 257.293 2.013 20 30 CEEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367720901 526736621 /nfs/dbraw/zinc/73/66/21/526736621.db2.gz JNMMDENEKZQYCO-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO C=CC[C@H](CO)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351923566 527176597 /nfs/dbraw/zinc/17/65/97/527176597.db2.gz YAPQTDBCVKNFNV-LBPRGKRZSA-N 1 2 263.341 2.005 20 30 CEEDLO CCOC[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356122887 528925054 /nfs/dbraw/zinc/92/50/54/528925054.db2.gz MFBWVYFHNZKHKP-LLVKDONJSA-N 1 2 265.382 2.263 20 30 CEEDLO CCOC[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356122887 528925061 /nfs/dbraw/zinc/92/50/61/528925061.db2.gz MFBWVYFHNZKHKP-LLVKDONJSA-N 1 2 265.382 2.263 20 30 CEEDLO CC(C)CN(CCC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000726769899 574430171 /nfs/dbraw/zinc/43/01/71/574430171.db2.gz CZERIEQZXRCXKJ-UHFFFAOYSA-N 1 2 284.363 2.275 20 30 CEEDLO Cc1ccc(N[NH+]=Cc2ccc(N(C)C)c(F)c2)nn1 ZINC000729937784 574496531 /nfs/dbraw/zinc/49/65/31/574496531.db2.gz DMHKTQRYRPBVCU-UHFFFAOYSA-N 1 2 273.315 2.436 20 30 CEEDLO COc1cccc(O)c1/C=[NH+]/CCCN1CCCCC1=O ZINC000730146848 574502698 /nfs/dbraw/zinc/50/26/98/574502698.db2.gz HGCMCMAZUJUHIK-SFQUDFHCSA-N 1 2 290.363 2.222 20 30 CEEDLO Cc1nn(C)c(C)c1C=NNc1cc[nH+]c2ccccc12 ZINC000730148525 574502881 /nfs/dbraw/zinc/50/28/81/574502881.db2.gz WLXUJKQXEUDDMU-UHFFFAOYSA-N 1 2 279.347 2.453 20 30 CEEDLO Cn1ccc(CC/[NH+]=C/c2cc(Cl)ccc2O)n1 ZINC000761015321 574518342 /nfs/dbraw/zinc/51/83/42/574518342.db2.gz LEPQJMGUUPYTNB-OQLLNIDSSA-N 1 2 263.728 2.441 20 30 CEEDLO c1c[nH+]c(CN=Nc2ncnc3sc4c(c32)CCC4)[nH]1 ZINC000731148997 574590106 /nfs/dbraw/zinc/59/01/06/574590106.db2.gz DGYJMWSKVVEXLE-UHFFFAOYSA-N 1 2 284.348 2.349 20 30 CEEDLO O=C1/C(=C\c2ncc[nH]2)CCC/C1=C/c1[nH]cc[nH+]1 ZINC000731156063 574590267 /nfs/dbraw/zinc/59/02/67/574590267.db2.gz ZJHKTEAMAVSKGF-WGEIWTTOSA-N 1 2 254.293 2.353 20 30 CEEDLO CCn1cc(C=NNc2cc[nH+]c3ccccc23)cn1 ZINC000732532097 574623082 /nfs/dbraw/zinc/62/30/82/574623082.db2.gz DBYHRQUWNGDOKN-UHFFFAOYSA-N 1 2 265.320 2.319 20 30 CEEDLO Cc1[nH]c[nH+]c1C=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000755631892 574736979 /nfs/dbraw/zinc/73/69/79/574736979.db2.gz PWNNWQDWDVAGEW-UHFFFAOYSA-N 1 2 276.250 2.319 20 30 CEEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2cccnn2)CCO1 ZINC000735973904 574772680 /nfs/dbraw/zinc/77/26/80/574772680.db2.gz WLNLPTGADBKOKA-CYBMUJFWSA-N 1 2 297.362 2.148 20 30 CEEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1ccc(Cl)cc1 ZINC000736296648 574781261 /nfs/dbraw/zinc/78/12/61/574781261.db2.gz LQMGNMCGTSHPJF-UHFFFAOYSA-N 1 2 292.726 2.438 20 30 CEEDLO C=C(C)COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741345926 574983199 /nfs/dbraw/zinc/98/31/99/574983199.db2.gz IWVNOMCCXPMKDP-MRXNPFEDSA-N 1 2 289.375 2.397 20 30 CEEDLO C=C(C)COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741345926 574983201 /nfs/dbraw/zinc/98/32/01/574983201.db2.gz IWVNOMCCXPMKDP-MRXNPFEDSA-N 1 2 289.375 2.397 20 30 CEEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)c1nc(C2CC2)no1 ZINC000742353040 575015532 /nfs/dbraw/zinc/01/55/32/575015532.db2.gz MEPJOHZSQGWJLU-MRVPVSSYSA-N 1 2 290.298 2.484 20 30 CEEDLO C#CCOc1cc(F)ccc1NCc1c[nH+]cn1C ZINC000742376571 575018071 /nfs/dbraw/zinc/01/80/71/575018071.db2.gz YDWKHUOFWBLLER-UHFFFAOYSA-N 1 2 259.284 2.183 20 30 CEEDLO C=C(Cl)C[S@@](=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000742440028 575022223 /nfs/dbraw/zinc/02/22/23/575022223.db2.gz MSVHSACNSBZVSQ-QGZVFWFLSA-N 1 2 286.706 2.447 20 30 CEEDLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H](C)O1 ZINC000744122141 575114169 /nfs/dbraw/zinc/11/41/69/575114169.db2.gz WVVKEEIPWHUBMR-OKILXGFUSA-N 1 2 296.374 2.488 20 30 CEEDLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H](C)O1 ZINC000744122141 575114170 /nfs/dbraw/zinc/11/41/70/575114170.db2.gz WVVKEEIPWHUBMR-OKILXGFUSA-N 1 2 296.374 2.488 20 30 CEEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(F)cc2)s1 ZINC000744180612 575116065 /nfs/dbraw/zinc/11/60/65/575116065.db2.gz UWVSORBYWTWLLY-UHFFFAOYSA-N 1 2 265.313 2.428 20 30 CEEDLO CON=Cc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1 ZINC000748287007 575182147 /nfs/dbraw/zinc/18/21/47/575182147.db2.gz MDTPDZRHFWRLOI-UHFFFAOYSA-N 1 2 285.303 2.323 20 30 CEEDLO CCC(CC)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787561 575234291 /nfs/dbraw/zinc/23/42/91/575234291.db2.gz RVHJVKTVNATSDN-JTQLQIEISA-N 1 2 295.358 2.156 20 30 CEEDLO C#C[C@@H](CC)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000752932006 575316562 /nfs/dbraw/zinc/31/65/62/575316562.db2.gz YTAKZHGPRAOQRP-ZDUSSCGKSA-N 1 2 266.348 2.347 20 30 CEEDLO C#CCC[NH+]1CC(N(CC)C(=O)C23CCC(CC2)C3)C1 ZINC000950631346 612990247 /nfs/dbraw/zinc/99/02/47/612990247.db2.gz LJTMYDHLWMJOOH-UHFFFAOYSA-N 1 2 274.408 2.123 20 30 CEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(CCC)n[nH]2)C1 ZINC000951104797 613295926 /nfs/dbraw/zinc/29/59/26/613295926.db2.gz FSFVTRIQZUYFOE-UHFFFAOYSA-N 1 2 290.411 2.085 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000950369333 613319624 /nfs/dbraw/zinc/31/96/24/613319624.db2.gz HPPIWJQZYLHJTQ-HOCLYGCPSA-N 1 2 262.397 2.287 20 30 CEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000957507040 613320632 /nfs/dbraw/zinc/32/06/32/613320632.db2.gz XOZLBMIWLUGUGA-UHFFFAOYSA-N 1 2 285.391 2.293 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccco2)C1 ZINC000969216095 613371752 /nfs/dbraw/zinc/37/17/52/613371752.db2.gz NMYXDGWRZRJYQV-SNVBAGLBSA-N 1 2 268.744 2.082 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cncc(C)c2)C1 ZINC000969435916 613371929 /nfs/dbraw/zinc/37/19/29/613371929.db2.gz OIBWISGVOGRNER-GFCCVEGCSA-N 1 2 293.798 2.193 20 30 CEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(F)nc2)C1 ZINC000969391768 613372416 /nfs/dbraw/zinc/37/24/16/613372416.db2.gz NQRKSFXOPGPTDA-JTQLQIEISA-N 1 2 297.761 2.023 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC000964550645 613378182 /nfs/dbraw/zinc/37/81/82/613378182.db2.gz QQMFBIUENARBHJ-SMDDNHRTSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC000964550645 613378183 /nfs/dbraw/zinc/37/81/83/613378183.db2.gz QQMFBIUENARBHJ-SMDDNHRTSA-N 1 2 293.798 2.274 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccco2)C(C)(C)C1 ZINC000977375835 613380805 /nfs/dbraw/zinc/38/08/05/613380805.db2.gz YORSUWGBUUQSCQ-ZDUSSCGKSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccco2)C(C)(C)C1 ZINC000977375835 613380806 /nfs/dbraw/zinc/38/08/06/613380806.db2.gz YORSUWGBUUQSCQ-ZDUSSCGKSA-N 1 2 296.798 2.401 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000957545920 613563241 /nfs/dbraw/zinc/56/32/41/613563241.db2.gz LJUSIFMWWDXUKC-INIZCTEOSA-N 1 2 284.403 2.348 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000950477426 613654952 /nfs/dbraw/zinc/65/49/52/613654952.db2.gz XPDQVAHYEQFXTJ-NSHDSACASA-N 1 2 272.339 2.141 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000957098545 613657814 /nfs/dbraw/zinc/65/78/14/613657814.db2.gz UCBCXAKJARUAFA-UHFFFAOYSA-N 1 2 298.390 2.204 20 30 CEEDLO C=CC[N@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000981822236 613699485 /nfs/dbraw/zinc/69/94/85/613699485.db2.gz YOUMWJKZNOXPSX-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO C=CC[N@@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000981822236 613699487 /nfs/dbraw/zinc/69/94/87/613699487.db2.gz YOUMWJKZNOXPSX-UHFFFAOYSA-N 1 2 285.800 2.130 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1 ZINC000957921081 613707150 /nfs/dbraw/zinc/70/71/50/613707150.db2.gz VGAZDKWNHAATHH-UHFFFAOYSA-N 1 2 290.329 2.439 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000957589473 613708410 /nfs/dbraw/zinc/70/84/10/613708410.db2.gz MRODUVZZCRSGMB-UHFFFAOYSA-N 1 2 297.402 2.362 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC000957409367 613709429 /nfs/dbraw/zinc/70/94/29/613709429.db2.gz NOZNJFSADQBNMY-UHFFFAOYSA-N 1 2 276.355 2.007 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000950703211 613709528 /nfs/dbraw/zinc/70/95/28/613709528.db2.gz IQNSBILNHAALLX-UHFFFAOYSA-N 1 2 296.773 2.352 20 30 CEEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 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Cn1cc(C[N@H+](CCC#N)CC2CC2)c(C2CC2)n1 ZINC000891937708 624121368 /nfs/dbraw/zinc/12/13/68/624121368.db2.gz PPZJQDPSLHQYPS-UHFFFAOYSA-N 1 2 258.369 2.423 20 30 CEEDLO Cn1cc(C[N@@H+](CCC#N)CC2CC2)c(C2CC2)n1 ZINC000891937708 624121373 /nfs/dbraw/zinc/12/13/73/624121373.db2.gz PPZJQDPSLHQYPS-UHFFFAOYSA-N 1 2 258.369 2.423 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934004663 624158574 /nfs/dbraw/zinc/15/85/74/624158574.db2.gz UADXYYOCCPIKJR-UHFFFAOYSA-N 1 2 274.364 2.445 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934004663 624158576 /nfs/dbraw/zinc/15/85/76/624158576.db2.gz UADXYYOCCPIKJR-UHFFFAOYSA-N 1 2 274.364 2.445 20 30 CEEDLO CC(C)C#CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000820412324 634401329 /nfs/dbraw/zinc/40/13/29/634401329.db2.gz LTMSPTWOPSSQKO-INIZCTEOSA-N 1 2 270.376 2.161 20 30 CEEDLO CC(C)C#CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000820412324 634401330 /nfs/dbraw/zinc/40/13/30/634401330.db2.gz LTMSPTWOPSSQKO-INIZCTEOSA-N 1 2 270.376 2.161 20 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ZINC000773596571 646761581 /nfs/dbraw/zinc/76/15/81/646761581.db2.gz DLOAVACEMIPVGC-ZFWWWQNUSA-N 1 2 296.374 2.025 20 30 CEEDLO CCOCCON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000774419014 646844885 /nfs/dbraw/zinc/84/48/85/646844885.db2.gz YIBVRGKLPMNRBK-UHFFFAOYSA-N 1 2 265.338 2.321 20 30 CEEDLO CCOCCO[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000774433594 646846530 /nfs/dbraw/zinc/84/65/30/646846530.db2.gz KUGALVHCSPKJMU-UHFFFAOYSA-N 1 2 271.386 2.376 20 30 CEEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775606611 646972258 /nfs/dbraw/zinc/97/22/58/646972258.db2.gz CROTYSSXLFLFSC-OAHLLOKOSA-N 1 2 279.742 2.471 20 30 CEEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775606611 646972261 /nfs/dbraw/zinc/97/22/61/646972261.db2.gz CROTYSSXLFLFSC-OAHLLOKOSA-N 1 2 279.742 2.471 20 30 CEEDLO C#C[C@H]([NH2+]Cc1csc(CCC)n1)[C@@H]1CCCO1 ZINC000775785460 646991955 /nfs/dbraw/zinc/99/19/55/646991955.db2.gz OWFUBLGNZYEIQD-STQMWFEESA-N 1 2 264.394 2.366 20 30 CEEDLO C#C[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)[C@@H]1CCCO1 ZINC000775788099 646992465 /nfs/dbraw/zinc/99/24/65/646992465.db2.gz CHFKVCOHRPZSMQ-AAEUAGOBSA-N 1 2 274.295 2.237 20 30 CEEDLO C#C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000775793071 646994044 /nfs/dbraw/zinc/99/40/44/646994044.db2.gz JGMXAHXIJJTDOL-DGCLKSJQSA-N 1 2 256.305 2.098 20 30 CEEDLO C=C(C)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC000864530920 647037634 /nfs/dbraw/zinc/03/76/34/647037634.db2.gz PPQRNVGXZUXEHW-OAHLLOKOSA-N 1 2 285.347 2.381 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000777961043 647192886 /nfs/dbraw/zinc/19/28/86/647192886.db2.gz SXYKCXVXDGWSKK-UHFFFAOYSA-N 1 2 293.411 2.343 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000777961043 647192891 /nfs/dbraw/zinc/19/28/91/647192891.db2.gz SXYKCXVXDGWSKK-UHFFFAOYSA-N 1 2 293.411 2.343 20 30 CEEDLO Cc1ccc(NC(=O)NCC(C)(C)C#N)c(N(C)C)[nH+]1 ZINC000781876941 647568041 /nfs/dbraw/zinc/56/80/41/647568041.db2.gz VRZLDTXBCCWLHE-UHFFFAOYSA-N 1 2 275.356 2.127 20 30 CEEDLO N#CCC1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000781928327 647572719 /nfs/dbraw/zinc/57/27/19/647572719.db2.gz XXWBNKHSYLMARR-UHFFFAOYSA-N 1 2 281.363 2.393 20 30 CEEDLO N#C[C@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041191 647583317 /nfs/dbraw/zinc/58/33/17/647583317.db2.gz ICCVFPWXLIDBDN-BEFAXECRSA-N 1 2 295.430 2.464 20 30 CEEDLO N#C[C@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CCN1C1CC1 ZINC000782041191 647583319 /nfs/dbraw/zinc/58/33/19/647583319.db2.gz ICCVFPWXLIDBDN-BEFAXECRSA-N 1 2 295.430 2.464 20 30 CEEDLO C[C@@H]([NH2+]CCCn1cccn1)c1cccc(C#N)c1O ZINC000866225031 647679264 /nfs/dbraw/zinc/67/92/64/647679264.db2.gz MCYNQFVOCPYNBO-GFCCVEGCSA-N 1 2 270.336 2.201 20 30 CEEDLO CCN(CC[NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866254694 647698589 /nfs/dbraw/zinc/69/85/89/647698589.db2.gz WDANKKSPQDRQEA-GFCCVEGCSA-N 1 2 273.380 2.399 20 30 CEEDLO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)on1 ZINC000866261942 647701849 /nfs/dbraw/zinc/70/18/49/647701849.db2.gz YSCGURKTNFLPSV-JTQLQIEISA-N 1 2 257.293 2.411 20 30 CEEDLO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866270063 647708287 /nfs/dbraw/zinc/70/82/87/647708287.db2.gz IUNLYNJRFASRQX-GBIKHYSHSA-N 1 2 280.393 2.027 20 30 CEEDLO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866273782 647710622 /nfs/dbraw/zinc/71/06/22/647710622.db2.gz BKBCYHFNRYJHTN-RISCZKNCSA-N 1 2 262.353 2.321 20 30 CEEDLO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C#N)c1O ZINC000866277006 647713208 /nfs/dbraw/zinc/71/32/08/647713208.db2.gz GZBNGACPPDQACQ-STQMWFEESA-N 1 2 273.380 2.256 20 30 CEEDLO Cc1noc(CCC[NH2+][C@@H](C)c2cccc(C#N)c2O)n1 ZINC000866293975 647720449 /nfs/dbraw/zinc/72/04/49/647720449.db2.gz AUKGMLFGPXOQBH-JTQLQIEISA-N 1 2 286.335 2.239 20 30 CEEDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)[nH]1 ZINC000866313278 647732060 /nfs/dbraw/zinc/73/20/60/647732060.db2.gz YPZKGEDDWPQKGG-ZJUUUORDSA-N 1 2 285.351 2.356 20 30 CEEDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(C#N)c1O ZINC000866338093 647742861 /nfs/dbraw/zinc/74/28/61/647742861.db2.gz OCTGSSOWUJEPSK-LLVKDONJSA-N 1 2 297.362 2.042 20 30 CEEDLO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2O)[nH]1 ZINC000866363915 647757014 /nfs/dbraw/zinc/75/70/14/647757014.db2.gz NNFZVJPTHNVHAK-SNVBAGLBSA-N 1 2 285.351 2.356 20 30 CEEDLO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866372502 647762001 /nfs/dbraw/zinc/76/20/01/647762001.db2.gz RFRXRGYWWXFGRK-RYUDHWBXSA-N 1 2 284.363 2.279 20 30 CEEDLO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1O ZINC000866377773 647763745 /nfs/dbraw/zinc/76/37/45/647763745.db2.gz XSYOOQNOOYGVPQ-PWSUYJOCSA-N 1 2 295.333 2.254 20 30 CEEDLO CC(C)OCCNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783864497 647772257 /nfs/dbraw/zinc/77/22/57/647772257.db2.gz WPZWOAWABAKMEU-UHFFFAOYSA-N 1 2 278.381 2.282 20 30 CEEDLO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(C#N)c1O ZINC000866400000 647774157 /nfs/dbraw/zinc/77/41/57/647774157.db2.gz YKJJEIKDFZXLTJ-PSOPSSQASA-N 1 2 272.348 2.482 20 30 CEEDLO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(C#N)c1O ZINC000866447611 647791795 /nfs/dbraw/zinc/79/17/95/647791795.db2.gz LHXANZWODDSYGX-ZHPDPMBESA-N 1 2 260.337 2.480 20 30 CEEDLO C=CCC[N@@H+](C)Cn1c2c(sc1=O)CCCC2 ZINC000786100911 647985490 /nfs/dbraw/zinc/98/54/90/647985490.db2.gz CDEUOVOIZRENKP-UHFFFAOYSA-N 1 2 252.383 2.254 20 30 CEEDLO C=CCC[N@H+](C)Cn1c2c(sc1=O)CCCC2 ZINC000786100911 647985492 /nfs/dbraw/zinc/98/54/92/647985492.db2.gz CDEUOVOIZRENKP-UHFFFAOYSA-N 1 2 252.383 2.254 20 30 CEEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)[C@@H]1c1cccs1 ZINC000805839875 648111777 /nfs/dbraw/zinc/11/17/77/648111777.db2.gz UVNAZSUVJUWMNJ-CYBMUJFWSA-N 1 2 277.393 2.161 20 30 CEEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)[C@@H]1c1cccs1 ZINC000805839875 648111781 /nfs/dbraw/zinc/11/17/81/648111781.db2.gz UVNAZSUVJUWMNJ-CYBMUJFWSA-N 1 2 277.393 2.161 20 30 CEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2oc(C)nc21 ZINC000868765697 648255796 /nfs/dbraw/zinc/25/57/96/648255796.db2.gz FLIPVHBUHCZMJI-ZDUSSCGKSA-N 1 2 283.331 2.172 20 30 CEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2oc(C)nc21 ZINC000868765697 648255804 /nfs/dbraw/zinc/25/58/04/648255804.db2.gz FLIPVHBUHCZMJI-ZDUSSCGKSA-N 1 2 283.331 2.172 20 30 CEEDLO CC[C@@H](C)N[NH+]=Cc1c(C)nn2c1[nH]c1ccccc1c2=O ZINC000790184172 648391549 /nfs/dbraw/zinc/39/15/49/648391549.db2.gz YOYOGIGEFJHVEM-SNVBAGLBSA-N 1 2 297.362 2.206 20 30 CEEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1OC(F)F ZINC000790299700 648402672 /nfs/dbraw/zinc/40/26/72/648402672.db2.gz HNSMRRBITAOINZ-UHFFFAOYSA-N 1 2 296.277 2.476 20 30 CEEDLO C#CC[C@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000869392735 648440518 /nfs/dbraw/zinc/44/05/18/648440518.db2.gz ISRYUNCIKOUAOF-INIZCTEOSA-N 1 2 293.370 2.287 20 30 CEEDLO CC(C)([NH2+]Cc1cccc(F)c1C#N)C(=O)N1CCCC1 ZINC000794531484 648878559 /nfs/dbraw/zinc/87/85/59/648878559.db2.gz MPYKHHNPFLWFAB-UHFFFAOYSA-N 1 2 289.354 2.188 20 30 CEEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccnn1C ZINC000873151880 649571163 /nfs/dbraw/zinc/57/11/63/649571163.db2.gz CEYLZHIULHCHAW-JTQLQIEISA-N 1 2 258.300 2.282 20 30 CEEDLO CCCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000878817955 651192128 /nfs/dbraw/zinc/19/21/28/651192128.db2.gz ZHJBIQSCTILWES-OLZOCXBDSA-N 1 2 253.390 2.353 20 30 CEEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737772 651345310 /nfs/dbraw/zinc/34/53/10/651345310.db2.gz IYDYJSAFKYQEGJ-MRXNPFEDSA-N 1 2 277.364 2.271 20 30 CEEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737772 651345311 /nfs/dbraw/zinc/34/53/11/651345311.db2.gz IYDYJSAFKYQEGJ-MRXNPFEDSA-N 1 2 277.364 2.271 20 30 CEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757449 651348198 /nfs/dbraw/zinc/34/81/98/651348198.db2.gz AXQFORZFOVOPCU-UHFFFAOYSA-N 1 2 258.793 2.319 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757449 651348199 /nfs/dbraw/zinc/34/81/99/651348199.db2.gz AXQFORZFOVOPCU-UHFFFAOYSA-N 1 2 258.793 2.319 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880236307 651405979 /nfs/dbraw/zinc/40/59/79/651405979.db2.gz XNEPWEKTOVNJLU-HIFRSBDPSA-N 1 2 290.338 2.454 20 30 CEEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CF)C1 ZINC000880236307 651405980 /nfs/dbraw/zinc/40/59/80/651405980.db2.gz XNEPWEKTOVNJLU-HIFRSBDPSA-N 1 2 290.338 2.454 20 30 CEEDLO C#CCC1(O)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000880478820 651447831 /nfs/dbraw/zinc/44/78/31/651447831.db2.gz HDHPNMBCCRYOQD-UHFFFAOYSA-N 1 2 272.323 2.048 20 30 CEEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000880588184 651466437 /nfs/dbraw/zinc/46/64/37/651466437.db2.gz SEPDDFBCPVBPTA-AWEZNQCLSA-N 1 2 277.343 2.029 20 30 CEEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000880588184 651466438 /nfs/dbraw/zinc/46/64/38/651466438.db2.gz SEPDDFBCPVBPTA-AWEZNQCLSA-N 1 2 277.343 2.029 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ncncc2C1 ZINC000880594281 651467731 /nfs/dbraw/zinc/46/77/31/651467731.db2.gz BBWCQOCNPDZIEK-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ncncc2C1 ZINC000880594281 651467733 /nfs/dbraw/zinc/46/77/33/651467733.db2.gz BBWCQOCNPDZIEK-GFCCVEGCSA-N 1 2 264.332 2.468 20 30 CEEDLO COc1ccc(C(N)=[NH+]OCc2cnc(C3CC3)o2)cc1 ZINC000882956663 652287415 /nfs/dbraw/zinc/28/74/15/652287415.db2.gz LONCOTKABFXJLT-UHFFFAOYSA-N 1 2 287.319 2.398 20 30 CEEDLO C=CC[NH+]1CCN([C@@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001165031553 721865602 /nfs/dbraw/zinc/86/56/02/721865602.db2.gz NNJKUIVPCHPIHJ-CYBMUJFWSA-N 1 2 285.750 2.171 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347430904 806905424 /nfs/dbraw/zinc/90/54/24/806905424.db2.gz NCYNWQLCWTYUHN-ZIAGYGMSSA-N 1 2 291.395 2.107 20 30 CEEDLO C=CCCC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001266925584 803000799 /nfs/dbraw/zinc/00/07/99/803000799.db2.gz QQFGUAOTQCWLJI-GFCCVEGCSA-N 1 2 279.384 2.359 20 30 CEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132301857 812820837 /nfs/dbraw/zinc/82/08/37/812820837.db2.gz IGAHMUJKHQYYBL-UHFFFAOYSA-N 1 2 279.384 2.045 20 30 CEEDLO N#Cc1ccc2c(c1)ncnc2NCc1cc[nH+]c(N)c1 ZINC001167612448 803200478 /nfs/dbraw/zinc/20/04/78/803200478.db2.gz BZSUQTMNNZTVMR-UHFFFAOYSA-N 1 2 276.303 2.091 20 30 CEEDLO N#Cc1ccc2ncc(NCc3cc[nH+]c(N)c3)nc2c1 ZINC001167617323 803204360 /nfs/dbraw/zinc/20/43/60/803204360.db2.gz ODXZPUPECTWHND-UHFFFAOYSA-N 1 2 276.303 2.091 20 30 CEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038281621 803372171 /nfs/dbraw/zinc/37/21/71/803372171.db2.gz UGSBZVISZNKZRI-GFCCVEGCSA-N 1 2 276.767 2.086 20 30 CEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038281621 803372177 /nfs/dbraw/zinc/37/21/77/803372177.db2.gz UGSBZVISZNKZRI-GFCCVEGCSA-N 1 2 276.767 2.086 20 30 CEEDLO C#Cc1cc(Nc2ccc(OCOC)cc2)cc[nH+]1 ZINC001211628543 803480927 /nfs/dbraw/zinc/48/09/27/803480927.db2.gz AEWOETPOKBBYRB-UHFFFAOYSA-N 1 2 254.289 2.211 20 30 CEEDLO N#Cc1cccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1Cl ZINC001140809856 803559604 /nfs/dbraw/zinc/55/96/04/803559604.db2.gz KJAHCNLSOKJYFU-ZDUSSCGKSA-N 1 2 293.773 2.440 20 30 CEEDLO N#Cc1cccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1Cl ZINC001140809856 803559607 /nfs/dbraw/zinc/55/96/07/803559607.db2.gz KJAHCNLSOKJYFU-ZDUSSCGKSA-N 1 2 293.773 2.440 20 30 CEEDLO COC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000690796553 803598523 /nfs/dbraw/zinc/59/85/23/803598523.db2.gz SLDGSMLPVMBBGK-UHFFFAOYSA-N 1 2 295.770 2.342 20 30 CEEDLO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000690796553 803598527 /nfs/dbraw/zinc/59/85/27/803598527.db2.gz SLDGSMLPVMBBGK-UHFFFAOYSA-N 1 2 295.770 2.342 20 30 CEEDLO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001267762411 803716224 /nfs/dbraw/zinc/71/62/24/803716224.db2.gz GRXCOWGNTNXSSZ-HNNXBMFYSA-N 1 2 291.395 2.372 20 30 CEEDLO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001267762411 803716227 /nfs/dbraw/zinc/71/62/27/803716227.db2.gz GRXCOWGNTNXSSZ-HNNXBMFYSA-N 1 2 291.395 2.372 20 30 CEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC)C1 ZINC001267779947 803730697 /nfs/dbraw/zinc/73/06/97/803730697.db2.gz HTIKJTIITUGLNV-GFCCVEGCSA-N 1 2 258.793 2.462 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC)C1 ZINC001267779947 803730700 /nfs/dbraw/zinc/73/07/00/803730700.db2.gz HTIKJTIITUGLNV-GFCCVEGCSA-N 1 2 258.793 2.462 20 30 CEEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038367208 803743169 /nfs/dbraw/zinc/74/31/69/803743169.db2.gz NMOBZCSSULPTOP-GFCCVEGCSA-N 1 2 292.329 2.101 20 30 CEEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038367208 803743183 /nfs/dbraw/zinc/74/31/83/803743183.db2.gz NMOBZCSSULPTOP-GFCCVEGCSA-N 1 2 292.329 2.101 20 30 CEEDLO C=CC(C)(C)C(=O)NC[C@@H](CC)[NH2+][C@H](C)c1nc(C)no1 ZINC001267813594 803750760 /nfs/dbraw/zinc/75/07/60/803750760.db2.gz AELWPSHGDVVDLW-ZYHUDNBSSA-N 1 2 294.399 2.136 20 30 CEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccco1 ZINC001117931417 814966424 /nfs/dbraw/zinc/96/64/24/814966424.db2.gz CAJQXEGPHCBJTD-OAHLLOKOSA-N 1 2 296.370 2.420 20 30 CEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccco1 ZINC001117931417 814966430 /nfs/dbraw/zinc/96/64/30/814966430.db2.gz CAJQXEGPHCBJTD-OAHLLOKOSA-N 1 2 296.370 2.420 20 30 CEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC001093561167 814972756 /nfs/dbraw/zinc/97/27/56/814972756.db2.gz CKZNNJOOQOBKHS-UHFFFAOYSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001268028974 804087518 /nfs/dbraw/zinc/08/75/18/804087518.db2.gz ACMNNFPQKYLHEL-LSDHHAIUSA-N 1 2 296.455 2.452 20 30 CEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001268028974 804087524 /nfs/dbraw/zinc/08/75/24/804087524.db2.gz ACMNNFPQKYLHEL-LSDHHAIUSA-N 1 2 296.455 2.452 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncoc1CC ZINC001027800175 804262095 /nfs/dbraw/zinc/26/20/95/804262095.db2.gz DDUCFJXTFCHSMQ-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncoc1CC ZINC001027800175 804262102 /nfs/dbraw/zinc/26/21/02/804262102.db2.gz DDUCFJXTFCHSMQ-NSHDSACASA-N 1 2 297.786 2.184 20 30 CEEDLO 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/nfs/dbraw/zinc/16/15/19/816161519.db2.gz PUZPCGHADFINQX-WLLOZRIZSA-N 1 2 262.744 2.397 20 30 CEEDLO C#CC[NH+]1CCN(Cc2cccc(Cl)c2OC)CC1 ZINC001140061988 816183158 /nfs/dbraw/zinc/18/31/58/816183158.db2.gz GBOMUGVAYHSTDX-UHFFFAOYSA-N 1 2 278.783 2.099 20 30 CEEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1F ZINC001140752344 816345072 /nfs/dbraw/zinc/34/50/72/816345072.db2.gz KDHKCWHMROFHGE-ABAIWWIYSA-N 1 2 278.302 2.447 20 30 CEEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)cc1F ZINC001140752344 816345078 /nfs/dbraw/zinc/34/50/78/816345078.db2.gz KDHKCWHMROFHGE-ABAIWWIYSA-N 1 2 278.302 2.447 20 30 CEEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1Cl ZINC001140814296 816373569 /nfs/dbraw/zinc/37/35/69/816373569.db2.gz GSEPODHMWUUCIZ-ZDUSSCGKSA-N 1 2 291.782 2.312 20 30 CEEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140814296 816373578 /nfs/dbraw/zinc/37/35/78/816373578.db2.gz GSEPODHMWUUCIZ-ZDUSSCGKSA-N 1 2 291.782 2.312 20 30 CEEDLO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC001141143768 816485433 /nfs/dbraw/zinc/48/54/33/816485433.db2.gz JORYCUHHNNWHRV-AWEZNQCLSA-N 1 2 271.364 2.251 20 30 CEEDLO CN1CCOc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC001141143768 816485436 /nfs/dbraw/zinc/48/54/36/816485436.db2.gz JORYCUHHNNWHRV-AWEZNQCLSA-N 1 2 271.364 2.251 20 30 CEEDLO COC(=O)C1(C)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141166571 816493682 /nfs/dbraw/zinc/49/36/82/816493682.db2.gz XDOAWPMSOUQTHT-UHFFFAOYSA-N 1 2 290.338 2.472 20 30 CEEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@@H]21 ZINC001176961559 816500814 /nfs/dbraw/zinc/50/08/14/816500814.db2.gz ARCLZDNUDVMNIP-NEFCLYRVSA-N 1 2 292.423 2.076 20 30 CEEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@@H]21 ZINC001176961559 816500818 /nfs/dbraw/zinc/50/08/18/816500818.db2.gz ARCLZDNUDVMNIP-NEFCLYRVSA-N 1 2 292.423 2.076 20 30 CEEDLO C[C@H](C#N)N(C)C(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142368422 816664935 /nfs/dbraw/zinc/66/49/35/816664935.db2.gz NIGNJPGYKXRDSC-HSBSLETESA-N 1 2 294.358 2.315 20 30 CEEDLO O=C(C#Cc1ccccc1)Nc1ccn2cc[nH+]c2c1 ZINC001142858010 816741226 /nfs/dbraw/zinc/74/12/26/816741226.db2.gz XGSZSASMJPQMFZ-UHFFFAOYSA-N 1 2 261.284 2.325 20 30 CEEDLO CC(C)O[NH+]=C(N)c1cccc(Br)c1 ZINC000082567046 178096726 /nfs/dbraw/zinc/09/67/26/178096726.db2.gz DKVCSCOJOAOVNX-UHFFFAOYSA-N 1 2 257.131 2.494 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000124742507 187151716 /nfs/dbraw/zinc/15/17/16/187151716.db2.gz GWUHUSLWZKYMCX-GFCCVEGCSA-N 1 2 282.347 2.129 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000124742736 187152058 /nfs/dbraw/zinc/15/20/58/187152058.db2.gz GWUHUSLWZKYMCX-LBPRGKRZSA-N 1 2 282.347 2.129 20 30 CEEDLO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C(=O)OC ZINC000348017246 529401077 /nfs/dbraw/zinc/40/10/77/529401077.db2.gz VGTJRSXJBULAJB-IUODEOHRSA-N 1 2 274.364 2.430 20 30 CEEDLO N#Cc1cc(F)cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000601710101 346884208 /nfs/dbraw/zinc/88/42/08/346884208.db2.gz IDOJTEMWOFPAMP-LLVKDONJSA-N 1 2 284.294 2.095 20 30 CEEDLO CC1(C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]2CCO[C@H]21 ZINC000328998721 539193158 /nfs/dbraw/zinc/19/31/58/539193158.db2.gz VEHDHSFAOLFYBM-YXCITZCRSA-N 1 2 289.379 2.216 20 30 CEEDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C#N)cn1 ZINC000573216995 539250320 /nfs/dbraw/zinc/25/03/20/539250320.db2.gz VUELTHVDHRBVDN-OAQYLSRUSA-N 1 2 299.399 2.323 20 30 CEEDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C#N)cn1 ZINC000573216995 539250321 /nfs/dbraw/zinc/25/03/21/539250321.db2.gz VUELTHVDHRBVDN-OAQYLSRUSA-N 1 2 299.399 2.323 20 30 CEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042454432 362096304 /nfs/dbraw/zinc/09/63/04/362096304.db2.gz WVTNGGNTCNIXAT-ZDUSSCGKSA-N 1 2 251.374 2.013 20 30 CEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042454432 362096307 /nfs/dbraw/zinc/09/63/07/362096307.db2.gz WVTNGGNTCNIXAT-ZDUSSCGKSA-N 1 2 251.374 2.013 20 30 CEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000175174486 539290713 /nfs/dbraw/zinc/29/07/13/539290713.db2.gz SRPNWAGZQKRXBU-DIFFPNOSSA-N 1 2 250.367 2.158 20 30 CEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000175174486 539290714 /nfs/dbraw/zinc/29/07/14/539290714.db2.gz SRPNWAGZQKRXBU-DIFFPNOSSA-N 1 2 250.367 2.158 20 30 CEEDLO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)N(C)CCC#N ZINC000601939702 346933718 /nfs/dbraw/zinc/93/37/18/346933718.db2.gz KYPHRNBGIBFXSG-SMDDNHRTSA-N 1 2 295.333 2.186 20 30 CEEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000045914927 362169908 /nfs/dbraw/zinc/16/99/08/362169908.db2.gz QHMJHXMQFMYUSE-UHFFFAOYSA-N 1 2 296.292 2.096 20 30 CEEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000127664523 365757946 /nfs/dbraw/zinc/75/79/46/365757946.db2.gz JBQUCWIFFBBKPO-UHFFFAOYSA-N 1 2 255.325 2.207 20 30 CEEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000127664523 365757949 /nfs/dbraw/zinc/75/79/49/365757949.db2.gz JBQUCWIFFBBKPO-UHFFFAOYSA-N 1 2 255.325 2.207 20 30 CEEDLO CCc1nc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000330301001 529745861 /nfs/dbraw/zinc/74/58/61/529745861.db2.gz ITZMHFLEKDWWOD-GXSJLCMTSA-N 1 2 277.372 2.011 20 30 CEEDLO CCc1nc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000330301001 529745862 /nfs/dbraw/zinc/74/58/62/529745862.db2.gz ITZMHFLEKDWWOD-GXSJLCMTSA-N 1 2 277.372 2.011 20 30 CEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000331603398 529749297 /nfs/dbraw/zinc/74/92/97/529749297.db2.gz CZPOIIQKROTHBP-CHWSQXEVSA-N 1 2 296.374 2.407 20 30 CEEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602008235 346957150 /nfs/dbraw/zinc/95/71/50/346957150.db2.gz SHZOJIDXYVRGDR-GHMZBOCLSA-N 1 2 277.343 2.090 20 30 CEEDLO N#CCNC(=O)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000066497834 343715886 /nfs/dbraw/zinc/71/58/86/343715886.db2.gz QSFDTCMHAUJLKI-UHFFFAOYSA-N 1 2 291.354 2.309 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000067942410 343749454 /nfs/dbraw/zinc/74/94/54/343749454.db2.gz WPJYSEUVYMNSRO-JKSUJKDBSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000067942410 343749456 /nfs/dbraw/zinc/74/94/56/343749456.db2.gz WPJYSEUVYMNSRO-JKSUJKDBSA-N 1 2 299.374 2.140 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602091689 346971829 /nfs/dbraw/zinc/97/18/29/346971829.db2.gz NAAALNLLFMQUHF-CHWSQXEVSA-N 1 2 274.368 2.302 20 30 CEEDLO CC(C)CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602091689 346971832 /nfs/dbraw/zinc/97/18/32/346971832.db2.gz NAAALNLLFMQUHF-CHWSQXEVSA-N 1 2 274.368 2.302 20 30 CEEDLO Cc1cn2ccc(C(=O)N[C@@]3(C#N)CC3(C)C)cc2[nH+]1 ZINC000602152005 346983094 /nfs/dbraw/zinc/98/30/94/346983094.db2.gz DBTNJKGHGWJSDT-OAHLLOKOSA-N 1 2 268.320 2.065 20 30 CEEDLO Cc1cc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)no1 ZINC000072815492 343811849 /nfs/dbraw/zinc/81/18/49/343811849.db2.gz VCNFHSSNIKBPFN-UHFFFAOYSA-N 1 2 296.374 2.173 20 30 CEEDLO C=CCCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075709760 343863253 /nfs/dbraw/zinc/86/32/53/343863253.db2.gz OZXQQWBCSDYAJW-UHFFFAOYSA-N 1 2 261.247 2.028 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000075915632 343872969 /nfs/dbraw/zinc/87/29/69/343872969.db2.gz BKFVXFOWMOSBPM-UHFFFAOYSA-N 1 2 290.794 2.050 20 30 CEEDLO Cc1ccccc1C[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602331987 347012883 /nfs/dbraw/zinc/01/28/83/347012883.db2.gz IUQIEDKMTSWCNG-RHSMWYFYSA-N 1 2 287.407 2.134 20 30 CEEDLO N#Cc1ccc(F)c(C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000083425081 344077501 /nfs/dbraw/zinc/07/75/01/344077501.db2.gz QMONADNDGRXKQE-UHFFFAOYSA-N 1 2 285.326 2.195 20 30 CEEDLO C[N@H+](CCC#N)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089908929 344130933 /nfs/dbraw/zinc/13/09/33/344130933.db2.gz QFIAVLFMYLHULQ-HNNXBMFYSA-N 1 2 271.364 2.023 20 30 CEEDLO C[N@@H+](CCC#N)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089908929 344130934 /nfs/dbraw/zinc/13/09/34/344130934.db2.gz QFIAVLFMYLHULQ-HNNXBMFYSA-N 1 2 271.364 2.023 20 30 CEEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000602429647 347029279 /nfs/dbraw/zinc/02/92/79/347029279.db2.gz RHLGRXFJWHVHTA-UHFFFAOYSA-N 1 2 296.349 2.415 20 30 CEEDLO CC(C)c1cc(N2CCN(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000090088392 344136219 /nfs/dbraw/zinc/13/62/19/344136219.db2.gz YORAAUBZEGPAME-UHFFFAOYSA-N 1 2 287.411 2.369 20 30 CEEDLO CC[N@@H+](Cc1cc(C)c(C(=O)OC)[nH]1)C[C@H](C)C#N ZINC000602446697 347036646 /nfs/dbraw/zinc/03/66/46/347036646.db2.gz HYRYEPCUXQKBBC-SNVBAGLBSA-N 1 2 263.341 2.091 20 30 CEEDLO CC[N@H+](Cc1cc(C)c(C(=O)OC)[nH]1)C[C@H](C)C#N ZINC000602446697 347036647 /nfs/dbraw/zinc/03/66/47/347036647.db2.gz HYRYEPCUXQKBBC-SNVBAGLBSA-N 1 2 263.341 2.091 20 30 CEEDLO Cn1c(C[N@H+](C)Cc2ccc(C#N)cc2)nnc1C1CC1 ZINC000154843382 344436283 /nfs/dbraw/zinc/43/62/83/344436283.db2.gz XNSZFCFUTWKVKX-UHFFFAOYSA-N 1 2 281.363 2.196 20 30 CEEDLO Cn1c(C[N@@H+](C)Cc2ccc(C#N)cc2)nnc1C1CC1 ZINC000154843382 344436285 /nfs/dbraw/zinc/43/62/85/344436285.db2.gz XNSZFCFUTWKVKX-UHFFFAOYSA-N 1 2 281.363 2.196 20 30 CEEDLO CCC[N@H+](CCOc1ccc(C#N)cc1)CC(=O)OCC ZINC000049947504 362384607 /nfs/dbraw/zinc/38/46/07/362384607.db2.gz HJQMUUUIWYONGV-UHFFFAOYSA-N 1 2 290.363 2.212 20 30 CEEDLO CCC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)OCC ZINC000049947504 362384615 /nfs/dbraw/zinc/38/46/15/362384615.db2.gz HJQMUUUIWYONGV-UHFFFAOYSA-N 1 2 290.363 2.212 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000050064299 362395687 /nfs/dbraw/zinc/39/56/87/362395687.db2.gz IAFRVYXPFJZIQM-CQSZACIVSA-N 1 2 258.321 2.086 20 30 CEEDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000050064299 362395691 /nfs/dbraw/zinc/39/56/91/362395691.db2.gz IAFRVYXPFJZIQM-CQSZACIVSA-N 1 2 258.321 2.086 20 30 CEEDLO N#CCCCOc1ccc[nH+]c1NCc1cncnc1 ZINC000162271015 344467114 /nfs/dbraw/zinc/46/71/14/344467114.db2.gz WGJHOFPEKQEHTD-UHFFFAOYSA-N 1 2 269.308 2.166 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@H+](CCC#N)CC3CC3)cc12 ZINC000176257437 344500526 /nfs/dbraw/zinc/50/05/26/344500526.db2.gz NCBUHWRCUYVNDI-UHFFFAOYSA-N 1 2 283.379 2.402 20 30 CEEDLO Cc1nn(C)c2ncc(C[N@@H+](CCC#N)CC3CC3)cc12 ZINC000176257437 344500528 /nfs/dbraw/zinc/50/05/28/344500528.db2.gz NCBUHWRCUYVNDI-UHFFFAOYSA-N 1 2 283.379 2.402 20 30 CEEDLO C=CCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000051778809 362436613 /nfs/dbraw/zinc/43/66/13/362436613.db2.gz SDQLFIDQAJECBW-UHFFFAOYSA-N 1 2 297.314 2.115 20 30 CEEDLO NC(=[NH+]OCCCc1cccc(F)c1)[C@@H]1CCCO1 ZINC000284026013 344677963 /nfs/dbraw/zinc/67/79/63/344677963.db2.gz IHVLUVUBZZHJFT-ZDUSSCGKSA-N 1 2 266.316 2.226 20 30 CEEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CC1 ZINC000343313412 344772991 /nfs/dbraw/zinc/77/29/91/344772991.db2.gz HQQVTOGBMPCCSM-UHFFFAOYSA-N 1 2 288.347 2.167 20 30 CEEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CC1 ZINC000343313412 344772993 /nfs/dbraw/zinc/77/29/93/344772993.db2.gz HQQVTOGBMPCCSM-UHFFFAOYSA-N 1 2 288.347 2.167 20 30 CEEDLO COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397579872 344851617 /nfs/dbraw/zinc/85/16/17/344851617.db2.gz HEVHKJOITOTQRW-ZDUSSCGKSA-N 1 2 287.363 2.259 20 30 CEEDLO COc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397579872 344851619 /nfs/dbraw/zinc/85/16/19/344851619.db2.gz HEVHKJOITOTQRW-ZDUSSCGKSA-N 1 2 287.363 2.259 20 30 CEEDLO C#C[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)C(C)(C)C ZINC000491620967 344912871 /nfs/dbraw/zinc/91/28/71/344912871.db2.gz GJANMTWADWYCOH-RYUDHWBXSA-N 1 2 276.384 2.311 20 30 CEEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCCSCC#N ZINC000586777602 345020195 /nfs/dbraw/zinc/02/01/95/345020195.db2.gz SCUUKHCPTXUTKL-ZJUUUORDSA-N 1 2 282.331 2.285 20 30 CEEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCCSCC#N ZINC000586777602 345020198 /nfs/dbraw/zinc/02/01/98/345020198.db2.gz SCUUKHCPTXUTKL-ZJUUUORDSA-N 1 2 282.331 2.285 20 30 CEEDLO N#Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000586773752 345020241 /nfs/dbraw/zinc/02/02/41/345020241.db2.gz CYPBOVSMTZOMKX-AWEZNQCLSA-N 1 2 298.321 2.371 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)ccn1 ZINC000590208389 345121429 /nfs/dbraw/zinc/12/14/29/345121429.db2.gz LAJJVMBIHSMRNZ-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)ccn1 ZINC000590208389 345121433 /nfs/dbraw/zinc/12/14/33/345121433.db2.gz LAJJVMBIHSMRNZ-MRXNPFEDSA-N 1 2 271.364 2.344 20 30 CEEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)n(C)c1C ZINC000589735452 345096470 /nfs/dbraw/zinc/09/64/70/345096470.db2.gz AGEYFHVFCFNXMZ-INIZCTEOSA-N 1 2 289.379 2.246 20 30 CEEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)n(C)c1C ZINC000589735452 345096473 /nfs/dbraw/zinc/09/64/73/345096473.db2.gz AGEYFHVFCFNXMZ-INIZCTEOSA-N 1 2 289.379 2.246 20 30 CEEDLO Cc1cnc([C@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)cn1 ZINC000589988382 345107821 /nfs/dbraw/zinc/10/78/21/345107821.db2.gz ADVGONOKNGSHKY-GOEBONIOSA-N 1 2 287.411 2.012 20 30 CEEDLO COCC[N@H+](CCC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000590698238 345163240 /nfs/dbraw/zinc/16/32/40/345163240.db2.gz XHSSTLIXIWGKAY-GDBMZVCRSA-N 1 2 276.380 2.013 20 30 CEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000590698238 345163242 /nfs/dbraw/zinc/16/32/42/345163242.db2.gz XHSSTLIXIWGKAY-GDBMZVCRSA-N 1 2 276.380 2.013 20 30 CEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590727690 345169514 /nfs/dbraw/zinc/16/95/14/345169514.db2.gz MZQDTSFNFKQEGF-KGLIPLIRSA-N 1 2 277.368 2.028 20 30 CEEDLO C[C@@H](c1ccc(C#N)cc1)N1CCn2c[nH+]cc2C1 ZINC000590600259 345150255 /nfs/dbraw/zinc/15/02/55/345150255.db2.gz SUNDXMLUQAUQLE-LBPRGKRZSA-N 1 2 252.321 2.332 20 30 CEEDLO N#C[C@@]1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CC12CCCC2 ZINC000590629571 345153540 /nfs/dbraw/zinc/15/35/40/345153540.db2.gz KHEPNJVJZXIYKK-QGZVFWFLSA-N 1 2 297.358 2.145 20 30 CEEDLO C[C@@H]1COCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590954875 345204762 /nfs/dbraw/zinc/20/47/62/345204762.db2.gz AQYOINKKLUNDRR-LLVKDONJSA-N 1 2 275.308 2.077 20 30 CEEDLO C[C@@H]1COCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590954875 345204764 /nfs/dbraw/zinc/20/47/64/345204764.db2.gz AQYOINKKLUNDRR-LLVKDONJSA-N 1 2 275.308 2.077 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC12CCOCC2 ZINC000590957508 345204947 /nfs/dbraw/zinc/20/49/47/345204947.db2.gz FZDCOAPQIBDQPQ-UHFFFAOYSA-N 1 2 287.319 2.221 20 30 CEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC12CCOCC2 ZINC000590957508 345204950 /nfs/dbraw/zinc/20/49/50/345204950.db2.gz FZDCOAPQIBDQPQ-UHFFFAOYSA-N 1 2 287.319 2.221 20 30 CEEDLO COC[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592095725 345321259 /nfs/dbraw/zinc/32/12/59/345321259.db2.gz YMEPCIKFMXWJCN-INIZCTEOSA-N 1 2 267.332 2.431 20 30 CEEDLO N#CCC[C@@H](C#N)C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000591766004 345279208 /nfs/dbraw/zinc/27/92/08/345279208.db2.gz ZTDCPJWDYKXESF-ZDUSSCGKSA-N 1 2 267.336 2.139 20 30 CEEDLO Cc1cc(NCC2(c3ccccn3)CC2)c(C#N)c[nH+]1 ZINC000591823817 345285195 /nfs/dbraw/zinc/28/51/95/345285195.db2.gz XRDCDFZGYYWGHW-UHFFFAOYSA-N 1 2 264.332 2.222 20 30 CEEDLO CO[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000591844728 345287679 /nfs/dbraw/zinc/28/76/79/345287679.db2.gz OTPOYNTWAPVQLF-QZTJIDSGSA-N 1 2 299.418 2.121 20 30 CEEDLO CO[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1 ZINC000591844728 345287681 /nfs/dbraw/zinc/28/76/81/345287681.db2.gz OTPOYNTWAPVQLF-QZTJIDSGSA-N 1 2 299.418 2.121 20 30 CEEDLO N#Cc1cnccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000592121059 345324902 /nfs/dbraw/zinc/32/49/02/345324902.db2.gz CPFFSGANWDNENE-CYBMUJFWSA-N 1 2 299.296 2.233 20 30 CEEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000592121059 345324904 /nfs/dbraw/zinc/32/49/04/345324904.db2.gz CPFFSGANWDNENE-CYBMUJFWSA-N 1 2 299.296 2.233 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000592152316 345330957 /nfs/dbraw/zinc/33/09/57/345330957.db2.gz XLCYKQKDGYQHKC-AWEZNQCLSA-N 1 2 275.739 2.062 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000592152316 345330959 /nfs/dbraw/zinc/33/09/59/345330959.db2.gz XLCYKQKDGYQHKC-AWEZNQCLSA-N 1 2 275.739 2.062 20 30 CEEDLO CCC[C@@H](CC(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153656 345447680 /nfs/dbraw/zinc/44/76/80/345447680.db2.gz ZYEQIMCXNLHHRG-DZGCQCFKSA-N 1 2 267.417 2.409 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(Cl)c1F ZINC000593154237 345447790 /nfs/dbraw/zinc/44/77/90/345447790.db2.gz BHTBFLPKOJVETC-ZDUSSCGKSA-N 1 2 283.734 2.053 20 30 CEEDLO C[C@@H](CC(=O)NCC1(C#N)CCCC1)n1cc[nH+]c1 ZINC000593772726 345535087 /nfs/dbraw/zinc/53/50/87/345535087.db2.gz YRIFLYGIAKHENV-LBPRGKRZSA-N 1 2 260.341 2.034 20 30 CEEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000594009504 345565442 /nfs/dbraw/zinc/56/54/42/345565442.db2.gz YIWDEJXMXFHWCA-LLVKDONJSA-N 1 2 275.381 2.325 20 30 CEEDLO COCc1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594033389 345569817 /nfs/dbraw/zinc/56/98/17/345569817.db2.gz OPDYEVRJRDOKFV-UHFFFAOYSA-N 1 2 298.346 2.257 20 30 CEEDLO COC(=O)c1coc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593653237 345517323 /nfs/dbraw/zinc/51/73/23/345517323.db2.gz GICBRJSOYDKXDF-UHFFFAOYSA-N 1 2 262.309 2.240 20 30 CEEDLO Cc1cc(NC[C@@H](C)C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000594603945 345658072 /nfs/dbraw/zinc/65/80/72/345658072.db2.gz PLEVPWAOODGGTG-SNVBAGLBSA-N 1 2 275.352 2.073 20 30 CEEDLO Cc1cc(N[C@H](C2CC2)[C@@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000594590317 345653018 /nfs/dbraw/zinc/65/30/18/345653018.db2.gz KMIBWYROKKYDBY-JKSUJKDBSA-N 1 2 271.364 2.443 20 30 CEEDLO N#CC1(CC(=O)Nc2ccc(N)[nH+]c2)CCCCC1 ZINC000595254255 345748948 /nfs/dbraw/zinc/74/89/48/345748948.db2.gz NZYRGYBNJDCMDI-UHFFFAOYSA-N 1 2 258.325 2.297 20 30 CEEDLO N#CC[C@]1(O)CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000595564497 345814551 /nfs/dbraw/zinc/81/45/51/345814551.db2.gz ZTOJOMCCYOHRCG-AWEZNQCLSA-N 1 2 273.361 2.147 20 30 CEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000595564497 345814553 /nfs/dbraw/zinc/81/45/53/345814553.db2.gz ZTOJOMCCYOHRCG-AWEZNQCLSA-N 1 2 273.361 2.147 20 30 CEEDLO COC(=O)C12CC(C1)C[N@@H+]2CCC1(C#N)CCCCC1 ZINC000595680867 345847437 /nfs/dbraw/zinc/84/74/37/345847437.db2.gz ZJEZQSPPRYGDRR-UHFFFAOYSA-N 1 2 276.380 2.488 20 30 CEEDLO COC(=O)C12CC(C1)C[N@H+]2CCC1(C#N)CCCCC1 ZINC000595680867 345847439 /nfs/dbraw/zinc/84/74/39/345847439.db2.gz ZJEZQSPPRYGDRR-UHFFFAOYSA-N 1 2 276.380 2.488 20 30 CEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614742 345828307 /nfs/dbraw/zinc/82/83/07/345828307.db2.gz NHNAUWRTOPAYGG-ZIAGYGMSSA-N 1 2 296.378 2.349 20 30 CEEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614742 345828309 /nfs/dbraw/zinc/82/83/09/345828309.db2.gz NHNAUWRTOPAYGG-ZIAGYGMSSA-N 1 2 296.378 2.349 20 30 CEEDLO C=CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)COC ZINC000595645611 345836926 /nfs/dbraw/zinc/83/69/26/345836926.db2.gz GGOIQBUSTXLBHU-ZDUSSCGKSA-N 1 2 287.363 2.020 20 30 CEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)COC ZINC000595645611 345836927 /nfs/dbraw/zinc/83/69/27/345836927.db2.gz GGOIQBUSTXLBHU-ZDUSSCGKSA-N 1 2 287.363 2.020 20 30 CEEDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834128 345891455 /nfs/dbraw/zinc/89/14/55/345891455.db2.gz JWBCCZKOFGCJDF-MFQJDOPTSA-N 1 2 277.412 2.305 20 30 CEEDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834128 345891458 /nfs/dbraw/zinc/89/14/58/345891458.db2.gz JWBCCZKOFGCJDF-MFQJDOPTSA-N 1 2 277.412 2.305 20 30 CEEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835521 345892079 /nfs/dbraw/zinc/89/20/79/345892079.db2.gz SAXMLBLDFHKFIK-MRXNPFEDSA-N 1 2 289.354 2.020 20 30 CEEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835521 345892084 /nfs/dbraw/zinc/89/20/84/345892084.db2.gz SAXMLBLDFHKFIK-MRXNPFEDSA-N 1 2 289.354 2.020 20 30 CEEDLO Cc1cccc2[nH+]c(CN3CC[C@@](C)(C#N)C3)cn21 ZINC000595838342 345893622 /nfs/dbraw/zinc/89/36/22/345893622.db2.gz ANNHIRBRIGKILV-HNNXBMFYSA-N 1 2 254.337 2.378 20 30 CEEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1nnc2n1CCCCC2 ZINC000595798348 345877985 /nfs/dbraw/zinc/87/79/85/345877985.db2.gz CNMLYAGCKLZVCZ-GFCCVEGCSA-N 1 2 273.384 2.349 20 30 CEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821985 345886272 /nfs/dbraw/zinc/88/62/72/345886272.db2.gz KTHNJPAWXRIJQK-CYBMUJFWSA-N 1 2 273.380 2.321 20 30 CEEDLO N#CCC[C@H](C#N)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821985 345886277 /nfs/dbraw/zinc/88/62/77/345886277.db2.gz KTHNJPAWXRIJQK-CYBMUJFWSA-N 1 2 273.380 2.321 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821986 345886691 /nfs/dbraw/zinc/88/66/91/345886691.db2.gz KTHNJPAWXRIJQK-ZDUSSCGKSA-N 1 2 273.380 2.321 20 30 CEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821986 345886694 /nfs/dbraw/zinc/88/66/94/345886694.db2.gz KTHNJPAWXRIJQK-ZDUSSCGKSA-N 1 2 273.380 2.321 20 30 CEEDLO COc1ccc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cc1C#N ZINC000595920035 345913399 /nfs/dbraw/zinc/91/33/99/345913399.db2.gz YZJXMADUEUWZBW-OAHLLOKOSA-N 1 2 296.317 2.423 20 30 CEEDLO COc1ccc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)cc1C#N ZINC000595920035 345913400 /nfs/dbraw/zinc/91/34/00/345913400.db2.gz YZJXMADUEUWZBW-OAHLLOKOSA-N 1 2 296.317 2.423 20 30 CEEDLO Cc1cc[nH+]cc1N1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596219447 345972697 /nfs/dbraw/zinc/97/26/97/345972697.db2.gz ALUTWTBSDBPNOR-UHFFFAOYSA-N 1 2 293.374 2.292 20 30 CEEDLO Cc1ccc[nH+]c1CCNc1nc(C#N)c(Cl)s1 ZINC000596255837 345982240 /nfs/dbraw/zinc/98/22/40/345982240.db2.gz YUEYQJWJXGPIQV-UHFFFAOYSA-N 1 2 278.768 2.448 20 30 CEEDLO Cc1cc(NC[C@H](O)[C@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000596548571 346052105 /nfs/dbraw/zinc/05/21/05/346052105.db2.gz SYAKTUVIHILADD-DYVFJYSZSA-N 1 2 281.359 2.260 20 30 CEEDLO Cc1cc(N[C@H]2CCN(C3CCCCC3)C2=O)c(C#N)c[nH+]1 ZINC000596563006 346055523 /nfs/dbraw/zinc/05/55/23/346055523.db2.gz UTGRESDQKAPXTG-HNNXBMFYSA-N 1 2 298.390 2.029 20 30 CEEDLO Cc1cc(N2CCC[C@@](O)(C3CC3)C2)c(C#N)c[nH+]1 ZINC000596462528 346029260 /nfs/dbraw/zinc/02/92/60/346029260.db2.gz KYKVZGVAOJNEQN-HNNXBMFYSA-N 1 2 257.337 2.003 20 30 CEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)CC#N ZINC000596667933 346075332 /nfs/dbraw/zinc/07/53/32/346075332.db2.gz JENBPDNRXLNPDP-LLVKDONJSA-N 1 2 270.336 2.011 20 30 CEEDLO C[C@H](CC#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000596696031 346076752 /nfs/dbraw/zinc/07/67/52/346076752.db2.gz ABMDXRBWAAKEAE-OCCSQVGLSA-N 1 2 282.347 2.175 20 30 CEEDLO N#CC[C@@H]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000596886827 346101462 /nfs/dbraw/zinc/10/14/62/346101462.db2.gz RIOOAJSIIFODBI-LBPRGKRZSA-N 1 2 283.335 2.492 20 30 CEEDLO CN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000596931142 346107683 /nfs/dbraw/zinc/10/76/83/346107683.db2.gz MPHLSDBRXHIALM-LBPRGKRZSA-N 1 2 280.331 2.049 20 30 CEEDLO CN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C#N)c1 ZINC000596931142 346107687 /nfs/dbraw/zinc/10/76/87/346107687.db2.gz MPHLSDBRXHIALM-LBPRGKRZSA-N 1 2 280.331 2.049 20 30 CEEDLO N#CC1(c2ccc(C[N@@H+]3CCN(C4CC4)C(=O)C3)cc2)CC1 ZINC000597007565 346114610 /nfs/dbraw/zinc/11/46/10/346114610.db2.gz DXSRQEZFMCHBRH-UHFFFAOYSA-N 1 2 295.386 2.048 20 30 CEEDLO N#CC1(c2ccc(C[N@H+]3CCN(C4CC4)C(=O)C3)cc2)CC1 ZINC000597007565 346114614 /nfs/dbraw/zinc/11/46/14/346114614.db2.gz DXSRQEZFMCHBRH-UHFFFAOYSA-N 1 2 295.386 2.048 20 30 CEEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597111889 346129412 /nfs/dbraw/zinc/12/94/12/346129412.db2.gz VQLARCNLVVLPHA-HNNXBMFYSA-N 1 2 284.359 2.283 20 30 CEEDLO N#CCC1CN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000597194023 346145477 /nfs/dbraw/zinc/14/54/77/346145477.db2.gz MNFTZFGBTWOCSO-UHFFFAOYSA-N 1 2 266.348 2.277 20 30 CEEDLO COc1ccccc1-c1ncc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597203596 346148208 /nfs/dbraw/zinc/14/82/08/346148208.db2.gz LZBDVTCAHQMCPL-UHFFFAOYSA-N 1 2 294.358 2.498 20 30 CEEDLO Cn1nc(C[N@@H+]2CC[C@@](C)(C#N)C2)c2ccccc21 ZINC000597229938 346155294 /nfs/dbraw/zinc/15/52/94/346155294.db2.gz OBFKCYYYQJNXGJ-HNNXBMFYSA-N 1 2 254.337 2.309 20 30 CEEDLO Cn1nc(C[N@H+]2CC[C@@](C)(C#N)C2)c2ccccc21 ZINC000597229938 346155297 /nfs/dbraw/zinc/15/52/97/346155297.db2.gz OBFKCYYYQJNXGJ-HNNXBMFYSA-N 1 2 254.337 2.309 20 30 CEEDLO COc1cc2c(cc1C[N@@H+]1CC[C@@](C)(C#N)C1)OCO2 ZINC000597231640 346155722 /nfs/dbraw/zinc/15/57/22/346155722.db2.gz OCPJEFLIRVTWEV-HNNXBMFYSA-N 1 2 274.320 2.159 20 30 CEEDLO COc1cc2c(cc1C[N@H+]1CC[C@@](C)(C#N)C1)OCO2 ZINC000597231640 346155723 /nfs/dbraw/zinc/15/57/23/346155723.db2.gz OCPJEFLIRVTWEV-HNNXBMFYSA-N 1 2 274.320 2.159 20 30 CEEDLO N#CC1(CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000597413891 346183548 /nfs/dbraw/zinc/18/35/48/346183548.db2.gz SLWAJQBRLNEGFK-LBPRGKRZSA-N 1 2 286.379 2.247 20 30 CEEDLO N#CC1(CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000597413891 346183551 /nfs/dbraw/zinc/18/35/51/346183551.db2.gz SLWAJQBRLNEGFK-LBPRGKRZSA-N 1 2 286.379 2.247 20 30 CEEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465357 346360958 /nfs/dbraw/zinc/36/09/58/346360958.db2.gz QNXUJOPUJDHECQ-NSHDSACASA-N 1 2 268.320 2.091 20 30 CEEDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccnc(C#N)n3)C2)c1 ZINC000599097275 346459909 /nfs/dbraw/zinc/45/99/09/346459909.db2.gz AEZWCKNFHTUQJW-GFCCVEGCSA-N 1 2 265.320 2.046 20 30 CEEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000599159729 346470187 /nfs/dbraw/zinc/47/01/87/346470187.db2.gz CQUBVQXKQSVASH-LBPRGKRZSA-N 1 2 299.296 2.320 20 30 CEEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000599159729 346470189 /nfs/dbraw/zinc/47/01/89/346470189.db2.gz CQUBVQXKQSVASH-LBPRGKRZSA-N 1 2 299.296 2.320 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000599423446 346516436 /nfs/dbraw/zinc/51/64/36/346516436.db2.gz XQTSQLWLSIQPJQ-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000599423446 346516439 /nfs/dbraw/zinc/51/64/39/346516439.db2.gz XQTSQLWLSIQPJQ-UHFFFAOYSA-N 1 2 252.321 2.148 20 30 CEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000602613404 347102431 /nfs/dbraw/zinc/10/24/31/347102431.db2.gz ZIIHQSGKYDTZDA-CHWSQXEVSA-N 1 2 296.411 2.405 20 30 CEEDLO C=CCOCC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599557088 346537536 /nfs/dbraw/zinc/53/75/36/346537536.db2.gz WZRNPYCZWDGUOU-OAHLLOKOSA-N 1 2 269.385 2.291 20 30 CEEDLO COCCN(C)c1ccc(-c2ccc(O)c(C#N)c2)c[nH+]1 ZINC000600780145 346689293 /nfs/dbraw/zinc/68/92/93/346689293.db2.gz NKXGXDMDXXEPBX-UHFFFAOYSA-N 1 2 283.331 2.408 20 30 CEEDLO N#CCC1(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000601159594 346772907 /nfs/dbraw/zinc/77/29/07/346772907.db2.gz MOANQJZAUURBPU-UHFFFAOYSA-N 1 2 267.336 2.363 20 30 CEEDLO C[C@H](CC#N)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601038449 346737569 /nfs/dbraw/zinc/73/75/69/346737569.db2.gz PFTXWHWVAKVTDG-CYBMUJFWSA-N 1 2 282.347 2.175 20 30 CEEDLO N#CC1(C[NH2+]Cc2ccncc2Br)CC1 ZINC000602644044 347119657 /nfs/dbraw/zinc/11/96/57/347119657.db2.gz UKERBMJVXINEOT-UHFFFAOYSA-N 1 2 266.142 2.237 20 30 CEEDLO Cc1nnsc1C[NH2+]CC1(C#N)CCCCC1 ZINC000602719736 347169059 /nfs/dbraw/zinc/16/90/59/347169059.db2.gz SFBPZHCPUMZWAV-UHFFFAOYSA-N 1 2 250.371 2.410 20 30 CEEDLO CCOC(=O)c1cc(C[NH2+]CC2(C#N)CCCCC2)on1 ZINC000602719003 347169286 /nfs/dbraw/zinc/16/92/86/347169286.db2.gz NBWJSPQSKXGCGQ-UHFFFAOYSA-N 1 2 291.351 2.415 20 30 CEEDLO CO[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CCOCC1 ZINC000602704180 347159195 /nfs/dbraw/zinc/15/91/95/347159195.db2.gz GHXYNGPOJTWSKK-KRWDZBQOSA-N 1 2 286.375 2.315 20 30 CEEDLO CO[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CCOCC1 ZINC000602704180 347159200 /nfs/dbraw/zinc/15/92/00/347159200.db2.gz GHXYNGPOJTWSKK-KRWDZBQOSA-N 1 2 286.375 2.315 20 30 CEEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C2(CCC2)CO1 ZINC000602713577 347165705 /nfs/dbraw/zinc/16/57/05/347165705.db2.gz WARNFKQKMZBVIP-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C2(CCC2)CO1 ZINC000602713577 347165707 /nfs/dbraw/zinc/16/57/07/347165707.db2.gz WARNFKQKMZBVIP-LBPRGKRZSA-N 1 2 257.337 2.097 20 30 CEEDLO CC(C)N1C(=O)C[N@H+](CC2(CC#N)CC2)CC1(C)C ZINC000602780316 347195098 /nfs/dbraw/zinc/19/50/98/347195098.db2.gz IELRYCHRRWELMQ-UHFFFAOYSA-N 1 2 263.385 2.011 20 30 CEEDLO CC(C)N1C(=O)C[N@@H+](CC2(CC#N)CC2)CC1(C)C ZINC000602780316 347195100 /nfs/dbraw/zinc/19/51/00/347195100.db2.gz IELRYCHRRWELMQ-UHFFFAOYSA-N 1 2 263.385 2.011 20 30 CEEDLO C[C@H]1OCC[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000602779811 347195259 /nfs/dbraw/zinc/19/52/59/347195259.db2.gz RZOUDXKXHYCSBG-KGLIPLIRSA-N 1 2 259.353 2.222 20 30 CEEDLO C[C@H]1OCC[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000602779811 347195260 /nfs/dbraw/zinc/19/52/60/347195260.db2.gz RZOUDXKXHYCSBG-KGLIPLIRSA-N 1 2 259.353 2.222 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000064635351 362790774 /nfs/dbraw/zinc/79/07/74/362790774.db2.gz XUDJUWXSFNZJOZ-UHFFFAOYSA-N 1 2 264.291 2.071 20 30 CEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000064635351 362790785 /nfs/dbraw/zinc/79/07/85/362790785.db2.gz XUDJUWXSFNZJOZ-UHFFFAOYSA-N 1 2 264.291 2.071 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000602860289 347228056 /nfs/dbraw/zinc/22/80/56/347228056.db2.gz CKPLARHHDQBQMB-MNOVXSKESA-N 1 2 279.771 2.236 20 30 CEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000602860991 347228759 /nfs/dbraw/zinc/22/87/59/347228759.db2.gz FBEGGJALTZTLJA-MROQNXINSA-N 1 2 251.374 2.056 20 30 CEEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)CC#N)c1C ZINC000602861964 347229305 /nfs/dbraw/zinc/22/93/05/347229305.db2.gz JTXLNOQRPILKOA-CQSZACIVSA-N 1 2 298.390 2.442 20 30 CEEDLO C[C@H](CC#N)[NH2+]Cc1ccn(-c2cccc(F)c2)n1 ZINC000602861740 347229376 /nfs/dbraw/zinc/22/93/76/347229376.db2.gz IIMGOTMJUQTRAZ-LLVKDONJSA-N 1 2 258.300 2.403 20 30 CEEDLO N#CCC1(C[N@H+]2CCOc3ccc(O)cc3C2)CC1 ZINC000602903189 347242930 /nfs/dbraw/zinc/24/29/30/347242930.db2.gz MDRHFSQWLSNTKO-UHFFFAOYSA-N 1 2 258.321 2.280 20 30 CEEDLO N#CCC1(C[N@@H+]2CCOc3ccc(O)cc3C2)CC1 ZINC000602903189 347242932 /nfs/dbraw/zinc/24/29/32/347242932.db2.gz MDRHFSQWLSNTKO-UHFFFAOYSA-N 1 2 258.321 2.280 20 30 CEEDLO C=CCCC[NH2+][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000602950485 347254880 /nfs/dbraw/zinc/25/48/80/347254880.db2.gz KIHFUPLYHHJBKO-OAHLLOKOSA-N 1 2 277.364 2.335 20 30 CEEDLO C[N@H+](CC(=O)N1CCCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602973494 347259851 /nfs/dbraw/zinc/25/98/51/347259851.db2.gz AVGSWZHLGAMVKO-UONOGXRCSA-N 1 2 263.385 2.013 20 30 CEEDLO C[N@@H+](CC(=O)N1CCCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602973494 347259854 /nfs/dbraw/zinc/25/98/54/347259854.db2.gz AVGSWZHLGAMVKO-UONOGXRCSA-N 1 2 263.385 2.013 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974660 347260839 /nfs/dbraw/zinc/26/08/39/347260839.db2.gz RPRPBFRJTPXQMM-HOTGVXAUSA-N 1 2 285.391 2.269 20 30 CEEDLO CN(Cc1ccccc1)C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602974660 347260842 /nfs/dbraw/zinc/26/08/42/347260842.db2.gz RPRPBFRJTPXQMM-HOTGVXAUSA-N 1 2 285.391 2.269 20 30 CEEDLO CN(C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000602974663 347260981 /nfs/dbraw/zinc/26/09/81/347260981.db2.gz RQGXVTLYNMKWER-DZGCQCFKSA-N 1 2 277.412 2.402 20 30 CEEDLO CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000602974663 347260984 /nfs/dbraw/zinc/26/09/84/347260984.db2.gz RQGXVTLYNMKWER-DZGCQCFKSA-N 1 2 277.412 2.402 20 30 CEEDLO C[N@H+](CC(=O)NC1CCCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602974930 347261167 /nfs/dbraw/zinc/26/11/67/347261167.db2.gz VYNJMMDTJFMEEJ-HIFRSBDPSA-N 1 2 277.412 2.449 20 30 CEEDLO C[N@@H+](CC(=O)NC1CCCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602974930 347261170 /nfs/dbraw/zinc/26/11/70/347261170.db2.gz VYNJMMDTJFMEEJ-HIFRSBDPSA-N 1 2 277.412 2.449 20 30 CEEDLO CN(Cc1cn2ccccc2[nH+]1)[C@@H]1CCC[C@@H]1C#N ZINC000602976911 347261997 /nfs/dbraw/zinc/26/19/97/347261997.db2.gz VHAHIWLXTUZICZ-TZMCWYRMSA-N 1 2 254.337 2.458 20 30 CEEDLO CC1CC(n2nnc3c2C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC3)C1 ZINC000602986837 347267591 /nfs/dbraw/zinc/26/75/91/347267591.db2.gz QWNYLYVSGOYSCX-DKNRTOFZSA-N 1 2 285.395 2.299 20 30 CEEDLO CC1CC(n2nnc3c2C[N@H+]([C@H]2CC[C@@H](C#N)C2)CC3)C1 ZINC000602986837 347267596 /nfs/dbraw/zinc/26/75/96/347267596.db2.gz QWNYLYVSGOYSCX-DKNRTOFZSA-N 1 2 285.395 2.299 20 30 CEEDLO CC(C)(C#N)CCCn1cc[nH+]c1CN1CCOCC1 ZINC000603421709 347366435 /nfs/dbraw/zinc/36/64/35/347366435.db2.gz ZDHFNUAIIPZLDE-UHFFFAOYSA-N 1 2 276.384 2.045 20 30 CEEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC1 ZINC000129741406 365890710 /nfs/dbraw/zinc/89/07/10/365890710.db2.gz PRGHJKJYXRCFGH-UHFFFAOYSA-N 1 2 298.390 2.382 20 30 CEEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000609161546 347629229 /nfs/dbraw/zinc/62/92/29/347629229.db2.gz UFVDFFYDAHIQCH-CQSZACIVSA-N 1 2 286.310 2.183 20 30 CEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000609486321 347640184 /nfs/dbraw/zinc/64/01/84/347640184.db2.gz IGEFAJSIGKNDPU-QGZVFWFLSA-N 1 2 282.391 2.224 20 30 CEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Cl)o2)C(N)=O)cc1 ZINC000609675840 347648847 /nfs/dbraw/zinc/64/88/47/347648847.db2.gz RLPNQQGPNJMPCT-CYBMUJFWSA-N 1 2 289.722 2.121 20 30 CEEDLO COCCN(CCC#N)Cc1cn2cccc(C)c2[nH+]1 ZINC000610392054 347677778 /nfs/dbraw/zinc/67/77/78/347677778.db2.gz DLZARCDLZRCXRP-UHFFFAOYSA-N 1 2 272.352 2.005 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccn1 ZINC000611463475 347782291 /nfs/dbraw/zinc/78/22/91/347782291.db2.gz BDDLFFBUMAMXET-SFHVURJKSA-N 1 2 293.370 2.397 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccn1 ZINC000611463475 347782295 /nfs/dbraw/zinc/78/22/95/347782295.db2.gz BDDLFFBUMAMXET-SFHVURJKSA-N 1 2 293.370 2.397 20 30 CEEDLO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1F ZINC000611502342 347786010 /nfs/dbraw/zinc/78/60/10/347786010.db2.gz RLXJPTAQXGQRTG-QWHCGFSZSA-N 1 2 281.375 2.009 20 30 CEEDLO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1F ZINC000611502342 347786011 /nfs/dbraw/zinc/78/60/11/347786011.db2.gz RLXJPTAQXGQRTG-QWHCGFSZSA-N 1 2 281.375 2.009 20 30 CEEDLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162625 347851992 /nfs/dbraw/zinc/85/19/92/347851992.db2.gz PTOUBSVLRIRGHH-ZFWWWQNUSA-N 1 2 265.401 2.163 20 30 CEEDLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162625 347851995 /nfs/dbraw/zinc/85/19/95/347851995.db2.gz PTOUBSVLRIRGHH-ZFWWWQNUSA-N 1 2 265.401 2.163 20 30 CEEDLO CCC#C[C@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612469118 347890871 /nfs/dbraw/zinc/89/08/71/347890871.db2.gz VTUYGHPSOIILGU-NSHDSACASA-N 1 2 259.309 2.150 20 30 CEEDLO CCC#C[C@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612469118 347890873 /nfs/dbraw/zinc/89/08/73/347890873.db2.gz VTUYGHPSOIILGU-NSHDSACASA-N 1 2 259.309 2.150 20 30 CEEDLO C=C(C)CN(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000615910326 348411588 /nfs/dbraw/zinc/41/15/88/348411588.db2.gz VKSFOBBSMMWYGD-UHFFFAOYSA-N 1 2 264.373 2.271 20 30 CEEDLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(C#N)c1 ZINC000615766968 348389582 /nfs/dbraw/zinc/38/95/82/348389582.db2.gz KDIHVUBJRHHLED-IUODEOHRSA-N 1 2 294.358 2.195 20 30 CEEDLO C=C[C@@H]([NH2+][C@H](C)CCc1ccc(OC)cc1)C(=O)OC ZINC000619700609 349221123 /nfs/dbraw/zinc/22/11/23/349221123.db2.gz DKJGGFBDJLYQNL-IUODEOHRSA-N 1 2 277.364 2.334 20 30 CEEDLO C=C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)C(=O)OC ZINC000619702232 349222448 /nfs/dbraw/zinc/22/24/48/349222448.db2.gz ABMLLMDQJFPBIB-AWEZNQCLSA-N 1 2 290.338 2.177 20 30 CEEDLO C=C[C@H]([NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC)C(=O)OC ZINC000619703000 349223311 /nfs/dbraw/zinc/22/33/11/349223311.db2.gz CITAFCUBMHRMBH-XQHKEYJVSA-N 1 2 269.385 2.143 20 30 CEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000619718404 349227151 /nfs/dbraw/zinc/22/71/51/349227151.db2.gz LKYBXJPPPQXHJN-INIZCTEOSA-N 1 2 288.391 2.315 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000619720586 349229013 /nfs/dbraw/zinc/22/90/13/349229013.db2.gz SWTSXMDGTAUAKN-ZFWWWQNUSA-N 1 2 275.348 2.115 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000619720586 349229016 /nfs/dbraw/zinc/22/90/16/349229016.db2.gz SWTSXMDGTAUAKN-ZFWWWQNUSA-N 1 2 275.348 2.115 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000619722306 349229573 /nfs/dbraw/zinc/22/95/73/349229573.db2.gz KDLSEQYLVPSZSP-FHIRATQRSA-N 1 2 293.407 2.384 20 30 CEEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000619722306 349229575 /nfs/dbraw/zinc/22/95/75/349229575.db2.gz KDLSEQYLVPSZSP-FHIRATQRSA-N 1 2 293.407 2.384 20 30 CEEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CC2(C#N)CC2)c1 ZINC000619723449 349229579 /nfs/dbraw/zinc/22/95/79/349229579.db2.gz ZQRBTQQFNRPUGZ-HIFRSBDPSA-N 1 2 272.348 2.107 20 30 CEEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CC2(C#N)CC2)c1 ZINC000619723449 349229581 /nfs/dbraw/zinc/22/95/81/349229581.db2.gz ZQRBTQQFNRPUGZ-HIFRSBDPSA-N 1 2 272.348 2.107 20 30 CEEDLO Cc1[nH]c(C(=O)NCc2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC000619774859 349234471 /nfs/dbraw/zinc/23/44/71/349234471.db2.gz ALPUCBTVZGVKGC-UHFFFAOYSA-N 1 2 274.711 2.173 20 30 CEEDLO C=CCCOCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620648441 349414285 /nfs/dbraw/zinc/41/42/85/349414285.db2.gz ATZJJRIWKBVCEU-UHFFFAOYSA-N 1 2 259.309 2.174 20 30 CEEDLO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(C#N)o1 ZINC000091901870 180283295 /nfs/dbraw/zinc/28/32/95/180283295.db2.gz RSHFWYMOMBRCMD-UHFFFAOYSA-N 1 2 269.304 2.222 20 30 CEEDLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(C#N)o1 ZINC000091901870 180283298 /nfs/dbraw/zinc/28/32/98/180283298.db2.gz RSHFWYMOMBRCMD-UHFFFAOYSA-N 1 2 269.304 2.222 20 30 CEEDLO CO[C@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000092097278 180324145 /nfs/dbraw/zinc/32/41/45/180324145.db2.gz PPTCFDVWKJULBC-CFVMTHIKSA-N 1 2 292.404 2.388 20 30 CEEDLO CO[C@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000092097278 180324147 /nfs/dbraw/zinc/32/41/47/180324147.db2.gz PPTCFDVWKJULBC-CFVMTHIKSA-N 1 2 292.404 2.388 20 30 CEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc[nH+]cc1O ZINC000109891327 186279060 /nfs/dbraw/zinc/27/90/60/186279060.db2.gz LKGSMQMOENSAJJ-JTQLQIEISA-N 1 2 283.287 2.065 20 30 CEEDLO CCC[C@@](C)([NH2+]CCOc1cccc(C#N)c1)C(=O)OC ZINC000109801448 186273563 /nfs/dbraw/zinc/27/35/63/186273563.db2.gz JGGVBIMHMLZILV-MRXNPFEDSA-N 1 2 290.363 2.258 20 30 CEEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000630677619 351820660 /nfs/dbraw/zinc/82/06/60/351820660.db2.gz WZTCORFNLAKJHI-UHFFFAOYSA-N 1 2 285.391 2.082 20 30 CEEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1F ZINC000122184702 187019690 /nfs/dbraw/zinc/01/96/90/187019690.db2.gz AXARHFHRBMXXAR-JKSUJKDBSA-N 1 2 290.338 2.077 20 30 CEEDLO N#Cc1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1F ZINC000122184702 187019691 /nfs/dbraw/zinc/01/96/91/187019691.db2.gz AXARHFHRBMXXAR-JKSUJKDBSA-N 1 2 290.338 2.077 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C3CCCCC3)C2)C1=O ZINC000337214406 366081823 /nfs/dbraw/zinc/08/18/23/366081823.db2.gz XLCDAUDFTOEUDP-HZPDHXFCSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](C3CCCCC3)C2)C1=O ZINC000337214406 366081828 /nfs/dbraw/zinc/08/18/28/366081828.db2.gz XLCDAUDFTOEUDP-HZPDHXFCSA-N 1 2 292.423 2.054 20 30 CEEDLO C=CC[N@H+](C[C@@H](C)O)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000337215924 366081927 /nfs/dbraw/zinc/08/19/27/366081927.db2.gz YWNHFWKVJCCJOF-ZBFHGGJFSA-N 1 2 291.391 2.030 20 30 CEEDLO C=CC[N@@H+](C[C@@H](C)O)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000337215924 366081932 /nfs/dbraw/zinc/08/19/32/366081932.db2.gz YWNHFWKVJCCJOF-ZBFHGGJFSA-N 1 2 291.391 2.030 20 30 CEEDLO C=C(C)C[C@H]1NC(=O)N(Cc2cn3c(cccc3C)[nH+]2)C1=O ZINC000630975093 351906896 /nfs/dbraw/zinc/90/68/96/351906896.db2.gz SQUJRZMNUIATPW-CYBMUJFWSA-N 1 2 298.346 2.029 20 30 CEEDLO CCCNC(=O)C[N@H+](CCC#N)CC(CC)CC ZINC000072692764 363158219 /nfs/dbraw/zinc/15/82/19/363158219.db2.gz PYIYXLDWONIRAI-UHFFFAOYSA-N 1 2 253.390 2.164 20 30 CEEDLO CCCNC(=O)C[N@@H+](CCC#N)CC(CC)CC ZINC000072692764 363158222 /nfs/dbraw/zinc/15/82/22/363158222.db2.gz PYIYXLDWONIRAI-UHFFFAOYSA-N 1 2 253.390 2.164 20 30 CEEDLO Cc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)oc1C ZINC000292121828 198171749 /nfs/dbraw/zinc/17/17/49/198171749.db2.gz IBMAZMJNZNEAKF-CQSZACIVSA-N 1 2 298.346 2.211 20 30 CEEDLO Cc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)oc1C ZINC000292121828 198171751 /nfs/dbraw/zinc/17/17/51/198171751.db2.gz IBMAZMJNZNEAKF-CQSZACIVSA-N 1 2 298.346 2.211 20 30 CEEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)cc1C#N ZINC000156812453 188282680 /nfs/dbraw/zinc/28/26/80/188282680.db2.gz CKCAMZYZTQGMLZ-CQSZACIVSA-N 1 2 297.362 2.032 20 30 CEEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)cc1C#N ZINC000156812453 188282682 /nfs/dbraw/zinc/28/26/82/188282682.db2.gz CKCAMZYZTQGMLZ-CQSZACIVSA-N 1 2 297.362 2.032 20 30 CEEDLO COc1cc(NC2CC[NH+](CCC#N)CC2)cc(OC)c1 ZINC000132406556 366141943 /nfs/dbraw/zinc/14/19/43/366141943.db2.gz AOKHDMBVPGBKEG-UHFFFAOYSA-N 1 2 289.379 2.494 20 30 CEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000159052730 283151474 /nfs/dbraw/zinc/15/14/74/283151474.db2.gz SCPDYZYGZZTSGP-UHFFFAOYSA-N 1 2 285.326 2.126 20 30 CEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000334391654 283193956 /nfs/dbraw/zinc/19/39/56/283193956.db2.gz VUOJHGJRBCYERC-HNNXBMFYSA-N 1 2 252.321 2.449 20 30 CEEDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000338367661 366322053 /nfs/dbraw/zinc/32/20/53/366322053.db2.gz VDAMSLZLHGUFRY-NSHDSACASA-N 1 2 282.347 2.467 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000570520406 299261929 /nfs/dbraw/zinc/26/19/29/299261929.db2.gz WSQKMHJFIGEFHG-SNVBAGLBSA-N 1 2 285.307 2.051 20 30 CEEDLO COC(=O)[C@](C)([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000578615244 366520208 /nfs/dbraw/zinc/52/02/08/366520208.db2.gz CGBQPWUORLQRNV-MRXNPFEDSA-N 1 2 272.348 2.298 20 30 CEEDLO CC[C@@H](NC(=O)c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000139665807 366557472 /nfs/dbraw/zinc/55/74/72/366557472.db2.gz WTGCJOKZSUWVMX-GFCCVEGCSA-N 1 2 254.293 2.162 20 30 CEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)c1cccc(C#N)c1 ZINC000579255824 366618705 /nfs/dbraw/zinc/61/87/05/366618705.db2.gz RCHVAOSRINSQON-LLVKDONJSA-N 1 2 268.320 2.123 20 30 CEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)c1cccc(C#N)c1 ZINC000579255824 366618706 /nfs/dbraw/zinc/61/87/06/366618706.db2.gz RCHVAOSRINSQON-LLVKDONJSA-N 1 2 268.320 2.123 20 30 CEEDLO C#CC[NH+](CC#C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000151227797 366632270 /nfs/dbraw/zinc/63/22/70/366632270.db2.gz SWESIKAMVABKSO-UHFFFAOYSA-N 1 2 282.265 2.091 20 30 CEEDLO N#Cc1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000179115591 189170408 /nfs/dbraw/zinc/17/04/08/189170408.db2.gz RNUIMCFWDUXHFA-UHFFFAOYSA-N 1 2 292.386 2.271 20 30 CEEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000179115591 189170409 /nfs/dbraw/zinc/17/04/09/189170409.db2.gz RNUIMCFWDUXHFA-UHFFFAOYSA-N 1 2 292.386 2.271 20 30 CEEDLO C=C(C)[C@H](CO)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000677047124 540975766 /nfs/dbraw/zinc/97/57/66/540975766.db2.gz TWOSZNKRQXDFEL-HNNXBMFYSA-N 1 2 280.799 2.399 20 30 CEEDLO COCC#CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000677132711 540983441 /nfs/dbraw/zinc/98/34/41/540983441.db2.gz NYUFUQQYYNVJSP-UHFFFAOYSA-N 1 2 292.810 2.107 20 30 CEEDLO COCC#CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000677132711 540983443 /nfs/dbraw/zinc/98/34/43/540983443.db2.gz NYUFUQQYYNVJSP-UHFFFAOYSA-N 1 2 292.810 2.107 20 30 CEEDLO COCC#CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000677819075 541046322 /nfs/dbraw/zinc/04/63/22/541046322.db2.gz QFGXSSVGNUQQKH-UHFFFAOYSA-N 1 2 299.374 2.196 20 30 CEEDLO COCC#CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000677819075 541046324 /nfs/dbraw/zinc/04/63/24/541046324.db2.gz QFGXSSVGNUQQKH-UHFFFAOYSA-N 1 2 299.374 2.196 20 30 CEEDLO C[C@@H](CC(=O)N(C)c1ccccc1C#N)n1cc[nH+]c1 ZINC000579964951 366731902 /nfs/dbraw/zinc/73/19/02/366731902.db2.gz ZNCZRAUFQHZQLB-LBPRGKRZSA-N 1 2 268.320 2.369 20 30 CEEDLO N#Cc1nccnc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301541136 201058097 /nfs/dbraw/zinc/05/80/97/201058097.db2.gz OAYVQIFRNAYCFC-UHFFFAOYSA-N 1 2 282.282 2.018 20 30 CEEDLO CN1CCC[C@@H]([NH2+]Cc2ncc(C#N)cn2)c2ccccc21 ZINC000581657313 366807547 /nfs/dbraw/zinc/80/75/47/366807547.db2.gz LWQSYQYTYLTFTG-OAHLLOKOSA-N 1 2 293.374 2.409 20 30 CEEDLO C=CCCC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155213744 366811138 /nfs/dbraw/zinc/81/11/38/366811138.db2.gz QZBXNFZCQHLEES-UHFFFAOYSA-N 1 2 275.352 2.131 20 30 CEEDLO CN(C)c1ncc(C[N@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000155403239 366817489 /nfs/dbraw/zinc/81/74/89/366817489.db2.gz LKGTXJLMCPZERL-UHFFFAOYSA-N 1 2 299.353 2.185 20 30 CEEDLO CN(C)c1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000155403239 366817493 /nfs/dbraw/zinc/81/74/93/366817493.db2.gz LKGTXJLMCPZERL-UHFFFAOYSA-N 1 2 299.353 2.185 20 30 CEEDLO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](C#N)CCC#N ZINC000025368831 361623808 /nfs/dbraw/zinc/62/38/08/361623808.db2.gz CEDHFVOKKRRUBR-ZDUSSCGKSA-N 1 2 271.320 2.291 20 30 CEEDLO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](C#N)CCC#N ZINC000025368831 361623815 /nfs/dbraw/zinc/62/38/15/361623815.db2.gz CEDHFVOKKRRUBR-ZDUSSCGKSA-N 1 2 271.320 2.291 20 30 CEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000678332660 541117436 /nfs/dbraw/zinc/11/74/36/541117436.db2.gz PPGCNFIGSKMXRX-OAHLLOKOSA-N 1 2 271.364 2.446 20 30 CEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000678332660 541117440 /nfs/dbraw/zinc/11/74/40/541117440.db2.gz PPGCNFIGSKMXRX-OAHLLOKOSA-N 1 2 271.364 2.446 20 30 CEEDLO CC#CC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679673925 541306995 /nfs/dbraw/zinc/30/69/95/541306995.db2.gz CZTJNJRYGKNXCH-ZDUSSCGKSA-N 1 2 271.282 2.435 20 30 CEEDLO CC#CC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679673925 541307000 /nfs/dbraw/zinc/30/70/00/541307000.db2.gz CZTJNJRYGKNXCH-ZDUSSCGKSA-N 1 2 271.282 2.435 20 30 CEEDLO CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@H](C)C#N ZINC000091982267 364072554 /nfs/dbraw/zinc/07/25/54/364072554.db2.gz BYMVPWSXLXGXIM-LLVKDONJSA-N 1 2 276.336 2.405 20 30 CEEDLO CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@H](C)C#N ZINC000091982267 364072557 /nfs/dbraw/zinc/07/25/57/364072557.db2.gz BYMVPWSXLXGXIM-LLVKDONJSA-N 1 2 276.336 2.405 20 30 CEEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc2c1OCCO2 ZINC000093090615 364140098 /nfs/dbraw/zinc/14/00/98/364140098.db2.gz PJHNJMCBOSVSPO-LLVKDONJSA-N 1 2 276.336 2.200 20 30 CEEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc2c1OCCO2 ZINC000093090615 364140100 /nfs/dbraw/zinc/14/01/00/364140100.db2.gz PJHNJMCBOSVSPO-LLVKDONJSA-N 1 2 276.336 2.200 20 30 CEEDLO Cc1cccc(C[N@H+](C)Cc2ccnc(C#N)c2)n1 ZINC000094915776 364308299 /nfs/dbraw/zinc/30/82/99/364308299.db2.gz HKIFBVSHEMUVOG-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO Cc1cccc(C[N@@H+](C)Cc2ccnc(C#N)c2)n1 ZINC000094915776 364308302 /nfs/dbraw/zinc/30/83/02/364308302.db2.gz HKIFBVSHEMUVOG-UHFFFAOYSA-N 1 2 252.321 2.289 20 30 CEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)c(OC)c1OC ZINC000097078766 364440742 /nfs/dbraw/zinc/44/07/42/364440742.db2.gz BLZPKRBTOLWLMT-LLVKDONJSA-N 1 2 278.352 2.446 20 30 CEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)c(OC)c1OC ZINC000097078766 364440744 /nfs/dbraw/zinc/44/07/44/364440744.db2.gz BLZPKRBTOLWLMT-LLVKDONJSA-N 1 2 278.352 2.446 20 30 CEEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000157581549 366845532 /nfs/dbraw/zinc/84/55/32/366845532.db2.gz RPUBSUKOIVZBAZ-UHFFFAOYSA-N 1 2 276.767 2.121 20 30 CEEDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000335164267 364563256 /nfs/dbraw/zinc/56/32/56/364563256.db2.gz WGXGSUGQRLRVFB-LBPRGKRZSA-N 1 2 265.316 2.426 20 30 CEEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)oc1C ZINC000104658364 364697949 /nfs/dbraw/zinc/69/79/49/364697949.db2.gz NMNNKLCYBJRAGS-UHFFFAOYSA-N 1 2 296.374 2.485 20 30 CEEDLO CN(CC#N)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112632732 364822508 /nfs/dbraw/zinc/82/25/08/364822508.db2.gz NFTGLFWXXJUVFN-UHFFFAOYSA-N 1 2 267.288 2.469 20 30 CEEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)c(O)co1 ZINC000112631151 364822877 /nfs/dbraw/zinc/82/28/77/364822877.db2.gz WBULKKWNMQSJPM-UHFFFAOYSA-N 1 2 287.290 2.120 20 30 CEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c(O)co1 ZINC000112631151 364822882 /nfs/dbraw/zinc/82/28/82/364822882.db2.gz WBULKKWNMQSJPM-UHFFFAOYSA-N 1 2 287.290 2.120 20 30 CEEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1C#N ZINC000335696172 364845791 /nfs/dbraw/zinc/84/57/91/364845791.db2.gz UKDBWZCQRNVZOG-KRWDZBQOSA-N 1 2 281.359 2.470 20 30 CEEDLO Cn1cc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1C#N ZINC000335696172 364845798 /nfs/dbraw/zinc/84/57/98/364845798.db2.gz UKDBWZCQRNVZOG-KRWDZBQOSA-N 1 2 281.359 2.470 20 30 CEEDLO C=CCCOCCCCC(=O)Nc1cc[nH+]cc1N(C)C ZINC000680321359 541390976 /nfs/dbraw/zinc/39/09/76/541390976.db2.gz IWHCMOHFYXDTHD-UHFFFAOYSA-N 1 2 291.395 2.271 20 30 CEEDLO C=C(C)[C@H](CO)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000680427067 541411508 /nfs/dbraw/zinc/41/15/08/541411508.db2.gz MTBVEKWWNIEZKF-OCCSQVGLSA-N 1 2 287.363 2.248 20 30 CEEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C#N)C(C)C)cc2n1C ZINC000335776286 364964496 /nfs/dbraw/zinc/96/44/96/364964496.db2.gz QTCRKWFSDREKID-ZDUSSCGKSA-N 1 2 270.336 2.160 20 30 CEEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000335911410 365152317 /nfs/dbraw/zinc/15/23/17/365152317.db2.gz ZNFCEAMQJSWHQY-UHFFFAOYSA-N 1 2 289.726 2.267 20 30 CEEDLO CCC[N@H+](CCS(=O)(=O)CC)Cc1ccc(C#N)cc1 ZINC000118393313 365154836 /nfs/dbraw/zinc/15/48/36/365154836.db2.gz UPKGQNPAICTZCG-UHFFFAOYSA-N 1 2 294.420 2.205 20 30 CEEDLO CCC[N@@H+](CCS(=O)(=O)CC)Cc1ccc(C#N)cc1 ZINC000118393313 365154842 /nfs/dbraw/zinc/15/48/42/365154842.db2.gz UPKGQNPAICTZCG-UHFFFAOYSA-N 1 2 294.420 2.205 20 30 CEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCN1CC(F)F ZINC000572352751 299360270 /nfs/dbraw/zinc/36/02/70/299360270.db2.gz 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367109114 /nfs/dbraw/zinc/10/91/14/367109114.db2.gz CXSPDRCWPILXAU-UHFFFAOYSA-N 1 2 287.319 2.079 20 30 CEEDLO CC#CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000357876548 370831935 /nfs/dbraw/zinc/83/19/35/370831935.db2.gz YBXCZHNUVRJDIT-MRXNPFEDSA-N 1 2 298.386 2.438 20 30 CEEDLO CC#CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000357876548 370831941 /nfs/dbraw/zinc/83/19/41/370831941.db2.gz YBXCZHNUVRJDIT-MRXNPFEDSA-N 1 2 298.386 2.438 20 30 CEEDLO CC#CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000357876547 370832444 /nfs/dbraw/zinc/83/24/44/370832444.db2.gz YBXCZHNUVRJDIT-INIZCTEOSA-N 1 2 298.386 2.438 20 30 CEEDLO CC#CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000357876547 370832448 /nfs/dbraw/zinc/83/24/48/370832448.db2.gz YBXCZHNUVRJDIT-INIZCTEOSA-N 1 2 298.386 2.438 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000596671594 367208188 /nfs/dbraw/zinc/20/81/88/367208188.db2.gz KUTAXFINOPORQJ-GFCCVEGCSA-N 1 2 280.331 2.219 20 30 CEEDLO N#CCc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000596671594 367208196 /nfs/dbraw/zinc/20/81/96/367208196.db2.gz KUTAXFINOPORQJ-GFCCVEGCSA-N 1 2 280.331 2.219 20 30 CEEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)CC#N ZINC000602864494 367217003 /nfs/dbraw/zinc/21/70/03/367217003.db2.gz RQLAVDQQVKKYNP-YPMHNXCESA-N 1 2 291.420 2.476 20 30 CEEDLO CC1(C)C[N@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000171069631 367471176 /nfs/dbraw/zinc/47/11/76/367471176.db2.gz ITHAPQFMPGLGCX-UHFFFAOYSA-N 1 2 294.786 2.129 20 30 CEEDLO CC1(C)C[N@@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000171069631 367471181 /nfs/dbraw/zinc/47/11/81/367471181.db2.gz ITHAPQFMPGLGCX-UHFFFAOYSA-N 1 2 294.786 2.129 20 30 CEEDLO Fc1ccc(C#CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000245902009 370886208 /nfs/dbraw/zinc/88/62/08/370886208.db2.gz BEDFOVCKCQOBKO-IAGOWNOFSA-N 1 2 289.350 2.057 20 30 CEEDLO Fc1ccc(C#CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000245902009 370886214 /nfs/dbraw/zinc/88/62/14/370886214.db2.gz BEDFOVCKCQOBKO-IAGOWNOFSA-N 1 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WSAGCYDGKNJRHE-UHFFFAOYSA-N 1 2 299.374 2.124 20 30 CEEDLO C=C[C@](C)(CC)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000682359525 541653161 /nfs/dbraw/zinc/65/31/61/541653161.db2.gz KTBNJCRKJWWRMJ-OAHLLOKOSA-N 1 2 260.337 2.274 20 30 CEEDLO Cc1cccn2cc(CNC(=O)c3ccc(C#N)cc3)[nH+]c12 ZINC000346412039 368666792 /nfs/dbraw/zinc/66/67/92/368666792.db2.gz PBHJPEFRVKNBPY-UHFFFAOYSA-N 1 2 290.326 2.444 20 30 CEEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)s1 ZINC000185369842 368798554 /nfs/dbraw/zinc/79/85/54/368798554.db2.gz DPPFISVHJZRZJN-CYBMUJFWSA-N 1 2 289.335 2.075 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000186393767 368968301 /nfs/dbraw/zinc/96/83/01/368968301.db2.gz XSNMKBJXMBVWKI-OAHLLOKOSA-N 1 2 258.321 2.086 20 30 CEEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000186393767 368968305 /nfs/dbraw/zinc/96/83/05/368968305.db2.gz XSNMKBJXMBVWKI-OAHLLOKOSA-N 1 2 258.321 2.086 20 30 CEEDLO COc1cc[nH+]cc1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000348316676 368999650 /nfs/dbraw/zinc/99/96/50/368999650.db2.gz DHDJDCUHTSPPSA-LBPRGKRZSA-N 1 2 295.342 2.382 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000330642324 203071441 /nfs/dbraw/zinc/07/14/41/203071441.db2.gz JEZNIRVUTSWLSZ-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000330642324 203071443 /nfs/dbraw/zinc/07/14/43/203071443.db2.gz JEZNIRVUTSWLSZ-CQSZACIVSA-N 1 2 289.354 2.188 20 30 CEEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n[nH]1 ZINC000187173259 369116053 /nfs/dbraw/zinc/11/60/53/369116053.db2.gz ZDBPREPJICCRPL-UHFFFAOYSA-N 1 2 299.353 2.051 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000187332153 369141038 /nfs/dbraw/zinc/14/10/38/369141038.db2.gz JDDWXQPCXNSIPG-MRXNPFEDSA-N 1 2 289.354 2.188 20 30 CEEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000187332153 369141042 /nfs/dbraw/zinc/14/10/42/369141042.db2.gz JDDWXQPCXNSIPG-MRXNPFEDSA-N 1 2 289.354 2.188 20 30 CEEDLO CCN(C(=O)Cc1c[nH+]cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000188267792 369328571 /nfs/dbraw/zinc/32/85/71/369328571.db2.gz KXQDOIOYVOMNLG-CYBMUJFWSA-N 1 2 296.374 2.444 20 30 CEEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000189315209 369495536 /nfs/dbraw/zinc/49/55/36/369495536.db2.gz VIYVTJKEFBJYKG-LSDHHAIUSA-N 1 2 298.346 2.212 20 30 CEEDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000189315209 369495542 /nfs/dbraw/zinc/49/55/42/369495542.db2.gz VIYVTJKEFBJYKG-LSDHHAIUSA-N 1 2 298.346 2.212 20 30 CEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000639112674 370989161 /nfs/dbraw/zinc/98/91/61/370989161.db2.gz RZFQGDRWXFCRKS-LBPRGKRZSA-N 1 2 298.383 2.014 20 30 CEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)cc1F ZINC000639112674 370989162 /nfs/dbraw/zinc/98/91/62/370989162.db2.gz RZFQGDRWXFCRKS-LBPRGKRZSA-N 1 2 298.383 2.014 20 30 CEEDLO Cc1cn2cc(NC(=O)c3c[nH]c(C#N)c3)ccc2[nH+]1 ZINC000352400818 369710977 /nfs/dbraw/zinc/71/09/77/369710977.db2.gz UKXUICVCQTWSCF-UHFFFAOYSA-N 1 2 265.276 2.095 20 30 CEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352466861 369743467 /nfs/dbraw/zinc/74/34/67/369743467.db2.gz GZCCPCDHEQDGJJ-VXGBXAGGSA-N 1 2 269.364 2.007 20 30 CEEDLO CCn1c[nH+]cc1CN(CCC#N)Cc1ccco1 ZINC000417747405 376198439 /nfs/dbraw/zinc/19/84/39/376198439.db2.gz RETYZTNFGQTECX-UHFFFAOYSA-N 1 2 258.325 2.412 20 30 CEEDLO C#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192226145 369781725 /nfs/dbraw/zinc/78/17/25/369781725.db2.gz UTRVFMSTDOUOEF-JTQLQIEISA-N 1 2 286.291 2.271 20 30 CEEDLO C#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192226145 369781727 /nfs/dbraw/zinc/78/17/27/369781727.db2.gz UTRVFMSTDOUOEF-JTQLQIEISA-N 1 2 286.291 2.271 20 30 CEEDLO C#CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000192238782 369783956 /nfs/dbraw/zinc/78/39/56/369783956.db2.gz NGZVSAILTFRQOT-LLVKDONJSA-N 1 2 271.320 2.371 20 30 CEEDLO C#CC[N@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000192238782 369783959 /nfs/dbraw/zinc/78/39/59/369783959.db2.gz NGZVSAILTFRQOT-LLVKDONJSA-N 1 2 271.320 2.371 20 30 CEEDLO COC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352801591 369884263 /nfs/dbraw/zinc/88/42/63/369884263.db2.gz RPWKGMNMORVSCG-CYBMUJFWSA-N 1 2 273.361 2.492 20 30 CEEDLO C[NH+](C)[C@H](CNCc1nc(C#N)cs1)c1ccco1 ZINC000352822685 369896853 /nfs/dbraw/zinc/89/68/53/369896853.db2.gz KVZBSSWQKMBBKB-LLVKDONJSA-N 1 2 276.365 2.000 20 30 CEEDLO COc1cnccc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352906421 369943066 /nfs/dbraw/zinc/94/30/66/369943066.db2.gz VYXOHBBYFAEFFE-VIFPVBQESA-N 1 2 274.349 2.269 20 30 CEEDLO C=CCCC(C)(C)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000637621048 370010382 /nfs/dbraw/zinc/01/03/82/370010382.db2.gz LAJNTPJUFHBCCH-UHFFFAOYSA-N 1 2 276.384 2.401 20 30 CEEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(C#N)o3)cn2c1 ZINC000354112129 370220686 /nfs/dbraw/zinc/22/06/86/370220686.db2.gz WZOHRHDMXRVFDG-UHFFFAOYSA-N 1 2 280.287 2.037 20 30 CEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C)cc2F)C1=O 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282.347 2.241 20 30 CEEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)[nH+]c2c1 ZINC000335621851 394782442 /nfs/dbraw/zinc/78/24/42/394782442.db2.gz AFMJTEQFMDNLBF-QWHCGFSZSA-N 1 2 297.362 2.134 20 30 CEEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)C(F)(F)F ZINC000121358444 394796317 /nfs/dbraw/zinc/79/63/17/394796317.db2.gz LURXIPWLVGHKMY-SECBINFHSA-N 1 2 252.280 2.171 20 30 CEEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)C(F)(F)F ZINC000121358444 394796321 /nfs/dbraw/zinc/79/63/21/394796321.db2.gz LURXIPWLVGHKMY-SECBINFHSA-N 1 2 252.280 2.171 20 30 CEEDLO C=C(CC)C[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360593550 394803503 /nfs/dbraw/zinc/80/35/03/394803503.db2.gz DMMQMBNZIVJWBA-UHFFFAOYSA-N 1 2 262.328 2.441 20 30 CEEDLO C=C(CC)C[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360593550 394803507 /nfs/dbraw/zinc/80/35/07/394803507.db2.gz DMMQMBNZIVJWBA-UHFFFAOYSA-N 1 2 262.328 2.441 20 30 CEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000336092147 394825663 /nfs/dbraw/zinc/82/56/63/394825663.db2.gz RDDYDHJKRIFMOZ-CYBMUJFWSA-N 1 2 299.374 2.012 20 30 CEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000336092147 394825667 /nfs/dbraw/zinc/82/56/67/394825667.db2.gz RDDYDHJKRIFMOZ-CYBMUJFWSA-N 1 2 299.374 2.012 20 30 CEEDLO CCc1noc([C@H](C)O[NH+]=C(N)c2ccc(OC)cc2)n1 ZINC000123347030 394826978 /nfs/dbraw/zinc/82/69/78/394826978.db2.gz SPXGRFPSWDBTEA-VIFPVBQESA-N 1 2 290.323 2.039 20 30 CEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000361995049 394840487 /nfs/dbraw/zinc/84/04/87/394840487.db2.gz BHTGIHNZOBZSTM-UHFFFAOYSA-N 1 2 288.391 2.248 20 30 CEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000361995049 394840492 /nfs/dbraw/zinc/84/04/92/394840492.db2.gz BHTGIHNZOBZSTM-UHFFFAOYSA-N 1 2 288.391 2.248 20 30 CEEDLO Cn1cc(C[NH+]2CCC(C#N)CC2)c(C(F)F)n1 ZINC000336400156 394851816 /nfs/dbraw/zinc/85/18/16/394851816.db2.gz NAGFAZSNZGBJDD-UHFFFAOYSA-N 1 2 254.284 2.093 20 30 CEEDLO C#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000282129384 394910771 /nfs/dbraw/zinc/91/07/71/394910771.db2.gz PGPXYZSYBFBDDN-MRXNPFEDSA-N 1 2 281.359 2.319 20 30 CEEDLO Cc1ccc2nc(C[N@@H+](C[C@H](C)C#N)C3CC3)cc(=O)n2c1 ZINC000338371140 394917304 /nfs/dbraw/zinc/91/73/04/394917304.db2.gz GCEYCKAZNVQJAJ-CYBMUJFWSA-N 1 2 296.374 2.127 20 30 CEEDLO Cc1ccc2nc(C[N@H+](C[C@H](C)C#N)C3CC3)cc(=O)n2c1 ZINC000338371140 394917305 /nfs/dbraw/zinc/91/73/05/394917305.db2.gz GCEYCKAZNVQJAJ-CYBMUJFWSA-N 1 2 296.374 2.127 20 30 CEEDLO C[C@H](N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)C(F)(F)F ZINC000339013705 394936758 /nfs/dbraw/zinc/93/67/58/394936758.db2.gz MYHPKUBPRIZZTA-SRVKXCTJSA-N 1 2 275.318 2.247 20 30 CEEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCOCCC#N)n1 ZINC000339023080 394937410 /nfs/dbraw/zinc/93/74/10/394937410.db2.gz IHSGAAUNLWNLPZ-NSHDSACASA-N 1 2 298.412 2.246 20 30 CEEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCOCCC#N)n1 ZINC000339023080 394937416 /nfs/dbraw/zinc/93/74/16/394937416.db2.gz IHSGAAUNLWNLPZ-NSHDSACASA-N 1 2 298.412 2.246 20 30 CEEDLO Cc1nc(C2([NH2+]CCOCCC#N)CCCCCC2)no1 ZINC000339029407 394937830 /nfs/dbraw/zinc/93/78/30/394937830.db2.gz PZWNSSCPFZRVMH-UHFFFAOYSA-N 1 2 292.383 2.447 20 30 CEEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366434547 394945606 /nfs/dbraw/zinc/94/56/06/394945606.db2.gz KVOMFVFDOZEQKN-CABCVRRESA-N 1 2 256.349 2.461 20 30 CEEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366434547 394945608 /nfs/dbraw/zinc/94/56/08/394945608.db2.gz KVOMFVFDOZEQKN-CABCVRRESA-N 1 2 256.349 2.461 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000286403944 395021824 /nfs/dbraw/zinc/02/18/24/395021824.db2.gz NMXYVSRWYRGAOU-UHFFFAOYSA-N 1 2 267.332 2.004 20 30 CEEDLO C#CCN(Cc1ccccc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000286403944 395021828 /nfs/dbraw/zinc/02/18/28/395021828.db2.gz NMXYVSRWYRGAOU-UHFFFAOYSA-N 1 2 267.332 2.004 20 30 CEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000368126289 394979184 /nfs/dbraw/zinc/97/91/84/394979184.db2.gz RRVGZGIQXYPYHZ-OAHLLOKOSA-N 1 2 279.343 2.297 20 30 CEEDLO Cc1cc(NCc2ccc3c(c2)OCCO3)c(C#N)c[nH+]1 ZINC000425200307 395052487 /nfs/dbraw/zinc/05/24/87/395052487.db2.gz KOOJQLMNYKTWDY-UHFFFAOYSA-N 1 2 281.315 2.067 20 30 CEEDLO Cc1cc(NCCC[C@@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000425230379 395053000 /nfs/dbraw/zinc/05/30/00/395053000.db2.gz BYPIMYYLDONCTC-AWEZNQCLSA-N 1 2 259.353 2.445 20 30 CEEDLO N#Cc1ccc(-c2cnc(Cn3cc[nH+]c3)o2)cc1 ZINC000158755973 395053669 /nfs/dbraw/zinc/05/36/69/395053669.db2.gz FSLDDDCNQZKNAH-UHFFFAOYSA-N 1 2 250.261 2.458 20 30 CEEDLO N#CC1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000416346861 395055886 /nfs/dbraw/zinc/05/58/86/395055886.db2.gz MQRYWYKCAZCLBE-UHFFFAOYSA-N 1 2 280.331 2.296 20 30 CEEDLO C#C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)C(C)(C)C ZINC000288285903 395056535 /nfs/dbraw/zinc/05/65/35/395056535.db2.gz FJVMUCRSUAKCGB-CYBMUJFWSA-N 1 2 284.363 2.181 20 30 CEEDLO C#C[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000373449037 395060732 /nfs/dbraw/zinc/06/07/32/395060732.db2.gz SGONLOFBLHJWAT-HIFRSBDPSA-N 1 2 293.370 2.250 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000374045681 395071062 /nfs/dbraw/zinc/07/10/62/395071062.db2.gz YTRKWFHNXJATLV-SWLSCSKDSA-N 1 2 289.354 2.333 20 30 CEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374045681 395071064 /nfs/dbraw/zinc/07/10/64/395071064.db2.gz YTRKWFHNXJATLV-SWLSCSKDSA-N 1 2 289.354 2.333 20 30 CEEDLO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000289126658 395071688 /nfs/dbraw/zinc/07/16/88/395071688.db2.gz OFAGNAFRFSXOGS-OAHLLOKOSA-N 1 2 257.333 2.195 20 30 CEEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000289126658 395071692 /nfs/dbraw/zinc/07/16/92/395071692.db2.gz OFAGNAFRFSXOGS-OAHLLOKOSA-N 1 2 257.333 2.195 20 30 CEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289374199 395075634 /nfs/dbraw/zinc/07/56/34/395075634.db2.gz BOLBOYIVUFQBMB-VIFPVBQESA-N 1 2 284.709 2.129 20 30 CEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289374199 395075636 /nfs/dbraw/zinc/07/56/36/395075636.db2.gz BOLBOYIVUFQBMB-VIFPVBQESA-N 1 2 284.709 2.129 20 30 CEEDLO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000346264339 395092934 /nfs/dbraw/zinc/09/29/34/395092934.db2.gz DCPNPWLRBZDHLJ-LBPRGKRZSA-N 1 2 262.357 2.137 20 30 CEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1COC(=O)NC ZINC000286960042 395031114 /nfs/dbraw/zinc/03/11/14/395031114.db2.gz NFMNHVVFGZVXSU-JTQLQIEISA-N 1 2 291.189 2.106 20 30 CEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1COC(=O)NC ZINC000286960042 395031117 /nfs/dbraw/zinc/03/11/17/395031117.db2.gz NFMNHVVFGZVXSU-JTQLQIEISA-N 1 2 291.189 2.106 20 30 CEEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H](C)C(=O)OC(C)C)c1 ZINC000173989458 395118151 /nfs/dbraw/zinc/11/81/51/395118151.db2.gz VDFDALOWPFAAIX-LKBVRNOZSA-N 1 2 279.336 2.407 20 30 CEEDLO CCOC(=O)CC(C)(C)CC[N@H+](CC#N)C1CC1 ZINC000346891349 395112104 /nfs/dbraw/zinc/11/21/04/395112104.db2.gz ZJWIAPFDDRYYRS-UHFFFAOYSA-N 1 2 252.358 2.344 20 30 CEEDLO CCOC(=O)CC(C)(C)CC[N@@H+](CC#N)C1CC1 ZINC000346891349 395112106 /nfs/dbraw/zinc/11/21/06/395112106.db2.gz ZJWIAPFDDRYYRS-UHFFFAOYSA-N 1 2 252.358 2.344 20 30 CEEDLO C[S@](=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000348718544 395150357 /nfs/dbraw/zinc/15/03/57/395150357.db2.gz XXIRGSUBHCIVRO-IBGZPJMESA-N 1 2 280.368 2.252 20 30 CEEDLO Cc1nnsc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000291790917 395160737 /nfs/dbraw/zinc/16/07/37/395160737.db2.gz WEWYLGIWEJEFHK-UHFFFAOYSA-N 1 2 262.313 2.147 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000348879197 395153473 /nfs/dbraw/zinc/15/34/73/395153473.db2.gz BIKYARKHXGHVTN-BXUZGUMPSA-N 1 2 278.356 2.043 20 30 CEEDLO CC[C@](C)(C#N)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000348879197 395153477 /nfs/dbraw/zinc/15/34/77/395153477.db2.gz BIKYARKHXGHVTN-BXUZGUMPSA-N 1 2 278.356 2.043 20 30 CEEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@]2(CCOC2)O1 ZINC000428969306 395157135 /nfs/dbraw/zinc/15/71/35/395157135.db2.gz RNIVWPRIZRBWSY-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@]2(CCOC2)O1 ZINC000428969306 395157140 /nfs/dbraw/zinc/15/71/40/395157140.db2.gz RNIVWPRIZRBWSY-WBMJQRKESA-N 1 2 290.338 2.077 20 30 CEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnccn1 ZINC000177858280 395157217 /nfs/dbraw/zinc/15/72/17/395157217.db2.gz SFMWRWHDUAPTKH-SNVBAGLBSA-N 1 2 256.284 2.338 20 30 CEEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)Cc1ccccc1 ZINC000178721930 395173796 /nfs/dbraw/zinc/17/37/96/395173796.db2.gz GKQGKVOUZDLGIH-SFHVURJKSA-N 1 2 295.386 2.401 20 30 CEEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)Cc1ccccc1 ZINC000178721930 395173801 /nfs/dbraw/zinc/17/38/01/395173801.db2.gz GKQGKVOUZDLGIH-SFHVURJKSA-N 1 2 295.386 2.401 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1conc1CC ZINC000293310219 395228160 /nfs/dbraw/zinc/22/81/60/395228160.db2.gz FLHQECVSKQGFQX-ZDUSSCGKSA-N 1 2 293.411 2.482 20 30 CEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1conc1CC ZINC000293310219 395228165 /nfs/dbraw/zinc/22/81/65/395228165.db2.gz FLHQECVSKQGFQX-ZDUSSCGKSA-N 1 2 293.411 2.482 20 30 CEEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000293025925 395214428 /nfs/dbraw/zinc/21/44/28/395214428.db2.gz FVAJUBIWTTYJPO-CYBMUJFWSA-N 1 2 278.302 2.025 20 30 CEEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000293025925 395214431 /nfs/dbraw/zinc/21/44/31/395214431.db2.gz FVAJUBIWTTYJPO-CYBMUJFWSA-N 1 2 278.302 2.025 20 30 CEEDLO CC#CC[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000293181994 395224336 /nfs/dbraw/zinc/22/43/36/395224336.db2.gz PTGAOFLIDRYIPC-LLVKDONJSA-N 1 2 256.309 2.148 20 30 CEEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000293181994 395224337 /nfs/dbraw/zinc/22/43/37/395224337.db2.gz PTGAOFLIDRYIPC-LLVKDONJSA-N 1 2 256.309 2.148 20 30 CEEDLO COc1cnccc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000187093280 395297938 /nfs/dbraw/zinc/29/79/38/395297938.db2.gz NUEYLOMNBSCBAR-NWDGAFQWSA-N 1 2 258.325 2.184 20 30 CEEDLO C=CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)C2)cc1 ZINC000353800902 395308613 /nfs/dbraw/zinc/30/86/13/395308613.db2.gz BUWFVTURTCUGLS-DJJJIMSYSA-N 1 2 279.405 2.204 20 30 CEEDLO C=CCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)C2)cc1 ZINC000353800902 395308620 /nfs/dbraw/zinc/30/86/20/395308620.db2.gz BUWFVTURTCUGLS-DJJJIMSYSA-N 1 2 279.405 2.204 20 30 CEEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352458433 395255473 /nfs/dbraw/zinc/25/54/73/395255473.db2.gz KGXTWLTZIAIHMX-LBPRGKRZSA-N 1 2 275.327 2.341 20 30 CEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000352471676 395258544 /nfs/dbraw/zinc/25/85/44/395258544.db2.gz UNXPXOCPYRDIIK-GFCCVEGCSA-N 1 2 261.369 2.164 20 30 CEEDLO COC(=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1F ZINC000352485008 395260625 /nfs/dbraw/zinc/26/06/25/395260625.db2.gz WLTLMSKKZZMVHK-UHFFFAOYSA-N 1 2 294.301 2.440 20 30 CEEDLO COC(=O)[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000419367346 395264658 /nfs/dbraw/zinc/26/46/58/395264658.db2.gz DCISMSCJGMFLHS-JKSUJKDBSA-N 1 2 284.359 2.477 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C#N)cs1 ZINC000191679212 395362628 /nfs/dbraw/zinc/36/26/28/395362628.db2.gz SIQYERPDBWUWBD-XBFCOCLRSA-N 1 2 290.388 2.393 20 30 CEEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(C#N)cs1 ZINC000191679212 395362631 /nfs/dbraw/zinc/36/26/31/395362631.db2.gz SIQYERPDBWUWBD-XBFCOCLRSA-N 1 2 290.388 2.393 20 30 CEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000192224286 395377237 /nfs/dbraw/zinc/37/72/37/395377237.db2.gz AZCQPMXAMAVWRG-LLVKDONJSA-N 1 2 264.756 2.082 20 30 CEEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000192224286 395377242 /nfs/dbraw/zinc/37/72/42/395377242.db2.gz AZCQPMXAMAVWRG-LLVKDONJSA-N 1 2 264.756 2.082 20 30 CEEDLO N#CC1(CC[N@@H+]2CCOC[C@]23CCOC3)CCCCC1 ZINC000411699546 395335974 /nfs/dbraw/zinc/33/59/74/395335974.db2.gz WMSGVQMRXOSUOS-MRXNPFEDSA-N 1 2 278.396 2.342 20 30 CEEDLO N#CC1(CC[N@H+]2CCOC[C@]23CCOC3)CCCCC1 ZINC000411699546 395335976 /nfs/dbraw/zinc/33/59/76/395335976.db2.gz WMSGVQMRXOSUOS-MRXNPFEDSA-N 1 2 278.396 2.342 20 30 CEEDLO C=CCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCOCC1 ZINC000567705424 395535314 /nfs/dbraw/zinc/53/53/14/395535314.db2.gz GAWGSJKKPHZCOZ-UHFFFAOYSA-N 1 2 274.364 2.432 20 30 CEEDLO C[C@H](CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000567991219 395543842 /nfs/dbraw/zinc/54/38/42/395543842.db2.gz MHJIKZJPBYQLOF-NFAWXSAZSA-N 1 2 274.368 2.423 20 30 CEEDLO N#Cc1csc(C[N@@H+]2CCC[C@]3(CCOC3)C2)n1 ZINC000449678620 395560254 /nfs/dbraw/zinc/56/02/54/395560254.db2.gz FUYORYJRBQNNAV-ZDUSSCGKSA-N 1 2 263.366 2.017 20 30 CEEDLO N#Cc1csc(C[N@H+]2CCC[C@]3(CCOC3)C2)n1 ZINC000449678620 395560256 /nfs/dbraw/zinc/56/02/56/395560256.db2.gz FUYORYJRBQNNAV-ZDUSSCGKSA-N 1 2 263.366 2.017 20 30 CEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)ccc1Cl ZINC000569248418 395575291 /nfs/dbraw/zinc/57/52/91/395575291.db2.gz NHWRQRYWYXDZKY-CYBMUJFWSA-N 1 2 283.734 2.053 20 30 CEEDLO C[C@H](C#N)C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000572612318 395586806 /nfs/dbraw/zinc/58/68/06/395586806.db2.gz PYNYNLYQHFQMRB-MRVPVSSYSA-N 1 2 254.236 2.257 20 30 CEEDLO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000459507482 395666177 /nfs/dbraw/zinc/66/61/77/395666177.db2.gz VRULWRJECOHATL-CYBMUJFWSA-N 1 2 289.335 2.466 20 30 CEEDLO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000459507482 395666178 /nfs/dbraw/zinc/66/61/78/395666178.db2.gz VRULWRJECOHATL-CYBMUJFWSA-N 1 2 289.335 2.466 20 30 CEEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000491631636 395670171 /nfs/dbraw/zinc/67/01/71/395670171.db2.gz PBLAXSUWHPTSEU-ZBFHGGJFSA-N 1 2 274.408 2.265 20 30 CEEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000491631636 395670172 /nfs/dbraw/zinc/67/01/72/395670172.db2.gz PBLAXSUWHPTSEU-ZBFHGGJFSA-N 1 2 274.408 2.265 20 30 CEEDLO C=CCCC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000648710675 395964107 /nfs/dbraw/zinc/96/41/07/395964107.db2.gz CDEKIPLULDLCRH-UHFFFAOYSA-N 1 2 257.337 2.268 20 30 CEEDLO C=C(C)[C@@H](CO)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000649393491 396140295 /nfs/dbraw/zinc/14/02/95/396140295.db2.gz WXSSNVRZSPTQDF-RHSMWYFYSA-N 1 2 292.398 2.441 20 30 CEEDLO Cc1cccc(CCNc2ccc(C)c(C#N)n2)[nH+]1 ZINC000359833903 155146076 /nfs/dbraw/zinc/14/60/76/155146076.db2.gz GFLIQKVPHZMCPU-UHFFFAOYSA-N 1 2 252.321 2.042 20 30 CEEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000611198296 400666448 /nfs/dbraw/zinc/66/64/48/400666448.db2.gz CPTPECTWZJDMRB-TVQRCGJNSA-N 1 2 295.745 2.476 20 30 CEEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000192903545 153222867 /nfs/dbraw/zinc/22/28/67/153222867.db2.gz YJHUNRQFZNYQMZ-UHFFFAOYSA-N 1 2 294.358 2.402 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000194310363 153252764 /nfs/dbraw/zinc/25/27/64/153252764.db2.gz MNWYOELVWRAPMR-JKSUJKDBSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000194310363 153252770 /nfs/dbraw/zinc/25/27/70/153252770.db2.gz MNWYOELVWRAPMR-JKSUJKDBSA-N 1 2 299.374 2.140 20 30 CEEDLO N#Cc1ccc(NC(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000374866555 157022334 /nfs/dbraw/zinc/02/23/34/157022334.db2.gz WAKAKRUTSBNLTH-AWEZNQCLSA-N 1 2 295.346 2.057 20 30 CEEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000376269506 157202903 /nfs/dbraw/zinc/20/29/03/157202903.db2.gz ZTQVKQJILLWNNW-UHFFFAOYSA-N 1 2 299.309 2.250 20 30 CEEDLO N#Cc1ccc(CNc2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000376526663 157239939 /nfs/dbraw/zinc/23/99/39/157239939.db2.gz JWTNWSXQAMACGG-UHFFFAOYSA-N 1 2 275.315 2.173 20 30 CEEDLO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(F)(C#N)CC1)C1CC1 ZINC000352484863 286789142 /nfs/dbraw/zinc/78/91/42/286789142.db2.gz UXMKWOFLNWUOJF-LBPRGKRZSA-N 1 2 293.386 2.104 20 30 CEEDLO CCC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000179643982 165289354 /nfs/dbraw/zinc/28/93/54/165289354.db2.gz JHPVNQBYPUDLBY-LBPRGKRZSA-N 1 2 298.433 2.019 20 30 CEEDLO CCC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000179643982 165289355 /nfs/dbraw/zinc/28/93/55/165289355.db2.gz JHPVNQBYPUDLBY-LBPRGKRZSA-N 1 2 298.433 2.019 20 30 CEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000517211115 260068966 /nfs/dbraw/zinc/06/89/66/260068966.db2.gz PCGXAMDEWDTQJE-SFHVURJKSA-N 1 2 299.418 2.068 20 30 CEEDLO C=C(C)[C@@H](CO)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653911904 414787141 /nfs/dbraw/zinc/78/71/41/414787141.db2.gz LYARRWILXAXGEU-HUUCEWRRSA-N 1 2 272.348 2.485 20 30 CEEDLO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764689 414966481 /nfs/dbraw/zinc/96/64/81/414966481.db2.gz QPXIOHFMWXPMTO-HUUCEWRRSA-N 1 2 286.379 2.153 20 30 CEEDLO C=CCC[C@@H](O)C[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764689 414966486 /nfs/dbraw/zinc/96/64/86/414966486.db2.gz QPXIOHFMWXPMTO-HUUCEWRRSA-N 1 2 286.379 2.153 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)CCc2ncc(C)s2)nn1 ZINC000653590243 415046655 /nfs/dbraw/zinc/04/66/55/415046655.db2.gz VMYBQSUKVRQYDJ-UHFFFAOYSA-N 1 2 291.424 2.294 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)CCc2ncc(C)s2)nn1 ZINC000653590243 415046659 /nfs/dbraw/zinc/04/66/59/415046659.db2.gz VMYBQSUKVRQYDJ-UHFFFAOYSA-N 1 2 291.424 2.294 20 30 CEEDLO C=CCCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663856852 415071599 /nfs/dbraw/zinc/07/15/99/415071599.db2.gz UGZUHAPTYVNLKL-UHFFFAOYSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CCCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663856852 415071603 /nfs/dbraw/zinc/07/16/03/415071603.db2.gz UGZUHAPTYVNLKL-UHFFFAOYSA-N 1 2 276.384 2.206 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000661043423 415073069 /nfs/dbraw/zinc/07/30/69/415073069.db2.gz BUFIBCOLJLQBMI-KGLIPLIRSA-N 1 2 288.395 2.196 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCCc3occc3C2)nn1 ZINC000653678711 415073359 /nfs/dbraw/zinc/07/33/59/415073359.db2.gz YZFBHLZQHBAAFZ-UHFFFAOYSA-N 1 2 272.352 2.396 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCCc3occc3C2)nn1 ZINC000653678711 415073365 /nfs/dbraw/zinc/07/33/65/415073365.db2.gz YZFBHLZQHBAAFZ-UHFFFAOYSA-N 1 2 272.352 2.396 20 30 CEEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2ccncc2)nn1 ZINC000653593081 415044859 /nfs/dbraw/zinc/04/48/59/415044859.db2.gz FSAOMKQGPCXZOW-CYBMUJFWSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2ccncc2)nn1 ZINC000653593081 415044862 /nfs/dbraw/zinc/04/48/62/415044862.db2.gz FSAOMKQGPCXZOW-CYBMUJFWSA-N 1 2 271.368 2.442 20 30 CEEDLO C=CC[N@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)COC ZINC000661243794 415155991 /nfs/dbraw/zinc/15/59/91/415155991.db2.gz NLNGAQAHKDYCJT-SECBINFHSA-N 1 2 293.289 2.197 20 30 CEEDLO C=CC[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)COC ZINC000661243794 415155997 /nfs/dbraw/zinc/15/59/97/415155997.db2.gz NLNGAQAHKDYCJT-SECBINFHSA-N 1 2 293.289 2.197 20 30 CEEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@H](C)COC ZINC000661247895 415157742 /nfs/dbraw/zinc/15/77/42/415157742.db2.gz QXMXBVFLYMOXSZ-LLVKDONJSA-N 1 2 267.373 2.390 20 30 CEEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)no1)[C@H](C)COC ZINC000661247895 415157747 /nfs/dbraw/zinc/15/77/47/415157747.db2.gz QXMXBVFLYMOXSZ-LLVKDONJSA-N 1 2 267.373 2.390 20 30 CEEDLO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000661114446 415102459 /nfs/dbraw/zinc/10/24/59/415102459.db2.gz HRIJXSTXVLXASN-OCCSQVGLSA-N 1 2 286.379 2.247 20 30 CEEDLO C=CCCn1cc(C[N@H+]2C[C@H](CC)OC[C@@H]2CC)nn1 ZINC000653778784 415103631 /nfs/dbraw/zinc/10/36/31/415103631.db2.gz MVTJOEFHWMXUGO-GJZGRUSLSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2C[C@H](CC)OC[C@@H]2CC)nn1 ZINC000653778784 415103633 /nfs/dbraw/zinc/10/36/33/415103633.db2.gz MVTJOEFHWMXUGO-GJZGRUSLSA-N 1 2 278.400 2.244 20 30 CEEDLO C=CCC1(NC(=O)NCc2[nH+]ccn2C)CCCC1 ZINC000663974730 415106671 /nfs/dbraw/zinc/10/66/71/415106671.db2.gz LZGUOHJIUIZSCV-UHFFFAOYSA-N 1 2 262.357 2.108 20 30 CEEDLO C=CC[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000664255211 415245185 /nfs/dbraw/zinc/24/51/85/415245185.db2.gz IMXCIYJAWWGMAN-LLVKDONJSA-N 1 2 260.341 2.073 20 30 CEEDLO C=CC[C@@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000664255211 415245187 /nfs/dbraw/zinc/24/51/87/415245187.db2.gz IMXCIYJAWWGMAN-LLVKDONJSA-N 1 2 260.341 2.073 20 30 CEEDLO C=CC[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000664254114 415245557 /nfs/dbraw/zinc/24/55/57/415245557.db2.gz CCONEHJQBNELFX-LLVKDONJSA-N 1 2 257.341 2.156 20 30 CEEDLO C=CCOCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000658206018 415256564 /nfs/dbraw/zinc/25/65/64/415256564.db2.gz KWKJQJYDCMRTRW-HNNXBMFYSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CCOCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000658206018 415256570 /nfs/dbraw/zinc/25/65/70/415256570.db2.gz KWKJQJYDCMRTRW-HNNXBMFYSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CCOCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000658206018 415256574 /nfs/dbraw/zinc/25/65/74/415256574.db2.gz KWKJQJYDCMRTRW-HNNXBMFYSA-N 1 2 290.342 2.216 20 30 CEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661507682 415299825 /nfs/dbraw/zinc/29/98/25/415299825.db2.gz ARQRSVUCYXBIQI-LSDHHAIUSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2c2ccc(F)cc2)C1=O ZINC000661507682 415299831 /nfs/dbraw/zinc/29/98/31/415299831.db2.gz ARQRSVUCYXBIQI-LSDHHAIUSA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661507676 415300620 /nfs/dbraw/zinc/30/06/20/415300620.db2.gz ARQRSVUCYXBIQI-CABCVRRESA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2c2ccc(F)cc2)C1=O ZINC000661507676 415300630 /nfs/dbraw/zinc/30/06/30/415300630.db2.gz ARQRSVUCYXBIQI-CABCVRRESA-N 1 2 274.339 2.359 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664589631 415413647 /nfs/dbraw/zinc/41/36/47/415413647.db2.gz LDZQWPLWIAUBHG-ZNMIVQPWSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664589631 415413651 /nfs/dbraw/zinc/41/36/51/415413651.db2.gz LDZQWPLWIAUBHG-ZNMIVQPWSA-N 1 2 297.443 2.140 20 30 CEEDLO C=CCC1([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CCCC1 ZINC000661852444 415497313 /nfs/dbraw/zinc/49/73/13/415497313.db2.gz VDMOHFPEGILCAC-UHFFFAOYSA-N 1 2 272.352 2.001 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CCc3cc(OC)ccc3C2)nn1 ZINC000661742287 415435587 /nfs/dbraw/zinc/43/55/87/415435587.db2.gz MNRFDZRFHPROAG-UHFFFAOYSA-N 1 2 298.390 2.421 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CCc3cc(OC)ccc3C2)nn1 ZINC000661742287 415435594 /nfs/dbraw/zinc/43/55/94/415435594.db2.gz MNRFDZRFHPROAG-UHFFFAOYSA-N 1 2 298.390 2.421 20 30 CEEDLO C=CCCn1cc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)nn1 ZINC000661979001 415554187 /nfs/dbraw/zinc/55/41/87/415554187.db2.gz RWYXXRRIQIXOQM-CQSZACIVSA-N 1 2 290.411 2.388 20 30 CEEDLO C=CCCn1cc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)nn1 ZINC000661979001 415554191 /nfs/dbraw/zinc/55/41/91/415554191.db2.gz RWYXXRRIQIXOQM-CQSZACIVSA-N 1 2 290.411 2.388 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000662079915 415615333 /nfs/dbraw/zinc/61/53/33/415615333.db2.gz LJVGUFAXPMNWOT-KRWDZBQOSA-N 1 2 299.374 2.453 20 30 CEEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000662079915 415615337 /nfs/dbraw/zinc/61/53/37/415615337.db2.gz LJVGUFAXPMNWOT-KRWDZBQOSA-N 1 2 299.374 2.453 20 30 CEEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000662092567 415621832 /nfs/dbraw/zinc/62/18/32/415621832.db2.gz QSYJQDXZKUYXOI-CHWSQXEVSA-N 1 2 276.384 2.479 20 30 CEEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662165891 415668824 /nfs/dbraw/zinc/66/88/24/415668824.db2.gz VGYRVPQTPCIVPE-CMPLNLGQSA-N 1 2 291.326 2.382 20 30 CEEDLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CCCC#N ZINC000076802423 177100456 /nfs/dbraw/zinc/10/04/56/177100456.db2.gz VJJVLTYDHLKZMP-OAHLLOKOSA-N 1 2 257.381 2.496 20 30 CEEDLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCCC#N ZINC000076802423 177100458 /nfs/dbraw/zinc/10/04/58/177100458.db2.gz VJJVLTYDHLKZMP-OAHLLOKOSA-N 1 2 257.381 2.496 20 30 CEEDLO C=CCN1C(=O)c2ccccc2N[C@@H]1c1[nH]c[nH+]c1C ZINC000078752578 177381821 /nfs/dbraw/zinc/38/18/21/177381821.db2.gz AJEINNZEVUIQRL-AWEZNQCLSA-N 1 2 268.320 2.471 20 30 CEEDLO C[C@H](C#N)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000347031565 226021132 /nfs/dbraw/zinc/02/11/32/226021132.db2.gz FDABTEJGPJVAJE-SNVBAGLBSA-N 1 2 268.320 2.399 20 30 CEEDLO O=C(NCC1CC(F)(F)C1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330207720 228066045 /nfs/dbraw/zinc/06/60/45/228066045.db2.gz GEHUJWIJHFHJNO-LLVKDONJSA-N 1 2 298.337 2.309 20 30 CEEDLO N#CC1(F)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000353326845 228085763 /nfs/dbraw/zinc/08/57/63/228085763.db2.gz DQFSNZXJZKOMAS-UHFFFAOYSA-N 1 2 287.298 2.194 20 30 CEEDLO O=C(COC1CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330316142 228139352 /nfs/dbraw/zinc/13/93/52/228139352.db2.gz PVNIYNKUFDSXMX-LLVKDONJSA-N 1 2 263.341 2.114 20 30 CEEDLO N#C[C@H]1CC[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000333429251 228200507 /nfs/dbraw/zinc/20/05/07/228200507.db2.gz UBURIBAFSQIORK-WDEREUQCSA-N 1 2 269.308 2.148 20 30 CEEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000336237661 228219217 /nfs/dbraw/zinc/21/92/17/228219217.db2.gz ATUHMGHRMXGPQB-NHYWBVRUSA-N 1 2 266.304 2.361 20 30 CEEDLO C=CCOCCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000667062963 419535056 /nfs/dbraw/zinc/53/50/56/419535056.db2.gz SLNCBZXHZUCBFS-UHFFFAOYSA-N 1 2 263.341 2.413 20 30 CEEDLO C#CC[NH+](CC#C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000299231535 260175390 /nfs/dbraw/zinc/17/53/90/260175390.db2.gz JLXNTGXRQMLTOA-NSHDSACASA-N 1 2 259.305 2.004 20 30 CEEDLO C=C(C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153520745 261079791 /nfs/dbraw/zinc/07/97/91/261079791.db2.gz WVYYAGYCQHBMOV-UHFFFAOYSA-N 1 2 296.374 2.222 20 30 CEEDLO CN(CCCn1cc[nH+]c1)C(=O)C1(C#N)CCCCC1 ZINC000155048416 261097675 /nfs/dbraw/zinc/09/76/75/261097675.db2.gz JXQVNPYXVICRDW-UHFFFAOYSA-N 1 2 274.368 2.206 20 30 CEEDLO C#C[C@H](NC(=O)/C=C/c1[nH+]ccn1CC)C(C)(C)C ZINC000491808552 262074077 /nfs/dbraw/zinc/07/40/77/262074077.db2.gz VEEABFSCWPKKHI-BCPZQOPPSA-N 1 2 259.353 2.080 20 30 CEEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000186985261 262332985 /nfs/dbraw/zinc/33/29/85/262332985.db2.gz RDXQGNSQQLAFJF-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000186985261 262332986 /nfs/dbraw/zinc/33/29/86/262332986.db2.gz RDXQGNSQQLAFJF-ZDUSSCGKSA-N 1 2 285.391 2.150 20 30 CEEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC#Cc1ccccc1 ZINC000365273412 262357426 /nfs/dbraw/zinc/35/74/26/262357426.db2.gz KHDDSQFMKPDCKD-SJORKVTESA-N 1 2 283.371 2.108 20 30 CEEDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC#Cc1ccccc1 ZINC000365273412 262357427 /nfs/dbraw/zinc/35/74/27/262357427.db2.gz KHDDSQFMKPDCKD-SJORKVTESA-N 1 2 283.371 2.108 20 30 CEEDLO Cc1nc(NCC(C)(C)CC#N)c2c([nH+]1)CCCC2 ZINC000413405913 262763349 /nfs/dbraw/zinc/76/33/49/262763349.db2.gz JXPITSCOKXRSBI-UHFFFAOYSA-N 1 2 258.369 2.438 20 30 CEEDLO Cn1c(Cl)cnc1C[N@H+](C)CCC(C)(C)C#N ZINC000272289642 263003086 /nfs/dbraw/zinc/00/30/86/263003086.db2.gz NVXOHMGQLMSJQO-UHFFFAOYSA-N 1 2 254.765 2.445 20 30 CEEDLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(C)(C)C#N ZINC000272289642 263003087 /nfs/dbraw/zinc/00/30/87/263003087.db2.gz NVXOHMGQLMSJQO-UHFFFAOYSA-N 1 2 254.765 2.445 20 30 CEEDLO C[NH2+]Cc1noc([C@H](C#N)CCc2ccccc2)n1 ZINC000414638811 263018964 /nfs/dbraw/zinc/01/89/64/263018964.db2.gz FPTJJEBZJCNUQZ-LBPRGKRZSA-N 1 2 256.309 2.029 20 30 CEEDLO CCn1nccc1CC[N@H+](CCC#N)Cc1ccccn1 ZINC000276298926 263035854 /nfs/dbraw/zinc/03/58/54/263035854.db2.gz JMPYXEGNDWVUTC-UHFFFAOYSA-N 1 2 283.379 2.256 20 30 CEEDLO CCn1nccc1CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000276298926 263035855 /nfs/dbraw/zinc/03/58/55/263035855.db2.gz JMPYXEGNDWVUTC-UHFFFAOYSA-N 1 2 283.379 2.256 20 30 CEEDLO Cn1ncc(Br)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000278651722 263049540 /nfs/dbraw/zinc/04/95/40/263049540.db2.gz MCNLETMGAISGTF-UHFFFAOYSA-N 1 2 297.200 2.308 20 30 CEEDLO NC(=[NH+]OCc1ccc(C(F)(F)F)cn1)[C@@H]1CCCO1 ZINC000283845336 263084622 /nfs/dbraw/zinc/08/46/22/263084622.db2.gz BVBZACWBZATCNC-JTQLQIEISA-N 1 2 289.257 2.068 20 30 CEEDLO NC(=[NH+]OCc1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000283904412 263084837 /nfs/dbraw/zinc/08/48/37/263084837.db2.gz DICNJIYBWAHRQN-CQSZACIVSA-N 1 2 260.337 2.143 20 30 CEEDLO NC(=[NH+]OCc1nc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000283939646 263084968 /nfs/dbraw/zinc/08/49/68/263084968.db2.gz FJPSPOCBEDINNL-VIFPVBQESA-N 1 2 290.150 2.356 20 30 CEEDLO NC(=[NH+]OCc1cc(-c2ccccc2)on1)[C@H]1CCCO1 ZINC000284086425 263085689 /nfs/dbraw/zinc/08/56/89/263085689.db2.gz KTBZBDOUKWGONJ-CYBMUJFWSA-N 1 2 287.319 2.309 20 30 CEEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285559688 263094355 /nfs/dbraw/zinc/09/43/55/263094355.db2.gz FSUIACGBNLTNDQ-UMVBOHGHSA-N 1 2 274.368 2.232 20 30 CEEDLO COc1ccccc1O[C@H]1CCC[N@H+](CCC#N)C1 ZINC000286368741 263098249 /nfs/dbraw/zinc/09/82/49/263098249.db2.gz HWTAVIXJIXHYJB-ZDUSSCGKSA-N 1 2 260.337 2.452 20 30 CEEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000286368741 263098250 /nfs/dbraw/zinc/09/82/50/263098250.db2.gz HWTAVIXJIXHYJB-ZDUSSCGKSA-N 1 2 260.337 2.452 20 30 CEEDLO N#CCC[C@H](C#N)C[NH+]1CC(COc2ccccc2)C1 ZINC000287058930 263100742 /nfs/dbraw/zinc/10/07/42/263100742.db2.gz APMGFSKYGZMOOQ-CQSZACIVSA-N 1 2 269.348 2.441 20 30 CEEDLO C[N@H+](CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287795440 263102732 /nfs/dbraw/zinc/10/27/32/263102732.db2.gz OFKOUJPMVHOJGM-ZDUSSCGKSA-N 1 2 252.745 2.089 20 30 CEEDLO C[N@@H+](CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287795440 263102733 /nfs/dbraw/zinc/10/27/33/263102733.db2.gz OFKOUJPMVHOJGM-ZDUSSCGKSA-N 1 2 252.745 2.089 20 30 CEEDLO Cc1ccc(Cc2noc(CC(C)(C)C#N)n2)c[nH+]1 ZINC000288836022 263106190 /nfs/dbraw/zinc/10/61/90/263106190.db2.gz CEKWFSLRLJXORT-UHFFFAOYSA-N 1 2 256.309 2.456 20 30 CEEDLO CO/N=C/C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000290366554 263116251 /nfs/dbraw/zinc/11/62/51/263116251.db2.gz HFLPEXMDWFLLNG-YXHQGMJNSA-N 1 2 290.367 2.340 20 30 CEEDLO C[C@H](O)c1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000290367037 263116258 /nfs/dbraw/zinc/11/62/58/263116258.db2.gz NCZKYLKLGBURFF-JTQLQIEISA-N 1 2 265.382 2.322 20 30 CEEDLO C[NH+](C)[C@@H](CNC(=O)CCCC#N)c1c(F)cccc1F ZINC000291649931 263124503 /nfs/dbraw/zinc/12/45/03/263124503.db2.gz IDAIQWZTYTXGQY-ZDUSSCGKSA-N 1 2 295.333 2.378 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000292116973 263128724 /nfs/dbraw/zinc/12/87/24/263128724.db2.gz HRCWUAIWXAGUDS-UHFFFAOYSA-N 1 2 255.321 2.491 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000292116973 263128725 /nfs/dbraw/zinc/12/87/25/263128725.db2.gz HRCWUAIWXAGUDS-UHFFFAOYSA-N 1 2 255.321 2.491 20 30 CEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-n2cncn2)c(C)c1 ZINC000292786436 263135062 /nfs/dbraw/zinc/13/50/62/263135062.db2.gz LZSLLEQONYCBKP-UHFFFAOYSA-N 1 2 281.363 2.477 20 30 CEEDLO C=CC[N@H+](CCC#N)Cc1ccc(-n2cncn2)c(C)c1 ZINC000292786436 263135063 /nfs/dbraw/zinc/13/50/63/263135063.db2.gz LZSLLEQONYCBKP-UHFFFAOYSA-N 1 2 281.363 2.477 20 30 CEEDLO N#CCCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340472761 263163828 /nfs/dbraw/zinc/16/38/28/263163828.db2.gz BBHPUGWFRIBITA-CQSZACIVSA-N 1 2 273.315 2.317 20 30 CEEDLO N#CCCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340472761 263163829 /nfs/dbraw/zinc/16/38/29/263163829.db2.gz BBHPUGWFRIBITA-CQSZACIVSA-N 1 2 273.315 2.317 20 30 CEEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000436186006 269931152 /nfs/dbraw/zinc/93/11/52/269931152.db2.gz HUAPCARUVDFUIA-ZDUSSCGKSA-N 1 2 297.314 2.148 20 30 CEEDLO C=C(C)CN(CC)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045426832 263301250 /nfs/dbraw/zinc/30/12/50/263301250.db2.gz BUPCIUOLJSUWKW-UHFFFAOYSA-N 1 2 286.379 2.484 20 30 CEEDLO C=CCCCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341914705 263366038 /nfs/dbraw/zinc/36/60/38/263366038.db2.gz CQGBZLCSBNQAAE-CYBMUJFWSA-N 1 2 270.442 2.238 20 30 CEEDLO COCC1(C#N)CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000341969914 263372910 /nfs/dbraw/zinc/37/29/10/263372910.db2.gz CKRGCALCBRMDHH-UHFFFAOYSA-N 1 2 276.384 2.216 20 30 CEEDLO Cc1cc(NC(=O)NCCO)c[nH+]c1N1CCCC[C@H]1C ZINC000330780483 264035836 /nfs/dbraw/zinc/03/58/36/264035836.db2.gz NTDKLJNWZYMXAI-GFCCVEGCSA-N 1 2 292.383 2.087 20 30 CEEDLO CC(C)[C@@H](C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000330836183 264050998 /nfs/dbraw/zinc/05/09/98/264050998.db2.gz WVYDAXGQDUKFHR-NWDGAFQWSA-N 1 2 252.362 2.067 20 30 CEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1snnc1C(C)(C)C ZINC000331196122 264158819 /nfs/dbraw/zinc/15/88/19/264158819.db2.gz LQFUHUKIRVBKGK-VIFPVBQESA-N 1 2 293.396 2.425 20 30 CEEDLO CNc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000331240364 264176211 /nfs/dbraw/zinc/17/62/11/264176211.db2.gz LHUCJJSCZUMOTE-LLVKDONJSA-N 1 2 297.786 2.017 20 30 CEEDLO CNc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000331240364 264176212 /nfs/dbraw/zinc/17/62/12/264176212.db2.gz LHUCJJSCZUMOTE-LLVKDONJSA-N 1 2 297.786 2.017 20 30 CEEDLO CNc1ccc(Cl)c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000331240366 264176401 /nfs/dbraw/zinc/17/64/01/264176401.db2.gz LHUCJJSCZUMOTE-NSHDSACASA-N 1 2 297.786 2.017 20 30 CEEDLO CNc1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000331240366 264176403 /nfs/dbraw/zinc/17/64/03/264176403.db2.gz LHUCJJSCZUMOTE-NSHDSACASA-N 1 2 297.786 2.017 20 30 CEEDLO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1F ZINC000331313674 264187097 /nfs/dbraw/zinc/18/70/97/264187097.db2.gz CKTOPTGKAWCEOP-BXUZGUMPSA-N 1 2 275.327 2.355 20 30 CEEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000331353381 264207235 /nfs/dbraw/zinc/20/72/35/264207235.db2.gz OYIQKWBLUMQGNO-NOZJJQNGSA-N 1 2 279.290 2.185 20 30 CEEDLO C=CCC[C@H]([NH2+][C@H]1CC[C@@H]1SC)C(=O)OCC ZINC000425367870 264213207 /nfs/dbraw/zinc/21/32/07/264213207.db2.gz IWTUEHPTWILAFC-SRVKXCTJSA-N 1 2 257.399 2.368 20 30 CEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000287274113 264617067 /nfs/dbraw/zinc/61/70/67/264617067.db2.gz LKMJEBQGKADDJY-AWEZNQCLSA-N 1 2 267.332 2.083 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)C ZINC000368538798 267182019 /nfs/dbraw/zinc/18/20/19/267182019.db2.gz MTXQGLLOLDVJED-OLZOCXBDSA-N 1 2 287.407 2.412 20 30 CEEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)C ZINC000368538798 267182021 /nfs/dbraw/zinc/18/20/21/267182021.db2.gz MTXQGLLOLDVJED-OLZOCXBDSA-N 1 2 287.407 2.412 20 30 CEEDLO CC[C@@H](C)C[NH2+][C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000421199348 267184977 /nfs/dbraw/zinc/18/49/77/267184977.db2.gz KMHPJDZRKJYDAQ-BXUZGUMPSA-N 1 2 260.337 2.408 20 30 CEEDLO C=C(Cl)CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000369490884 267246194 /nfs/dbraw/zinc/24/61/94/267246194.db2.gz DRNPGCRDDBYOFP-LBPRGKRZSA-N 1 2 279.771 2.167 20 30 CEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1sccc1C#N ZINC000456368862 267257444 /nfs/dbraw/zinc/25/74/44/267257444.db2.gz CWWJKKYMXPENOD-SECBINFHSA-N 1 2 274.349 2.327 20 30 CEEDLO C[C@H](C#N)NC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000369849555 267272239 /nfs/dbraw/zinc/27/22/39/267272239.db2.gz CJHJTUKCTNJGSA-TZMCWYRMSA-N 1 2 294.358 2.141 20 30 CEEDLO C=CCSCCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000369953522 267279347 /nfs/dbraw/zinc/27/93/47/267279347.db2.gz ZAQNGMOJTGEGAB-OAHLLOKOSA-N 1 2 290.432 2.296 20 30 CEEDLO C=CCSCCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000369953522 267279348 /nfs/dbraw/zinc/27/93/48/267279348.db2.gz ZAQNGMOJTGEGAB-OAHLLOKOSA-N 1 2 290.432 2.296 20 30 CEEDLO 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C#CCCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180338455 329220037 /nfs/dbraw/zinc/22/00/37/329220037.db2.gz BROZHUPDWHVNPE-CQSZACIVSA-N 1 2 259.353 2.068 20 30 CEEDLO C=C(C)C[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000181248147 329227358 /nfs/dbraw/zinc/22/73/58/329227358.db2.gz HSJPWDCDNARHNX-LBPRGKRZSA-N 1 2 292.379 2.497 20 30 CEEDLO C=C(C)C[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000181250353 329227767 /nfs/dbraw/zinc/22/77/67/329227767.db2.gz ZDVTZBKIEXPPTK-UHFFFAOYSA-N 1 2 292.379 2.499 20 30 CEEDLO C=C(C)C[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000181250353 329227769 /nfs/dbraw/zinc/22/77/69/329227769.db2.gz ZDVTZBKIEXPPTK-UHFFFAOYSA-N 1 2 292.379 2.499 20 30 CEEDLO COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(F)c1 ZINC000459461201 329256268 /nfs/dbraw/zinc/25/62/68/329256268.db2.gz JAPGPQCMXHKVCJ-FZMZJTMJSA-N 1 2 276.311 2.394 20 30 CEEDLO Cc1ccc(CS(=O)(=O)CCCCC#N)c(C)[nH+]1 ZINC000185249404 329269605 /nfs/dbraw/zinc/26/96/05/329269605.db2.gz 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C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccco2)C1 ZINC000968456181 613377514 /nfs/dbraw/zinc/37/75/14/613377514.db2.gz XCLOTBSWTBLNLX-FZMZJTMJSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccco2)C1 ZINC000968456181 613377515 /nfs/dbraw/zinc/37/75/15/613377515.db2.gz XCLOTBSWTBLNLX-FZMZJTMJSA-N 1 2 296.798 2.401 20 30 CEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC23CC3)C(C)(C)C1 ZINC000975074624 613380939 /nfs/dbraw/zinc/38/09/39/613380939.db2.gz KDOUXCKBCHIZBM-RYUDHWBXSA-N 1 2 282.815 2.366 20 30 CEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC23CC3)C(C)(C)C1 ZINC000975074624 613380940 /nfs/dbraw/zinc/38/09/40/613380940.db2.gz KDOUXCKBCHIZBM-RYUDHWBXSA-N 1 2 282.815 2.366 20 30 CEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC000950060807 613655515 /nfs/dbraw/zinc/65/55/15/613655515.db2.gz YWYNTBLUQPCSEH-QWHCGFSZSA-N 1 2 268.376 2.233 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)c2c(C)noc2C)CC1 ZINC000948927650 613708420 /nfs/dbraw/zinc/70/84/20/613708420.db2.gz CXXHQTZMDCZRPJ-GFCCVEGCSA-N 1 2 291.395 2.115 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC000950411043 613709983 /nfs/dbraw/zinc/70/99/83/613709983.db2.gz FFZCZFFIDWLNLF-OAHLLOKOSA-N 1 2 294.439 2.445 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000950444707 613710673 /nfs/dbraw/zinc/71/06/73/613710673.db2.gz QKAWQYZINYENLR-GFCCVEGCSA-N 1 2 272.339 2.142 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000957937021 613714610 /nfs/dbraw/zinc/71/46/10/613714610.db2.gz KQXNDPIULXVCHC-UHFFFAOYSA-N 1 2 287.338 2.251 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 ZINC000949958574 613714881 /nfs/dbraw/zinc/71/48/81/613714881.db2.gz QUUAULZWTNLCQW-UHFFFAOYSA-N 1 2 299.374 2.120 20 30 CEEDLO C=CC[NH+]1CCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000949540631 613715248 /nfs/dbraw/zinc/71/52/48/613715248.db2.gz WLSOHRGAUKQKNH-UHFFFAOYSA-N 1 2 262.328 2.078 20 30 CEEDLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C 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C=C(Cl)C[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1[C@H]1CCCO1 ZINC000933181075 623527996 /nfs/dbraw/zinc/52/79/96/623527996.db2.gz WQPAHTMIXAWJCW-YNEHKIRRSA-N 1 2 287.787 2.172 20 30 CEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1[C@H]1CCCO1 ZINC000933181075 623527998 /nfs/dbraw/zinc/52/79/98/623527998.db2.gz WQPAHTMIXAWJCW-YNEHKIRRSA-N 1 2 287.787 2.172 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3csc(C#N)c3)[C@@H]2C1 ZINC000892239323 624444623 /nfs/dbraw/zinc/44/46/23/624444623.db2.gz JBQUHVOWUMAIFI-YUELXQCFSA-N 1 2 292.404 2.388 20 30 CEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3csc(C#N)c3)[C@@H]2C1 ZINC000892239323 624444625 /nfs/dbraw/zinc/44/46/25/624444625.db2.gz JBQUHVOWUMAIFI-YUELXQCFSA-N 1 2 292.404 2.388 20 30 CEEDLO C#C[C@H](CCC)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000820640330 634484862 /nfs/dbraw/zinc/48/48/62/634484862.db2.gz NYHLQFPNRVCCPO-QWHCGFSZSA-N 1 2 274.368 2.101 20 30 CEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)C1CC1 ZINC000820652468 634490163 /nfs/dbraw/zinc/49/01/63/634490163.db2.gz 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/nfs/dbraw/zinc/62/92/74/628629274.db2.gz ZWDLBMVUKDILNG-ZDUSSCGKSA-N 1 2 290.363 2.361 20 30 CEEDLO COC(=O)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000093287089 628629276 /nfs/dbraw/zinc/62/92/76/628629276.db2.gz ZWDLBMVUKDILNG-ZDUSSCGKSA-N 1 2 290.363 2.361 20 30 CEEDLO CCCNc1cc(N2CCC[C@@H](CC#N)C2)nc[nH+]1 ZINC000258748366 628764247 /nfs/dbraw/zinc/76/42/47/628764247.db2.gz OKRNHBBLBSPKFG-LBPRGKRZSA-N 1 2 259.357 2.429 20 30 CEEDLO CCCNc1cc(N2CCC[C@@H](CC#N)C2)[nH+]cn1 ZINC000258748366 628764253 /nfs/dbraw/zinc/76/42/53/628764253.db2.gz OKRNHBBLBSPKFG-LBPRGKRZSA-N 1 2 259.357 2.429 20 30 CEEDLO C[N@H+](Cc1ncc(Br)cn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000931862916 628867525 /nfs/dbraw/zinc/86/75/25/628867525.db2.gz DODBCACFAGUJMY-MWLCHTKSSA-N 1 2 295.184 2.363 20 30 CEEDLO C[N@@H+](Cc1ncc(Br)cn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000931862916 628867528 /nfs/dbraw/zinc/86/75/28/628867528.db2.gz DODBCACFAGUJMY-MWLCHTKSSA-N 1 2 295.184 2.363 20 30 CEEDLO C=CC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCCC1 ZINC000821385427 634705058 /nfs/dbraw/zinc/70/50/58/634705058.db2.gz LKMVSAKAZGAJOH-ZDUSSCGKSA-N 1 2 273.380 2.451 20 30 CEEDLO C=CCn1cc(CNc2cc(C)[nH+]c(C3CCC3)n2)nn1 ZINC000894270646 629287702 /nfs/dbraw/zinc/28/77/02/629287702.db2.gz GQPNRTKZOYTWRO-UHFFFAOYSA-N 1 2 284.367 2.442 20 30 CEEDLO CC[NH+](CC)[C@H](C)C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000794835777 629331779 /nfs/dbraw/zinc/33/17/79/629331779.db2.gz YGABGINMZQDCGK-HGLKBHAMSA-N 1 2 279.340 2.450 20 30 CEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000182626949 629870430 /nfs/dbraw/zinc/87/04/30/629870430.db2.gz KLSZLYYAEDQXHE-OAHLLOKOSA-N 1 2 266.385 2.263 20 30 CEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000182626949 629870439 /nfs/dbraw/zinc/87/04/39/629870439.db2.gz KLSZLYYAEDQXHE-OAHLLOKOSA-N 1 2 266.385 2.263 20 30 CEEDLO Cc1[nH]c([C@H]2CCCN2c2cc(C#N)nc(C)n2)[nH+]c1C ZINC000895194116 630024013 /nfs/dbraw/zinc/02/40/13/630024013.db2.gz BMASVYFCCCBPNB-CYBMUJFWSA-N 1 2 282.351 2.338 20 30 CEEDLO Cc1[nH]c([C@H]2CCCN2c2cc(C#N)cnn2)[nH+]c1C ZINC000895198058 630026662 /nfs/dbraw/zinc/02/66/62/630026662.db2.gz XYBYDZXPKZRPHE-GFCCVEGCSA-N 1 2 268.324 2.030 20 30 CEEDLO CNc1cc(CNc2cc(C#N)nc(C3CC3)n2)cc[nH+]1 ZINC000895256028 630063012 /nfs/dbraw/zinc/06/30/12/630063012.db2.gz YCUIKMJJEOHYSR-UHFFFAOYSA-N 1 2 280.335 2.274 20 30 CEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895450612 630197311 /nfs/dbraw/zinc/19/73/11/630197311.db2.gz LCQVQESLAORWQV-CQSZACIVSA-N 1 2 257.293 2.269 20 30 CEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895450612 630197313 /nfs/dbraw/zinc/19/73/13/630197313.db2.gz LCQVQESLAORWQV-CQSZACIVSA-N 1 2 257.293 2.269 20 30 CEEDLO C=C(C)C[C@@H]([NH2+][C@H]1CCCSC1)C(=O)OCC ZINC000895598097 630271885 /nfs/dbraw/zinc/27/18/85/630271885.db2.gz MWLYCZLQWMVLCQ-NWDGAFQWSA-N 1 2 257.399 2.370 20 30 CEEDLO C#CC[N@@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)C1CSC1 ZINC000895814658 630359733 /nfs/dbraw/zinc/35/97/33/630359733.db2.gz VQSWZQFBSBNFMJ-UHFFFAOYSA-N 1 2 292.404 2.050 20 30 CEEDLO C#CC[N@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)C1CSC1 ZINC000895814658 630359740 /nfs/dbraw/zinc/35/97/40/630359740.db2.gz VQSWZQFBSBNFMJ-UHFFFAOYSA-N 1 2 292.404 2.050 20 30 CEEDLO Cc1cnc(Cl)c(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000895968604 630421964 /nfs/dbraw/zinc/42/19/64/630421964.db2.gz DWJWBIAPDIDIKZ-CHWSQXEVSA-N 1 2 292.814 2.462 20 30 CEEDLO Cc1ccc2[nH+]cc(CN3CCC[C@H](C#N)C3)n2c1 ZINC000896504801 630584853 /nfs/dbraw/zinc/58/48/53/630584853.db2.gz UQAGZRXHWLOYSG-CYBMUJFWSA-N 1 2 254.337 2.378 20 30 CEEDLO Cc1[nH]c(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)[nH+]c1C ZINC000896908158 630788520 /nfs/dbraw/zinc/78/85/20/630788520.db2.gz XEDZHKIMXJVUQR-NSHDSACASA-N 1 2 296.374 2.393 20 30 CEEDLO C=CCCCN(CC)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000897399244 631305731 /nfs/dbraw/zinc/30/57/31/631305731.db2.gz FITAENPHNTVWHA-LBPRGKRZSA-N 1 2 264.373 2.062 20 30 CEEDLO C=CCCCN(CC)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000897399244 631305736 /nfs/dbraw/zinc/30/57/36/631305736.db2.gz FITAENPHNTVWHA-LBPRGKRZSA-N 1 2 264.373 2.062 20 30 CEEDLO Cc1ccccc1[C@H]1C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000801923204 631356160 /nfs/dbraw/zinc/35/61/60/631356160.db2.gz BDALBKDZYKBGTD-GDBMZVCRSA-N 1 2 274.364 2.297 20 30 CEEDLO Cc1ccccc1[C@H]1C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000801923204 631356169 /nfs/dbraw/zinc/35/61/69/631356169.db2.gz BDALBKDZYKBGTD-GDBMZVCRSA-N 1 2 274.364 2.297 20 30 CEEDLO C[C@H](C#N)OCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000801929362 631359030 /nfs/dbraw/zinc/35/90/30/631359030.db2.gz SSNFALDABMEVQT-SNVBAGLBSA-N 1 2 266.291 2.252 20 30 CEEDLO C[C@H](C#N)OCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000801929362 631359039 /nfs/dbraw/zinc/35/90/39/631359039.db2.gz SSNFALDABMEVQT-SNVBAGLBSA-N 1 2 266.291 2.252 20 30 CEEDLO C=CC[N@@H+](C)CN1Cc2c(cccc2Br)C1=O ZINC000802739775 631451025 /nfs/dbraw/zinc/45/10/25/631451025.db2.gz YEGBFUJFWJMUIA-UHFFFAOYSA-N 1 2 295.180 2.480 20 30 CEEDLO C=CC[N@H+](C)CN1Cc2c(cccc2Br)C1=O ZINC000802739775 631451029 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